Persist:MassBank/IonFrequency

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{| border="0" cellpadding="0" cellspacing="0"  
 
{| border="0" cellpadding="0" cellspacing="0"  
 
|-
 
|-
−
|width="10%" style="text-align:center"|[[Index:MassBank|General Index]]
+
|width="10%" style="text-align:center"|[[Index:MassBank|General Index<br /><small>(総索引)</small>]]
−
|width="10%" style="text-align:center"|[[Persist:MassBank/IonFrequency|Ion Frequency Table]]
+
|width="10%" style="text-align:center"|[[Index:MassBank/Molecules|All Molecules<br /><small>(分子リスト)</small>]]
−
|width="10%" style="text-align:center"|[[Persist:MassBank/PPFrequency|Precursor-Product Table]]
+
|width="10%" style="text-align:center"|[[Persist:MassBank/IonFrequency|Ion Frequency Table<br /><small>(イオン統計)</small>]]
−
|width="10%" style="text-align:center"|[[Doc:MassBank/PPR|How To<br />ページの書き方]]
+
|width="10%" style="text-align:center"|[[Persist:MassBank/PPFrequency|Prec.-Product Table<br /><small>(前駆-生成イオン統計)</small>]]
 +
|width="10%" style="text-align:center"|[[Persist:MassBank/NeutralLossStat|Neutral Loss Table<br /><small>(中性脱離分子統計)</small>]]
 +
|width="10%" style="text-align:center"|[[Doc:MassBank/PPR|How To<br /><small>ページの書き方</small>]]
 
|}
 
|}
  
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|-
 
|-
  
−
| C14H26N3O5 || 316 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C14H26N3O5 || 316 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C11H14NO2 || 192 || 2 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;  
+
| C11H14NO2 || 192 || 2 || [[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;  
 
|-
 
|-
  
−
| C2H5N4 || 85 || 3 || [[MassBank:KOX00036|3-Amino-1,2,4-triazole]]&nbsp;[[MassBank:KOX00672|Buformin]]&nbsp;[[MassBank:KOX00781|Metformin]]&nbsp;  
+
| C2H5N4 || 85 || 3 || [[MassBank:KOX00036|A045]]&nbsp;[[MassBank:KOX00672|B010]]&nbsp;[[MassBank:KOX00781|M032]]&nbsp;  
 
|-
 
|-
  
−
| C7H14NO2 || 144 || 4 || [[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00652|Arginine ethyl ester]]&nbsp;[[MassBank:KOX00659|O-Acetylcarnitine]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C7H14NO2 || 144 || 4 || [[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00652|A103]]&nbsp;[[MassBank:KOX00659|A143]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C2H8O9P || 207 || 1 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;  
+
| C2H8O9P || 207 || 1 || [[MassBank:KOX00185|D017]]&nbsp;  
 
|-
 
|-
  
−
| C17H12O || 232 || 1 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;  
+
| C17H12O || 232 || 1 || [[MassBank:KOX00658|A137]]&nbsp;  
 
|-
 
|-
  
−
| C12H14N4O || 230 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C12H14N4O || 230 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| CH6N3O || 76 || 2 || [[MassBank:KOX00167|Canavanine]]&nbsp;[[MassBank:KOX00864|Semicarbazide]]&nbsp;  
+
| CH6N3O || 76 || 2 || [[MassBank:KOX00167|C094]]&nbsp;[[MassBank:KOX00864|S034]]&nbsp;  
 
|-
 
|-
  
−
| C11H12N3OS || 234 || 1 || [[MassBank:KOX00902|Albendazole]]&nbsp;  
+
| C11H12N3OS || 234 || 1 || [[MassBank:KOX00902|A082]]&nbsp;  
 
|-
 
|-
  
−
| C4H7N || 69 || 2 || [[MassBank:KOX00508|Pipecolate]]&nbsp;[[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C4H7N || 69 || 2 || [[MassBank:KOX00508|P048]]&nbsp;[[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C5H7ClN5O || 188 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C5H7ClN5O || 188 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C2H5S || 61 || 8 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;[[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00181|Cimetidine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;[[MassBank:KOX00661|Amifostine]]&nbsp;[[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;[[MassBank:KOX00885|Trimethylsulfonium]]&nbsp;  
+
| C2H5S || 61 || 8 || [[MassBank:KOX00048|A059]]&nbsp;[[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00181|C208]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;[[MassBank:KOX00661|A170]]&nbsp;[[MassBank:KOX00707|D067]]&nbsp;[[MassBank:KOX00885|T058]]&nbsp;  
 
|-
 
|-
  
−
| C13H14NO2 || 216 || 1 || [[MassBank:KOX00433|Melatonin]]&nbsp;  
+
| C13H14NO2 || 216 || 1 || [[MassBank:KOX00433|M053]]&nbsp;  
 
|-
 
|-
  
−
| C9H16NO4 || 202 || 1 || [[MassBank:KOX00499|Pantothenate]]&nbsp;  
+
| C9H16NO4 || 202 || 1 || [[MassBank:KOX00499|P032]]&nbsp;  
 
|-
 
|-
  
−
| C7H10N3 || 136 || 1 || [[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;  
+
| C7H10N3 || 136 || 1 || [[MassBank:KOX00062|A093]]&nbsp;  
 
|-
 
|-
  
−
| C9H14N3O4 || 228 || 2 || [[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00197|2'-Deoxycytidine]]&nbsp;  
+
| C9H14N3O4 || 228 || 2 || [[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00197|D055]]&nbsp;  
 
|-
 
|-
  
−
| C8H9O2 || 137 || 5 || [[MassBank:KOX00189|Dopamine]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;  
+
| C8H9O2 || 137 || 5 || [[MassBank:KOX00189|D046]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;  
 
|-
 
|-
  
−
| C9H15N4O2S || 243 || 1 || [[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C9H15N4O2S || 243 || 1 || [[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C9H17N4O || 197 || 1 || [[MassBank:KOX00086|Anserine]]&nbsp;  
+
| C9H17N4O || 197 || 1 || [[MassBank:KOX00086|A140]]&nbsp;  
 
|-
 
|-
  
−
| C5H5N4 || 121 || 6 || [[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00824|Phenazopyridine]]&nbsp;[[MassBank:KOX00829|Purine]]&nbsp;[[MassBank:KOX00841|Purine riboside]]&nbsp;  
+
| C5H5N4 || 121 || 6 || [[MassBank:KOX00245|F014]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00824|P036]]&nbsp;[[MassBank:KOX00829|P049]]&nbsp;[[MassBank:KOX00841|P081]]&nbsp;  
 
|-
 
|-
  
−
| C2H6NOS || 92 || 2 || [[MassBank:KOX00176|Cysteine S-sulfate]]&nbsp;[[MassBank:KOX00319|Hypotaurine]]&nbsp;  
+
| C2H6NOS || 92 || 2 || [[MassBank:KOX00176|C127]]&nbsp;[[MassBank:KOX00319|H017]]&nbsp;  
 
|-
 
|-
  
−
| C10H19N2O3 || 215 || 1 || [[MassBank:KOX00709|Desthiobiotin]]&nbsp;  
+
| C10H19N2O3 || 215 || 1 || [[MassBank:KOX00709|D075]]&nbsp;  
 
|-
 
|-
  
−
| C8H14NO2 || 156 || 3 || [[MassBank:KOX00090|N-Acetylleucine]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00865|Scopolamine]]&nbsp;  
+
| C8H14NO2 || 156 || 3 || [[MassBank:KOX00090|A145]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00865|S040]]&nbsp;  
 
|-
 
|-
  
−
| C11H16NO7 || 274 || 1 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;  
+
| C11H16NO7 || 274 || 1 || [[MassBank:KOX00016|A018]]&nbsp;  
 
|-
 
|-
  
−
| C5H12NO2 || 118 || 6 || [[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00100|2-Amino-2-methylbutanoate]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00464|Norvaline]]&nbsp;[[MassBank:KOX00623|Val]]&nbsp;[[MassBank:KOX00681|Betaine]]&nbsp;  
+
| C5H12NO2 || 118 || 6 || [[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00100|A189]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00464|N009]]&nbsp;[[MassBank:KOX00623|V001]]&nbsp;[[MassBank:KOX00681|B047]]&nbsp;  
 
|-
 
|-
  
−
| C11H10 || 142 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C11H10 || 142 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C11H9N2O || 185 || 1 || [[MassBank:KOX00325|Harmaline]]&nbsp;  
+
| C11H9N2O || 185 || 1 || [[MassBank:KOX00325|H027]]&nbsp;  
 
|-
 
|-
  
−
| C8H13O3 || 157 || 1 || [[MassBank:KOX00558|Suberate]]&nbsp;  
+
| C8H13O3 || 157 || 1 || [[MassBank:KOX00558|S013]]&nbsp;  
 
|-
 
|-
  
−
| C11H14NO7 || 272 || 1 || [[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C11H14NO7 || 272 || 1 || [[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C6H6N4 || 134 || 1 || [[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;  
+
| C6H6N4 || 134 || 1 || [[MassBank:KOX00451|M104]]&nbsp;  
 
|-
 
|-
  
−
| C5H13NO3P || 166 || 3 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;[[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;  
+
| C5H13NO3P || 166 || 3 || [[MassBank:KOX00539|P122]]&nbsp;[[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;  
 
|-
 
|-
  
−
| C2H3N2O || 71 || 1 || [[MassBank:KOX00145|Cytosine]]&nbsp;  
+
| C2H3N2O || 71 || 1 || [[MassBank:KOX00145|C033]]&nbsp;  
 
|-
 
|-
  
−
| C26H46NO8S2 || 564 || 1 || [[MassBank:KOX00613|Taurolithocholate]]&nbsp;  
+
| C26H46NO8S2 || 564 || 1 || [[MassBank:KOX00613|T072]]&nbsp;  
 
|-
 
|-
  
−
| C18H23NOCl || 269 || 1 || [[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C18H23NOCl || 269 || 1 || [[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C13H10NO5S || 292 || 1 || [[MassBank:KOX00133|Bumetanide]]&nbsp;  
+
| C13H10NO5S || 292 || 1 || [[MassBank:KOX00133|B093]]&nbsp;  
 
|-
 
|-
  
−
| C7H3Cl2O || 173 || 1 || [[MassBank:KOX00889|Tilt (TM)]]&nbsp;  
+
| C7H3Cl2O || 173 || 1 || [[MassBank:KOX00889|T108]]&nbsp;  
 
|-
 
|-
  
−
| C7H5N2O || 133 || 1 || [[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;  
+
| C7H5N2O || 133 || 1 || [[MassBank:KOX00221|D166]]&nbsp;  
 
|-
 
|-
  
−
| C8H9N2O2 || 165 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C8H9N2O2 || 165 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C10H17N4O3 || 241 || 2 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;  
+
| C10H17N4O3 || 241 || 2 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;  
 
|-
 
|-
  
−
| C16H23N3O4P || 352 || 1 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;  
+
| C16H23N3O4P || 352 || 1 || [[MassBank:KOX00539|P122]]&nbsp;  
 
|-
 
|-
  
−
| C4H4N4 || 108 || 3 || [[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C4H4N4 || 108 || 3 || [[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C6H7N || 93 || 44 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00073|Acetanilide]]&nbsp;[[MassBank:KOX00107|4-Aminophenylsulfone]]&nbsp;[[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;[[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00467|p-Nitroaniline]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00704|Diphenylamine]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00789|N-Methylaniline]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00823|1,3-Phenylenediamine]]&nbsp;[[MassBank:KOX00824|Phenazopyridine]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00854|Procaine]]&nbsp;[[MassBank:KOX00863|Sulfanilamide]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00877|Thiabendazole]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C6H7N || 93 || 44 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00073|A130]]&nbsp;[[MassBank:KOX00107|A220]]&nbsp;[[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00221|D166]]&nbsp;[[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00467|N012]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00704|D044]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00789|M066]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00804|M142]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00823|P035]]&nbsp;[[MassBank:KOX00824|P036]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00854|P190]]&nbsp;[[MassBank:KOX00863|S016]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00877|T028]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C14H13N2S || 241 || 1 || [[MassBank:KOX00785|Methylene blue]]&nbsp;  
+
| C14H13N2S || 241 || 1 || [[MassBank:KOX00785|M047]]&nbsp;  
 
|-
 
|-
  
−
| C11H20NO9 || 310 || 1 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;  
+
| C11H20NO9 || 310 || 1 || [[MassBank:KOX00016|A018]]&nbsp;  
 
|-
 
|-
  
−
| C4H9NO || 87 || 1 || [[MassBank:KOX00680|Betaine aldehyde]]&nbsp;  
+
| C4H9NO || 87 || 1 || [[MassBank:KOX00680|B044]]&nbsp;  
 
|-
 
|-
  
−
| C16H18NO4 || 288 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C16H18NO4 || 288 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C6H15NO8P || 260 || 2 || [[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;  
+
| C6H15NO8P || 260 || 2 || [[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;  
 
|-
 
|-
  
−
| C5H7N2O2 || 127 || 3 || [[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00590|Thymine]]&nbsp;[[MassBank:KOX00756|Imidazole-4-acetate]]&nbsp;  
+
| C5H7N2O2 || 127 || 3 || [[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00590|T015]]&nbsp;[[MassBank:KOX00756|I014]]&nbsp;  
 
|-
 
|-
  
−
| C4H5S || 85 || 1 || [[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;  
+
| C4H5S || 85 || 1 || [[MassBank:KOX00775|M013]]&nbsp;  
 
|-
 
|-
  
−
| C5H11N3O3P || 192 || 1 || [[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| C5H11N3O3P || 192 || 1 || [[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C14H10Cl2NO || 278 || 1 || [[MassBank:KOX00213|Diclofenac]]&nbsp;  
+
| C14H10Cl2NO || 278 || 1 || [[MassBank:KOX00213|D128]]&nbsp;  
 
|-
 
|-
  
−
| C19H22N3O2 || 324 || 1 || [[MassBank:KOX00858|Pentamidine]]&nbsp;  
+
| C19H22N3O2 || 324 || 1 || [[MassBank:KOX00858|P209]]&nbsp;  
 
|-
 
|-
  
−
| CH4N || 30 || 2 || [[MassBank:KOX00262|Gly]]&nbsp;[[MassBank:KOX00714|Dimethylamine]]&nbsp;  
+
| CH4N || 30 || 2 || [[MassBank:KOX00262|G011]]&nbsp;[[MassBank:KOX00714|D103]]&nbsp;  
 
|-
 
|-
  
−
| C6H5N2O || 121 || 3 || [[MassBank:KOX00388|Isonicotinate hydrazide]]&nbsp;[[MassBank:KOX00520|Piroxicam]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;  
+
| C6H5N2O || 121 || 3 || [[MassBank:KOX00388|I066]]&nbsp;[[MassBank:KOX00520|P068]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;  
 
|-
 
|-
  
−
| C13H13Cl2N2 || 267 || 1 || [[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C13H13Cl2N2 || 267 || 1 || [[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C12H21O10 || 325 || 1 || [[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;  
+
| C12H21O10 || 325 || 1 || [[MassBank:KOX00611|T065]]&nbsp;  
 
|-
 
|-
  
−
| C9H7Cl2N2 || 213 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C9H7Cl2N2 || 213 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C16H34N || 240 || 1 || [[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;  
+
| C16H34N || 240 || 1 || [[MassBank:KOX00710|D078]]&nbsp;  
 
|-
 
|-
  
−
| C14H16NO3 || 246 || 1 || [[MassBank:KOX00663|Ampicillin]]&nbsp;  
+
| C14H16NO3 || 246 || 1 || [[MassBank:KOX00663|A197]]&nbsp;  
 
|-
 
|-
  
−
| C5H11O || 87 || 1 || [[MassBank:KOX00478|Octopine]]&nbsp;  
+
| C5H11O || 87 || 1 || [[MassBank:KOX00478|O009]]&nbsp;  
 
|-
 
|-
  
−
| C11H13N2O2 || 205 || 1 || [[MassBank:KOX00582|Trp]]&nbsp;  
+
| C11H13N2O2 || 205 || 1 || [[MassBank:KOX00582|T003]]&nbsp;  
 
|-
 
|-
  
−
| C7H12N3O3 || 186 || 1 || [[MassBank:KOX00504|Piperacillin]]&nbsp;  
+
| C7H12N3O3 || 186 || 1 || [[MassBank:KOX00504|P039]]&nbsp;  
 
|-
 
|-
  
−
| C6H7N2O2 || 139 || 2 || [[MassBank:KOX00467|p-Nitroaniline]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;  
+
| C6H7N2O2 || 139 || 2 || [[MassBank:KOX00467|N012]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;  
 
|-
 
|-
  
−
| C8H17NO9P || 302 || 1 || [[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;  
+
| C8H17NO9P || 302 || 1 || [[MassBank:KOX00067|A122]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N3S || 128 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C4H6N3S || 128 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C12H12N2O || 200 || 1 || [[MassBank:KOX00325|Harmaline]]&nbsp;  
+
| C12H12N2O || 200 || 1 || [[MassBank:KOX00325|H027]]&nbsp;  
 
|-
 
|-
  
−
| C5H4NO2 || 110 || 2 || [[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00590|Thymine]]&nbsp;  
+
| C5H4NO2 || 110 || 2 || [[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00590|T015]]&nbsp;  
 
|-
 
|-
  
−
| C12H11N2 || 183 || 4 || [[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;[[MassBank:KOX00328|Harman]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;  
+
| C12H11N2 || 183 || 4 || [[MassBank:KOX00221|D166]]&nbsp;[[MassBank:KOX00328|H029]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;  
 
|-
 
|-
  
−
| C13H9N2O || 209 || 1 || [[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;  
+
| C13H9N2O || 209 || 1 || [[MassBank:KOX00221|D166]]&nbsp;  
 
|-
 
|-
  
−
| C16H23O3 || 263 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C16H23O3 || 263 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C7H6 || 90 || 4 || [[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C7H6 || 90 || 4 || [[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C7H14NO3 || 160 || 1 || [[MassBank:KOX00682|Betonicine]]&nbsp;  
+
| C7H14NO3 || 160 || 1 || [[MassBank:KOX00682|B090]]&nbsp;  
 
|-
 
|-
  
−
| C8H12N5O3 || 226 || 1 || [[MassBank:KOX00054|Acyclovir]]&nbsp;  
+
| C8H12N5O3 || 226 || 1 || [[MassBank:KOX00054|A071]]&nbsp;  
 
|-
 
|-
  
−
| C7H8N2 || 120 || 1 || [[MassBank:KOX00831|Pralidoxime]]&nbsp;  
+
| C7H8N2 || 120 || 1 || [[MassBank:KOX00831|P056]]&nbsp;  
 
|-
 
|-
  
−
| C7H7N3O2 || 165 || 1 || [[MassBank:KOX00684|Caffeine]]&nbsp;  
+
| C7H7N3O2 || 165 || 1 || [[MassBank:KOX00684|C028]]&nbsp;  
 
|-
 
|-
  
−
| C4H9O2 || 89 || 7 || [[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00712|Dimethyl malate]]&nbsp;[[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;  
+
| C4H9O2 || 89 || 7 || [[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00712|D083]]&nbsp;[[MassBank:KOX00730|F013]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;  
 
|-
 
|-
  
−
| C8H12N3O3 || 198 || 3 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C8H12N3O3 || 198 || 3 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C11H8NO || 170 || 4 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;[[MassBank:KOX00539|Phosphoramidon]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;  
+
| C11H8NO || 170 || 4 || [[MassBank:KOX00157|C057]]&nbsp;[[MassBank:KOX00539|P122]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;  
 
|-
 
|-
  
−
| C26H46NO7S || 516 || 1 || [[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C26H46NO7S || 516 || 1 || [[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| C11H16N5O3S || 298 || 2 || [[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;[[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;  
+
| C11H16N5O3S || 298 || 2 || [[MassBank:KOX00636|A020]]&nbsp;[[MassBank:KOX00707|D067]]&nbsp;  
 
|-
 
|-
  
−
| C7H6NO4 || 168 || 1 || [[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;  
+
| C7H6NO4 || 168 || 1 || [[MassBank:KOX00531|P094]]&nbsp;  
 
|-
 
|-
  
−
| C12H21N4O || 237 || 1 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;  
+
| C12H21N4O || 237 || 1 || [[MassBank:KOX00396|L006]]&nbsp;  
 
|-
 
|-
  
−
| C4H4NO2 || 98 || 3 || [[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00724|N-Ethylmaleimide]]&nbsp;[[MassBank:KOX00801|Muscimol]]&nbsp;  
+
| C4H4NO2 || 98 || 3 || [[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00724|E008]]&nbsp;[[MassBank:KOX00801|M115]]&nbsp;  
 
|-
 
|-
  
−
| C17H16NO2 || 266 || 1 || [[MassBank:KOX00133|Bumetanide]]&nbsp;  
+
| C17H16NO2 || 266 || 1 || [[MassBank:KOX00133|B093]]&nbsp;  
 
|-
 
|-
  
−
| C5H11N2O3 || 147 || 2 || [[MassBank:KOX00268|L-Gln]]&nbsp;[[MassBank:KOX00733|D-Gln]]&nbsp;  
+
| C5H11N2O3 || 147 || 2 || [[MassBank:KOX00268|G018]]&nbsp;[[MassBank:KOX00733|G006]]&nbsp;  
 
|-
 
|-
  
−
| C6H6N5O2 || 180 || 1 || [[MassBank:KOX00897|Xanthopterin]]&nbsp;  
+
| C6H6N5O2 || 180 || 1 || [[MassBank:KOX00897|X012]]&nbsp;  
 
|-
 
|-
  
−
| C10H8N5 || 198 || 1 || [[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;  
+
| C10H8N5 || 198 || 1 || [[MassBank:KOX00245|F014]]&nbsp;  
 
|-
 
|-
  
−
| C13H20NO7 || 302 || 1 || [[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C13H20NO7 || 302 || 1 || [[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C8H8N2 || 132 || 1 || [[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;  
+
| C8H8N2 || 132 || 1 || [[MassBank:KOX00713|D087]]&nbsp;  
 
|-
 
|-
  
−
| C20H33N6O12S2 || 613 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C20H33N6O12S2 || 613 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C7H11O || 111 || 1 || [[MassBank:KOX00558|Suberate]]&nbsp;  
+
| C7H11O || 111 || 1 || [[MassBank:KOX00558|S013]]&nbsp;  
 
|-
 
|-
  
−
| C3H5O || 57 || 12 || [[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;[[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00586|Thr]]&nbsp;[[MassBank:KOX00593|allo-threonine]]&nbsp;[[MassBank:KOX00640|3-Amino-1,2-propanediol]]&nbsp;[[MassBank:KOX00659|O-Acetylcarnitine]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00778|a-Methylserine]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;[[MassBank:KOX00893|Uridine]]&nbsp;[[MassBank:KOX00907|Glycerophosphate]]&nbsp;  
+
| C3H5O || 57 || 12 || [[MassBank:KOX00174|C119]]&nbsp;[[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00586|T010]]&nbsp;[[MassBank:KOX00593|T020]]&nbsp;[[MassBank:KOX00640|A046]]&nbsp;[[MassBank:KOX00659|A143]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00778|M025]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;[[MassBank:KOX00893|U006]]&nbsp;[[MassBank:KOX00907|G030]]&nbsp;  
 
|-
 
|-
  
−
| C6H5N4O || 149 || 2 || [[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;  
+
| C6H5N4O || 149 || 2 || [[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;  
 
|-
 
|-
  
−
| C15H18NO || 228 || 2 || [[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00865|Scopolamine]]&nbsp;  
+
| C15H18NO || 228 || 2 || [[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00865|S040]]&nbsp;  
 
|-
 
|-
  
−
| C15H25N4O5 || 341 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C15H25N4O5 || 341 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C11H8N2 || 168 || 1 || [[MassBank:KOX00328|Harman]]&nbsp;  
+
| C11H8N2 || 168 || 1 || [[MassBank:KOX00328|H029]]&nbsp;  
 
|-
 
|-
  
−
| C11H19O3 || 199 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C11H19O3 || 199 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C2H3N2 || 55 || 31 || [[MassBank:KOX00054|Acyclovir]]&nbsp;[[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;[[MassBank:KOX00081|5-Amino-4-imidazolecarboxamide]]&nbsp;[[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00147|Creatinine]]&nbsp;[[MassBank:KOX00181|Cimetidine]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00266|Guanosine]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00315|Hypoxanthine]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;[[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00653|Agmatine]]&nbsp;[[MassBank:KOX00666|Amiloride]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00711|5'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00781|Metformin]]&nbsp;[[MassBank:KOX00787|1-Methyladenosine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00894|Velpar]]&nbsp;[[MassBank:KOX00897|Xanthopterin]]&nbsp;  
+
| C2H3N2 || 55 || 31 || [[MassBank:KOX00054|A071]]&nbsp;[[MassBank:KOX00077|A133]]&nbsp;[[MassBank:KOX00081|A136]]&nbsp;[[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00147|C034]]&nbsp;[[MassBank:KOX00181|C208]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00266|G015]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00315|H014]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;[[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00653|A104]]&nbsp;[[MassBank:KOX00666|A225]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00711|D082]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00737|G039]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00781|M032]]&nbsp;[[MassBank:KOX00787|M051]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00894|V020]]&nbsp;[[MassBank:KOX00897|X012]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N3O3 || 160 || 1 || [[MassBank:KOX00167|Canavanine]]&nbsp;  
+
| C5H10N3O3 || 160 || 1 || [[MassBank:KOX00167|C094]]&nbsp;  
 
|-
 
|-
  
−
| C9H15N4O3 || 227 || 1 || [[MassBank:KOX00136|Carnosine]]&nbsp;  
+
| C9H15N4O3 || 227 || 1 || [[MassBank:KOX00136|C012]]&nbsp;  
 
|-
 
|-
  
−
| C23H35N3O10P || 544 || 1 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;  
+
| C23H35N3O10P || 544 || 1 || [[MassBank:KOX00539|P122]]&nbsp;  
 
|-
 
|-
  
−
| C15H10N || 204 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C15H10N || 204 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C17H17N2O || 265 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C17H17N2O || 265 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C9H14NO3 || 184 || 2 || [[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;  
+
| C9H14NO3 || 184 || 2 || [[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;  
 
|-
 
|-
  
−
| C9H13N3O8P || 322 || 1 || [[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;  
+
| C9H13N3O8P || 322 || 1 || [[MassBank:KOX00077|A133]]&nbsp;  
 
|-
 
|-
  
−
| C7H11N2OS || 171 || 1 || [[MassBank:KOX00512|Propylthiouracil]]&nbsp;  
+
| C7H11N2OS || 171 || 1 || [[MassBank:KOX00512|P055]]&nbsp;  
 
|-
 
|-
  
−
| C13H21O2 || 209 || 2 || [[MassBank:KOX00284|Glycocholate]]&nbsp;[[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C13H21O2 || 209 || 2 || [[MassBank:KOX00284|G050]]&nbsp;[[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| C6H5O || 93 || 9 || [[MassBank:KOX00213|Diclofenac]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00656|2-Aminophenol]]&nbsp;[[MassBank:KOX00689|Cystathionine]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;[[MassBank:KOX00815|Neostigmine]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;  
+
| C6H5O || 93 || 9 || [[MassBank:KOX00213|D128]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00656|A114]]&nbsp;[[MassBank:KOX00689|C047]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;[[MassBank:KOX00815|N063]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;  
 
|-
 
|-
  
−
| C5H6NO4 || 144 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C5H6NO4 || 144 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C6H5ClN || 126 || 1 || [[MassBank:KOX00195|Diazoxide]]&nbsp;  
+
| C6H5ClN || 126 || 1 || [[MassBank:KOX00195|D051]]&nbsp;  
 
|-
 
|-
  
−
| C19H11NO4 || 317 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C19H11NO4 || 317 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C5H6N4 || 122 || 2 || [[MassBank:KOX00824|Phenazopyridine]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C5H6N4 || 122 || 2 || [[MassBank:KOX00824|P036]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N3O4 || 176 || 1 || [[MassBank:KOX00029|Argininosuccinate]]&nbsp;  
+
| C5H10N3O4 || 176 || 1 || [[MassBank:KOX00029|A039]]&nbsp;  
 
|-
 
|-
  
−
| C11H7N2 || 167 || 1 || [[MassBank:KOX00422|Milrinone]]&nbsp;  
+
| C11H7N2 || 167 || 1 || [[MassBank:KOX00422|M037]]&nbsp;  
 
|-
 
|-
  
−
| C4H6NOS || 116 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C4H6NOS || 116 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C6H10N3O3 || 172 || 1 || [[MassBank:KOX00782|Metronidazole]]&nbsp;  
+
| C6H10N3O3 || 172 || 1 || [[MassBank:KOX00782|M033]]&nbsp;  
 
|-
 
|-
  
−
| C3H3N2 || 67 || 25 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00054|Acyclovir]]&nbsp;[[MassBank:KOX00081|5-Amino-4-imidazolecarboxamide]]&nbsp;[[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;[[MassBank:KOX00197|2'-Deoxycytidine]]&nbsp;[[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;[[MassBank:KOX00315|Hypoxanthine]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;[[MassBank:KOX00708|2'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00711|5'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00802|4-Methylpyrazole]]&nbsp;[[MassBank:KOX00829|Purine]]&nbsp;[[MassBank:KOX00841|Purine riboside]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C3H3N2 || 67 || 25 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00054|A071]]&nbsp;[[MassBank:KOX00081|A136]]&nbsp;[[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00174|C119]]&nbsp;[[MassBank:KOX00197|D055]]&nbsp;[[MassBank:KOX00245|F014]]&nbsp;[[MassBank:KOX00315|H014]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00435|M054]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00707|D067]]&nbsp;[[MassBank:KOX00708|D069]]&nbsp;[[MassBank:KOX00711|D082]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00802|M124]]&nbsp;[[MassBank:KOX00829|P049]]&nbsp;[[MassBank:KOX00841|P081]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C18H16N5O3 || 350 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C18H16N5O3 || 350 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C8H9NO || 135 || 3 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;  
+
| C8H9NO || 135 || 3 || [[MassBank:KOX00385|I050]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;  
 
|-
 
|-
  
−
| C7H8O || 108 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C7H8O || 108 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C5H7N2O4 || 159 || 1 || [[MassBank:KOX00029|Argininosuccinate]]&nbsp;  
+
| C5H7N2O4 || 159 || 1 || [[MassBank:KOX00029|A039]]&nbsp;  
 
|-
 
|-
  
−
| C15H26N5O9S2 || 484 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C15H26N5O9S2 || 484 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C9H11O || 135 || 2 || [[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C9H11O || 135 || 2 || [[MassBank:KOX00882|T041]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C6H15N4O2 || 175 || 2 || [[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| C6H15N4O2 || 175 || 2 || [[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C9H15N4 || 179 || 1 || [[MassBank:KOX00086|Anserine]]&nbsp;  
+
| C9H15N4 || 179 || 1 || [[MassBank:KOX00086|A140]]&nbsp;  
 
|-
 
|-
  
−
| C5H5O || 81 || 5 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;[[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;[[MassBank:KOX00552|Ranitidine]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;  
+
| C5H5O || 81 || 5 || [[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00241|F008]]&nbsp;[[MassBank:KOX00245|F014]]&nbsp;[[MassBank:KOX00552|R041]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;  
 
|-
 
|-
  
−
| C2H3ClN3 || 104 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| C2H3ClN3 || 104 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C4H6NO4 || 132 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C4H6NO4 || 132 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| CH3N2O || 59 || 2 || [[MassBank:KOX00753|Hydroxyurea]]&nbsp;[[MassBank:KOX00864|Semicarbazide]]&nbsp;  
+
| CH3N2O || 59 || 2 || [[MassBank:KOX00753|H104]]&nbsp;[[MassBank:KOX00864|S034]]&nbsp;  
 
|-
 
|-
  
−
| C3H7N2S || 103 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C3H7N2S || 103 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C26H38NO3 || 412 || 1 || [[MassBank:KOX00284|Glycocholate]]&nbsp;  
+
| C26H38NO3 || 412 || 1 || [[MassBank:KOX00284|G050]]&nbsp;  
 
|-
 
|-
  
−
| C11H13N2 || 173 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C11H13N2 || 173 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C17H12NO3 || 278 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C17H12NO3 || 278 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C17H16N3O2 || 294 || 1 || [[MassBank:KOX00692|Ciprofloxacin]]&nbsp;  
+
| C17H16N3O2 || 294 || 1 || [[MassBank:KOX00692|C133]]&nbsp;  
 
|-
 
|-
  
−
| C13H15N4O || 243 || 1 || [[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;  
+
| C13H15N4O || 243 || 1 || [[MassBank:KOX00221|D166]]&nbsp;  
 
|-
 
|-
  
−
| C2H6O5P || 141 || 5 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;[[MassBank:KOX00489|Phosphoenolpyruvate]]&nbsp;[[MassBank:KOX00496|2-Phosphoglycerate]]&nbsp;[[MassBank:KOX00821|3-Phosphoglycerate]]&nbsp;[[MassBank:KOX00842|Phosphonoacetate]]&nbsp;  
+
| C2H6O5P || 141 || 5 || [[MassBank:KOX00185|D017]]&nbsp;[[MassBank:KOX00489|P007]]&nbsp;[[MassBank:KOX00496|P029]]&nbsp;[[MassBank:KOX00821|P028]]&nbsp;[[MassBank:KOX00842|P082]]&nbsp;  
 
|-
 
|-
  
−
| C10H13 || 133 || 2 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;  
+
| C10H13 || 133 || 2 || [[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;  
 
|-
 
|-
  
−
| C9H8Cl || 151 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C9H8Cl || 151 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C15H21N2O5 || 309 || 1 || [[MassBank:KOX00526|Puromycin]]&nbsp;  
+
| C15H21N2O5 || 309 || 1 || [[MassBank:KOX00526|P075]]&nbsp;  
 
|-
 
|-
  
−
| C5H11NO3 || 133 || 1 || [[MassBank:KOX00288|Glucosaminate]]&nbsp;  
+
| C5H11NO3 || 133 || 1 || [[MassBank:KOX00288|G061]]&nbsp;  
 
|-
 
|-
  
−
| C5H3N4O || 135 || 6 || [[MassBank:KOX00054|Acyclovir]]&nbsp;[[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;[[MassBank:KOX00266|Guanosine]]&nbsp;[[MassBank:KOX00300|Ganciclovir]]&nbsp;[[MassBank:KOX00851|Penciclovir]]&nbsp;[[MassBank:KOX00897|Xanthopterin]]&nbsp;  
+
| C5H3N4O || 135 || 6 || [[MassBank:KOX00054|A071]]&nbsp;[[MassBank:KOX00201|D057]]&nbsp;[[MassBank:KOX00266|G015]]&nbsp;[[MassBank:KOX00300|G088]]&nbsp;[[MassBank:KOX00851|P157]]&nbsp;[[MassBank:KOX00897|X012]]&nbsp;  
 
|-
 
|-
  
−
| C17H14N5O3 || 336 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C17H14N5O3 || 336 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C9H11N3O7P || 304 || 1 || [[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;  
+
| C9H11N3O7P || 304 || 1 || [[MassBank:KOX00077|A133]]&nbsp;  
 
|-
 
|-
  
−
| C4H5N2 || 81 || 39 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00162|Cocarboxylase]]&nbsp;[[MassBank:KOX00197|2'-Deoxycytidine]]&nbsp;[[MassBank:KOX00215|Na,Na-Dimethylhistidine]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00526|Puromycin]]&nbsp;[[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00590|Thymine]]&nbsp;[[MassBank:KOX00596|Theophylline]]&nbsp;[[MassBank:KOX00606|Thiamine]]&nbsp;[[MassBank:KOX00608|Thiamine monophosphate]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00746|4-Hydroxymethylimidazole]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00756|Imidazole-4-acetate]]&nbsp;[[MassBank:KOX00761|b-Imidazolelactate]]&nbsp;[[MassBank:KOX00779|5-Methylcytosine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00782|Metronidazole]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;[[MassBank:KOX00846|Pyrazinamide]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;[[MassBank:KOX00881|Trimethoprim]]&nbsp;[[MassBank:KOX00897|Xanthopterin]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;[[MassBank:KOX00913|Pyrimidine]]&nbsp;  
+
| C4H5N2 || 81 || 39 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00162|C077]]&nbsp;[[MassBank:KOX00197|D055]]&nbsp;[[MassBank:KOX00215|D131]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00526|P075]]&nbsp;[[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00590|T015]]&nbsp;[[MassBank:KOX00596|T029]]&nbsp;[[MassBank:KOX00606|T056]]&nbsp;[[MassBank:KOX00608|T057]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00746|H025]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00756|I014]]&nbsp;[[MassBank:KOX00761|I053]]&nbsp;[[MassBank:KOX00779|M029]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00782|M033]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00803|M126]]&nbsp;[[MassBank:KOX00846|P098]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;[[MassBank:KOX00881|T033]]&nbsp;[[MassBank:KOX00897|X012]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;[[MassBank:KOX00913|P042]]&nbsp;  
 
|-
 
|-
  
−
| C10H11ClNO || 196 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C10H11ClNO || 196 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C2H4NOS || 90 || 1 || [[MassBank:KOX00584|Taurine]]&nbsp;  
+
| C2H4NOS || 90 || 1 || [[MassBank:KOX00584|T004]]&nbsp;  
 
|-
 
|-
  
−
| C10H8NO4 || 206 || 1 || [[MassBank:KOX00628|Xanthurenate]]&nbsp;  
+
| C10H8NO4 || 206 || 1 || [[MassBank:KOX00628|X004]]&nbsp;  
 
|-
 
|-
  
−
| C4H7N2S || 115 || 1 || [[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;  
+
| C4H7N2S || 115 || 1 || [[MassBank:KOX00803|M126]]&nbsp;  
 
|-
 
|-
  
−
| C18H27O3 || 291 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C18H27O3 || 291 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C8H10NO4 || 184 || 1 || [[MassBank:KOX00840|4-Pyridoxate]]&nbsp;  
+
| C8H10NO4 || 184 || 1 || [[MassBank:KOX00840|P079]]&nbsp;  
 
|-
 
|-
  
−
| C9H12Cl || 155 || 1 || [[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C9H12Cl || 155 || 1 || [[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C2H6N2O || 74 || 1 || [[MassBank:KOX00086|Anserine]]&nbsp;  
+
| C2H6N2O || 74 || 1 || [[MassBank:KOX00086|A140]]&nbsp;  
 
|-
 
|-
  
−
| C9H8 || 116 || 2 || [[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C9H8 || 116 || 2 || [[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C17H25N3O6P || 398 || 1 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;  
+
| C17H25N3O6P || 398 || 1 || [[MassBank:KOX00539|P122]]&nbsp;  
 
|-
 
|-
  
−
| C3H3O || 55 || 12 || [[MassBank:KOX00064|a-Aminoadipate]]&nbsp;[[MassBank:KOX00083|N-Acetyl-b-alanine]]&nbsp;[[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;[[MassBank:KOX00176|Cysteine S-sulfate]]&nbsp;[[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00266|Guanosine]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00476|L-5-Oxoproline]]&nbsp;[[MassBank:KOX00529|D-5-Oxoproline]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;  
+
| C3H3O || 55 || 12 || [[MassBank:KOX00064|A110]]&nbsp;[[MassBank:KOX00083|A138]]&nbsp;[[MassBank:KOX00140|C015]]&nbsp;[[MassBank:KOX00176|C127]]&nbsp;[[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00266|G015]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00476|O008]]&nbsp;[[MassBank:KOX00529|P092]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;  
 
|-
 
|-
  
−
| C10H14N5O5 || 284 || 1 || [[MassBank:KOX00266|Guanosine]]&nbsp;  
+
| C10H14N5O5 || 284 || 1 || [[MassBank:KOX00266|G015]]&nbsp;  
 
|-
 
|-
  
−
| C6H8NO3 || 142 || 2 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;  
+
| C6H8NO3 || 142 || 2 || [[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;  
 
|-
 
|-
  
−
| C4H4N3S || 126 || 2 || [[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;  
+
| C4H4N3S || 126 || 2 || [[MassBank:KOX00435|M054]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;  
 
|-
 
|-
  
−
| C9H18N3O2 || 200 || 1 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;  
+
| C9H18N3O2 || 200 || 1 || [[MassBank:KOX00069|A127]]&nbsp;  
 
|-
 
|-
  
−
| CH4O3P || 95 || 3 || [[MassBank:KOX00109|(Aminomethyl)phosphonate]]&nbsp;[[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;[[MassBank:KOX00842|Phosphonoacetate]]&nbsp;  
+
| CH4O3P || 95 || 3 || [[MassBank:KOX00109|A235]]&nbsp;[[MassBank:KOX00185|D017]]&nbsp;[[MassBank:KOX00842|P082]]&nbsp;  
 
|-
 
|-
  
−
| C13H17 || 173 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C13H17 || 173 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C9H11 || 119 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C9H11 || 119 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C12H13 || 157 || 2 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C12H13 || 157 || 2 || [[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| C4H11O3 || 107 || 3 || [[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;  
+
| C4H11O3 || 107 || 3 || [[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;  
 
|-
 
|-
  
−
| C10H11N2O || 175 || 1 || [[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;  
+
| C10H11N2O || 175 || 1 || [[MassBank:KOX00379|I030]]&nbsp;  
 
|-
 
|-
  
−
| C6H13O11P2 || 323 || 1 || [[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;  
+
| C6H13O11P2 || 323 || 1 || [[MassBank:KOX00241|F008]]&nbsp;  
 
|-
 
|-
  
−
| C9H16N3O5 || 246 || 1 || [[MassBank:KOX00029|Argininosuccinate]]&nbsp;  
+
| C9H16N3O5 || 246 || 1 || [[MassBank:KOX00029|A039]]&nbsp;  
 
|-
 
|-
  
−
| C7H10NO4 || 172 || 1 || [[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;  
+
| C7H10NO4 || 172 || 1 || [[MassBank:KOX00022|A031]]&nbsp;  
 
|-
 
|-
  
−
| C10H15N2 || 163 || 2 || [[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;  
+
| C10H15N2 || 163 || 2 || [[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;  
 
|-
 
|-
  
−
| OPS || 79 || 1 || [[MassBank:KOX00211|O, O-Diethyl thiophosphate]]&nbsp;  
+
| OPS || 79 || 1 || [[MassBank:KOX00211|D113]]&nbsp;  
 
|-
 
|-
  
−
| C13H15ClN || 220 || 1 || [[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C13H15ClN || 220 || 1 || [[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C5H8NO3 || 130 || 11 || [[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00259|D-Glu]]&nbsp;[[MassBank:KOX00268|L-Gln]]&nbsp;[[MassBank:KOX00270|L-Glu]]&nbsp;[[MassBank:KOX00281|Glu-Glu]]&nbsp;[[MassBank:KOX00476|L-5-Oxoproline]]&nbsp;[[MassBank:KOX00529|D-5-Oxoproline]]&nbsp;[[MassBank:KOX00733|D-Gln]]&nbsp;[[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C5H8NO3 || 130 || 11 || [[MassBank:KOX00022|A031]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00259|G005]]&nbsp;[[MassBank:KOX00268|G018]]&nbsp;[[MassBank:KOX00270|G019]]&nbsp;[[MassBank:KOX00281|G043]]&nbsp;[[MassBank:KOX00476|O008]]&nbsp;[[MassBank:KOX00529|P092]]&nbsp;[[MassBank:KOX00733|G006]]&nbsp;[[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| CH3ClN || 64 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| CH3ClN || 64 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C30H45O3 || 453 || 2 || [[MassBank:KOX00286|Glycyrrhizate]]&nbsp;[[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C30H45O3 || 453 || 2 || [[MassBank:KOX00286|G057]]&nbsp;[[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C3H5NO || 71 || 1 || [[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;  
+
| C3H5NO || 71 || 1 || [[MassBank:KOX00140|C015]]&nbsp;  
 
|-
 
|-
  
−
| C13H22N5O4 || 312 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C13H22N5O4 || 312 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C14H25N2O3 || 269 || 1 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;  
+
| C14H25N2O3 || 269 || 1 || [[MassBank:KOX00396|L006]]&nbsp;  
 
|-
 
|-
  
−
| C10H10N3O2 || 204 || 2 || [[MassBank:KOX00306|TRH]]&nbsp;[[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C10H10N3O2 || 204 || 2 || [[MassBank:KOX00306|G117]]&nbsp;[[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C7H11O3 || 143 || 1 || [[MassBank:KOX00682|Betonicine]]&nbsp;  
+
| C7H11O3 || 143 || 1 || [[MassBank:KOX00682|B090]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N2O5 || 241 || 1 || [[MassBank:KOX00281|Glu-Glu]]&nbsp;  
+
| C10H13N2O5 || 241 || 1 || [[MassBank:KOX00281|G043]]&nbsp;  
 
|-
 
|-
  
−
| C7H10F3 || 151 || 1 || [[MassBank:KOX00731|Fenfluramine]]&nbsp;  
+
| C7H10F3 || 151 || 1 || [[MassBank:KOX00731|F016]]&nbsp;  
 
|-
 
|-
  
−
| C18H14NO3 || 292 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C18H14NO3 || 292 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C6H11O4 || 147 || 2 || [[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;  
+
| C6H11O4 || 147 || 2 || [[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;  
 
|-
 
|-
  
−
| C8H6NO2 || 148 || 2 || [[MassBank:KOX00371|Isatin]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;  
+
| C8H6NO2 || 148 || 2 || [[MassBank:KOX00371|I019]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;  
 
|-
 
|-
  
−
| C3H3N3 || 81 || 2 || [[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;  
+
| C3H3N3 || 81 || 2 || [[MassBank:KOX00451|M104]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;  
 
|-
 
|-
  
−
| C8H13OS2 || 189 || 1 || [[MassBank:KOX00770|a-Lipoamide]]&nbsp;  
+
| C8H13OS2 || 189 || 1 || [[MassBank:KOX00770|L031]]&nbsp;  
 
|-
 
|-
  
−
| C6H10NO4 || 160 || 1 || [[MassBank:KOX00526|Puromycin]]&nbsp;  
+
| C6H10NO4 || 160 || 1 || [[MassBank:KOX00526|P075]]&nbsp;  
 
|-
 
|-
  
−
| C10H9NO || 159 || 5 || [[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;  
+
| C10H9NO || 159 || 5 || [[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;  
 
|-
 
|-
  
−
| C9H13Cl || 156 || 1 || [[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C9H13Cl || 156 || 1 || [[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C10H9ClN || 178 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C10H9ClN || 178 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C6H6ClN6O || 213 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C6H6ClN6O || 213 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C16H16NO || 238 || 1 || [[MassBank:KOX00772|Loperamide]]&nbsp;  
+
| C16H16NO || 238 || 1 || [[MassBank:KOX00772|L047]]&nbsp;  
 
|-
 
|-
  
−
| C10H6O2 || 158 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C10H6O2 || 158 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C5H5N2 || 93 || 7 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00388|Isonicotinate hydrazide]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C5H5N2 || 93 || 7 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00388|I066]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C5H13N2O2 || 133 || 5 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00474|L-Ornithine]]&nbsp;[[MassBank:KOX00818|D-Ornithine]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C5H13N2O2 || 133 || 5 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00474|O003]]&nbsp;[[MassBank:KOX00818|O005]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C9H7NO || 145 || 1 || [[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;  
+
| C9H7NO || 145 || 1 || [[MassBank:KOX00445|M078]]&nbsp;  
 
|-
 
|-
  
−
| O2P || 63 || 8 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;[[MassBank:KOX00211|O, O-Diethyl thiophosphate]]&nbsp;[[MassBank:KOX00218|Diethyl phsophate]]&nbsp;[[MassBank:KOX00489|Phosphoenolpyruvate]]&nbsp;[[MassBank:KOX00496|2-Phosphoglycerate]]&nbsp;[[MassBank:KOX00821|3-Phosphoglycerate]]&nbsp;[[MassBank:KOX00842|Phosphonoacetate]]&nbsp;[[MassBank:KOX00907|Glycerophosphate]]&nbsp;  
+
| O2P || 63 || 8 || [[MassBank:KOX00045|A056]]&nbsp;[[MassBank:KOX00211|D113]]&nbsp;[[MassBank:KOX00218|D141]]&nbsp;[[MassBank:KOX00489|P007]]&nbsp;[[MassBank:KOX00496|P029]]&nbsp;[[MassBank:KOX00821|P028]]&nbsp;[[MassBank:KOX00842|P082]]&nbsp;[[MassBank:KOX00907|G030]]&nbsp;  
 
|-
 
|-
  
−
| C6H5N4 || 133 || 3 || [[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C6H5N4 || 133 || 3 || [[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C13H12NO || 198 || 2 || [[MassBank:KOX00133|Bumetanide]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;  
+
| C13H12NO || 198 || 2 || [[MassBank:KOX00133|B093]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N4O || 205 || 1 || [[MassBank:KOX00313|Homocarnosine]]&nbsp;  
+
| C10H13N4O || 205 || 1 || [[MassBank:KOX00313|H013]]&nbsp;  
 
|-
 
|-
  
−
| C6H6NO2S || 156 || 3 || [[MassBank:KOX00107|4-Aminophenylsulfone]]&nbsp;[[MassBank:KOX00577|Sulfathiazole]]&nbsp;[[MassBank:KOX00863|Sulfanilamide]]&nbsp;  
+
| C6H6NO2S || 156 || 3 || [[MassBank:KOX00107|A220]]&nbsp;[[MassBank:KOX00577|S079]]&nbsp;[[MassBank:KOX00863|S016]]&nbsp;  
 
|-
 
|-
  
−
| C12H19N4O7P2S || 425 || 1 || [[MassBank:KOX00162|Cocarboxylase]]&nbsp;  
+
| C12H19N4O7P2S || 425 || 1 || [[MassBank:KOX00162|C077]]&nbsp;  
 
|-
 
|-
  
−
| C10H7N2O2 || 187 || 1 || [[MassBank:KOX00817|Nalidixate]]&nbsp;  
+
| C10H7N2O2 || 187 || 1 || [[MassBank:KOX00817|N067]]&nbsp;  
 
|-
 
|-
  
−
| C6H11 || 83 || 4 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;[[MassBank:KOX00558|Suberate]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;[[MassBank:KOX00691|Cyclohexylamine]]&nbsp;  
+
| C6H11 || 83 || 4 || [[MassBank:KOX00104|A196]]&nbsp;[[MassBank:KOX00558|S013]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;[[MassBank:KOX00691|C114]]&nbsp;  
 
|-
 
|-
  
−
| C9H9O5 || 197 || 2 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C9H9O5 || 197 || 2 || [[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C11H10N || 156 || 2 || [[MassBank:KOX00133|Bumetanide]]&nbsp;[[MassBank:KOX00238|Etodolac]]&nbsp;  
+
| C11H10N || 156 || 2 || [[MassBank:KOX00133|B093]]&nbsp;[[MassBank:KOX00238|E034]]&nbsp;  
 
|-
 
|-
  
−
| C6H13O6 || 181 || 1 || [[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;  
+
| C6H13O6 || 181 || 1 || [[MassBank:KOX00611|T065]]&nbsp;  
 
|-
 
|-
  
−
| C11H11NO2 || 189 || 1 || [[MassBank:KOX00836|Protopine]]&nbsp;  
+
| C11H11NO2 || 189 || 1 || [[MassBank:KOX00836|P070]]&nbsp;  
 
|-
 
|-
  
−
| C18H34N || 264 || 1 || [[MassBank:KOX00518|Psychosine]]&nbsp;  
+
| C18H34N || 264 || 1 || [[MassBank:KOX00518|P067]]&nbsp;  
 
|-
 
|-
  
−
| C2H9O9P2 || 239 || 1 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;  
+
| C2H9O9P2 || 239 || 1 || [[MassBank:KOX00185|D017]]&nbsp;  
 
|-
 
|-
  
−
| C10H13O || 149 || 2 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;  
+
| C10H13O || 149 || 2 || [[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;  
 
|-
 
|-
  
−
| C7H8NO3 || 154 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C7H8NO3 || 154 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C6H15N2O3 || 163 || 3 || [[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;  
+
| C6H15N2O3 || 163 || 3 || [[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;  
 
|-
 
|-
  
−
| C11H16N2O2 || 208 || 1 || [[MassBank:KOX00815|Neostigmine]]&nbsp;  
+
| C11H16N2O2 || 208 || 1 || [[MassBank:KOX00815|N063]]&nbsp;  
 
|-
 
|-
  
−
| C3H10N3 || 88 || 1 || [[MassBank:KOX00781|Metformin]]&nbsp;  
+
| C3H10N3 || 88 || 1 || [[MassBank:KOX00781|M032]]&nbsp;  
 
|-
 
|-
  
−
| C11H10N3 || 184 || 2 || [[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;  
+
| C11H10N3 || 184 || 2 || [[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;  
 
|-
 
|-
  
−
| C3H3ClN3 || 116 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C3H3ClN3 || 116 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C12H11N2O2 || 215 || 1 || [[MassBank:KOX00817|Nalidixate]]&nbsp;  
+
| C12H11N2O2 || 215 || 1 || [[MassBank:KOX00817|N067]]&nbsp;  
 
|-
 
|-
  
−
| C6H13N2O2 || 145 || 4 || [[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;  
+
| C6H13N2O2 || 145 || 4 || [[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;  
 
|-
 
|-
  
−
| C8H20N || 130 || 1 || [[MassBank:KOX00819|Octylamine]]&nbsp;  
+
| C8H20N || 130 || 1 || [[MassBank:KOX00819|O007]]&nbsp;  
 
|-
 
|-
  
−
| C12H18Cl || 197 || 1 || [[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C12H18Cl || 197 || 1 || [[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C5H9S || 101 || 1 || [[MassBank:KOX00770|a-Lipoamide]]&nbsp;  
+
| C5H9S || 101 || 1 || [[MassBank:KOX00770|L031]]&nbsp;  
 
|-
 
|-
  
−
| C5H11 || 71 || 2 || [[MassBank:KOX00758|Isoamylamine]]&nbsp;[[MassBank:KOX00819|Octylamine]]&nbsp;  
+
| C5H11 || 71 || 2 || [[MassBank:KOX00758|I039]]&nbsp;[[MassBank:KOX00819|O007]]&nbsp;  
 
|-
 
|-
  
−
| C8H9INO || 262 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C8H9INO || 262 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C11H18NO3 || 212 || 1 || [[MassBank:KOX00808|Methoxamine]]&nbsp;  
+
| C11H18NO3 || 212 || 1 || [[MassBank:KOX00808|M169]]&nbsp;  
 
|-
 
|-
  
−
| C6H12O8P || 243 || 4 || [[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;  
+
| C6H12O8P || 243 || 4 || [[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00611|T065]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;  
 
|-
 
|-
  
−
| C10H11N4O2 || 219 || 1 || [[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C10H11N4O2 || 219 || 1 || [[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C9H6IO2 || 273 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C9H6IO2 || 273 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C9H16NO7 || 250 || 1 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;  
+
| C9H16NO7 || 250 || 1 || [[MassBank:KOX00016|A018]]&nbsp;  
 
|-
 
|-
  
−
| C7H15N2O3 || 175 || 2 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;  
+
| C7H15N2O3 || 175 || 2 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;  
 
|-
 
|-
  
−
| C3H9N || 59 || 5 || [[MassBank:KOX00680|Betaine aldehyde]]&nbsp;[[MassBank:KOX00681|Betaine]]&nbsp;[[MassBank:KOX00696|g-Butyrobetaine]]&nbsp;[[MassBank:KOX00709|Desthiobiotin]]&nbsp;[[MassBank:KOX00884|Trimethylamine N-oxide]]&nbsp;  
+
| C3H9N || 59 || 5 || [[MassBank:KOX00680|B044]]&nbsp;[[MassBank:KOX00681|B047]]&nbsp;[[MassBank:KOX00696|C220]]&nbsp;[[MassBank:KOX00709|D075]]&nbsp;[[MassBank:KOX00884|T051]]&nbsp;  
 
|-
 
|-
  
−
| C9H12N3O3 || 210 || 2 || [[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;  
+
| C9H12N3O3 || 210 || 2 || [[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;  
 
|-
 
|-
  
−
| C7H13N2O2 || 157 || 2 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;  
+
| C7H13N2O2 || 157 || 2 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;  
 
|-
 
|-
  
−
| C6H10N3 || 124 || 3 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;  
+
| C6H10N3 || 124 || 3 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;  
 
|-
 
|-
  
−
| C7H8NO2 || 138 || 10 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00855|Prazosin]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;  
+
| C7H8NO2 || 138 || 10 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00855|P191]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N2 || 98 || 3 || [[MassBank:KOX00552|Ranitidine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00890|Trifluoperazine]]&nbsp;  
+
| C5H10N2 || 98 || 3 || [[MassBank:KOX00552|R041]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00890|T122]]&nbsp;  
 
|-
 
|-
  
−
| C4H7O3S || 135 || 1 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;  
+
| C4H7O3S || 135 || 1 || [[MassBank:KOX00048|A059]]&nbsp;  
 
|-
 
|-
  
−
| C11H23N2O || 199 || 1 || [[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;  
+
| C11H23N2O || 199 || 1 || [[MassBank:KOX00398|L007]]&nbsp;  
 
|-
 
|-
  
−
| C10H11N4 || 187 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C10H11N4 || 187 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C11H18NO9 || 308 || 1 || [[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C11H18NO9 || 308 || 1 || [[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C14H14O2 || 214 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C14H14O2 || 214 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C9H7I2O3 || 417 || 1 || [[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;  
+
| C9H7I2O3 || 417 || 1 || [[MassBank:KOX00199|D056]]&nbsp;  
 
|-
 
|-
  
−
| C12H11N2O || 199 || 1 || [[MassBank:KOX00325|Harmaline]]&nbsp;  
+
| C12H11N2O || 199 || 1 || [[MassBank:KOX00325|H027]]&nbsp;  
 
|-
 
|-
  
−
| C9H9NO || 147 || 2 || [[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;  
+
| C9H9NO || 147 || 2 || [[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;  
 
|-
 
|-
  
−
| C23H36N3O10P || 545 || 1 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;  
+
| C23H36N3O10P || 545 || 1 || [[MassBank:KOX00539|P122]]&nbsp;  
 
|-
 
|-
  
−
| C6H16N3O || 146 || 1 || [[MassBank:KOX00769|Lysinamide]]&nbsp;  
+
| C6H16N3O || 146 || 1 || [[MassBank:KOX00769|L027]]&nbsp;  
 
|-
 
|-
  
−
| C9H8NO3 || 178 || 1 || [[MassBank:KOX00628|Xanthurenate]]&nbsp;  
+
| C9H8NO3 || 178 || 1 || [[MassBank:KOX00628|X004]]&nbsp;  
 
|-
 
|-
  
−
| C14H16N3O3 || 274 || 1 || [[MassBank:KOX00504|Piperacillin]]&nbsp;  
+
| C14H16N3O3 || 274 || 1 || [[MassBank:KOX00504|P039]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N3 || 112 || 4 || [[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00754|Hexamethylene tetramine]]&nbsp;  
+
| C5H10N3 || 112 || 4 || [[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00754|H112]]&nbsp;  
 
|-
 
|-
  
−
| C14H16N5O7 || 366 || 1 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;  
+
| C14H16N5O7 || 366 || 1 || [[MassBank:KOX00027|A037]]&nbsp;  
 
|-
 
|-
  
−
| C8H8NO2 || 150 || 2 || [[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;  
+
| C8H8NO2 || 150 || 2 || [[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;  
 
|-
 
|-
  
−
| C8H11N2O || 151 || 1 || [[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;  
+
| C8H11N2O || 151 || 1 || [[MassBank:KOX00536|P113]]&nbsp;  
 
|-
 
|-
  
−
| C17H18NO5S || 348 || 1 || [[MassBank:KOX00133|Bumetanide]]&nbsp;  
+
| C17H18NO5S || 348 || 1 || [[MassBank:KOX00133|B093]]&nbsp;  
 
|-
 
|-
  
−
| C2H5N2O || 73 || 1 || [[MassBank:KOX00851|Penciclovir]]&nbsp;  
+
| C2H5N2O || 73 || 1 || [[MassBank:KOX00851|P157]]&nbsp;  
 
|-
 
|-
  
−
| C3H7NO2 || 89 || 1 || [[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;  
+
| C3H7NO2 || 89 || 1 || [[MassBank:KOX00140|C015]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N4 || 110 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C4H6N4 || 110 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C13H16NO2 || 218 || 1 || [[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C13H16NO2 || 218 || 1 || [[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N2O || 98 || 1 || [[MassBank:KOX00782|Metronidazole]]&nbsp;  
+
| C4H6N2O || 98 || 1 || [[MassBank:KOX00782|M033]]&nbsp;  
 
|-
 
|-
  
−
| C14H19N2O3 || 263 || 2 || [[MassBank:KOX00635|Z-Gly-Pro]]&nbsp;[[MassBank:KOX00663|Ampicillin]]&nbsp;  
+
| C14H19N2O3 || 263 || 2 || [[MassBank:KOX00635|Z003]]&nbsp;[[MassBank:KOX00663|A197]]&nbsp;  
 
|-
 
|-
  
−
| C5H4ClN4O || 171 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C5H4ClN4O || 171 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| CH6O9P || 193 || 1 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;  
+
| CH6O9P || 193 || 1 || [[MassBank:KOX00185|D017]]&nbsp;  
 
|-
 
|-
  
−
| C16H9O || 217 || 1 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;  
+
| C16H9O || 217 || 1 || [[MassBank:KOX00658|A137]]&nbsp;  
 
|-
 
|-
  
−
| C5H9N || 83 || 1 || [[MassBank:KOX00875|Tropine]]&nbsp;  
+
| C5H9N || 83 || 1 || [[MassBank:KOX00875|T024]]&nbsp;  
 
|-
 
|-
  
−
| C6H11S || 115 || 1 || [[MassBank:KOX00646|Alliin]]&nbsp;  
+
| C6H11S || 115 || 1 || [[MassBank:KOX00646|A064]]&nbsp;  
 
|-
 
|-
  
−
| C11H23N4O || 227 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C11H23N4O || 227 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C10H18NO5S || 264 || 1 || [[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;  
+
| C10H18NO5S || 264 || 1 || [[MassBank:KOX00636|A020]]&nbsp;  
 
|-
 
|-
  
−
| C15H16NO2 || 242 || 1 || [[MassBank:KOX00449|Mefenamate]]&nbsp;  
+
| C15H16NO2 || 242 || 1 || [[MassBank:KOX00449|M089]]&nbsp;  
 
|-
 
|-
  
−
| C8H15N2O5S || 251 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C8H15N2O5S || 251 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C4H11N4O || 131 || 1 || [[MassBank:KOX00167|Canavanine]]&nbsp;  
+
| C4H11N4O || 131 || 1 || [[MassBank:KOX00167|C094]]&nbsp;  
 
|-
 
|-
  
−
| C9H8NO2 || 162 || 1 || [[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;  
+
| C9H8NO2 || 162 || 1 || [[MassBank:KOX00748|H050]]&nbsp;  
 
|-
 
|-
  
−
| C2H6NO2S || 108 || 2 || [[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;[[MassBank:KOX00584|Taurine]]&nbsp;  
+
| C2H6NO2S || 108 || 2 || [[MassBank:KOX00140|C015]]&nbsp;[[MassBank:KOX00584|T004]]&nbsp;  
 
|-
 
|-
  
−
| C5H5N2O || 109 || 4 || [[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00590|Thymine]]&nbsp;[[MassBank:KOX00756|Imidazole-4-acetate]]&nbsp;[[MassBank:KOX00779|5-Methylcytosine]]&nbsp;  
+
| C5H5N2O || 109 || 4 || [[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00590|T015]]&nbsp;[[MassBank:KOX00756|I014]]&nbsp;[[MassBank:KOX00779|M029]]&nbsp;  
 
|-
 
|-
  
−
| C2H4N3O || 86 || 2 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;[[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;  
+
| C2H4N3O || 86 || 2 || [[MassBank:KOX00104|A196]]&nbsp;[[MassBank:KOX00737|G039]]&nbsp;  
 
|-
 
|-
  
−
| C9H20N3O3 || 218 || 1 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;  
+
| C9H20N3O3 || 218 || 1 || [[MassBank:KOX00069|A127]]&nbsp;  
 
|-
 
|-
  
−
| C8H15N2O2 || 171 || 2 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00295|Gly-Leu]]&nbsp;  
+
| C8H15N2O2 || 171 || 2 || [[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00295|G071]]&nbsp;  
 
|-
 
|-
  
−
| C17H23N3O5P || 380 || 1 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;  
+
| C17H23N3O5P || 380 || 1 || [[MassBank:KOX00539|P122]]&nbsp;  
 
|-
 
|-
  
−
| C5H9O2S || 133 || 3 || [[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;  
+
| C5H9O2S || 133 || 3 || [[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;  
 
|-
 
|-
  
−
| C6H5 || 77 || 106 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00064|a-Aminoadipate]]&nbsp;[[MassBank:KOX00073|Acetanilide]]&nbsp;[[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00120|6-Benzylaminopurine]]&nbsp;[[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00126|Biotin]]&nbsp;[[MassBank:KOX00189|Dopamine]]&nbsp;[[MassBank:KOX00195|Diazoxide]]&nbsp;[[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;[[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00328|Harman]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00368|Isoguvacine]]&nbsp;[[MassBank:KOX00371|Isatin]]&nbsp;[[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00471|Naproxen]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00501|Phenyl phosphate]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;[[MassBank:KOX00558|Suberate]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00616|Triadimefon]]&nbsp;[[MassBank:KOX00628|Xanthurenate]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00638|5-Aminoindole]]&nbsp;[[MassBank:KOX00643|Aniline]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00646|Alliin]]&nbsp;[[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00670|Benzamidine]]&nbsp;[[MassBank:KOX00671|Benzamide]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;[[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00731|Fenfluramine]]&nbsp;[[MassBank:KOX00738|Gramine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00763|Isoquinoline]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;[[MassBank:KOX00769|Lysinamide]]&nbsp;[[MassBank:KOX00770|a-Lipoamide]]&nbsp;[[MassBank:KOX00784|Mecamylamine]]&nbsp;[[MassBank:KOX00789|N-Methylaniline]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;[[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00817|Nalidixate]]&nbsp;[[MassBank:KOX00819|Octylamine]]&nbsp;[[MassBank:KOX00824|Phenazopyridine]]&nbsp;[[MassBank:KOX00828|Phenylethylamine]]&nbsp;[[MassBank:KOX00830|Pseudopelletierine]]&nbsp;[[MassBank:KOX00832|o-Phenanthroline]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;[[MassBank:KOX00860|Quinoline]]&nbsp;[[MassBank:KOX00865|Scopolamine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;[[MassBank:KOX00877|Thiabendazole]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;[[MassBank:KOX00892|Terbutaline]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C6H5 || 77 || 106 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00064|A110]]&nbsp;[[MassBank:KOX00073|A130]]&nbsp;[[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00120|B015]]&nbsp;[[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00126|B020]]&nbsp;[[MassBank:KOX00189|D046]]&nbsp;[[MassBank:KOX00195|D051]]&nbsp;[[MassBank:KOX00221|D166]]&nbsp;[[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00328|H029]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00368|I015]]&nbsp;[[MassBank:KOX00371|I019]]&nbsp;[[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00471|N018]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00501|P033]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00536|P113]]&nbsp;[[MassBank:KOX00558|S013]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00616|T112]]&nbsp;[[MassBank:KOX00628|X004]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00638|A036]]&nbsp;[[MassBank:KOX00643|A054]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00646|A064]]&nbsp;[[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00670|B004]]&nbsp;[[MassBank:KOX00671|B009]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;[[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00731|F016]]&nbsp;[[MassBank:KOX00738|G041]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00763|I067]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;[[MassBank:KOX00769|L027]]&nbsp;[[MassBank:KOX00770|L031]]&nbsp;[[MassBank:KOX00784|M039]]&nbsp;[[MassBank:KOX00789|M066]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00804|M142]]&nbsp;[[MassBank:KOX00805|M150]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00817|N067]]&nbsp;[[MassBank:KOX00819|O007]]&nbsp;[[MassBank:KOX00824|P036]]&nbsp;[[MassBank:KOX00828|P047]]&nbsp;[[MassBank:KOX00830|P054]]&nbsp;[[MassBank:KOX00832|P057]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;[[MassBank:KOX00860|Q008]]&nbsp;[[MassBank:KOX00865|S040]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;[[MassBank:KOX00877|T028]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;[[MassBank:KOX00892|T126]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C5H7N2O3 || 143 || 1 || [[MassBank:KOX00251|Formiminoaspartate]]&nbsp;  
+
| C5H7N2O3 || 143 || 1 || [[MassBank:KOX00251|F025]]&nbsp;  
 
|-
 
|-
  
−
| C8H5O || 117 || 1 || [[MassBank:KOX00160|Chlorogenate]]&nbsp;  
+
| C8H5O || 117 || 1 || [[MassBank:KOX00160|C063]]&nbsp;  
 
|-
 
|-
  
−
| C8H14N2O3P || 217 || 1 || [[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;  
+
| C8H14N2O3P || 217 || 1 || [[MassBank:KOX00536|P113]]&nbsp;  
 
|-
 
|-
  
−
| C2H9N3O3P || 154 || 1 || [[MassBank:KOX00843|Phosphocreatine]]&nbsp;  
+
| C2H9N3O3P || 154 || 1 || [[MassBank:KOX00843|P084]]&nbsp;  
 
|-
 
|-
  
−
| C21H15O6 || 363 || 1 || [[MassBank:KOX00715|Daunorubicin]]&nbsp;  
+
| C21H15O6 || 363 || 1 || [[MassBank:KOX00715|D106]]&nbsp;  
 
|-
 
|-
  
−
| C4H4 || 52 || 5 || [[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;  
+
| C4H4 || 52 || 5 || [[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;  
 
|-
 
|-
  
−
| C2H8NO2S || 110 || 1 || [[MassBank:KOX00319|Hypotaurine]]&nbsp;  
+
| C2H8NO2S || 110 || 1 || [[MassBank:KOX00319|H017]]&nbsp;  
 
|-
 
|-
  
−
| C5H10NO3 || 132 || 5 || [[MassBank:KOX00083|N-Acetyl-b-alanine]]&nbsp;[[MassBank:KOX00288|Glucosaminate]]&nbsp;[[MassBank:KOX00335|cis-4-Hydroxyproline]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00744|Hydroxyproline]]&nbsp;  
+
| C5H10NO3 || 132 || 5 || [[MassBank:KOX00083|A138]]&nbsp;[[MassBank:KOX00288|G061]]&nbsp;[[MassBank:KOX00335|H048]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00744|H004]]&nbsp;  
 
|-
 
|-
  
−
| C4H5N2O || 97 || 5 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;[[MassBank:KOX00126|Biotin]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;[[MassBank:KOX00846|Pyrazinamide]]&nbsp;  
+
| C4H5N2O || 97 || 5 || [[MassBank:KOX00104|A196]]&nbsp;[[MassBank:KOX00126|B020]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00737|G039]]&nbsp;[[MassBank:KOX00846|P098]]&nbsp;  
 
|-
 
|-
  
−
| C4H12O4P || 155 || 1 || [[MassBank:KOX00218|Diethyl phsophate]]&nbsp;  
+
| C4H12O4P || 155 || 1 || [[MassBank:KOX00218|D141]]&nbsp;  
 
|-
 
|-
  
−
| C5H4NO3 || 126 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C5H4NO3 || 126 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C11H18NO8 || 292 || 1 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;  
+
| C11H18NO8 || 292 || 1 || [[MassBank:KOX00016|A018]]&nbsp;  
 
|-
 
|-
  
−
| C2H8NO3S || 126 || 3 || [[MassBank:KOX00584|Taurine]]&nbsp;[[MassBank:KOX00601|Taurocholate]]&nbsp;[[MassBank:KOX00613|Taurolithocholate]]&nbsp;  
+
| C2H8NO3S || 126 || 3 || [[MassBank:KOX00584|T004]]&nbsp;[[MassBank:KOX00601|T043]]&nbsp;[[MassBank:KOX00613|T072]]&nbsp;  
 
|-
 
|-
  
−
| C9H8IO3 || 291 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C9H8IO3 || 291 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C17H18N3O5S || 376 || 1 || [[MassBank:KOX00504|Piperacillin]]&nbsp;  
+
| C17H18N3O5S || 376 || 1 || [[MassBank:KOX00504|P039]]&nbsp;  
 
|-
 
|-
  
−
| C5H5 || 65 || 85 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00073|Acetanilide]]&nbsp;[[MassBank:KOX00107|4-Aminophenylsulfone]]&nbsp;[[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00120|6-Benzylaminopurine]]&nbsp;[[MassBank:KOX00131|Bentazon]]&nbsp;[[MassBank:KOX00154|Carbazole]]&nbsp;[[MassBank:KOX00189|Dopamine]]&nbsp;[[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;[[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;[[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00328|Harman]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00371|Isatin]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00467|p-Nitroaniline]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;[[MassBank:KOX00558|Suberate]]&nbsp;[[MassBank:KOX00577|Sulfathiazole]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;[[MassBank:KOX00628|Xanthurenate]]&nbsp;[[MassBank:KOX00635|Z-Gly-Pro]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00656|2-Aminophenol]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;[[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00689|Cystathionine]]&nbsp;[[MassBank:KOX00693|Carbendazim]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00704|Diphenylamine]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00718|Diethyl-2-phenylacetamide]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;[[MassBank:KOX00724|N-Ethylmaleimide]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;[[MassBank:KOX00784|Mecamylamine]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00789|N-Methylaniline]]&nbsp;[[MassBank:KOX00790|N-Methyl-N-propagylbenzylamine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00823|1,3-Phenylenediamine]]&nbsp;[[MassBank:KOX00828|Phenylethylamine]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00853|Prowl (TM)]]&nbsp;[[MassBank:KOX00854|Procaine]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;[[MassBank:KOX00863|Sulfanilamide]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;[[MassBank:KOX00877|Thiabendazole]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;[[MassBank:KOX00883|Tolmetin]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C5H5 || 65 || 85 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00073|A130]]&nbsp;[[MassBank:KOX00107|A220]]&nbsp;[[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00120|B015]]&nbsp;[[MassBank:KOX00131|B072]]&nbsp;[[MassBank:KOX00154|C040]]&nbsp;[[MassBank:KOX00189|D046]]&nbsp;[[MassBank:KOX00201|D057]]&nbsp;[[MassBank:KOX00221|D166]]&nbsp;[[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00328|H029]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00371|I019]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00467|N012]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00536|P113]]&nbsp;[[MassBank:KOX00558|S013]]&nbsp;[[MassBank:KOX00577|S079]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;[[MassBank:KOX00628|X004]]&nbsp;[[MassBank:KOX00635|Z003]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00656|A114]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;[[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00689|C047]]&nbsp;[[MassBank:KOX00693|C170]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00704|D044]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00718|D122]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;[[MassBank:KOX00724|E008]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00775|M013]]&nbsp;[[MassBank:KOX00784|M039]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00789|M066]]&nbsp;[[MassBank:KOX00790|M071]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00805|M150]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00823|P035]]&nbsp;[[MassBank:KOX00828|P047]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00853|P183]]&nbsp;[[MassBank:KOX00854|P190]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;[[MassBank:KOX00863|S016]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;[[MassBank:KOX00877|T028]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;[[MassBank:KOX00883|T044]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C8H7O3 || 151 || 2 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C8H7O3 || 151 || 2 || [[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C7H14N || 112 || 5 || [[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00830|Pseudopelletierine]]&nbsp;[[MassBank:KOX00861|Spermidine]]&nbsp;[[MassBank:KOX00862|Spermine]]&nbsp;  
+
| C7H14N || 112 || 5 || [[MassBank:KOX00654|A111]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00830|P054]]&nbsp;[[MassBank:KOX00861|S003]]&nbsp;[[MassBank:KOX00862|S011]]&nbsp;  
 
|-
 
|-
  
−
| C14H11INO2 || 352 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C14H11INO2 || 352 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C5H4N4S || 152 || 1 || [[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;  
+
| C5H4N4S || 152 || 1 || [[MassBank:KOX00451|M104]]&nbsp;  
 
|-
 
|-
  
−
| C5H11N4S || 159 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C5H11N4S || 159 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C2H3O || 43 || 1 || [[MassBank:KOX00644|Acetylcholine]]&nbsp;  
+
| C2H3O || 43 || 1 || [[MassBank:KOX00644|A060]]&nbsp;  
 
|-
 
|-
  
−
| C8H6NO || 132 || 2 || [[MassBank:KOX00628|Xanthurenate]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;  
+
| C8H6NO || 132 || 2 || [[MassBank:KOX00628|X004]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;  
 
|-
 
|-
  
−
| C20H31N6O11S2 || 595 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C20H31N6O11S2 || 595 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C9H15N2O2 || 183 || 1 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;  
+
| C9H15N2O2 || 183 || 1 || [[MassBank:KOX00069|A127]]&nbsp;  
 
|-
 
|-
  
−
| C24H48NO7 || 462 || 1 || [[MassBank:KOX00518|Psychosine]]&nbsp;  
+
| C24H48NO7 || 462 || 1 || [[MassBank:KOX00518|P067]]&nbsp;  
 
|-
 
|-
  
−
| C11H16NO8 || 290 || 1 || [[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C11H16NO8 || 290 || 1 || [[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C6H16NO3 || 150 || 1 || [[MassBank:KOX00874|Triethanolamine]]&nbsp;  
+
| C6H16NO3 || 150 || 1 || [[MassBank:KOX00874|T022]]&nbsp;  
 
|-
 
|-
  
−
| C13H12N3 || 210 || 1 || [[MassBank:KOX00694|Cyprodinil]]&nbsp;  
+
| C13H12N3 || 210 || 1 || [[MassBank:KOX00694|C172]]&nbsp;  
 
|-
 
|-
  
−
| C5H7O4S || 163 || 1 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;  
+
| C5H7O4S || 163 || 1 || [[MassBank:KOX00048|A059]]&nbsp;  
 
|-
 
|-
  
−
| C6H4Cl || 111 || 1 || [[MassBank:KOX00616|Triadimefon]]&nbsp;  
+
| C6H4Cl || 111 || 1 || [[MassBank:KOX00616|T112]]&nbsp;  
 
|-
 
|-
  
−
| C6H15N2O2 || 147 || 3 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00393|Lys]]&nbsp;[[MassBank:KOX00688|Carbachol]]&nbsp;  
+
| C6H15N2O2 || 147 || 3 || [[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00393|L004]]&nbsp;[[MassBank:KOX00688|C044]]&nbsp;  
 
|-
 
|-
  
−
| C15H9N || 203 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C15H9N || 203 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C8H7 || 103 || 28 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00738|Gramine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00763|Isoquinoline]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00828|Phenylethylamine]]&nbsp;[[MassBank:KOX00860|Quinoline]]&nbsp;[[MassBank:KOX00865|Scopolamine]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;  
+
| C8H7 || 103 || 28 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00738|G041]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00763|I067]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00828|P047]]&nbsp;[[MassBank:KOX00860|Q008]]&nbsp;[[MassBank:KOX00865|S040]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;  
 
|-
 
|-
  
−
| C6H4NO || 106 || 8 || [[MassBank:KOX00462|Nicotinate]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;[[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;[[MassBank:KOX00826|2-Picolate]]&nbsp;[[MassBank:KOX00847|Picolinamide]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;  
+
| C6H4NO || 106 || 8 || [[MassBank:KOX00462|N004]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;[[MassBank:KOX00730|F013]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;[[MassBank:KOX00826|P045]]&nbsp;[[MassBank:KOX00847|P099]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;  
 
|-
 
|-
  
−
| C30H47O4 || 471 || 2 || [[MassBank:KOX00286|Glycyrrhizate]]&nbsp;[[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C30H47O4 || 471 || 2 || [[MassBank:KOX00286|G057]]&nbsp;[[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C8H15N2O3 || 187 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C8H15N2O3 || 187 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C8H7N4 || 159 || 2 || [[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;  
+
| C8H7N4 || 159 || 2 || [[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;  
 
|-
 
|-
  
−
| C10H9 || 129 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C10H9 || 129 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N3O || 112 || 4 || [[MassBank:KOX00145|Cytosine]]&nbsp;[[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;[[MassBank:KOX00197|2'-Deoxycytidine]]&nbsp;[[MassBank:KOX00631|Zalcitabine]]&nbsp;  
+
| C4H6N3O || 112 || 4 || [[MassBank:KOX00145|C033]]&nbsp;[[MassBank:KOX00174|C119]]&nbsp;[[MassBank:KOX00197|D055]]&nbsp;[[MassBank:KOX00631|Z001]]&nbsp;  
 
|-
 
|-
  
−
| C8H7O2 || 135 || 8 || [[MassBank:KOX00160|Chlorogenate]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;[[MassBank:KOX00892|Terbutaline]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C8H7O2 || 135 || 8 || [[MassBank:KOX00160|C063]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;[[MassBank:KOX00892|T126]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C13H8N || 178 || 1 || [[MassBank:KOX00213|Diclofenac]]&nbsp;  
+
| C13H8N || 178 || 1 || [[MassBank:KOX00213|D128]]&nbsp;  
 
|-
 
|-
  
−
| C4H8NO2S || 134 || 2 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;[[MassBank:KOX00689|Cystathionine]]&nbsp;  
+
| C4H8NO2S || 134 || 2 || [[MassBank:KOX00048|A059]]&nbsp;[[MassBank:KOX00689|C047]]&nbsp;  
 
|-
 
|-
  
−
| C26H40NO4 || 430 || 1 || [[MassBank:KOX00284|Glycocholate]]&nbsp;  
+
| C26H40NO4 || 430 || 1 || [[MassBank:KOX00284|G050]]&nbsp;  
 
|-
 
|-
  
−
| C11H23N2O7 || 295 || 1 || [[MassBank:KOX00547|Ribostamycin]]&nbsp;  
+
| C11H23N2O7 || 295 || 1 || [[MassBank:KOX00547|R016]]&nbsp;  
 
|-
 
|-
  
−
| C8H11N2O2 || 167 || 1 || [[MassBank:KOX00281|Glu-Glu]]&nbsp;  
+
| C8H11N2O2 || 167 || 1 || [[MassBank:KOX00281|G043]]&nbsp;  
 
|-
 
|-
  
−
| CH6O3P || 97 || 1 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;  
+
| CH6O3P || 97 || 1 || [[MassBank:KOX00045|A056]]&nbsp;  
 
|-
 
|-
  
−
| C7H4NO3 || 150 || 2 || [[MassBank:KOX00131|Bentazon]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;  
+
| C7H4NO3 || 150 || 2 || [[MassBank:KOX00131|B072]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;  
 
|-
 
|-
  
−
| C13H15N2O || 215 || 1 || [[MassBank:KOX00325|Harmaline]]&nbsp;  
+
| C13H15N2O || 215 || 1 || [[MassBank:KOX00325|H027]]&nbsp;  
 
|-
 
|-
  
−
| C13H12N || 182 || 1 || [[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;  
+
| C13H12N || 182 || 1 || [[MassBank:KOX00657|A123]]&nbsp;  
 
|-
 
|-
  
−
| C8H12N5 || 178 || 1 || [[MassBank:KOX00420|Minoxidil]]&nbsp;  
+
| C8H12N5 || 178 || 1 || [[MassBank:KOX00420|M035]]&nbsp;  
 
|-
 
|-
  
−
| C9H7 || 115 || 18 || [[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00328|Harman]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00471|Naproxen]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;  
+
| C9H7 || 115 || 18 || [[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00328|H029]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00471|N018]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;  
 
|-
 
|-
  
−
| C7H9N4O2 || 181 || 4 || [[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00596|Theophylline]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C7H9N4O2 || 181 || 4 || [[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00596|T029]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C14H9 || 177 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C14H9 || 177 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C5H4NO || 94 || 3 || [[MassBank:KOX00317|6-Hydroxynicotinate]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;  
+
| C5H4NO || 94 || 3 || [[MassBank:KOX00317|H015]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;  
 
|-
 
|-
  
−
| C6H9O2S || 145 || 1 || [[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;  
+
| C6H9O2S || 145 || 1 || [[MassBank:KOX00707|D067]]&nbsp;  
 
|-
 
|-
  
−
| C7H14NO3S || 192 || 1 || [[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;  
+
| C7H14NO3S || 192 || 1 || [[MassBank:KOX00051|A065]]&nbsp;  
 
|-
 
|-
  
−
| C7H7N4 || 147 || 1 || [[MassBank:KOX00420|Minoxidil]]&nbsp;  
+
| C7H7N4 || 147 || 1 || [[MassBank:KOX00420|M035]]&nbsp;  
 
|-
 
|-
  
−
| C5H6N3O || 124 || 6 || [[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00596|Theophylline]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00846|Pyrazinamide]]&nbsp;  
+
| C5H6N3O || 124 || 6 || [[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00596|T029]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00846|P098]]&nbsp;  
 
|-
 
|-
  
−
| C6H15O12P2 || 341 || 1 || [[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;  
+
| C6H15O12P2 || 341 || 1 || [[MassBank:KOX00241|F008]]&nbsp;  
 
|-
 
|-
  
−
| C14H12NO || 210 || 1 || [[MassBank:KOX00796|Methotrimeprazine]]&nbsp;  
+
| C14H12NO || 210 || 1 || [[MassBank:KOX00796|M099]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N2O4 || 225 || 1 || [[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;  
+
| C10H13N2O4 || 225 || 1 || [[MassBank:KOX00748|H050]]&nbsp;  
 
|-
 
|-
  
−
| C6H10NO3 || 144 || 13 || [[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;[[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00064|a-Aminoadipate]]&nbsp;[[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00440|N-Methylglutamate]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;  
+
| C6H10NO3 || 144 || 13 || [[MassBank:KOX00022|A031]]&nbsp;[[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00064|A110]]&nbsp;[[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00440|M067]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;  
 
|-
 
|-
  
−
| C7H12NO5 || 190 || 1 || [[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;  
+
| C7H12NO5 || 190 || 1 || [[MassBank:KOX00022|A031]]&nbsp;  
 
|-
 
|-
  
−
| C5H9N2O3S || 177 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C5H9N2O3S || 177 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C8H16NO3 || 174 || 1 || [[MassBank:KOX00090|N-Acetylleucine]]&nbsp;  
+
| C8H16NO3 || 174 || 1 || [[MassBank:KOX00090|A145]]&nbsp;  
 
|-
 
|-
  
−
| C20H37N6O3 || 409 || 1 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;  
+
| C20H37N6O3 || 409 || 1 || [[MassBank:KOX00396|L006]]&nbsp;  
 
|-
 
|-
  
−
| C20H17FO2S || 340 || 1 || [[MassBank:KOX00869|Sulindac]]&nbsp;  
+
| C20H17FO2S || 340 || 1 || [[MassBank:KOX00869|S054]]&nbsp;  
 
|-
 
|-
  
−
| C6H7 || 79 || 30 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00126|Biotin]]&nbsp;[[MassBank:KOX00160|Chlorogenate]]&nbsp;[[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00671|Benzamide]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00770|a-Lipoamide]]&nbsp;[[MassBank:KOX00784|Mecamylamine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00828|Phenylethylamine]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;[[MassBank:KOX00865|Scopolamine]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;[[MassBank:KOX00892|Terbutaline]]&nbsp;[[MassBank:KOX00902|Albendazole]]&nbsp;  
+
| C6H7 || 79 || 30 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00126|B020]]&nbsp;[[MassBank:KOX00160|C063]]&nbsp;[[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00536|P113]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00671|B009]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00770|L031]]&nbsp;[[MassBank:KOX00784|M039]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00828|P047]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;[[MassBank:KOX00865|S040]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;[[MassBank:KOX00892|T126]]&nbsp;[[MassBank:KOX00902|A082]]&nbsp;  
 
|-
 
|-
  
−
| C14H11NO || 209 || 1 || [[MassBank:KOX00449|Mefenamate]]&nbsp;  
+
| C14H11NO || 209 || 1 || [[MassBank:KOX00449|M089]]&nbsp;  
 
|-
 
|-
  
−
| C13H19N2O || 219 || 1 || [[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;  
+
| C13H19N2O || 219 || 1 || [[MassBank:KOX00798|M103]]&nbsp;  
 
|-
 
|-
  
−
| C4H4NO || 82 || 3 || [[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00590|Thymine]]&nbsp;[[MassBank:KOX00779|5-Methylcytosine]]&nbsp;  
+
| C4H4NO || 82 || 3 || [[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00590|T015]]&nbsp;[[MassBank:KOX00779|M029]]&nbsp;  
 
|-
 
|-
  
−
| C5H9O4 || 133 || 4 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;[[MassBank:KOX00787|1-Methyladenosine]]&nbsp;[[MassBank:KOX00893|Uridine]]&nbsp;  
+
| C5H9O4 || 133 || 4 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00174|C119]]&nbsp;[[MassBank:KOX00787|M051]]&nbsp;[[MassBank:KOX00893|U006]]&nbsp;  
 
|-
 
|-
  
−
| C3H9N2O2 || 105 || 3 || [[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00279|Gly-Gly]]&nbsp;[[MassBank:KOX00701|2,3-Diaminopropionate]]&nbsp;  
+
| C3H9N2O2 || 105 || 3 || [[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00279|G037]]&nbsp;[[MassBank:KOX00701|D037]]&nbsp;  
 
|-
 
|-
  
−
| C2H2F2N || 78 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C2H2F2N || 78 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C4H8NO3 || 118 || 1 || [[MassBank:KOX00167|Canavanine]]&nbsp;  
+
| C4H8NO3 || 118 || 1 || [[MassBank:KOX00167|C094]]&nbsp;  
 
|-
 
|-
  
−
| C2H6O3P || 109 || 1 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;  
+
| C2H6O3P || 109 || 1 || [[MassBank:KOX00045|A056]]&nbsp;  
 
|-
 
|-
  
−
| C3H4N2 || 68 || 3 || [[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00802|4-Methylpyrazole]]&nbsp;[[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C3H4N2 || 68 || 3 || [[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00802|M124]]&nbsp;[[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C26H44NO6 || 466 || 1 || [[MassBank:KOX00284|Glycocholate]]&nbsp;  
+
| C26H44NO6 || 466 || 1 || [[MassBank:KOX00284|G050]]&nbsp;  
 
|-
 
|-
  
−
| C19H14O3 || 290 || 1 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;  
+
| C19H14O3 || 290 || 1 || [[MassBank:KOX00658|A137]]&nbsp;  
 
|-
 
|-
  
−
| C6H7O2 || 111 || 3 || [[MassBank:KOX00368|Isoguvacine]]&nbsp;[[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;  
+
| C6H7O2 || 111 || 3 || [[MassBank:KOX00368|I015]]&nbsp;[[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;  
 
|-
 
|-
  
−
| C10H10ClO2 || 197 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C10H10ClO2 || 197 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C6H13N2O3 || 161 || 2 || [[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C6H13N2O3 || 161 || 2 || [[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C10H19N4O6 || 291 || 1 || [[MassBank:KOX00029|Argininosuccinate]]&nbsp;  
+
| C10H19N4O6 || 291 || 1 || [[MassBank:KOX00029|A039]]&nbsp;  
 
|-
 
|-
  
−
| C5H11OS || 119 || 1 || [[MassBank:KOX00729|Ethionine]]&nbsp;  
+
| C5H11OS || 119 || 1 || [[MassBank:KOX00729|E056]]&nbsp;  
 
|-
 
|-
  
−
| C11H18NO7 || 276 || 1 || [[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;  
+
| C11H18NO7 || 276 || 1 || [[MassBank:KOX00102|A191]]&nbsp;  
 
|-
 
|-
  
−
| C10H10N2O9P || 333 || 1 || [[MassBank:KOX00483|Orotidine 5'-monophosphate]]&nbsp;  
+
| C10H10N2O9P || 333 || 1 || [[MassBank:KOX00483|O015]]&nbsp;  
 
|-
 
|-
  
−
| C5H4Cl || 99 || 2 || [[MassBank:KOX00616|Triadimefon]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C5H4Cl || 99 || 2 || [[MassBank:KOX00616|T112]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C4H12N5 || 130 || 1 || [[MassBank:KOX00781|Metformin]]&nbsp;  
+
| C4H12N5 || 130 || 1 || [[MassBank:KOX00781|M032]]&nbsp;  
 
|-
 
|-
  
−
| C27H30NO10 || 528 || 1 || [[MassBank:KOX00715|Daunorubicin]]&nbsp;  
+
| C27H30NO10 || 528 || 1 || [[MassBank:KOX00715|D106]]&nbsp;  
 
|-
 
|-
  
−
| C7H7 || 91 || 57 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00120|6-Benzylaminopurine]]&nbsp;[[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00126|Biotin]]&nbsp;[[MassBank:KOX00154|Carbazole]]&nbsp;[[MassBank:KOX00189|Dopamine]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00238|Etodolac]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00471|Naproxen]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00558|Suberate]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00635|Z-Gly-Pro]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00667|DAMGO]]&nbsp;[[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00718|Diethyl-2-phenylacetamide]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00731|Fenfluramine]]&nbsp;[[MassBank:KOX00738|Gramine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00770|a-Lipoamide]]&nbsp;[[MassBank:KOX00790|N-Methyl-N-propagylbenzylamine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;[[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;[[MassBank:KOX00883|Tolmetin]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;  
+
| C7H7 || 91 || 57 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00120|B015]]&nbsp;[[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00126|B020]]&nbsp;[[MassBank:KOX00154|C040]]&nbsp;[[MassBank:KOX00189|D046]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00238|E034]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00471|N018]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00558|S013]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00635|Z003]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00667|A226]]&nbsp;[[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00718|D122]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00731|F016]]&nbsp;[[MassBank:KOX00738|G041]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00770|L031]]&nbsp;[[MassBank:KOX00790|M071]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;[[MassBank:KOX00857|P206]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;[[MassBank:KOX00883|T044]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;  
 
|-
 
|-
  
−
| C10H10N5O || 216 || 1 || [[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;  
+
| C10H10N5O || 216 || 1 || [[MassBank:KOX00245|F014]]&nbsp;  
 
|-
 
|-
  
−
| C13H10ClN || 215 || 1 || [[MassBank:KOX00213|Diclofenac]]&nbsp;  
+
| C13H10ClN || 215 || 1 || [[MassBank:KOX00213|D128]]&nbsp;  
 
|-
 
|-
  
−
| C12H10NO || 184 || 1 || [[MassBank:KOX00133|Bumetanide]]&nbsp;  
+
| C12H10NO || 184 || 1 || [[MassBank:KOX00133|B093]]&nbsp;  
 
|-
 
|-
  
−
| C13H23N4O3S || 315 || 1 || [[MassBank:KOX00552|Ranitidine]]&nbsp;  
+
| C13H23N4O3S || 315 || 1 || [[MassBank:KOX00552|R041]]&nbsp;  
 
|-
 
|-
  
−
| C6H9O4 || 145 || 5 || [[MassBank:KOX00272|Glucose 1-phosphate]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00659|O-Acetylcarnitine]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;  
+
| C6H9O4 || 145 || 5 || [[MassBank:KOX00272|G020]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00659|A143]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;  
 
|-
 
|-
  
−
| C7H18N5O || 188 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C7H18N5O || 188 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C7H7N2O3S || 199 || 1 || [[MassBank:KOX00131|Bentazon]]&nbsp;  
+
| C7H7N2O3S || 199 || 1 || [[MassBank:KOX00131|B072]]&nbsp;  
 
|-
 
|-
  
−
| C7H9ClNO || 158 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C7H9ClNO || 158 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C9H16N3O4 || 230 || 1 || [[MassBank:KOX00478|Octopine]]&nbsp;  
+
| C9H16N3O4 || 230 || 1 || [[MassBank:KOX00478|O009]]&nbsp;  
 
|-
 
|-
  
−
| C8H10NO3 || 168 || 3 || [[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;  
+
| C8H10NO3 || 168 || 3 || [[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;  
 
|-
 
|-
  
−
| C20H39N6O4 || 427 || 1 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;  
+
| C20H39N6O4 || 427 || 1 || [[MassBank:KOX00396|L006]]&nbsp;  
 
|-
 
|-
  
−
| C14H10NO || 208 || 1 || [[MassBank:KOX00449|Mefenamate]]&nbsp;  
+
| C14H10NO || 208 || 1 || [[MassBank:KOX00449|M089]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N4O3 || 237 || 1 || [[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C10H13N4O3 || 237 || 1 || [[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C6H12NO7P2S || 304 || 1 || [[MassBank:KOX00162|Cocarboxylase]]&nbsp;  
+
| C6H12NO7P2S || 304 || 1 || [[MassBank:KOX00162|C077]]&nbsp;  
 
|-
 
|-
  
−
| CH5O9P2 || 223 || 1 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;  
+
| CH5O9P2 || 223 || 1 || [[MassBank:KOX00185|D017]]&nbsp;  
 
|-
 
|-
  
−
| C4H5 || 53 || 32 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;[[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00462|Nicotinate]]&nbsp;[[MassBank:KOX00474|L-Ornithine]]&nbsp;[[MassBank:KOX00487|Pro]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00672|Buformin]]&nbsp;[[MassBank:KOX00691|Cyclohexylamine]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00752|Eflornithine]]&nbsp;[[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;[[MassBank:KOX00784|Mecamylamine]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00817|Nalidixate]]&nbsp;[[MassBank:KOX00825|Pyridine]]&nbsp;[[MassBank:KOX00853|Prowl (TM)]]&nbsp;[[MassBank:KOX00863|Sulfanilamide]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C4H5 || 53 || 32 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00241|F008]]&nbsp;[[MassBank:KOX00245|F014]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00462|N004]]&nbsp;[[MassBank:KOX00474|O003]]&nbsp;[[MassBank:KOX00487|P003]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00672|B010]]&nbsp;[[MassBank:KOX00691|C114]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00752|H097]]&nbsp;[[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00775|M013]]&nbsp;[[MassBank:KOX00784|M039]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00817|N067]]&nbsp;[[MassBank:KOX00825|P041]]&nbsp;[[MassBank:KOX00853|P183]]&nbsp;[[MassBank:KOX00863|S016]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C20H17O4 || 321 || 1 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;  
+
| C20H17O4 || 321 || 1 || [[MassBank:KOX00658|A137]]&nbsp;  
 
|-
 
|-
  
−
| C23H25N2O7 || 441 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C23H25N2O7 || 441 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C7H9O4 || 157 || 2 || [[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00281|Glu-Glu]]&nbsp;  
+
| C7H9O4 || 157 || 2 || [[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00281|G043]]&nbsp;  
 
|-
 
|-
  
−
| C11H14ClO || 197 || 1 || [[MassBank:KOX00616|Triadimefon]]&nbsp;  
+
| C11H14ClO || 197 || 1 || [[MassBank:KOX00616|T112]]&nbsp;  
 
|-
 
|-
  
−
| C4H7N4 || 111 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C4H7N4 || 111 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C12H13N4O3 || 261 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C12H13N4O3 || 261 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C3H4N2S || 100 || 1 || [[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;  
+
| C3H4N2S || 100 || 1 || [[MassBank:KOX00803|M126]]&nbsp;  
 
|-
 
|-
  
−
| C15H23N2O2 || 263 || 1 || [[MassBank:KOX00122|Bestatin]]&nbsp;  
+
| C15H23N2O2 || 263 || 1 || [[MassBank:KOX00122|B018]]&nbsp;  
 
|-
 
|-
  
−
| C11H12N || 158 || 1 || [[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;  
+
| C11H12N || 158 || 1 || [[MassBank:KOX00377|I025]]&nbsp;  
 
|-
 
|-
  
−
| C4H7O2 || 87 || 7 || [[MassBank:KOX00002|GABA]]&nbsp;[[MassBank:KOX00039|a-Aminoisobutyrate]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00644|Acetylcholine]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00696|g-Butyrobetaine]]&nbsp;  
+
| C4H7O2 || 87 || 7 || [[MassBank:KOX00002|A002]]&nbsp;[[MassBank:KOX00039|A048]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00644|A060]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00696|C220]]&nbsp;  
 
|-
 
|-
  
−
| C2H5N2 || 57 || 4 || [[MassBank:KOX00036|3-Amino-1,2,4-triazole]]&nbsp;[[MassBank:KOX00181|Cimetidine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00904|Acetohydrazide]]&nbsp;  
+
| C2H5N2 || 57 || 4 || [[MassBank:KOX00036|A045]]&nbsp;[[MassBank:KOX00181|C208]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00904|A166]]&nbsp;  
 
|-
 
|-
  
−
| CH3OS || 63 || 2 || [[MassBank:KOX00319|Hypotaurine]]&nbsp;[[MassBank:KOX00454|Methionine sulfoximine]]&nbsp;  
+
| CH3OS || 63 || 2 || [[MassBank:KOX00319|H017]]&nbsp;[[MassBank:KOX00454|M114]]&nbsp;  
 
|-
 
|-
  
−
| C11H12NO2 || 190 || 2 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;  
+
| C11H12NO2 || 190 || 2 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;  
 
|-
 
|-
  
−
| CHCl2 || 83 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| CHCl2 || 83 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N3O || 128 || 3 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00894|Velpar]]&nbsp;  
+
| C5H10N3O || 128 || 3 || [[MassBank:KOX00104|A196]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00894|V020]]&nbsp;  
 
|-
 
|-
  
−
| C11H8N || 154 || 1 || [[MassBank:KOX00832|o-Phenanthroline]]&nbsp;  
+
| C11H8N || 154 || 1 || [[MassBank:KOX00832|P057]]&nbsp;  
 
|-
 
|-
  
−
| C11H14NO3 || 208 || 1 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;  
+
| C11H14NO3 || 208 || 1 || [[MassBank:KOX00053|A067]]&nbsp;  
 
|-
 
|-
  
−
| C4H13N2 || 89 || 1 || [[MassBank:KOX00669|1,4-Butanediamine]]&nbsp;  
+
| C4H13N2 || 89 || 1 || [[MassBank:KOX00669|B001]]&nbsp;  
 
|-
 
|-
  
−
| C3H5 || 41 || 2 || [[MassBank:KOX00909|Isobutylamine]]&nbsp;[[MassBank:KOX00913|Pyrimidine]]&nbsp;  
+
| C3H5 || 41 || 2 || [[MassBank:KOX00909|I064]]&nbsp;[[MassBank:KOX00913|P042]]&nbsp;  
 
|-
 
|-
  
−
| C10H15 || 135 || 2 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;  
+
| C10H15 || 135 || 2 || [[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;  
 
|-
 
|-
  
−
| C6H16N4O5P || 255 || 1 || [[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| C6H16N4O5P || 255 || 1 || [[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C5H13NO3PS || 198 || 1 || [[MassBank:KOX00661|Amifostine]]&nbsp;  
+
| C5H13NO3PS || 198 || 1 || [[MassBank:KOX00661|A170]]&nbsp;  
 
|-
 
|-
  
−
| C18H37N4O11 || 485 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C18H37N4O11 || 485 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C3H7N4 || 99 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C3H7N4 || 99 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C9H16N5O || 210 || 1 || [[MassBank:KOX00420|Minoxidil]]&nbsp;  
+
| C9H16N5O || 210 || 1 || [[MassBank:KOX00420|M035]]&nbsp;  
 
|-
 
|-
  
−
| C13H10N || 180 || 4 || [[MassBank:KOX00213|Diclofenac]]&nbsp;[[MassBank:KOX00238|Etodolac]]&nbsp;[[MassBank:KOX00449|Mefenamate]]&nbsp;[[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C13H10N || 180 || 4 || [[MassBank:KOX00213|D128]]&nbsp;[[MassBank:KOX00238|E034]]&nbsp;[[MassBank:KOX00449|M089]]&nbsp;[[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C7H7O2 || 123 || 5 || [[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;  
+
| C7H7O2 || 123 || 5 || [[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00536|P113]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;  
 
|-
 
|-
  
−
| C7H12NO3 || 158 || 3 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C7H12NO3 || 158 || 3 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C10H12NO || 162 || 4 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;  
+
| C10H12NO || 162 || 4 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;  
 
|-
 
|-
  
−
| C4H9N2S || 117 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C4H9N2S || 117 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C9H8NO3S || 210 || 1 || [[MassBank:KOX00520|Piroxicam]]&nbsp;  
+
| C9H8NO3S || 210 || 1 || [[MassBank:KOX00520|P068]]&nbsp;  
 
|-
 
|-
  
−
| C9H17O6 || 221 || 1 || [[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;  
+
| C9H17O6 || 221 || 1 || [[MassBank:KOX00102|A191]]&nbsp;  
 
|-
 
|-
  
−
| C2H4O4P || 123 || 5 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;[[MassBank:KOX00489|Phosphoenolpyruvate]]&nbsp;[[MassBank:KOX00496|2-Phosphoglycerate]]&nbsp;[[MassBank:KOX00821|3-Phosphoglycerate]]&nbsp;[[MassBank:KOX00842|Phosphonoacetate]]&nbsp;  
+
| C2H4O4P || 123 || 5 || [[MassBank:KOX00185|D017]]&nbsp;[[MassBank:KOX00489|P007]]&nbsp;[[MassBank:KOX00496|P029]]&nbsp;[[MassBank:KOX00821|P028]]&nbsp;[[MassBank:KOX00842|P082]]&nbsp;  
 
|-
 
|-
  
−
| C4H3N2 || 79 || 3 || [[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00846|Pyrazinamide]]&nbsp;  
+
| C4H3N2 || 79 || 3 || [[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00846|P098]]&nbsp;  
 
|-
 
|-
  
−
| C26H44NO6S || 498 || 1 || [[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C26H44NO6S || 498 || 1 || [[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| C3H9NO6P || 186 || 1 || [[MassBank:KOX00833|O-Phosphoserine]]&nbsp;  
+
| C3H9NO6P || 186 || 1 || [[MassBank:KOX00833|P060]]&nbsp;  
 
|-
 
|-
  
−
| C10H9Cl2N2O3 || 275 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C10H9Cl2N2O3 || 275 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| CH5N2O || 61 || 1 || [[MassBank:KOX00914|Urea]]&nbsp;  
+
| CH5N2O || 61 || 1 || [[MassBank:KOX00914|U005]]&nbsp;  
 
|-
 
|-
  
−
| C4H10N || 72 || 25 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00100|2-Amino-2-methylbutanoate]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00464|Norvaline]]&nbsp;[[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00623|Val]]&nbsp;[[MassBank:KOX00641|N-Acetylputrescine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00653|Agmatine]]&nbsp;[[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00669|1,4-Butanediamine]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00773|b-Leucine]]&nbsp;[[MassBank:KOX00818|D-Ornithine]]&nbsp;[[MassBank:KOX00820|Oleandomycin]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;[[MassBank:KOX00854|Procaine]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;[[MassBank:KOX00861|Spermidine]]&nbsp;[[MassBank:KOX00862|Spermine]]&nbsp;[[MassBank:KOX00908|Hexylamine]]&nbsp;  
+
| C4H10N || 72 || 25 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00100|A189]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00464|N009]]&nbsp;[[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00623|V001]]&nbsp;[[MassBank:KOX00641|A051]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00653|A104]]&nbsp;[[MassBank:KOX00654|A111]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00669|B001]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00773|L057]]&nbsp;[[MassBank:KOX00818|O005]]&nbsp;[[MassBank:KOX00820|O016]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;[[MassBank:KOX00854|P190]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;[[MassBank:KOX00861|S003]]&nbsp;[[MassBank:KOX00862|S011]]&nbsp;[[MassBank:KOX00908|H024]]&nbsp;  
 
|-
 
|-
  
−
| C14H16N3 || 226 || 1 || [[MassBank:KOX00694|Cyprodinil]]&nbsp;  
+
| C14H16N3 || 226 || 1 || [[MassBank:KOX00694|C172]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N2O3 || 209 || 1 || [[MassBank:KOX00766|Kynurenine]]&nbsp;  
+
| C10H13N2O3 || 209 || 1 || [[MassBank:KOX00766|K004]]&nbsp;  
 
|-
 
|-
  
−
| C6H11O5 || 163 || 5 || [[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00712|Dimethyl malate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;  
+
| C6H11O5 || 163 || 5 || [[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00712|D083]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;  
 
|-
 
|-
  
−
| C8H12NO3 || 170 || 4 || [[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00892|Terbutaline]]&nbsp;  
+
| C8H12NO3 || 170 || 4 || [[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00892|T126]]&nbsp;  
 
|-
 
|-
  
−
| C6H10O7P || 225 || 6 || [[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;[[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00272|Glucose 1-phosphate]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;  
+
| C6H10O7P || 225 || 6 || [[MassBank:KOX00241|F008]]&nbsp;[[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00272|G020]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00611|T065]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;  
 
|-
 
|-
  
−
| C6H11N4O2 || 171 || 1 || [[MassBank:KOX00894|Velpar]]&nbsp;  
+
| C6H11N4O2 || 171 || 1 || [[MassBank:KOX00894|V020]]&nbsp;  
 
|-
 
|-
  
−
| C4H8N2O5P || 195 || 1 || [[MassBank:KOX00843|Phosphocreatine]]&nbsp;  
+
| C4H8N2O5P || 195 || 1 || [[MassBank:KOX00843|P084]]&nbsp;  
 
|-
 
|-
  
−
| C13H16NO5 || 266 || 1 || [[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C13H16NO5 || 266 || 1 || [[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C7H10N3O || 152 || 3 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C7H10N3O || 152 || 3 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C9H9S || 149 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C9H9S || 149 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C6H7N4S || 167 || 1 || [[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;  
+
| C6H7N4S || 167 || 1 || [[MassBank:KOX00451|M104]]&nbsp;  
 
|-
 
|-
  
−
| C7H13S2 || 161 || 1 || [[MassBank:KOX00770|a-Lipoamide]]&nbsp;  
+
| C7H13S2 || 161 || 1 || [[MassBank:KOX00770|L031]]&nbsp;  
 
|-
 
|-
  
−
| C10H11N4O4 || 251 || 2 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;  
+
| C10H11N4O4 || 251 || 2 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00201|D057]]&nbsp;  
 
|-
 
|-
  
−
| C6H13O || 101 || 1 || [[MassBank:KOX00740|Glucosamine]]&nbsp;  
+
| C6H13O || 101 || 1 || [[MassBank:KOX00740|G051]]&nbsp;  
 
|-
 
|-
  
−
| C5H14NO || 104 || 3 || [[MassBank:KOX00688|Carbachol]]&nbsp;[[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;  
+
| C5H14NO || 104 || 3 || [[MassBank:KOX00688|C044]]&nbsp;[[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;  
 
|-
 
|-
  
−
| CH4ClN2 || 79 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| CH4ClN2 || 79 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N2OS || 209 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C10H13N2OS || 209 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C10H14N5O4 || 268 || 2 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;  
+
| C10H14N5O4 || 268 || 2 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00201|D057]]&nbsp;  
 
|-
 
|-
  
−
| C14H28N5O4 || 330 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C14H28N5O4 || 330 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C11H14N || 160 || 1 || [[MassBank:KOX00790|N-Methyl-N-propagylbenzylamine]]&nbsp;  
+
| C11H14N || 160 || 1 || [[MassBank:KOX00790|M071]]&nbsp;  
 
|-
 
|-
  
−
| C4H3OS || 99 || 1 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;  
+
| C4H3OS || 99 || 1 || [[MassBank:KOX00048|A059]]&nbsp;  
 
|-
 
|-
  
−
| C12H8N3 || 194 || 1 || [[MassBank:KOX00422|Milrinone]]&nbsp;  
+
| C12H8N3 || 194 || 1 || [[MassBank:KOX00422|M037]]&nbsp;  
 
|-
 
|-
  
−
| C2HN2 || 53 || 2 || [[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00897|Xanthopterin]]&nbsp;  
+
| C2HN2 || 53 || 2 || [[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00897|X012]]&nbsp;  
 
|-
 
|-
  
−
| C5H10O3 || 118 || 1 || [[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;  
+
| C5H10O3 || 118 || 1 || [[MassBank:KOX00256|G003]]&nbsp;  
 
|-
 
|-
  
−
| C8H10NO || 136 || 7 || [[MassBank:KOX00073|Acetanilide]]&nbsp;[[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00667|DAMGO]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;  
+
| C8H10NO || 136 || 7 || [[MassBank:KOX00073|A130]]&nbsp;[[MassBank:KOX00398|L007]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00667|A226]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;  
 
|-
 
|-
  
−
| C5H7O2 || 99 || 2 || [[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C5H7O2 || 99 || 2 || [[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C8H12NO2 || 154 || 3 || [[MassBank:KOX00189|Dopamine]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;  
+
| C8H12NO2 || 154 || 3 || [[MassBank:KOX00189|D046]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;  
 
|-
 
|-
  
−
| C15H10I3O4 || 635 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C15H10I3O4 || 635 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C8H9S || 137 || 1 || [[MassBank:KOX00770|a-Lipoamide]]&nbsp;  
+
| C8H9S || 137 || 1 || [[MassBank:KOX00770|L031]]&nbsp;  
 
|-
 
|-
  
−
| C8H10N3O || 164 || 2 || [[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00520|Piroxicam]]&nbsp;  
+
| C8H10N3O || 164 || 2 || [[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00520|P068]]&nbsp;  
 
|-
 
|-
  
−
| C9H7N2S || 175 || 1 || [[MassBank:KOX00877|Thiabendazole]]&nbsp;  
+
| C9H7N2S || 175 || 1 || [[MassBank:KOX00877|T028]]&nbsp;  
 
|-
 
|-
  
−
| C6H14NO || 116 || 2 || [[MassBank:KOX00820|Oleandomycin]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;  
+
| C6H14NO || 116 || 2 || [[MassBank:KOX00820|O016]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N2 || 82 || 6 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00761|b-Imidazolelactate]]&nbsp;[[MassBank:KOX00782|Metronidazole]]&nbsp;  
+
| C4H6N2 || 82 || 6 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00761|I053]]&nbsp;[[MassBank:KOX00782|M033]]&nbsp;  
 
|-
 
|-
  
−
| C12H24O14P || 423 || 1 || [[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;  
+
| C12H24O14P || 423 || 1 || [[MassBank:KOX00611|T065]]&nbsp;  
 
|-
 
|-
  
−
| C13H10Cl2N || 250 || 1 || [[MassBank:KOX00213|Diclofenac]]&nbsp;  
+
| C13H10Cl2N || 250 || 1 || [[MassBank:KOX00213|D128]]&nbsp;  
 
|-
 
|-
  
−
| C12H7NS || 197 || 1 || [[MassBank:KOX00785|Methylene blue]]&nbsp;  
+
| C12H7NS || 197 || 1 || [[MassBank:KOX00785|M047]]&nbsp;  
 
|-
 
|-
  
−
| C8H16N3O2 || 186 || 1 || [[MassBank:KOX00652|Arginine ethyl ester]]&nbsp;  
+
| C8H16N3O2 || 186 || 1 || [[MassBank:KOX00652|A103]]&nbsp;  
 
|-
 
|-
  
−
| C10H6NO2 || 172 || 1 || [[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;  
+
| C10H6NO2 || 172 || 1 || [[MassBank:KOX00748|H050]]&nbsp;  
 
|-
 
|-
  
−
| C9H14N3O || 180 || 2 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;  
+
| C9H14N3O || 180 || 2 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;  
 
|-
 
|-
  
−
| C3H7O3 || 91 || 1 || [[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;  
+
| C3H7O3 || 91 || 1 || [[MassBank:KOX00447|M080]]&nbsp;  
 
|-
 
|-
  
−
| C16H10N5O3 || 320 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C16H10N5O3 || 320 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C7H10NO || 124 || 2 || [[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;  
+
| C7H10NO || 124 || 2 || [[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;  
 
|-
 
|-
  
−
| C9H20N3 || 170 || 1 || [[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;  
+
| C9H20N3 || 170 || 1 || [[MassBank:KOX00655|A112]]&nbsp;  
 
|-
 
|-
  
−
| C8H11S2 || 171 || 1 || [[MassBank:KOX00770|a-Lipoamide]]&nbsp;  
+
| C8H11S2 || 171 || 1 || [[MassBank:KOX00770|L031]]&nbsp;  
 
|-
 
|-
  
−
| C7H12NO2 || 142 || 3 || [[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C7H12NO2 || 142 || 3 || [[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C15H22N3O2 || 276 || 1 || [[MassBank:KOX00723|Eserine]]&nbsp;  
+
| C15H22N3O2 || 276 || 1 || [[MassBank:KOX00723|E007]]&nbsp;  
 
|-
 
|-
  
−
| C9H10N3O || 176 || 1 || [[MassBank:KOX00306|TRH]]&nbsp;  
+
| C9H10N3O || 176 || 1 || [[MassBank:KOX00306|G117]]&nbsp;  
 
|-
 
|-
  
−
| C9H10N3O4 || 224 || 1 || [[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;  
+
| C9H10N3O4 || 224 || 1 || [[MassBank:KOX00077|A133]]&nbsp;  
 
|-
 
|-
  
−
| C17H27N8O5 || 423 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C17H27N8O5 || 423 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C26H40NO4S || 462 || 1 || [[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C26H40NO4S || 462 || 1 || [[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| CH2NO2 || 60 || 1 || [[MassBank:KOX00753|Hydroxyurea]]&nbsp;  
+
| CH2NO2 || 60 || 1 || [[MassBank:KOX00753|H104]]&nbsp;  
 
|-
 
|-
  
−
| C3H10N || 60 || 9 || [[MassBank:KOX00039|a-Aminoisobutyrate]]&nbsp;[[MassBank:KOX00593|allo-threonine]]&nbsp;[[MassBank:KOX00644|Acetylcholine]]&nbsp;[[MassBank:KOX00659|O-Acetylcarnitine]]&nbsp;[[MassBank:KOX00686|Carnitine]]&nbsp;[[MassBank:KOX00688|Carbachol]]&nbsp;[[MassBank:KOX00696|g-Butyrobetaine]]&nbsp;[[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;  
+
| C3H10N || 60 || 9 || [[MassBank:KOX00039|A048]]&nbsp;[[MassBank:KOX00593|T020]]&nbsp;[[MassBank:KOX00644|A060]]&nbsp;[[MassBank:KOX00659|A143]]&nbsp;[[MassBank:KOX00686|C041]]&nbsp;[[MassBank:KOX00688|C044]]&nbsp;[[MassBank:KOX00696|C220]]&nbsp;[[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;  
 
|-
 
|-
  
−
| C8H14NO3 || 172 || 3 || [[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;  
+
| C8H14NO3 || 172 || 3 || [[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;  
 
|-
 
|-
  
−
| C14H18NO3 || 248 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C14H18NO3 || 248 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C26H46NO5S || 484 || 1 || [[MassBank:KOX00613|Taurolithocholate]]&nbsp;  
+
| C26H46NO5S || 484 || 1 || [[MassBank:KOX00613|T072]]&nbsp;  
 
|-
 
|-
  
−
| CH3O2S || 79 || 1 || [[MassBank:KOX00584|Taurine]]&nbsp;  
+
| CH3O2S || 79 || 1 || [[MassBank:KOX00584|T004]]&nbsp;  
 
|-
 
|-
  
−
| C10H17N6S || 253 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C10H17N6S || 253 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C18H11O3 || 275 || 2 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;  
+
| C18H11O3 || 275 || 2 || [[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;  
 
|-
 
|-
  
−
| C5H10O7P || 213 || 1 || [[MassBank:KOX00483|Orotidine 5'-monophosphate]]&nbsp;  
+
| C5H10O7P || 213 || 1 || [[MassBank:KOX00483|O015]]&nbsp;  
 
|-
 
|-
  
−
| C4H3N2O || 95 || 5 || [[MassBank:KOX00145|Cytosine]]&nbsp;[[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;[[MassBank:KOX00197|2'-Deoxycytidine]]&nbsp;[[MassBank:KOX00631|Zalcitabine]]&nbsp;[[MassBank:KOX00893|Uridine]]&nbsp;  
+
| C4H3N2O || 95 || 5 || [[MassBank:KOX00145|C033]]&nbsp;[[MassBank:KOX00174|C119]]&nbsp;[[MassBank:KOX00197|D055]]&nbsp;[[MassBank:KOX00631|Z001]]&nbsp;[[MassBank:KOX00893|U006]]&nbsp;  
 
|-
 
|-
  
−
| C17H24NO3 || 290 || 2 || [[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;  
+
| C17H24NO3 || 290 || 2 || [[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;  
 
|-
 
|-
  
−
| C2H5NO2P || 106 || 1 || [[MassBank:KOX00075|2-Amino-3-phosphonopropionate]]&nbsp;  
+
| C2H5NO2P || 106 || 1 || [[MassBank:KOX00075|A131]]&nbsp;  
 
|-
 
|-
  
−
| C17H19N4O5 || 359 || 1 || [[MassBank:KOX00504|Piperacillin]]&nbsp;  
+
| C17H19N4O5 || 359 || 1 || [[MassBank:KOX00504|P039]]&nbsp;  
 
|-
 
|-
  
−
| C10H12N5O3 || 250 || 2 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;  
+
| C10H12N5O3 || 250 || 2 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00636|A020]]&nbsp;  
 
|-
 
|-
  
−
| C2H6S || 62 || 1 || [[MassBank:KOX00885|Trimethylsulfonium]]&nbsp;  
+
| C2H6S || 62 || 1 || [[MassBank:KOX00885|T058]]&nbsp;  
 
|-
 
|-
  
−
| C5H13N4O3 || 177 || 1 || [[MassBank:KOX00167|Canavanine]]&nbsp;  
+
| C5H13N4O3 || 177 || 1 || [[MassBank:KOX00167|C094]]&nbsp;  
 
|-
 
|-
  
−
| C7H5N2O3 || 165 || 1 || [[MassBank:KOX00300|Ganciclovir]]&nbsp;  
+
| C7H5N2O3 || 165 || 1 || [[MassBank:KOX00300|G088]]&nbsp;  
 
|-
 
|-
  
−
| C5H8NO3S || 162 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C5H8NO3S || 162 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C10H22N3O5 || 264 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C10H22N3O5 || 264 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C7H6N || 104 || 31 || [[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00628|Xanthurenate]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;[[MassBank:KOX00670|Benzamidine]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00817|Nalidixate]]&nbsp;[[MassBank:KOX00832|o-Phenanthroline]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00860|Quinoline]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;[[MassBank:KOX00877|Thiabendazole]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C7H6N || 104 || 31 || [[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00628|X004]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;[[MassBank:KOX00670|B004]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00804|M142]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00817|N067]]&nbsp;[[MassBank:KOX00832|P057]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00860|Q008]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;[[MassBank:KOX00877|T028]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C5H6NO || 96 || 26 || [[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00288|Glucosaminate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00744|Hydroxyproline]]&nbsp;[[MassBank:KOX00745|2-Hydroxypyridine]]&nbsp;[[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;[[MassBank:KOX00826|2-Picolate]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00847|Picolinamide]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;  
+
| C5H6NO || 96 || 26 || [[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00288|G061]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00730|F013]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00744|H004]]&nbsp;[[MassBank:KOX00745|H021]]&nbsp;[[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;[[MassBank:KOX00826|P045]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00847|P099]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;  
 
|-
 
|-
  
−
| C3H6NO3S || 136 || 1 || [[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;  
+
| C3H6NO3S || 136 || 1 || [[MassBank:KOX00140|C015]]&nbsp;  
 
|-
 
|-
  
−
| C5H7O3 || 115 || 3 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00268|L-Gln]]&nbsp;[[MassBank:KOX00733|D-Gln]]&nbsp;  
+
| C5H7O3 || 115 || 3 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00268|G018]]&nbsp;[[MassBank:KOX00733|G006]]&nbsp;  
 
|-
 
|-
  
−
| C9H8N3S || 190 || 1 || [[MassBank:KOX00577|Sulfathiazole]]&nbsp;  
+
| C9H8N3S || 190 || 1 || [[MassBank:KOX00577|S079]]&nbsp;  
 
|-
 
|-
  
−
| C8H16N5O || 198 || 1 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;  
+
| C8H16N5O || 198 || 1 || [[MassBank:KOX00104|A196]]&nbsp;  
 
|-
 
|-
  
−
| C3H3N2O || 83 || 2 || [[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00652|Arginine ethyl ester]]&nbsp;  
+
| C3H3N2O || 83 || 2 || [[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00652|A103]]&nbsp;  
 
|-
 
|-
  
−
| C9H12NO2 || 166 || 4 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;  
+
| C9H12NO2 || 166 || 4 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;  
 
|-
 
|-
  
−
| C9H8N || 130 || 23 || [[MassBank:KOX00238|Etodolac]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00738|Gramine]]&nbsp;[[MassBank:KOX00763|Isoquinoline]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00860|Quinoline]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C9H8N || 130 || 23 || [[MassBank:KOX00238|E034]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00738|G041]]&nbsp;[[MassBank:KOX00763|I067]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00860|Q008]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C9H10N || 132 || 6 || [[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C9H10N || 132 || 6 || [[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C10H10NOS || 192 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C10H10NOS || 192 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C2HClN || 74 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C2HClN || 74 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C12H12NO || 186 || 1 || [[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;  
+
| C12H12NO || 186 || 1 || [[MassBank:KOX00377|I025]]&nbsp;  
 
|-
 
|-
  
−
| C10H10NO2 || 176 || 2 || [[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;  
+
| C10H10NO2 || 176 || 2 || [[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;  
 
|-
 
|-
  
−
| C8H16NO4 || 190 || 2 || [[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;  
+
| C8H16NO4 || 190 || 2 || [[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;  
 
|-
 
|-
  
−
| C9H14NO4 || 200 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C9H14NO4 || 200 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C8H6N || 116 || 4 || [[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00638|5-Aminoindole]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;  
+
| C8H6N || 116 || 4 || [[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00638|A036]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;  
 
|-
 
|-
  
−
| C5H12NO2S || 150 || 4 || [[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;[[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;  
+
| C5H12NO2S || 150 || 4 || [[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;[[MassBank:KOX00636|A020]]&nbsp;  
 
|-
 
|-
  
−
| C8H11N2S || 167 || 1 || [[MassBank:KOX00231|Ethionamide]]&nbsp;  
+
| C8H11N2S || 167 || 1 || [[MassBank:KOX00231|E012]]&nbsp;  
 
|-
 
|-
  
−
| C2H6NS || 76 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C2H6NS || 76 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C9H12NO5 || 214 || 1 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;  
+
| C9H12NO5 || 214 || 1 || [[MassBank:KOX00016|A018]]&nbsp;  
 
|-
 
|-
  
−
| C8H8N || 118 || 38 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00157|Chloramphenicol]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00238|Etodolac]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00526|Puromycin]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C8H8N || 118 || 38 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00157|C057]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00238|E034]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00385|I050]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00526|P075]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C4H7 || 55 || 57 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00100|2-Amino-2-methylbutanoate]]&nbsp;[[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;[[MassBank:KOX00126|Biotin]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00284|Glycocholate]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;[[MassBank:KOX00368|Isoguvacine]]&nbsp;[[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00391|Leu]]&nbsp;[[MassBank:KOX00393|Lys]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00464|Norvaline]]&nbsp;[[MassBank:KOX00471|Naproxen]]&nbsp;[[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00508|Pipecolate]]&nbsp;[[MassBank:KOX00558|Suberate]]&nbsp;[[MassBank:KOX00623|Val]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00641|N-Acetylputrescine]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;[[MassBank:KOX00666|Amiloride]]&nbsp;[[MassBank:KOX00669|1,4-Butanediamine]]&nbsp;[[MassBank:KOX00672|Buformin]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;[[MassBank:KOX00691|Cyclohexylamine]]&nbsp;[[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;[[MassBank:KOX00711|5'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00724|N-Ethylmaleimide]]&nbsp;[[MassBank:KOX00731|Fenfluramine]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00752|Eflornithine]]&nbsp;[[MassBank:KOX00758|Isoamylamine]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00769|Lysinamide]]&nbsp;[[MassBank:KOX00770|a-Lipoamide]]&nbsp;[[MassBank:KOX00773|b-Leucine]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;[[MassBank:KOX00784|Mecamylamine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00801|Muscimol]]&nbsp;[[MassBank:KOX00818|D-Ornithine]]&nbsp;[[MassBank:KOX00823|1,3-Phenylenediamine]]&nbsp;[[MassBank:KOX00830|Pseudopelletierine]]&nbsp;[[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;[[MassBank:KOX00861|Spermidine]]&nbsp;[[MassBank:KOX00894|Velpar]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;  
+
| C4H7 || 55 || 57 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00100|A189]]&nbsp;[[MassBank:KOX00104|A196]]&nbsp;[[MassBank:KOX00126|B020]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00284|G050]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;[[MassBank:KOX00368|I015]]&nbsp;[[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00391|L003]]&nbsp;[[MassBank:KOX00393|L004]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00464|N009]]&nbsp;[[MassBank:KOX00471|N018]]&nbsp;[[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00508|P048]]&nbsp;[[MassBank:KOX00558|S013]]&nbsp;[[MassBank:KOX00623|V001]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00641|A051]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00664|A203]]&nbsp;[[MassBank:KOX00666|A225]]&nbsp;[[MassBank:KOX00669|B001]]&nbsp;[[MassBank:KOX00672|B010]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;[[MassBank:KOX00691|C114]]&nbsp;[[MassBank:KOX00710|D078]]&nbsp;[[MassBank:KOX00711|D082]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00724|E008]]&nbsp;[[MassBank:KOX00731|F016]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00752|H097]]&nbsp;[[MassBank:KOX00758|I039]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00769|L027]]&nbsp;[[MassBank:KOX00770|L031]]&nbsp;[[MassBank:KOX00773|L057]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;[[MassBank:KOX00784|M039]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00801|M115]]&nbsp;[[MassBank:KOX00818|O005]]&nbsp;[[MassBank:KOX00823|P035]]&nbsp;[[MassBank:KOX00830|P054]]&nbsp;[[MassBank:KOX00857|P206]]&nbsp;[[MassBank:KOX00861|S003]]&nbsp;[[MassBank:KOX00894|V020]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;  
 
|-
 
|-
  
−
| C11H16N3O3S || 270 || 1 || [[MassBank:KOX00552|Ranitidine]]&nbsp;  
+
| C11H16N3O3S || 270 || 1 || [[MassBank:KOX00552|R041]]&nbsp;  
 
|-
 
|-
  
−
| C4H4O || 68 || 1 || [[MassBank:KOX00801|Muscimol]]&nbsp;  
+
| C4H4O || 68 || 1 || [[MassBank:KOX00801|M115]]&nbsp;  
 
|-
 
|-
  
−
| C6H10N || 96 || 2 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00830|Pseudopelletierine]]&nbsp;  
+
| C6H10N || 96 || 2 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00830|P054]]&nbsp;  
 
|-
 
|-
  
−
| C9H10I2NO3 || 434 || 1 || [[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;  
+
| C9H10I2NO3 || 434 || 1 || [[MassBank:KOX00199|D056]]&nbsp;  
 
|-
 
|-
  
−
| C6H5NS || 123 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C6H5NS || 123 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C6H8O6P || 207 || 3 || [[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;[[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;  
+
| C6H8O6P || 207 || 3 || [[MassBank:KOX00241|F008]]&nbsp;[[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00611|T065]]&nbsp;  
 
|-
 
|-
  
−
| C2H2N || 40 || 1 || [[MassBank:KOX00829|Purine]]&nbsp;  
+
| C2H2N || 40 || 1 || [[MassBank:KOX00829|P049]]&nbsp;  
 
|-
 
|-
  
−
| C17H27O2 || 263 || 1 || [[MassBank:KOX00284|Glycocholate]]&nbsp;  
+
| C17H27O2 || 263 || 1 || [[MassBank:KOX00284|G050]]&nbsp;  
 
|-
 
|-
  
−
| C9H6N || 128 || 5 || [[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00738|Gramine]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;  
+
| C9H6N || 128 || 5 || [[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00738|G041]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;  
 
|-
 
|-
  
−
| C3H4O3 || 88 || 1 || [[MassBank:KOX00496|2-Phosphoglycerate]]&nbsp;  
+
| C3H4O3 || 88 || 1 || [[MassBank:KOX00496|P029]]&nbsp;  
 
|-
 
|-
  
−
| C29H43O || 407 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C29H43O || 407 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C10H23N4 || 199 || 1 || [[MassBank:KOX00762|Ismelin]]&nbsp;  
+
| C10H23N4 || 199 || 1 || [[MassBank:KOX00762|I063]]&nbsp;  
 
|-
 
|-
  
−
| C7H6NO || 120 || 14 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00131|Bentazon]]&nbsp;[[MassBank:KOX00371|Isatin]]&nbsp;[[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;[[MassBank:KOX00628|Xanthurenate]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00854|Procaine]]&nbsp;[[MassBank:KOX00855|Prazosin]]&nbsp;[[MassBank:KOX00858|Pentamidine]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;  
+
| C7H6NO || 120 || 14 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00131|B072]]&nbsp;[[MassBank:KOX00371|I019]]&nbsp;[[MassBank:KOX00385|I050]]&nbsp;[[MassBank:KOX00628|X004]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00854|P190]]&nbsp;[[MassBank:KOX00855|P191]]&nbsp;[[MassBank:KOX00858|P209]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;  
 
|-
 
|-
  
−
| C4H9 || 57 || 18 || [[MassBank:KOX00213|Diclofenac]]&nbsp;[[MassBank:KOX00272|Glucose 1-phosphate]]&nbsp;[[MassBank:KOX00306|TRH]]&nbsp;[[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;[[MassBank:KOX00471|Naproxen]]&nbsp;[[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;[[MassBank:KOX00616|Triadimefon]]&nbsp;[[MassBank:KOX00623|Val]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00672|Buformin]]&nbsp;[[MassBank:KOX00702|2,4-Diaminobutyrate]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00819|Octylamine]]&nbsp;[[MassBank:KOX00851|Penciclovir]]&nbsp;[[MassBank:KOX00892|Terbutaline]]&nbsp;[[MassBank:KOX00909|Isobutylamine]]&nbsp;  
+
| C4H9 || 57 || 18 || [[MassBank:KOX00213|D128]]&nbsp;[[MassBank:KOX00272|G020]]&nbsp;[[MassBank:KOX00306|G117]]&nbsp;[[MassBank:KOX00401|L016]]&nbsp;[[MassBank:KOX00471|N018]]&nbsp;[[MassBank:KOX00536|P113]]&nbsp;[[MassBank:KOX00616|T112]]&nbsp;[[MassBank:KOX00623|V001]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00672|B010]]&nbsp;[[MassBank:KOX00702|D038]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00730|F013]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00819|O007]]&nbsp;[[MassBank:KOX00851|P157]]&nbsp;[[MassBank:KOX00892|T126]]&nbsp;[[MassBank:KOX00909|I064]]&nbsp;  
 
|-
 
|-
  
−
| C8H11N4O2 || 195 || 1 || [[MassBank:KOX00684|Caffeine]]&nbsp;  
+
| C8H11N4O2 || 195 || 1 || [[MassBank:KOX00684|C028]]&nbsp;  
 
|-
 
|-
  
−
| C7H8N || 106 || 25 || [[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00638|5-Aminoindole]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;[[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C7H8N || 106 || 25 || [[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00385|I050]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00536|P113]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00638|A036]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;[[MassBank:KOX00857|P206]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C5H7 || 67 || 47 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00095|Ne-Acetyllysine]]&nbsp;[[MassBank:KOX00126|Biotin]]&nbsp;[[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;[[MassBank:KOX00197|2'-Deoxycytidine]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;[[MassBank:KOX00393|Lys]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00469|Norleucine]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00508|Pipecolate]]&nbsp;[[MassBank:KOX00512|Propylthiouracil]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00661|Amifostine]]&nbsp;[[MassBank:KOX00685|1,5-Diaminopentane]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00691|Cyclohexylamine]]&nbsp;[[MassBank:KOX00709|Desthiobiotin]]&nbsp;[[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;[[MassBank:KOX00731|Fenfluramine]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;[[MassBank:KOX00769|Lysinamide]]&nbsp;[[MassBank:KOX00770|a-Lipoamide]]&nbsp;[[MassBank:KOX00782|Metronidazole]]&nbsp;[[MassBank:KOX00784|Mecamylamine]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00819|Octylamine]]&nbsp;[[MassBank:KOX00822|Piperidine]]&nbsp;[[MassBank:KOX00830|Pseudopelletierine]]&nbsp;[[MassBank:KOX00865|Scopolamine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;[[MassBank:KOX00887|Tropinone]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C5H7 || 67 || 47 || [[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00095|A174]]&nbsp;[[MassBank:KOX00126|B020]]&nbsp;[[MassBank:KOX00174|C119]]&nbsp;[[MassBank:KOX00197|D055]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;[[MassBank:KOX00393|L004]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00469|N014]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00508|P048]]&nbsp;[[MassBank:KOX00512|P055]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00661|A170]]&nbsp;[[MassBank:KOX00685|C032]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00691|C114]]&nbsp;[[MassBank:KOX00709|D075]]&nbsp;[[MassBank:KOX00710|D078]]&nbsp;[[MassBank:KOX00731|F016]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;[[MassBank:KOX00769|L027]]&nbsp;[[MassBank:KOX00770|L031]]&nbsp;[[MassBank:KOX00782|M033]]&nbsp;[[MassBank:KOX00784|M039]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00819|O007]]&nbsp;[[MassBank:KOX00822|P034]]&nbsp;[[MassBank:KOX00830|P054]]&nbsp;[[MassBank:KOX00865|S040]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;[[MassBank:KOX00887|T061]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C2H8O3PS || 143 || 1 || [[MassBank:KOX00211|O, O-Diethyl thiophosphate]]&nbsp;  
+
| C2H8O3PS || 143 || 1 || [[MassBank:KOX00211|D113]]&nbsp;  
 
|-
 
|-
  
−
| C7H12N3O || 154 || 2 || [[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C7H12N3O || 154 || 2 || [[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C7H10N || 108 || 3 || [[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00789|N-Methylaniline]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;  
+
| C7H10N || 108 || 3 || [[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00789|M066]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;  
 
|-
 
|-
  
−
| C17H36N || 254 || 1 || [[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;  
+
| C17H36N || 254 || 1 || [[MassBank:KOX00710|D078]]&nbsp;  
 
|-
 
|-
  
−
| C5H3N2O || 107 || 2 || [[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00846|Pyrazinamide]]&nbsp;  
+
| C5H3N2O || 107 || 2 || [[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00846|P098]]&nbsp;  
 
|-
 
|-
  
−
| C6H14N3O || 144 || 1 || [[MassBank:KOX00347|Homoarginine]]&nbsp;  
+
| C6H14N3O || 144 || 1 || [[MassBank:KOX00347|H073]]&nbsp;  
 
|-
 
|-
  
−
| H2O2PS || 97 || 1 || [[MassBank:KOX00211|O, O-Diethyl thiophosphate]]&nbsp;  
+
| H2O2PS || 97 || 1 || [[MassBank:KOX00211|D113]]&nbsp;  
 
|-
 
|-
  
−
| C7H5N2 || 117 || 3 || [[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00693|Carbendazim]]&nbsp;  
+
| C7H5N2 || 117 || 3 || [[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00693|C170]]&nbsp;  
 
|-
 
|-
  
−
| C8H4NO || 130 || 2 || [[MassBank:KOX00371|Isatin]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;  
+
| C8H4NO || 130 || 2 || [[MassBank:KOX00371|I019]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;  
 
|-
 
|-
  
−
| C8H8NS2 || 182 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C8H8NS2 || 182 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C7H3ClN || 136 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C7H3ClN || 136 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C6H6NO || 108 || 5 || [[MassBank:KOX00107|4-Aminophenylsulfone]]&nbsp;[[MassBank:KOX00133|Bumetanide]]&nbsp;[[MassBank:KOX00577|Sulfathiazole]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00863|Sulfanilamide]]&nbsp;  
+
| C6H6NO || 108 || 5 || [[MassBank:KOX00107|A220]]&nbsp;[[MassBank:KOX00133|B093]]&nbsp;[[MassBank:KOX00577|S079]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00863|S016]]&nbsp;  
 
|-
 
|-
  
−
| C5H9 || 69 || 24 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00083|N-Acetyl-b-alanine]]&nbsp;[[MassBank:KOX00090|N-Acetylleucine]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00295|Gly-Leu]]&nbsp;[[MassBank:KOX00364|Ile]]&nbsp;[[MassBank:KOX00391|Leu]]&nbsp;[[MassBank:KOX00469|Norleucine]]&nbsp;[[MassBank:KOX00518|Psychosine]]&nbsp;[[MassBank:KOX00558|Suberate]]&nbsp;[[MassBank:KOX00616|Triadimefon]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;[[MassBank:KOX00685|1,5-Diaminopentane]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00773|b-Leucine]]&nbsp;[[MassBank:KOX00822|Piperidine]]&nbsp;[[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;[[MassBank:KOX00858|Pentamidine]]&nbsp;[[MassBank:KOX00889|Tilt (TM)]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C5H9 || 69 || 24 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00083|A138]]&nbsp;[[MassBank:KOX00090|A145]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00295|G071]]&nbsp;[[MassBank:KOX00364|I008]]&nbsp;[[MassBank:KOX00391|L003]]&nbsp;[[MassBank:KOX00469|N014]]&nbsp;[[MassBank:KOX00518|P067]]&nbsp;[[MassBank:KOX00558|S013]]&nbsp;[[MassBank:KOX00616|T112]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;[[MassBank:KOX00685|C032]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00773|L057]]&nbsp;[[MassBank:KOX00822|P034]]&nbsp;[[MassBank:KOX00857|P206]]&nbsp;[[MassBank:KOX00858|P209]]&nbsp;[[MassBank:KOX00889|T108]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C3H5S2 || 105 || 1 || [[MassBank:KOX00770|a-Lipoamide]]&nbsp;  
+
| C3H5S2 || 105 || 1 || [[MassBank:KOX00770|L031]]&nbsp;  
 
|-
 
|-
  
−
| CH6NO || 48 || 1 || [[MassBank:KOX00262|Gly]]&nbsp;  
+
| CH6NO || 48 || 1 || [[MassBank:KOX00262|G011]]&nbsp;  
 
|-
 
|-
  
−
| C14H17N2O2 || 245 || 1 || [[MassBank:KOX00723|Eserine]]&nbsp;  
+
| C14H17N2O2 || 245 || 1 || [[MassBank:KOX00723|E007]]&nbsp;  
 
|-
 
|-
  
−
| C6H8N || 94 || 38 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00073|Acetanilide]]&nbsp;[[MassBank:KOX00107|4-Aminophenylsulfone]]&nbsp;[[MassBank:KOX00154|Carbazole]]&nbsp;[[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00328|Harman]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00643|Aniline]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;[[MassBank:KOX00671|Benzamide]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00815|Neostigmine]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;[[MassBank:KOX00890|Trifluoperazine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C6H8N || 94 || 38 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00073|A130]]&nbsp;[[MassBank:KOX00107|A220]]&nbsp;[[MassBank:KOX00154|C040]]&nbsp;[[MassBank:KOX00221|D166]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00328|H029]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00643|A054]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;[[MassBank:KOX00671|B009]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00805|M150]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00815|N063]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;[[MassBank:KOX00890|T122]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C5H10NO || 100 || 6 || [[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00718|Diethyl-2-phenylacetamide]]&nbsp;[[MassBank:KOX00776|1-Methyl-2-pyrrolidone]]&nbsp;  
+
| C5H10NO || 100 || 6 || [[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00654|A111]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00718|D122]]&nbsp;[[MassBank:KOX00776|M024]]&nbsp;  
 
|-
 
|-
  
−
| C3H8NO || 74 || 11 || [[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00268|L-Gln]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;[[MassBank:KOX00586|Thr]]&nbsp;[[MassBank:KOX00593|allo-threonine]]&nbsp;[[MassBank:KOX00640|3-Amino-1,2-propanediol]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00743|Homoserine]]&nbsp;[[MassBank:KOX00778|a-Methylserine]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;[[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C3H8NO || 74 || 11 || [[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00268|G018]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;[[MassBank:KOX00586|T010]]&nbsp;[[MassBank:KOX00593|T020]]&nbsp;[[MassBank:KOX00640|A046]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00743|H003]]&nbsp;[[MassBank:KOX00778|M025]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;[[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C10H8Cl2N2O2 || 258 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C10H8Cl2N2O2 || 258 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C10H9O || 145 || 1 || [[MassBank:KOX00856|Propranolol]]&nbsp;  
+
| C10H9O || 145 || 1 || [[MassBank:KOX00856|P192]]&nbsp;  
 
|-
 
|-
  
−
| C4H7S || 87 || 3 || [[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;  
+
| C4H7S || 87 || 3 || [[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;  
 
|-
 
|-
  
−
| C8H21NO6P || 258 || 1 || [[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;  
+
| C8H21NO6P || 258 || 1 || [[MassBank:KOX00741|G069]]&nbsp;  
 
|-
 
|-
  
−
| C3H6N || 56 || 77 || [[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;[[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00064|a-Aminoadipate]]&nbsp;[[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00095|Ne-Acetyllysine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00167|Canavanine]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;[[MassBank:KOX00229|Ectoine]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00259|D-Glu]]&nbsp;[[MassBank:KOX00268|L-Gln]]&nbsp;[[MassBank:KOX00270|L-Glu]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00281|Glu-Glu]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;[[MassBank:KOX00364|Ile]]&nbsp;[[MassBank:KOX00393|Lys]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00454|Methionine sulfoximine]]&nbsp;[[MassBank:KOX00476|L-5-Oxoproline]]&nbsp;[[MassBank:KOX00508|Pipecolate]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00529|D-5-Oxoproline]]&nbsp;[[MassBank:KOX00586|Thr]]&nbsp;[[MassBank:KOX00590|Thymine]]&nbsp;[[MassBank:KOX00593|allo-threonine]]&nbsp;[[MassBank:KOX00623|Val]]&nbsp;[[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;[[MassBank:KOX00640|3-Amino-1,2-propanediol]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00680|Betaine aldehyde]]&nbsp;[[MassBank:KOX00681|Betaine]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00688|Carbachol]]&nbsp;[[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00700|N,N-Dimethylglycine]]&nbsp;[[MassBank:KOX00702|2,4-Diaminobutyrate]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00729|Ethionine]]&nbsp;[[MassBank:KOX00733|D-Gln]]&nbsp;[[MassBank:KOX00743|Homoserine]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00761|b-Imidazolelactate]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00769|Lysinamide]]&nbsp;[[MassBank:KOX00778|a-Methylserine]]&nbsp;[[MassBank:KOX00779|5-Methylcytosine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00802|4-Methylpyrazole]]&nbsp;[[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00822|Piperidine]]&nbsp;[[MassBank:KOX00827|Piperazine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;[[MassBank:KOX00874|Triethanolamine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;[[MassBank:KOX00887|Tropinone]]&nbsp;[[MassBank:KOX00888|Timolol]]&nbsp;[[MassBank:KOX00890|Trifluoperazine]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;[[MassBank:KOX00905|4-Amino-3-hydroxybutyrate]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;  
+
| C3H6N || 56 || 77 || [[MassBank:KOX00022|A031]]&nbsp;[[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00064|A110]]&nbsp;[[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00095|A174]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00167|C094]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;[[MassBank:KOX00229|E011]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00259|G005]]&nbsp;[[MassBank:KOX00268|G018]]&nbsp;[[MassBank:KOX00270|G019]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00281|G043]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;[[MassBank:KOX00364|I008]]&nbsp;[[MassBank:KOX00393|L004]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00454|M114]]&nbsp;[[MassBank:KOX00476|O008]]&nbsp;[[MassBank:KOX00508|P048]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00529|P092]]&nbsp;[[MassBank:KOX00586|T010]]&nbsp;[[MassBank:KOX00590|T015]]&nbsp;[[MassBank:KOX00593|T020]]&nbsp;[[MassBank:KOX00623|V001]]&nbsp;[[MassBank:KOX00636|A020]]&nbsp;[[MassBank:KOX00640|A046]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00680|B044]]&nbsp;[[MassBank:KOX00681|B047]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00688|C044]]&nbsp;[[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00700|D036]]&nbsp;[[MassBank:KOX00702|D038]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00729|E056]]&nbsp;[[MassBank:KOX00733|G006]]&nbsp;[[MassBank:KOX00743|H003]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00761|I053]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00769|L027]]&nbsp;[[MassBank:KOX00778|M025]]&nbsp;[[MassBank:KOX00779|M029]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00802|M124]]&nbsp;[[MassBank:KOX00803|M126]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00822|P034]]&nbsp;[[MassBank:KOX00827|P046]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;[[MassBank:KOX00874|T022]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;[[MassBank:KOX00887|T061]]&nbsp;[[MassBank:KOX00888|T098]]&nbsp;[[MassBank:KOX00890|T122]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;[[MassBank:KOX00905|A204]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;  
 
|-
 
|-
  
−
| C6H10N3O2 || 156 || 4 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;  
+
| C6H10N3O2 || 156 || 4 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;  
 
|-
 
|-
  
−
| C9H16NO || 154 || 1 || [[MassBank:KOX00830|Pseudopelletierine]]&nbsp;  
+
| C9H16NO || 154 || 1 || [[MassBank:KOX00830|P054]]&nbsp;  
 
|-
 
|-
  
−
| C5H7NS || 113 || 2 || [[MassBank:KOX00606|Thiamine]]&nbsp;[[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;  
+
| C5H7NS || 113 || 2 || [[MassBank:KOX00606|T056]]&nbsp;[[MassBank:KOX00775|M013]]&nbsp;  
 
|-
 
|-
  
−
| C8H8N2O2SCl || 196 || 1 || [[MassBank:KOX00195|Diazoxide]]&nbsp;  
+
| C8H8N2O2SCl || 196 || 1 || [[MassBank:KOX00195|D051]]&nbsp;  
 
|-
 
|-
  
−
| C9H13N2 || 149 || 2 || [[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C9H13N2 || 149 || 2 || [[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N4O4 || 253 || 1 || [[MassBank:KOX00841|Purine riboside]]&nbsp;  
+
| C10H13N4O4 || 253 || 1 || [[MassBank:KOX00841|P081]]&nbsp;  
 
|-
 
|-
  
−
| C9H7IO3 || 290 || 1 || [[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;  
+
| C9H7IO3 || 290 || 1 || [[MassBank:KOX00199|D056]]&nbsp;  
 
|-
 
|-
  
−
| C11H12NO6 || 254 || 1 || [[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C11H12NO6 || 254 || 1 || [[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C4H8NO || 86 || 18 || [[MassBank:KOX00002|GABA]]&nbsp;[[MassBank:KOX00083|N-Acetyl-b-alanine]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00205|Doxorubicin]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00335|cis-4-Hydroxyproline]]&nbsp;[[MassBank:KOX00368|Isoguvacine]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00715|Daunorubicin]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00744|Hydroxyproline]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C4H8NO || 86 || 18 || [[MassBank:KOX00002|A002]]&nbsp;[[MassBank:KOX00083|A138]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00205|D064]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00335|H048]]&nbsp;[[MassBank:KOX00368|I015]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00715|D106]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00744|H004]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C16H18N || 224 || 1 || [[MassBank:KOX00238|Etodolac]]&nbsp;  
+
| C16H18N || 224 || 1 || [[MassBank:KOX00238|E034]]&nbsp;  
 
|-
 
|-
  
−
| C21H17O8 || 397 || 1 || [[MassBank:KOX00205|Doxorubicin]]&nbsp;  
+
| C21H17O8 || 397 || 1 || [[MassBank:KOX00205|D064]]&nbsp;  
 
|-
 
|-
  
−
| C6H8O4P || 175 || 1 || [[MassBank:KOX00501|Phenyl phosphate]]&nbsp;  
+
| C6H8O4P || 175 || 1 || [[MassBank:KOX00501|P033]]&nbsp;  
 
|-
 
|-
  
−
| C5H7S || 99 || 3 || [[MassBank:KOX00606|Thiamine]]&nbsp;[[MassBank:KOX00608|Thiamine monophosphate]]&nbsp;[[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;  
+
| C5H7S || 99 || 3 || [[MassBank:KOX00606|T056]]&nbsp;[[MassBank:KOX00608|T057]]&nbsp;[[MassBank:KOX00775|M013]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N || 68 || 27 || [[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00215|Na,Na-Dimethylhistidine]]&nbsp;[[MassBank:KOX00229|Ectoine]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00335|cis-4-Hydroxyproline]]&nbsp;[[MassBank:KOX00487|Pro]]&nbsp;[[MassBank:KOX00508|Pipecolate]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00744|Hydroxyproline]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00887|Tropinone]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;  
+
| C4H6N || 68 || 27 || [[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00215|D131]]&nbsp;[[MassBank:KOX00229|E011]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00335|H048]]&nbsp;[[MassBank:KOX00487|P003]]&nbsp;[[MassBank:KOX00508|P048]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00744|H004]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00887|T061]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;  
 
|-
 
|-
  
−
| C22H30N7O5 || 472 || 1 || [[MassBank:KOX00526|Puromycin]]&nbsp;  
+
| C22H30N7O5 || 472 || 1 || [[MassBank:KOX00526|P075]]&nbsp;  
 
|-
 
|-
  
−
| C18H28N5O10S2 || 538 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C18H28N5O10S2 || 538 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C8H5 || 101 || 2 || [[MassBank:KOX00832|o-Phenanthroline]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;  
+
| C8H5 || 101 || 2 || [[MassBank:KOX00832|P057]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;  
 
|-
 
|-
  
−
| HO2S || 65 || 2 || [[MassBank:KOX00319|Hypotaurine]]&nbsp;[[MassBank:KOX00584|Taurine]]&nbsp;  
+
| HO2S || 65 || 2 || [[MassBank:KOX00319|H017]]&nbsp;[[MassBank:KOX00584|T004]]&nbsp;  
 
|-
 
|-
  
−
| C11H13N4 || 201 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C11H13N4 || 201 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C18H40NO2 || 302 || 1 || [[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;  
+
| C18H40NO2 || 302 || 1 || [[MassBank:KOX00710|D078]]&nbsp;  
 
|-
 
|-
  
−
| C2H6O4P || 125 || 2 || [[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;  
+
| C2H6O4P || 125 || 2 || [[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;  
 
|-
 
|-
  
−
| C4H8N || 70 || 33 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00064|a-Aminoadipate]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00279|Gly-Gly]]&nbsp;[[MassBank:KOX00306|TRH]]&nbsp;[[MassBank:KOX00364|Ile]]&nbsp;[[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;[[MassBank:KOX00440|N-Methylglutamate]]&nbsp;[[MassBank:KOX00474|L-Ornithine]]&nbsp;[[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00487|Pro]]&nbsp;[[MassBank:KOX00512|Propylthiouracil]]&nbsp;[[MassBank:KOX00635|Z-Gly-Pro]]&nbsp;[[MassBank:KOX00638|5-Aminoindole]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00652|Arginine ethyl ester]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00679|Bis(3-aminopropyl)amine]]&nbsp;[[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00743|Homoserine]]&nbsp;[[MassBank:KOX00752|Eflornithine]]&nbsp;[[MassBank:KOX00818|D-Ornithine]]&nbsp;[[MassBank:KOX00827|Piperazine]]&nbsp;[[MassBank:KOX00830|Pseudopelletierine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;[[MassBank:KOX00873|Trientine]]&nbsp;[[MassBank:KOX00874|Triethanolamine]]&nbsp;[[MassBank:KOX00890|Trifluoperazine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C4H8N || 70 || 33 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00064|A110]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00279|G037]]&nbsp;[[MassBank:KOX00306|G117]]&nbsp;[[MassBank:KOX00364|I008]]&nbsp;[[MassBank:KOX00398|L007]]&nbsp;[[MassBank:KOX00440|M067]]&nbsp;[[MassBank:KOX00474|O003]]&nbsp;[[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00487|P003]]&nbsp;[[MassBank:KOX00512|P055]]&nbsp;[[MassBank:KOX00635|Z003]]&nbsp;[[MassBank:KOX00638|A036]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00652|A103]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00679|B040]]&nbsp;[[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00743|H003]]&nbsp;[[MassBank:KOX00752|H097]]&nbsp;[[MassBank:KOX00818|O005]]&nbsp;[[MassBank:KOX00827|P046]]&nbsp;[[MassBank:KOX00830|P054]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;[[MassBank:KOX00873|T021]]&nbsp;[[MassBank:KOX00874|T022]]&nbsp;[[MassBank:KOX00890|T122]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C35H62NO12 || 688 || 1 || [[MassBank:KOX00820|Oleandomycin]]&nbsp;  
+
| C35H62NO12 || 688 || 1 || [[MassBank:KOX00820|O016]]&nbsp;  
 
|-
 
|-
  
−
| C12H14N3O || 216 || 1 || [[MassBank:KOX00648|Aminopyrine]]&nbsp;  
+
| C12H14N3O || 216 || 1 || [[MassBank:KOX00648|A069]]&nbsp;  
 
|-
 
|-
  
−
| C21H17O7 || 381 || 1 || [[MassBank:KOX00715|Daunorubicin]]&nbsp;  
+
| C21H17O7 || 381 || 1 || [[MassBank:KOX00715|D106]]&nbsp;  
 
|-
 
|-
  
−
| C15H10I2O4 || 508 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C15H10I2O4 || 508 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| CH5N3O3P || 138 || 1 || [[MassBank:KOX00843|Phosphocreatine]]&nbsp;  
+
| CH5N3O3P || 138 || 1 || [[MassBank:KOX00843|P084]]&nbsp;  
 
|-
 
|-
  
−
| C6H12NO || 114 || 5 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00641|N-Acetylputrescine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00874|Triethanolamine]]&nbsp;  
+
| C6H12NO || 114 || 5 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00641|A051]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00874|T022]]&nbsp;  
 
|-
 
|-
  
−
| C5H6N || 80 || 32 || [[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00107|4-Aminophenylsulfone]]&nbsp;[[MassBank:KOX00131|Bentazon]]&nbsp;[[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;[[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;[[MassBank:KOX00462|Nicotinate]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00577|Sulfathiazole]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00752|Eflornithine]]&nbsp;[[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00823|1,3-Phenylenediamine]]&nbsp;[[MassBank:KOX00825|Pyridine]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00853|Prowl (TM)]]&nbsp;[[MassBank:KOX00863|Sulfanilamide]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C5H6N || 80 || 32 || [[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00107|A220]]&nbsp;[[MassBank:KOX00131|B072]]&nbsp;[[MassBank:KOX00201|D057]]&nbsp;[[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00385|I050]]&nbsp;[[MassBank:KOX00462|N004]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00577|S079]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00752|H097]]&nbsp;[[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00775|M013]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00823|P035]]&nbsp;[[MassBank:KOX00825|P041]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00853|P183]]&nbsp;[[MassBank:KOX00863|S016]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C8H8N3O2 || 178 || 1 || [[MassBank:KOX00853|Prowl (TM)]]&nbsp;  
+
| C8H8N3O2 || 178 || 1 || [[MassBank:KOX00853|P183]]&nbsp;  
 
|-
 
|-
  
−
| C4H7N4O || 127 || 2 || [[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;[[MassBank:KOX00081|5-Amino-4-imidazolecarboxamide]]&nbsp;  
+
| C4H7N4O || 127 || 2 || [[MassBank:KOX00077|A133]]&nbsp;[[MassBank:KOX00081|A136]]&nbsp;  
 
|-
 
|-
  
−
| C10H11O3 || 179 || 2 || [[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;  
+
| C10H11O3 || 179 || 2 || [[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;  
 
|-
 
|-
  
−
| C4H9N2O || 101 || 2 || [[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00702|2,4-Diaminobutyrate]]&nbsp;  
+
| C4H9N2O || 101 || 2 || [[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00702|D038]]&nbsp;  
 
|-
 
|-
  
−
| C7H11S || 127 || 1 || [[MassBank:KOX00770|a-Lipoamide]]&nbsp;  
+
| C7H11S || 127 || 1 || [[MassBank:KOX00770|L031]]&nbsp;  
 
|-
 
|-
  
−
| C3H10O6P || 173 || 1 || [[MassBank:KOX00907|Glycerophosphate]]&nbsp;  
+
| C3H10O6P || 173 || 1 || [[MassBank:KOX00907|G030]]&nbsp;  
 
|-
 
|-
  
−
| C7H5 || 89 || 25 || [[MassBank:KOX00160|Chlorogenate]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00328|Harman]]&nbsp;[[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00638|5-Aminoindole]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C7H5 || 89 || 25 || [[MassBank:KOX00160|C063]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00328|H029]]&nbsp;[[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00638|A036]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C6H12NO4 || 162 || 7 || [[MassBank:KOX00064|a-Aminoadipate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00440|N-Methylglutamate]]&nbsp;[[MassBank:KOX00668|Amikacin]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;  
+
| C6H12NO4 || 162 || 7 || [[MassBank:KOX00064|A110]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00440|M067]]&nbsp;[[MassBank:KOX00668|A239]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;  
 
|-
 
|-
  
−
| C9H18N || 140 || 1 || [[MassBank:KOX00762|Ismelin]]&nbsp;  
+
| C9H18N || 140 || 1 || [[MassBank:KOX00762|I063]]&nbsp;  
 
|-
 
|-
  
−
| C4H10N3O2 || 132 || 2 || [[MassBank:KOX00683|Creatine]]&nbsp;[[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;  
+
| C4H10N3O2 || 132 || 2 || [[MassBank:KOX00683|C008]]&nbsp;[[MassBank:KOX00737|G039]]&nbsp;  
 
|-
 
|-
  
−
| C3H11N2 || 75 || 3 || [[MassBank:KOX00661|Amifostine]]&nbsp;[[MassBank:KOX00679|Bis(3-aminopropyl)amine]]&nbsp;[[MassBank:KOX00699|1,3-Diaminopropane]]&nbsp;  
+
| C3H11N2 || 75 || 3 || [[MassBank:KOX00661|A170]]&nbsp;[[MassBank:KOX00679|B040]]&nbsp;[[MassBank:KOX00699|D035]]&nbsp;  
 
|-
 
|-
  
−
| C12H22N5O2 || 268 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C12H22N5O2 || 268 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C3H2N || 52 || 35 || [[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00145|Cytosine]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00317|6-Hydroxynicotinate]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;[[MassBank:KOX00462|Nicotinate]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;[[MassBank:KOX00690|2-Cyanopyridine]]&nbsp;[[MassBank:KOX00724|N-Ethylmaleimide]]&nbsp;[[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;[[MassBank:KOX00732|4-Fluoroaniline]]&nbsp;[[MassBank:KOX00745|2-Hydroxypyridine]]&nbsp;[[MassBank:KOX00746|4-Hydroxymethylimidazole]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00756|Imidazole-4-acetate]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00802|4-Methylpyrazole]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;[[MassBank:KOX00824|Phenazopyridine]]&nbsp;[[MassBank:KOX00826|2-Picolate]]&nbsp;[[MassBank:KOX00829|Purine]]&nbsp;[[MassBank:KOX00832|o-Phenanthroline]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00841|Purine riboside]]&nbsp;[[MassBank:KOX00845|Pyrazole]]&nbsp;[[MassBank:KOX00846|Pyrazinamide]]&nbsp;[[MassBank:KOX00847|Picolinamide]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;  
+
| C3H2N || 52 || 35 || [[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00145|C033]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00317|H015]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;[[MassBank:KOX00462|N004]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;[[MassBank:KOX00690|C089]]&nbsp;[[MassBank:KOX00724|E008]]&nbsp;[[MassBank:KOX00730|F013]]&nbsp;[[MassBank:KOX00732|F048]]&nbsp;[[MassBank:KOX00745|H021]]&nbsp;[[MassBank:KOX00746|H025]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00756|I014]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00802|M124]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;[[MassBank:KOX00824|P036]]&nbsp;[[MassBank:KOX00826|P045]]&nbsp;[[MassBank:KOX00829|P049]]&nbsp;[[MassBank:KOX00832|P057]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00841|P081]]&nbsp;[[MassBank:KOX00845|P095]]&nbsp;[[MassBank:KOX00846|P098]]&nbsp;[[MassBank:KOX00847|P099]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;  
 
|-
 
|-
  
−
| C10H9N4 || 185 || 1 || [[MassBank:KOX00633|trans-Zeatin]]&nbsp;  
+
| C10H9N4 || 185 || 1 || [[MassBank:KOX00633|Z002]]&nbsp;  
 
|-
 
|-
  
−
| C8H5N3OS || 191 || 1 || [[MassBank:KOX00902|Albendazole]]&nbsp;  
+
| C8H5N3OS || 191 || 1 || [[MassBank:KOX00902|A082]]&nbsp;  
 
|-
 
|-
  
−
| C8H9N4 || 161 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C8H9N4 || 161 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C11H19N2O5 || 259 || 1 || [[MassBank:KOX00547|Ribostamycin]]&nbsp;  
+
| C11H19N2O5 || 259 || 1 || [[MassBank:KOX00547|R016]]&nbsp;  
 
|-
 
|-
  
−
| C8H6N3OS || 192 || 1 || [[MassBank:KOX00902|Albendazole]]&nbsp;  
+
| C8H6N3OS || 192 || 1 || [[MassBank:KOX00902|A082]]&nbsp;  
 
|-
 
|-
  
−
| C7H12NO2S || 174 || 1 || [[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;  
+
| C7H12NO2S || 174 || 1 || [[MassBank:KOX00051|A065]]&nbsp;  
 
|-
 
|-
  
−
| C3H8N || 58 || 42 || [[MassBank:KOX00039|a-Aminoisobutyrate]]&nbsp;[[MassBank:KOX00059|D-2-Aminobutyrate]]&nbsp;[[MassBank:KOX00113|(S)-2-Aminobutyrate]]&nbsp;[[MassBank:KOX00131|Bentazon]]&nbsp;[[MassBank:KOX00215|Na,Na-Dimethylhistidine]]&nbsp;[[MassBank:KOX00335|cis-4-Hydroxyproline]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00364|Ile]]&nbsp;[[MassBank:KOX00464|Norvaline]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00644|Acetylcholine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00661|Amifostine]]&nbsp;[[MassBank:KOX00665|2-Amino-2-methyl-1,3-propanediol]]&nbsp;[[MassBank:KOX00679|Bis(3-aminopropyl)amine]]&nbsp;[[MassBank:KOX00680|Betaine aldehyde]]&nbsp;[[MassBank:KOX00681|Betaine]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;[[MassBank:KOX00685|1,5-Diaminopentane]]&nbsp;[[MassBank:KOX00686|Carnitine]]&nbsp;[[MassBank:KOX00688|Carbachol]]&nbsp;[[MassBank:KOX00696|g-Butyrobetaine]]&nbsp;[[MassBank:KOX00699|1,3-Diaminopropane]]&nbsp;[[MassBank:KOX00700|N,N-Dimethylglycine]]&nbsp;[[MassBank:KOX00709|Desthiobiotin]]&nbsp;[[MassBank:KOX00744|Hydroxyproline]]&nbsp;[[MassBank:KOX00754|Hexamethylene tetramine]]&nbsp;[[MassBank:KOX00755|Isopropanolamine]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00771|Lidocaine]]&nbsp;[[MassBank:KOX00796|Methotrimeprazine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;[[MassBank:KOX00861|Spermidine]]&nbsp;[[MassBank:KOX00862|Spermine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;[[MassBank:KOX00884|Trimethylamine N-oxide]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;[[MassBank:KOX00908|Hexylamine]]&nbsp;  
+
| C3H8N || 58 || 42 || [[MassBank:KOX00039|A048]]&nbsp;[[MassBank:KOX00059|A087]]&nbsp;[[MassBank:KOX00113|A240]]&nbsp;[[MassBank:KOX00131|B072]]&nbsp;[[MassBank:KOX00215|D131]]&nbsp;[[MassBank:KOX00335|H048]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00364|I008]]&nbsp;[[MassBank:KOX00464|N009]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00644|A060]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00654|A111]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00661|A170]]&nbsp;[[MassBank:KOX00665|A224]]&nbsp;[[MassBank:KOX00679|B040]]&nbsp;[[MassBank:KOX00680|B044]]&nbsp;[[MassBank:KOX00681|B047]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;[[MassBank:KOX00685|C032]]&nbsp;[[MassBank:KOX00686|C041]]&nbsp;[[MassBank:KOX00688|C044]]&nbsp;[[MassBank:KOX00696|C220]]&nbsp;[[MassBank:KOX00699|D035]]&nbsp;[[MassBank:KOX00700|D036]]&nbsp;[[MassBank:KOX00709|D075]]&nbsp;[[MassBank:KOX00744|H004]]&nbsp;[[MassBank:KOX00754|H112]]&nbsp;[[MassBank:KOX00755|I011]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00771|L034]]&nbsp;[[MassBank:KOX00796|M099]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;[[MassBank:KOX00861|S003]]&nbsp;[[MassBank:KOX00862|S011]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;[[MassBank:KOX00884|T051]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;[[MassBank:KOX00908|H024]]&nbsp;  
 
|-
 
|-
  
−
| C7H13N2O3 || 173 || 1 || [[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;  
+
| C7H13N2O3 || 173 || 1 || [[MassBank:KOX00900|D030]]&nbsp;  
 
|-
 
|-
  
−
| C9H19N4O4 || 247 || 1 || [[MassBank:KOX00478|Octopine]]&nbsp;  
+
| C9H19N4O4 || 247 || 1 || [[MassBank:KOX00478|O009]]&nbsp;  
 
|-
 
|-
  
−
| C14H11I3NO2 || 606 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C14H11I3NO2 || 606 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C6H8N5O || 166 || 2 || [[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;  
+
| C6H8N5O || 166 || 2 || [[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;  
 
|-
 
|-
  
−
| C4H7ClN3 || 132 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| C4H7ClN3 || 132 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C16H17N2O4S || 333 || 1 || [[MassBank:KOX00504|Piperacillin]]&nbsp;  
+
| C16H17N2O4S || 333 || 1 || [[MassBank:KOX00504|P039]]&nbsp;  
 
|-
 
|-
  
−
| C7H15N2O4 || 191 || 1 || [[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;  
+
| C7H15N2O4 || 191 || 1 || [[MassBank:KOX00900|D030]]&nbsp;  
 
|-
 
|-
  
−
| C7H7S || 123 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C7H7S || 123 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C3H2N3 || 80 || 1 || [[MassBank:KOX00897|Xanthopterin]]&nbsp;  
+
| C3H2N3 || 80 || 1 || [[MassBank:KOX00897|X012]]&nbsp;  
 
|-
 
|-
  
−
| C11H16N5O4 || 282 || 1 || [[MassBank:KOX00787|1-Methyladenosine]]&nbsp;  
+
| C11H16N5O4 || 282 || 1 || [[MassBank:KOX00787|M051]]&nbsp;  
 
|-
 
|-
  
−
| C6H6N || 92 || 33 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00107|4-Aminophenylsulfone]]&nbsp;[[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00131|Bentazon]]&nbsp;[[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;[[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00371|Isatin]]&nbsp;[[MassBank:KOX00467|p-Nitroaniline]]&nbsp;[[MassBank:KOX00577|Sulfathiazole]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00656|2-Aminophenol]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;[[MassBank:KOX00693|Carbendazim]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00704|Diphenylamine]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00789|N-Methylaniline]]&nbsp;[[MassBank:KOX00823|1,3-Phenylenediamine]]&nbsp;[[MassBank:KOX00824|Phenazopyridine]]&nbsp;[[MassBank:KOX00828|Phenylethylamine]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00853|Prowl (TM)]]&nbsp;[[MassBank:KOX00854|Procaine]]&nbsp;[[MassBank:KOX00863|Sulfanilamide]]&nbsp;[[MassBank:KOX00877|Thiabendazole]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;  
+
| C6H6N || 92 || 33 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00107|A220]]&nbsp;[[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00131|B072]]&nbsp;[[MassBank:KOX00221|D166]]&nbsp;[[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00371|I019]]&nbsp;[[MassBank:KOX00467|N012]]&nbsp;[[MassBank:KOX00577|S079]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00656|A114]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;[[MassBank:KOX00693|C170]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00704|D044]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00789|M066]]&nbsp;[[MassBank:KOX00823|P035]]&nbsp;[[MassBank:KOX00824|P036]]&nbsp;[[MassBank:KOX00828|P047]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00853|P183]]&nbsp;[[MassBank:KOX00854|P190]]&nbsp;[[MassBank:KOX00863|S016]]&nbsp;[[MassBank:KOX00877|T028]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;  
 
|-
 
|-
  
−
| C14H15O3 || 231 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C14H15O3 || 231 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C18H36NO || 282 || 1 || [[MassBank:KOX00518|Psychosine]]&nbsp;  
+
| C18H36NO || 282 || 1 || [[MassBank:KOX00518|P067]]&nbsp;  
 
|-
 
|-
  
−
| CH2NS || 60 || 1 || [[MassBank:KOX00512|Propylthiouracil]]&nbsp;  
+
| CH2NS || 60 || 1 || [[MassBank:KOX00512|P055]]&nbsp;  
 
|-
 
|-
  
−
| C4H2N3O || 108 || 1 || [[MassBank:KOX00897|Xanthopterin]]&nbsp;  
+
| C4H2N3O || 108 || 1 || [[MassBank:KOX00897|X012]]&nbsp;  
 
|-
 
|-
  
−
| C6H3N4O2 || 163 || 1 || [[MassBank:KOX00897|Xanthopterin]]&nbsp;  
+
| C6H3N4O2 || 163 || 1 || [[MassBank:KOX00897|X012]]&nbsp;  
 
|-
 
|-
  
−
| C5H9N2O || 113 || 3 || [[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C5H9N2O || 113 || 3 || [[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C9H10O2 || 150 || 1 || [[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C9H10O2 || 150 || 1 || [[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C9H10Cl2N3 || 230 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C9H10Cl2N3 || 230 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C20H18FO3S || 357 || 1 || [[MassBank:KOX00869|Sulindac]]&nbsp;  
+
| C20H18FO3S || 357 || 1 || [[MassBank:KOX00869|S054]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N3O2 || 144 || 1 || [[MassBank:KOX00552|Ranitidine]]&nbsp;  
+
| C5H10N3O2 || 144 || 1 || [[MassBank:KOX00552|R041]]&nbsp;  
 
|-
 
|-
  
−
| C20H18NO4 || 336 || 3 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;[[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C20H18NO4 || 336 || 3 || [[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;[[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C5H8NO2S || 146 || 1 || [[MassBank:KOX00254|N-Formylmethionine]]&nbsp;  
+
| C5H8NO2S || 146 || 1 || [[MassBank:KOX00254|F034]]&nbsp;  
 
|-
 
|-
  
−
| C10H17N2O2 || 197 || 1 || [[MassBank:KOX00709|Desthiobiotin]]&nbsp;  
+
| C10H17N2O2 || 197 || 1 || [[MassBank:KOX00709|D075]]&nbsp;  
 
|-
 
|-
  
−
| C12H14N || 172 || 1 || [[MassBank:KOX00238|Etodolac]]&nbsp;  
+
| C12H14N || 172 || 1 || [[MassBank:KOX00238|E034]]&nbsp;  
 
|-
 
|-
  
−
| C10H19N2 || 167 || 1 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;  
+
| C10H19N2 || 167 || 1 || [[MassBank:KOX00396|L006]]&nbsp;  
 
|-
 
|-
  
−
| C6H13N4 || 141 || 3 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;[[MassBank:KOX00672|Buformin]]&nbsp;[[MassBank:KOX00754|Hexamethylene tetramine]]&nbsp;  
+
| C6H13N4 || 141 || 3 || [[MassBank:KOX00396|L006]]&nbsp;[[MassBank:KOX00672|B010]]&nbsp;[[MassBank:KOX00754|H112]]&nbsp;  
 
|-
 
|-
  
−
| C12H21N4O2 || 253 || 1 || [[MassBank:KOX00894|Velpar]]&nbsp;  
+
| C12H21N4O2 || 253 || 1 || [[MassBank:KOX00894|V020]]&nbsp;  
 
|-
 
|-
  
−
| C4H2NO2 || 96 || 1 || [[MassBank:KOX00893|Uridine]]&nbsp;  
+
| C4H2NO2 || 96 || 1 || [[MassBank:KOX00893|U006]]&nbsp;  
 
|-
 
|-
  
−
| C23H23N2O6 || 423 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C23H23N2O6 || 423 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C6H6O2 || 110 || 1 || [[MassBank:KOX00892|Terbutaline]]&nbsp;  
+
| C6H6O2 || 110 || 1 || [[MassBank:KOX00892|T126]]&nbsp;  
 
|-
 
|-
  
−
| C2H8N || 46 || 2 || [[MassBank:KOX00714|Dimethylamine]]&nbsp;[[MassBank:KOX00909|Isobutylamine]]&nbsp;  
+
| C2H8N || 46 || 2 || [[MassBank:KOX00714|D103]]&nbsp;[[MassBank:KOX00909|I064]]&nbsp;  
 
|-
 
|-
  
−
| C12H20NO3 || 226 || 1 || [[MassBank:KOX00892|Terbutaline]]&nbsp;  
+
| C12H20NO3 || 226 || 1 || [[MassBank:KOX00892|T126]]&nbsp;  
 
|-
 
|-
  
−
| C5H4ClS || 131 || 1 || [[MassBank:KOX00891|Tioconazole]]&nbsp;  
+
| C5H4ClS || 131 || 1 || [[MassBank:KOX00891|T123]]&nbsp;  
 
|-
 
|-
  
−
| C15H10O4 || 254 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C15H10O4 || 254 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C16H14Cl3N2OS || 387 || 1 || [[MassBank:KOX00891|Tioconazole]]&nbsp;  
+
| C16H14Cl3N2OS || 387 || 1 || [[MassBank:KOX00891|T123]]&nbsp;  
 
|-
 
|-
  
−
| C16H11O2 || 235 || 1 || [[MassBank:KOX00836|Protopine]]&nbsp;  
+
| C16H11O2 || 235 || 1 || [[MassBank:KOX00836|P070]]&nbsp;  
 
|-
 
|-
  
−
| C11H11N2 || 171 || 2 || [[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;  
+
| C11H11N2 || 171 || 2 || [[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;  
 
|-
 
|-
  
−
| C3H9S || 77 || 1 || [[MassBank:KOX00885|Trimethylsulfonium]]&nbsp;  
+
| C3H9S || 77 || 1 || [[MassBank:KOX00885|T058]]&nbsp;  
 
|-
 
|-
  
−
| C14H9F3N || 248 || 1 || [[MassBank:KOX00890|Trifluoperazine]]&nbsp;  
+
| C14H9F3N || 248 || 1 || [[MassBank:KOX00890|T122]]&nbsp;  
 
|-
 
|-
  
−
| C10H6NO3 || 188 || 1 || [[MassBank:KOX00628|Xanthurenate]]&nbsp;  
+
| C10H6NO3 || 188 || 1 || [[MassBank:KOX00628|X004]]&nbsp;  
 
|-
 
|-
  
−
| C4H9O3 || 105 || 2 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;  
+
| C4H9O3 || 105 || 2 || [[MassBank:KOX00539|P122]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;  
 
|-
 
|-
  
−
| C7H7N2O || 135 || 2 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00131|Bentazon]]&nbsp;  
+
| C7H7N2O || 135 || 2 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00131|B072]]&nbsp;  
 
|-
 
|-
  
−
| C14H9F3NS || 280 || 1 || [[MassBank:KOX00890|Trifluoperazine]]&nbsp;  
+
| C14H9F3NS || 280 || 1 || [[MassBank:KOX00890|T122]]&nbsp;  
 
|-
 
|-
  
−
| C7H12N3O2 || 170 || 4 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;  
+
| C7H12N3O2 || 170 || 4 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;  
 
|-
 
|-
  
−
| C9H19N2O || 171 || 2 || [[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;  
+
| C9H19N2O || 171 || 2 || [[MassBank:KOX00654|A111]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;  
 
|-
 
|-
  
−
| C13H9ClN || 214 || 2 || [[MassBank:KOX00213|Diclofenac]]&nbsp;[[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C13H9ClN || 214 || 2 || [[MassBank:KOX00213|D128]]&nbsp;[[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C7H9N2O2 || 153 || 2 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;  
+
| C7H9N2O2 || 153 || 2 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;  
 
|-
 
|-
  
−
| C14H11I2NO2 || 479 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C14H11I2NO2 || 479 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C6H9N2O || 125 || 2 || [[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;  
+
| C6H9N2O || 125 || 2 || [[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;  
 
|-
 
|-
  
−
| C12H27N4O6 || 323 || 1 || [[MassBank:KOX00547|Ribostamycin]]&nbsp;  
+
| C12H27N4O6 || 323 || 1 || [[MassBank:KOX00547|R016]]&nbsp;  
 
|-
 
|-
  
−
| C7H4Cl || 123 || 1 || [[MassBank:KOX00889|Tilt (TM)]]&nbsp;  
+
| C7H4Cl || 123 || 1 || [[MassBank:KOX00889|T108]]&nbsp;  
 
|-
 
|-
  
−
| C7H17N2 || 129 || 4 || [[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00861|Spermidine]]&nbsp;[[MassBank:KOX00862|Spermine]]&nbsp;  
+
| C7H17N2 || 129 || 4 || [[MassBank:KOX00654|A111]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00861|S003]]&nbsp;[[MassBank:KOX00862|S011]]&nbsp;  
 
|-
 
|-
  
−
| C8H9NO2 || 151 || 1 || [[MassBank:KOX00236|Epinephrine]]&nbsp;  
+
| C8H9NO2 || 151 || 1 || [[MassBank:KOX00236|E033]]&nbsp;  
 
|-
 
|-
  
−
| C21H13O6 || 361 || 1 || [[MassBank:KOX00205|Doxorubicin]]&nbsp;  
+
| C21H13O6 || 361 || 1 || [[MassBank:KOX00205|D064]]&nbsp;  
 
|-
 
|-
  
−
| C2H2N3 || 68 || 3 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;[[MassBank:KOX00672|Buformin]]&nbsp;[[MassBank:KOX00781|Metformin]]&nbsp;  
+
| C2H2N3 || 68 || 3 || [[MassBank:KOX00664|A203]]&nbsp;[[MassBank:KOX00672|B010]]&nbsp;[[MassBank:KOX00781|M032]]&nbsp;  
 
|-
 
|-
  
−
| C7H5Cl2 || 159 || 1 || [[MassBank:KOX00889|Tilt (TM)]]&nbsp;  
+
| C7H5Cl2 || 159 || 1 || [[MassBank:KOX00889|T108]]&nbsp;  
 
|-
 
|-
  
−
| C12H13Cl2O2 || 259 || 1 || [[MassBank:KOX00889|Tilt (TM)]]&nbsp;  
+
| C12H13Cl2O2 || 259 || 1 || [[MassBank:KOX00889|T108]]&nbsp;  
 
|-
 
|-
  
−
| C15H18N3O2Cl2 || 272 || 1 || [[MassBank:KOX00889|Tilt (TM)]]&nbsp;  
+
| C15H18N3O2Cl2 || 272 || 1 || [[MassBank:KOX00889|T108]]&nbsp;  
 
|-
 
|-
  
−
| C42H63O16 || 823 || 1 || [[MassBank:KOX00286|Glycyrrhizate]]&nbsp;  
+
| C42H63O16 || 823 || 1 || [[MassBank:KOX00286|G057]]&nbsp;  
 
|-
 
|-
  
−
| C9H16N4O8P || 339 || 1 || [[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;  
+
| C9H16N4O8P || 339 || 1 || [[MassBank:KOX00077|A133]]&nbsp;  
 
|-
 
|-
  
−
| C6H9N4 || 137 || 4 || [[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C6H9N4 || 137 || 4 || [[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N3OS || 144 || 1 || [[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C4H6N3OS || 144 || 1 || [[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C6H10N3OS || 172 || 1 || [[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C6H10N3OS || 172 || 1 || [[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C8H17N4O2 || 201 || 1 || [[MassBank:KOX00478|Octopine]]&nbsp;  
+
| C8H17N4O2 || 201 || 1 || [[MassBank:KOX00478|O009]]&nbsp;  
 
|-
 
|-
  
−
| C11H19N2O || 195 || 1 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;  
+
| C11H19N2O || 195 || 1 || [[MassBank:KOX00396|L006]]&nbsp;  
 
|-
 
|-
  
−
| C6H10N3O2S || 188 || 1 || [[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C6H10N3O2S || 188 || 1 || [[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C4H4N3 || 94 || 27 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00054|Acyclovir]]&nbsp;[[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00145|Cytosine]]&nbsp;[[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;[[MassBank:KOX00197|2'-Deoxycytidine]]&nbsp;[[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;[[MassBank:KOX00315|Hypoxanthine]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;[[MassBank:KOX00526|Puromycin]]&nbsp;[[MassBank:KOX00631|Zalcitabine]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;[[MassBank:KOX00708|2'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00711|5'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00787|1-Methyladenosine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00829|Purine]]&nbsp;[[MassBank:KOX00841|Purine riboside]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C4H4N3 || 94 || 27 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00054|A071]]&nbsp;[[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00145|C033]]&nbsp;[[MassBank:KOX00174|C119]]&nbsp;[[MassBank:KOX00197|D055]]&nbsp;[[MassBank:KOX00245|F014]]&nbsp;[[MassBank:KOX00315|H014]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00435|M054]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;[[MassBank:KOX00526|P075]]&nbsp;[[MassBank:KOX00631|Z001]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00707|D067]]&nbsp;[[MassBank:KOX00708|D069]]&nbsp;[[MassBank:KOX00711|D082]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00787|M051]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00829|P049]]&nbsp;[[MassBank:KOX00841|P081]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C6H5OS || 125 || 1 || [[MassBank:KOX00552|Ranitidine]]&nbsp;  
+
| C6H5OS || 125 || 1 || [[MassBank:KOX00552|R041]]&nbsp;  
 
|-
 
|-
  
−
| C16H18N3O || 268 || 1 || [[MassBank:KOX00692|Ciprofloxacin]]&nbsp;  
+
| C16H18N3O || 268 || 1 || [[MassBank:KOX00692|C133]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N2O4P || 177 || 1 || [[MassBank:KOX00843|Phosphocreatine]]&nbsp;  
+
| C4H6N2O4P || 177 || 1 || [[MassBank:KOX00843|P084]]&nbsp;  
 
|-
 
|-
  
−
| C6H12NO3 || 146 || 2 || [[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;  
+
| C6H12NO3 || 146 || 2 || [[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;  
 
|-
 
|-
  
−
| C5H3N4 || 119 || 13 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00027|Adenylosuccinate]]&nbsp;[[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;[[MassBank:KOX00315|Hypoxanthine]]&nbsp;[[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;[[MassBank:KOX00708|2'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00711|5'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00787|1-Methyladenosine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C5H3N4 || 119 || 13 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00027|A037]]&nbsp;[[MassBank:KOX00245|F014]]&nbsp;[[MassBank:KOX00315|H014]]&nbsp;[[MassBank:KOX00435|M054]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00707|D067]]&nbsp;[[MassBank:KOX00708|D069]]&nbsp;[[MassBank:KOX00711|D082]]&nbsp;[[MassBank:KOX00787|M051]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C9H14N3O3S || 244 || 1 || [[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C9H14N3O3S || 244 || 1 || [[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C9H17N4O3S || 261 || 1 || [[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C9H17N4O3S || 261 || 1 || [[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C5H5N || 79 || 7 || [[MassBank:KOX00388|Isonicotinate hydrazide]]&nbsp;[[MassBank:KOX00462|Nicotinate]]&nbsp;[[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;  
+
| C5H5N || 79 || 7 || [[MassBank:KOX00388|I066]]&nbsp;[[MassBank:KOX00462|N004]]&nbsp;[[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;  
 
|-
 
|-
  
−
| C6H19N4 || 147 || 1 || [[MassBank:KOX00873|Trientine]]&nbsp;  
+
| C6H19N4 || 147 || 1 || [[MassBank:KOX00873|T021]]&nbsp;  
 
|-
 
|-
  
−
| C13H25N4O3S || 317 || 1 || [[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C13H25N4O3S || 317 || 1 || [[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C12H13N2O3 || 233 || 1 || [[MassBank:KOX00817|Nalidixate]]&nbsp;  
+
| C12H13N2O3 || 233 || 1 || [[MassBank:KOX00817|N067]]&nbsp;  
 
|-
 
|-
  
−
| C14H23N2O || 235 || 1 || [[MassBank:KOX00771|Lidocaine]]&nbsp;  
+
| C14H23N2O || 235 || 1 || [[MassBank:KOX00771|L034]]&nbsp;  
 
|-
 
|-
  
−
| C6H12N || 98 || 8 || [[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00679|Bis(3-aminopropyl)amine]]&nbsp;[[MassBank:KOX00709|Desthiobiotin]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;[[MassBank:KOX00820|Oleandomycin]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;[[MassBank:KOX00887|Tropinone]]&nbsp;  
+
| C6H12N || 98 || 8 || [[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00679|B040]]&nbsp;[[MassBank:KOX00709|D075]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;[[MassBank:KOX00820|O016]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;[[MassBank:KOX00887|T061]]&nbsp;  
 
|-
 
|-
  
−
| C5H2N3S || 136 || 1 || [[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;  
+
| C5H2N3S || 136 || 1 || [[MassBank:KOX00435|M054]]&nbsp;  
 
|-
 
|-
  
−
| C5H13N4 || 129 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C5H13N4 || 129 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| CH3S || 47 || 1 || [[MassBank:KOX00885|Trimethylsulfonium]]&nbsp;  
+
| CH3S || 47 || 1 || [[MassBank:KOX00885|T058]]&nbsp;  
 
|-
 
|-
  
−
| C9H9NO2 || 163 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C9H9NO2 || 163 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C8H17N2 || 141 || 1 || [[MassBank:KOX00890|Trifluoperazine]]&nbsp;  
+
| C8H17N2 || 141 || 1 || [[MassBank:KOX00890|T122]]&nbsp;  
 
|-
 
|-
  
−
| C9H9O2 || 149 || 4 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;  
+
| C9H9O2 || 149 || 4 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;  
 
|-
 
|-
  
−
| C13H20N3O4 || 282 || 1 || [[MassBank:KOX00853|Prowl (TM)]]&nbsp;  
+
| C13H20N3O4 || 282 || 1 || [[MassBank:KOX00853|P183]]&nbsp;  
 
|-
 
|-
  
−
| C10H18N || 152 || 1 || [[MassBank:KOX00645|1-Adamantanamine]]&nbsp;  
+
| C10H18N || 152 || 1 || [[MassBank:KOX00645|A061]]&nbsp;  
 
|-
 
|-
  
−
| C10H13O2 || 165 || 2 || [[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C10H13O2 || 165 || 2 || [[MassBank:KOX00882|T041]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C20H22NO4 || 340 || 1 || [[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;  
+
| C20H22NO4 || 340 || 1 || [[MassBank:KOX00882|T041]]&nbsp;  
 
|-
 
|-
  
−
| C21H26NO4 || 356 || 1 || [[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;  
+
| C21H26NO4 || 356 || 1 || [[MassBank:KOX00882|T041]]&nbsp;  
 
|-
 
|-
  
−
| C6H14O9P || 261 || 4 || [[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00272|Glucose 1-phosphate]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;  
+
| C6H14O9P || 261 || 4 || [[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00272|G020]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00611|T065]]&nbsp;  
 
|-
 
|-
  
−
| C11H11N4O || 215 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C11H11N4O || 215 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C5H10NO2S || 148 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C5H10NO2S || 148 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C4H4N3O || 110 || 9 || [[MassBank:KOX00054|Acyclovir]]&nbsp;[[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;[[MassBank:KOX00081|5-Amino-4-imidazolecarboxamide]]&nbsp;[[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;[[MassBank:KOX00266|Guanosine]]&nbsp;[[MassBank:KOX00300|Ganciclovir]]&nbsp;[[MassBank:KOX00315|Hypoxanthine]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00851|Penciclovir]]&nbsp;  
+
| C4H4N3O || 110 || 9 || [[MassBank:KOX00054|A071]]&nbsp;[[MassBank:KOX00077|A133]]&nbsp;[[MassBank:KOX00081|A136]]&nbsp;[[MassBank:KOX00201|D057]]&nbsp;[[MassBank:KOX00266|G015]]&nbsp;[[MassBank:KOX00300|G088]]&nbsp;[[MassBank:KOX00315|H014]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00851|P157]]&nbsp;  
 
|-
 
|-
  
−
| C12H13N4O || 229 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C12H13N4O || 229 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C12H13N4O2 || 245 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C12H13N4O2 || 245 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C3H10NO || 76 || 3 || [[MassBank:KOX00709|Desthiobiotin]]&nbsp;[[MassBank:KOX00755|Isopropanolamine]]&nbsp;[[MassBank:KOX00884|Trimethylamine N-oxide]]&nbsp;  
+
| C3H10NO || 76 || 3 || [[MassBank:KOX00709|D075]]&nbsp;[[MassBank:KOX00755|I011]]&nbsp;[[MassBank:KOX00884|T051]]&nbsp;  
 
|-
 
|-
  
−
| C3H5N2S || 101 || 1 || [[MassBank:KOX00577|Sulfathiazole]]&nbsp;  
+
| C3H5N2S || 101 || 1 || [[MassBank:KOX00577|S079]]&nbsp;  
 
|-
 
|-
  
−
| C6H4F || 95 || 1 || [[MassBank:KOX00732|4-Fluoroaniline]]&nbsp;  
+
| C6H4F || 95 || 1 || [[MassBank:KOX00732|F048]]&nbsp;  
 
|-
 
|-
  
−
| C7H11 || 95 || 4 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;[[MassBank:KOX00731|Fenfluramine]]&nbsp;[[MassBank:KOX00784|Mecamylamine]]&nbsp;  
+
| C7H11 || 95 || 4 || [[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00710|D078]]&nbsp;[[MassBank:KOX00731|F016]]&nbsp;[[MassBank:KOX00784|M039]]&nbsp;  
 
|-
 
|-
  
−
| C14H19N4O3 || 291 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C14H19N4O3 || 291 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C6H7NS || 125 || 1 || [[MassBank:KOX00231|Ethionamide]]&nbsp;  
+
| C6H7NS || 125 || 1 || [[MassBank:KOX00231|E012]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N2 || 161 || 2 || [[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;  
+
| C10H13N2 || 161 || 2 || [[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;  
 
|-
 
|-
  
−
| C9H8N3 || 158 || 1 || [[MassBank:KOX00877|Thiabendazole]]&nbsp;  
+
| C9H8N3 || 158 || 1 || [[MassBank:KOX00877|T028]]&nbsp;  
 
|-
 
|-
  
−
| C16H18NO || 240 || 1 || [[MassBank:KOX00133|Bumetanide]]&nbsp;  
+
| C16H18NO || 240 || 1 || [[MassBank:KOX00133|B093]]&nbsp;  
 
|-
 
|-
  
−
| C15H12NO || 222 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C15H12NO || 222 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C6H7N4 || 135 || 1 || [[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C6H7N4 || 135 || 1 || [[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C7H7N4O || 163 || 1 || [[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C7H7N4O || 163 || 1 || [[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C8H10N3O2 || 180 || 3 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C8H10N3O2 || 180 || 3 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C14H22N3O3 || 280 || 1 || [[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C14H22N3O3 || 280 || 1 || [[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C12H10O || 170 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C12H10O || 170 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C5H12N || 86 || 23 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00090|N-Acetylleucine]]&nbsp;[[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00295|Gly-Leu]]&nbsp;[[MassBank:KOX00364|Ile]]&nbsp;[[MassBank:KOX00391|Leu]]&nbsp;[[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;[[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;[[MassBank:KOX00469|Norleucine]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00539|Phosphoramidon]]&nbsp;[[MassBank:KOX00616|Triadimefon]]&nbsp;[[MassBank:KOX00644|Acetylcholine]]&nbsp;[[MassBank:KOX00679|Bis(3-aminopropyl)amine]]&nbsp;[[MassBank:KOX00685|1,5-Diaminopentane]]&nbsp;[[MassBank:KOX00688|Carbachol]]&nbsp;[[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00771|Lidocaine]]&nbsp;[[MassBank:KOX00773|b-Leucine]]&nbsp;[[MassBank:KOX00822|Piperidine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;  
+
| C5H12N || 86 || 23 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00090|A145]]&nbsp;[[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00295|G071]]&nbsp;[[MassBank:KOX00364|I008]]&nbsp;[[MassBank:KOX00391|L003]]&nbsp;[[MassBank:KOX00396|L006]]&nbsp;[[MassBank:KOX00398|L007]]&nbsp;[[MassBank:KOX00469|N014]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00539|P122]]&nbsp;[[MassBank:KOX00616|T112]]&nbsp;[[MassBank:KOX00644|A060]]&nbsp;[[MassBank:KOX00679|B040]]&nbsp;[[MassBank:KOX00685|C032]]&nbsp;[[MassBank:KOX00688|C044]]&nbsp;[[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00771|L034]]&nbsp;[[MassBank:KOX00773|L057]]&nbsp;[[MassBank:KOX00822|P034]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;  
 
|-
 
|-
  
−
| C10H17N2O3S || 245 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C10H17N2O3S || 245 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C7H5NS2 || 167 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C7H5NS2 || 167 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C4H10N3S || 132 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C4H10N3S || 132 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C12H14NO2 || 204 || 1 || [[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;  
+
| C12H14NO2 || 204 || 1 || [[MassBank:KOX00377|I025]]&nbsp;  
 
|-
 
|-
  
−
| C17H11NO2 || 261 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C17H11NO2 || 261 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C18H13FS || 280 || 1 || [[MassBank:KOX00869|Sulindac]]&nbsp;  
+
| C18H13FS || 280 || 1 || [[MassBank:KOX00869|S054]]&nbsp;  
 
|-
 
|-
  
−
| C10H14N5O || 220 || 1 || [[MassBank:KOX00633|trans-Zeatin]]&nbsp;  
+
| C10H14N5O || 220 || 1 || [[MassBank:KOX00633|Z002]]&nbsp;  
 
|-
 
|-
  
−
| C19H16FO2 || 295 || 1 || [[MassBank:KOX00869|Sulindac]]&nbsp;  
+
| C19H16FO2 || 295 || 1 || [[MassBank:KOX00869|S054]]&nbsp;  
 
|-
 
|-
  
−
| C11H15N2O2 || 207 || 1 || [[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C11H15N2O2 || 207 || 1 || [[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C15H14N3O4S || 332 || 1 || [[MassBank:KOX00520|Piroxicam]]&nbsp;  
+
| C15H14N3O4S || 332 || 1 || [[MassBank:KOX00520|P068]]&nbsp;  
 
|-
 
|-
  
−
| C10H9Cl2NO || 229 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C10H9Cl2NO || 229 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C8H10O2 || 138 || 1 || [[MassBank:KOX00808|Methoxamine]]&nbsp;  
+
| C8H10O2 || 138 || 1 || [[MassBank:KOX00808|M169]]&nbsp;  
 
|-
 
|-
  
−
| C14H25N2O7 || 333 || 1 || [[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C14H25N2O7 || 333 || 1 || [[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C6H11O2S || 147 || 1 || [[MassBank:KOX00729|Ethionine]]&nbsp;  
+
| C6H11O2S || 147 || 1 || [[MassBank:KOX00729|E056]]&nbsp;  
 
|-
 
|-
  
−
| C3H7O2 || 75 || 2 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;[[MassBank:KOX00907|Glycerophosphate]]&nbsp;  
+
| C3H7O2 || 75 || 2 || [[MassBank:KOX00867|S042]]&nbsp;[[MassBank:KOX00907|G030]]&nbsp;  
 
|-
 
|-
  
−
| C9H22N3O || 188 || 1 || [[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;  
+
| C9H22N3O || 188 || 1 || [[MassBank:KOX00655|A112]]&nbsp;  
 
|-
 
|-
  
−
| C11H16NO2 || 194 || 1 || [[MassBank:KOX00808|Methoxamine]]&nbsp;  
+
| C11H16NO2 || 194 || 1 || [[MassBank:KOX00808|M169]]&nbsp;  
 
|-
 
|-
  
−
| C10H10NO || 160 || 3 || [[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;  
+
| C10H10NO || 160 || 3 || [[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;  
 
|-
 
|-
  
−
| C16H12N || 218 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C16H12N || 218 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C6H10NO || 112 || 5 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00512|Propylthiouracil]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00769|Lysinamide]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C6H10NO || 112 || 5 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00512|P055]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00769|L027]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C17H12NO || 246 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C17H12NO || 246 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C17H10F || 233 || 1 || [[MassBank:KOX00869|Sulindac]]&nbsp;  
+
| C17H10F || 233 || 1 || [[MassBank:KOX00869|S054]]&nbsp;  
 
|-
 
|-
  
−
| C18H12NO2 || 274 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C18H12NO2 || 274 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C4H12NO3 || 122 || 1 || [[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;  
+
| C4H12NO3 || 122 || 1 || [[MassBank:KOX00662|A194]]&nbsp;  
 
|-
 
|-
  
−
| C11H22N3O || 212 || 1 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;  
+
| C11H22N3O || 212 || 1 || [[MassBank:KOX00396|L006]]&nbsp;  
 
|-
 
|-
  
−
| C19H12NO3 || 302 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C19H12NO3 || 302 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C11H14N3O || 204 || 1 || [[MassBank:KOX00604|Tryptophanamide]]&nbsp;  
+
| C11H14N3O || 204 || 1 || [[MassBank:KOX00604|T054]]&nbsp;  
 
|-
 
|-
  
−
| C3H9O3 || 93 || 2 || [[MassBank:KOX00075|2-Amino-3-phosphonopropionate]]&nbsp;[[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;  
+
| C3H9O3 || 93 || 2 || [[MassBank:KOX00075|A131]]&nbsp;[[MassBank:KOX00201|D057]]&nbsp;  
 
|-
 
|-
  
−
| C4H12N || 74 || 5 || [[MassBank:KOX00672|Buformin]]&nbsp;[[MassBank:KOX00680|Betaine aldehyde]]&nbsp;[[MassBank:KOX00718|Diethyl-2-phenylacetamide]]&nbsp;[[MassBank:KOX00908|Hexylamine]]&nbsp;[[MassBank:KOX00909|Isobutylamine]]&nbsp;  
+
| C4H12N || 74 || 5 || [[MassBank:KOX00672|B010]]&nbsp;[[MassBank:KOX00680|B044]]&nbsp;[[MassBank:KOX00718|D122]]&nbsp;[[MassBank:KOX00908|H024]]&nbsp;[[MassBank:KOX00909|I064]]&nbsp;  
 
|-
 
|-
  
−
| C9H10N3O2 || 192 || 2 || [[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00693|Carbendazim]]&nbsp;  
+
| C9H10N3O2 || 192 || 2 || [[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00693|C170]]&nbsp;  
 
|-
 
|-
  
−
| C5H7N3 || 109 || 1 || [[MassBank:KOX00824|Phenazopyridine]]&nbsp;  
+
| C5H7N3 || 109 || 1 || [[MassBank:KOX00824|P036]]&nbsp;  
 
|-
 
|-
  
−
| C9H14N3O3 || 212 || 2 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00631|Zalcitabine]]&nbsp;  
+
| C9H14N3O3 || 212 || 2 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00631|Z001]]&nbsp;  
 
|-
 
|-
  
−
| C20H14NO4 || 332 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C20H14NO4 || 332 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C9H8N5O3 || 234 || 1 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;  
+
| C9H8N5O3 || 234 || 1 || [[MassBank:KOX00027|A037]]&nbsp;  
 
|-
 
|-
  
−
| C7H12N || 110 || 1 || [[MassBank:KOX00865|Scopolamine]]&nbsp;  
+
| C7H12N || 110 || 1 || [[MassBank:KOX00865|S040]]&nbsp;  
 
|-
 
|-
  
−
| C2H6N || 44 || 9 || [[MassBank:KOX00008|D-Ala]]&nbsp;[[MassBank:KOX00010|L-Ala]]&nbsp;[[MassBank:KOX00560|Sarcosine]]&nbsp;[[MassBank:KOX00584|Taurine]]&nbsp;[[MassBank:KOX00726|Ethanolamine]]&nbsp;[[MassBank:KOX00783|1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine]]&nbsp;[[MassBank:KOX00873|Trientine]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C2H6N || 44 || 9 || [[MassBank:KOX00008|A011]]&nbsp;[[MassBank:KOX00010|A015]]&nbsp;[[MassBank:KOX00560|S014]]&nbsp;[[MassBank:KOX00584|T004]]&nbsp;[[MassBank:KOX00726|E023]]&nbsp;[[MassBank:KOX00783|M034]]&nbsp;[[MassBank:KOX00873|T021]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C10H27N4 || 203 || 1 || [[MassBank:KOX00862|Spermine]]&nbsp;  
+
| C10H27N4 || 203 || 1 || [[MassBank:KOX00862|S011]]&nbsp;  
 
|-
 
|-
  
−
| C12H10N || 168 || 3 || [[MassBank:KOX00154|Carbazole]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C12H10N || 168 || 3 || [[MassBank:KOX00154|C040]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C20H23N2O2 || 323 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C20H23N2O2 || 323 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C29H34N2O2Cl || 442 || 1 || [[MassBank:KOX00772|Loperamide]]&nbsp;  
+
| C29H34N2O2Cl || 442 || 1 || [[MassBank:KOX00772|L047]]&nbsp;  
 
|-
 
|-
  
−
| C28H50NO9 || 544 || 1 || [[MassBank:KOX00820|Oleandomycin]]&nbsp;  
+
| C28H50NO9 || 544 || 1 || [[MassBank:KOX00820|O016]]&nbsp;  
 
|-
 
|-
  
−
| C11H15N2 || 175 || 2 || [[MassBank:KOX00738|Gramine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;  
+
| C11H15N2 || 175 || 2 || [[MassBank:KOX00738|G041]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;  
 
|-
 
|-
  
−
| C13H9N || 179 || 1 || [[MassBank:KOX00213|Diclofenac]]&nbsp;  
+
| C13H9N || 179 || 1 || [[MassBank:KOX00213|D128]]&nbsp;  
 
|-
 
|-
  
−
| C9H13N2O4 || 213 || 1 || [[MassBank:KOX00281|Glu-Glu]]&nbsp;  
+
| C9H13N2O4 || 213 || 1 || [[MassBank:KOX00281|G043]]&nbsp;  
 
|-
 
|-
  
−
| C11H20N3O || 210 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C11H20N3O || 210 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C7H8N5 || 162 || 1 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;  
+
| C7H8N5 || 162 || 1 || [[MassBank:KOX00027|A037]]&nbsp;  
 
|-
 
|-
  
−
| C10H8NO2 || 174 || 1 || [[MassBank:KOX00766|Kynurenine]]&nbsp;  
+
| C10H8NO2 || 174 || 1 || [[MassBank:KOX00766|K004]]&nbsp;  
 
|-
 
|-
  
−
| C17H22NO4 || 304 || 1 || [[MassBank:KOX00865|Scopolamine]]&nbsp;  
+
| C17H22NO4 || 304 || 1 || [[MassBank:KOX00865|S040]]&nbsp;  
 
|-
 
|-
  
−
| C15H13NO4I3 || 271 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C15H13NO4I3 || 271 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C12H13N2 || 185 || 1 || [[MassBank:KOX00694|Cyprodinil]]&nbsp;  
+
| C12H13N2 || 185 || 1 || [[MassBank:KOX00694|C172]]&nbsp;  
 
|-
 
|-
  
−
| C8H9O3 || 153 || 1 || [[MassBank:KOX00814|Noradrenaline]]&nbsp;  
+
| C8H9O3 || 153 || 1 || [[MassBank:KOX00814|N028]]&nbsp;  
 
|-
 
|-
  
−
| C2H5O3S || 109 || 1 || [[MassBank:KOX00584|Taurine]]&nbsp;  
+
| C2H5O3S || 109 || 1 || [[MassBank:KOX00584|T004]]&nbsp;  
 
|-
 
|-
  
−
| C6H9N2O2S || 173 || 1 || [[MassBank:KOX00863|Sulfanilamide]]&nbsp;  
+
| C6H9N2O2S || 173 || 1 || [[MassBank:KOX00863|S016]]&nbsp;  
 
|-
 
|-
  
−
| C6H10NOS || 144 || 2 || [[MassBank:KOX00606|Thiamine]]&nbsp;[[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;  
+
| C6H10NOS || 144 || 2 || [[MassBank:KOX00606|T056]]&nbsp;[[MassBank:KOX00775|M013]]&nbsp;  
 
|-
 
|-
  
−
| C8H12NO || 138 || 2 || [[MassBank:KOX00865|Scopolamine]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;  
+
| C8H12NO || 138 || 2 || [[MassBank:KOX00865|S040]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;  
 
|-
 
|-
  
−
| C2H5N || 43 || 1 || [[MassBank:KOX00884|Trimethylamine N-oxide]]&nbsp;  
+
| C2H5N || 43 || 1 || [[MassBank:KOX00884|T051]]&nbsp;  
 
|-
 
|-
  
−
| C4H7N2 || 83 || 20 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00215|Na,Na-Dimethylhistidine]]&nbsp;[[MassBank:KOX00229|Ectoine]]&nbsp;[[MassBank:KOX00306|TRH]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00761|b-Imidazolelactate]]&nbsp;[[MassBank:KOX00779|5-Methylcytosine]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00802|4-Methylpyrazole]]&nbsp;[[MassBank:KOX00843|Phosphocreatine]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C4H7N2 || 83 || 20 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00215|D131]]&nbsp;[[MassBank:KOX00229|E011]]&nbsp;[[MassBank:KOX00306|G117]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00761|I053]]&nbsp;[[MassBank:KOX00779|M029]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00802|M124]]&nbsp;[[MassBank:KOX00843|P084]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C9H11N2O || 163 || 1 || [[MassBank:KOX00858|Pentamidine]]&nbsp;  
+
| C9H11N2O || 163 || 1 || [[MassBank:KOX00858|P209]]&nbsp;  
 
|-
 
|-
  
−
| C12H14NO || 188 || 1 || [[MassBank:KOX00858|Pentamidine]]&nbsp;  
+
| C12H14NO || 188 || 1 || [[MassBank:KOX00858|P209]]&nbsp;  
 
|-
 
|-
  
−
| C7H13 || 97 || 1 || [[MassBank:KOX00682|Betonicine]]&nbsp;  
+
| C7H13 || 97 || 1 || [[MassBank:KOX00682|B090]]&nbsp;  
 
|-
 
|-
  
−
| C8H6F3 || 159 || 1 || [[MassBank:KOX00731|Fenfluramine]]&nbsp;  
+
| C8H6F3 || 159 || 1 || [[MassBank:KOX00731|F016]]&nbsp;  
 
|-
 
|-
  
−
| C12H17N2O || 205 || 1 || [[MassBank:KOX00858|Pentamidine]]&nbsp;  
+
| C12H17N2O || 205 || 1 || [[MassBank:KOX00858|P209]]&nbsp;  
 
|-
 
|-
  
−
| C19H19N2O2 || 307 || 1 || [[MassBank:KOX00858|Pentamidine]]&nbsp;  
+
| C19H19N2O2 || 307 || 1 || [[MassBank:KOX00858|P209]]&nbsp;  
 
|-
 
|-
  
−
| C19H25N4O2 || 341 || 1 || [[MassBank:KOX00858|Pentamidine]]&nbsp;  
+
| C19H25N4O2 || 341 || 1 || [[MassBank:KOX00858|P209]]&nbsp;  
 
|-
 
|-
  
−
| C6H6N5 || 148 || 4 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;[[MassBank:KOX00120|6-Benzylaminopurine]]&nbsp;[[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;  
+
| C6H6N5 || 148 || 4 || [[MassBank:KOX00027|A037]]&nbsp;[[MassBank:KOX00120|B015]]&nbsp;[[MassBank:KOX00245|F014]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;  
 
|-
 
|-
  
−
| C3H7O || 59 || 10 || [[MassBank:KOX00039|a-Aminoisobutyrate]]&nbsp;[[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00288|Glucosaminate]]&nbsp;[[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00665|2-Amino-2-methyl-1,3-propanediol]]&nbsp;[[MassBank:KOX00755|Isopropanolamine]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C3H7O || 59 || 10 || [[MassBank:KOX00039|A048]]&nbsp;[[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00288|G061]]&nbsp;[[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00665|A224]]&nbsp;[[MassBank:KOX00755|I011]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C6H9ClN7O || 230 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C6H9ClN7O || 230 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C8H14NO || 140 || 2 || [[MassBank:KOX00709|Desthiobiotin]]&nbsp;[[MassBank:KOX00887|Tropinone]]&nbsp;  
+
| C8H14NO || 140 || 2 || [[MassBank:KOX00709|D075]]&nbsp;[[MassBank:KOX00887|T061]]&nbsp;  
 
|-
 
|-
  
−
| C8H15 || 111 || 1 || [[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C8H15 || 111 || 1 || [[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C2H7NO3P || 124 || 1 || [[MassBank:KOX00075|2-Amino-3-phosphonopropionate]]&nbsp;  
+
| C2H7NO3P || 124 || 1 || [[MassBank:KOX00075|A131]]&nbsp;  
 
|-
 
|-
  
−
| C11H9N4 || 197 || 1 || [[MassBank:KOX00824|Phenazopyridine]]&nbsp;  
+
| C11H9N4 || 197 || 1 || [[MassBank:KOX00824|P036]]&nbsp;  
 
|-
 
|-
  
−
| C12H19Cl || 198 || 1 || [[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C12H19Cl || 198 || 1 || [[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C5H8N || 82 || 17 || [[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00518|Psychosine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00663|Ampicillin]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00776|1-Methyl-2-pyrrolidone]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00830|Pseudopelletierine]]&nbsp;[[MassBank:KOX00865|Scopolamine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;[[MassBank:KOX00887|Tropinone]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;  
+
| C5H8N || 82 || 17 || [[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00518|P067]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00663|A197]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00776|M024]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00830|P054]]&nbsp;[[MassBank:KOX00865|S040]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;[[MassBank:KOX00887|T061]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;  
 
|-
 
|-
  
−
| C11H9O || 157 || 1 || [[MassBank:KOX00856|Propranolol]]&nbsp;  
+
| C11H9O || 157 || 1 || [[MassBank:KOX00856|P192]]&nbsp;  
 
|-
 
|-
  
−
| C13H9 || 165 || 1 || [[MassBank:KOX00856|Propranolol]]&nbsp;  
+
| C13H9 || 165 || 1 || [[MassBank:KOX00856|P192]]&nbsp;  
 
|-
 
|-
  
−
| C7H14N3S || 172 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C7H14N3S || 172 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C14H23N2O5 || 299 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C14H23N2O5 || 299 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C9H9N2O2 || 177 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C9H9N2O2 || 177 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C11H11N4O2 || 231 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C11H11N4O2 || 231 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C12H15N4O2 || 247 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C12H15N4O2 || 247 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C15H10N5O2 || 292 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C15H10N5O2 || 292 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C19H20N5O3 || 366 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C19H20N5O3 || 366 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C6H5S || 109 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C6H5S || 109 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C14H12Cl2NO2 || 296 || 1 || [[MassBank:KOX00213|Diclofenac]]&nbsp;  
+
| C14H12Cl2NO2 || 296 || 1 || [[MassBank:KOX00213|D128]]&nbsp;  
 
|-
 
|-
  
−
| C5H9O2 || 101 || 8 || [[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00100|2-Amino-2-methylbutanoate]]&nbsp;[[MassBank:KOX00464|Norvaline]]&nbsp;[[MassBank:KOX00474|L-Ornithine]]&nbsp;[[MassBank:KOX00623|Val]]&nbsp;[[MassBank:KOX00646|Alliin]]&nbsp;[[MassBank:KOX00818|D-Ornithine]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C5H9O2 || 101 || 8 || [[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00100|A189]]&nbsp;[[MassBank:KOX00464|N009]]&nbsp;[[MassBank:KOX00474|O003]]&nbsp;[[MassBank:KOX00623|V001]]&nbsp;[[MassBank:KOX00646|A064]]&nbsp;[[MassBank:KOX00818|O005]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C9H12NO || 150 || 6 || [[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00526|Puromycin]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00815|Neostigmine]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;  
+
| C9H12NO || 150 || 6 || [[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00526|P075]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00815|N063]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;  
 
|-
 
|-
  
−
| C6H3ClN || 124 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C6H3ClN || 124 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C13H21N2O2 || 237 || 1 || [[MassBank:KOX00854|Procaine]]&nbsp;  
+
| C13H21N2O2 || 237 || 1 || [[MassBank:KOX00854|P190]]&nbsp;  
 
|-
 
|-
  
−
| C5H11N2O3S2 || 211 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C5H11N2O3S2 || 211 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C3H7N2 || 71 || 6 || [[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00639|3-Aminopropionitrile]]&nbsp;[[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;[[MassBank:KOX00754|Hexamethylene tetramine]]&nbsp;[[MassBank:KOX00781|Metformin]]&nbsp;[[MassBank:KOX00894|Velpar]]&nbsp;  
+
| C3H7N2 || 71 || 6 || [[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00639|A044]]&nbsp;[[MassBank:KOX00664|A203]]&nbsp;[[MassBank:KOX00754|H112]]&nbsp;[[MassBank:KOX00781|M032]]&nbsp;[[MassBank:KOX00894|V020]]&nbsp;  
 
|-
 
|-
  
−
| C6H13 || 85 || 1 || [[MassBank:KOX00908|Hexylamine]]&nbsp;  
+
| C6H13 || 85 || 1 || [[MassBank:KOX00908|H024]]&nbsp;  
 
|-
 
|-
  
−
| C13H10NO || 196 || 1 || [[MassBank:KOX00133|Bumetanide]]&nbsp;  
+
| C13H10NO || 196 || 1 || [[MassBank:KOX00133|B093]]&nbsp;  
 
|-
 
|-
  
−
| C8H10N3O4 || 212 || 1 || [[MassBank:KOX00853|Prowl (TM)]]&nbsp;  
+
| C8H10N3O4 || 212 || 1 || [[MassBank:KOX00853|P183]]&nbsp;  
 
|-
 
|-
  
−
| C15H16NO3 || 258 || 1 || [[MassBank:KOX00883|Tolmetin]]&nbsp;  
+
| C15H16NO3 || 258 || 1 || [[MassBank:KOX00883|T044]]&nbsp;  
 
|-
 
|-
  
−
| C9H16N3O || 182 || 1 || [[MassBank:KOX00852|Pirimicarb]]&nbsp;  
+
| C9H16N3O || 182 || 1 || [[MassBank:KOX00852|P177]]&nbsp;  
 
|-
 
|-
  
−
| C11H19N4O2 || 239 || 1 || [[MassBank:KOX00852|Pirimicarb]]&nbsp;  
+
| C11H19N4O2 || 239 || 1 || [[MassBank:KOX00852|P177]]&nbsp;  
 
|-
 
|-
  
−
| C12H14ClO2 || 225 || 1 || [[MassBank:KOX00616|Triadimefon]]&nbsp;  
+
| C12H14ClO2 || 225 || 1 || [[MassBank:KOX00616|T112]]&nbsp;  
 
|-
 
|-
  
−
| C5H6N5 || 136 || 8 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00027|Adenylosuccinate]]&nbsp;[[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;[[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;[[MassBank:KOX00708|2'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00711|5'-Deoxyadenosine]]&nbsp;  
+
| C5H6N5 || 136 || 8 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00027|A037]]&nbsp;[[MassBank:KOX00245|F014]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00636|A020]]&nbsp;[[MassBank:KOX00707|D067]]&nbsp;[[MassBank:KOX00708|D069]]&nbsp;[[MassBank:KOX00711|D082]]&nbsp;  
 
|-
 
|-
  
−
| C9H15N4O || 195 || 1 || [[MassBank:KOX00851|Penciclovir]]&nbsp;  
+
| C9H15N4O || 195 || 1 || [[MassBank:KOX00851|P157]]&nbsp;  
 
|-
 
|-
  
−
| C6H13F2N2O2 || 183 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C6H13F2N2O2 || 183 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C15H14NO || 224 || 1 || [[MassBank:KOX00449|Mefenamate]]&nbsp;  
+
| C15H14NO || 224 || 1 || [[MassBank:KOX00449|M089]]&nbsp;  
 
|-
 
|-
  
−
| C7H16NO3 || 162 || 2 || [[MassBank:KOX00659|O-Acetylcarnitine]]&nbsp;[[MassBank:KOX00686|Carnitine]]&nbsp;  
+
| C7H16NO3 || 162 || 2 || [[MassBank:KOX00659|A143]]&nbsp;[[MassBank:KOX00686|C041]]&nbsp;  
 
|-
 
|-
  
−
| CH7N3O3P || 140 || 1 || [[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| CH7N3O3P || 140 || 1 || [[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C6H11N3O4P || 220 || 1 || [[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| C6H11N3O4P || 220 || 1 || [[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C5H7O || 83 || 3 || [[MassBank:KOX00079|5-Aminopentanoate]]&nbsp;[[MassBank:KOX00100|2-Amino-2-methylbutanoate]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;  
+
| C5H7O || 83 || 3 || [[MassBank:KOX00079|A135]]&nbsp;[[MassBank:KOX00100|A189]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;  
 
|-
 
|-
  
−
| C6H11N2O4S || 207 || 1 || [[MassBank:KOX00689|Cystathionine]]&nbsp;  
+
| C6H11N2O4S || 207 || 1 || [[MassBank:KOX00689|C047]]&nbsp;  
 
|-
 
|-
  
−
| C14H14FN2O || 245 || 1 || [[MassBank:KOX00692|Ciprofloxacin]]&nbsp;  
+
| C14H14FN2O || 245 || 1 || [[MassBank:KOX00692|C133]]&nbsp;  
 
|-
 
|-
  
−
| C9H8NO || 146 || 5 || [[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;  
+
| C9H8NO || 146 || 5 || [[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;  
 
|-
 
|-
  
−
| C6H13N3O5P || 238 || 1 || [[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| C6H13N3O5P || 238 || 1 || [[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| CH7NO3P || 112 || 1 || [[MassBank:KOX00109|(Aminomethyl)phosphonate]]&nbsp;  
+
| CH7NO3P || 112 || 1 || [[MassBank:KOX00109|A235]]&nbsp;  
 
|-
 
|-
  
−
| C11H11N2O || 187 || 3 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;  
+
| C11H11N2O || 187 || 3 || [[MassBank:KOX00539|P122]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;  
 
|-
 
|-
  
−
| C5H8N5 || 138 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| C5H8N5 || 138 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C3H4N3 || 82 || 7 || [[MassBank:KOX00081|5-Amino-4-imidazolecarboxamide]]&nbsp;[[MassBank:KOX00181|Cimetidine]]&nbsp;[[MassBank:KOX00266|Guanosine]]&nbsp;[[MassBank:KOX00315|Hypoxanthine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00787|1-Methyladenosine]]&nbsp;  
+
| C3H4N3 || 82 || 7 || [[MassBank:KOX00081|A136]]&nbsp;[[MassBank:KOX00181|C208]]&nbsp;[[MassBank:KOX00266|G015]]&nbsp;[[MassBank:KOX00315|H014]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00787|M051]]&nbsp;  
 
|-
 
|-
  
−
| C8H12NOS || 170 || 1 || [[MassBank:KOX00552|Ranitidine]]&nbsp;  
+
| C8H12NOS || 170 || 1 || [[MassBank:KOX00552|R041]]&nbsp;  
 
|-
 
|-
  
−
| C4H11N2 || 87 || 4 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00679|Bis(3-aminopropyl)amine]]&nbsp;[[MassBank:KOX00827|Piperazine]]&nbsp;[[MassBank:KOX00873|Trientine]]&nbsp;  
+
| C4H11N2 || 87 || 4 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00679|B040]]&nbsp;[[MassBank:KOX00827|P046]]&nbsp;[[MassBank:KOX00873|T021]]&nbsp;  
 
|-
 
|-
  
−
| CH4N2O3P || 123 || 2 || [[MassBank:KOX00843|Phosphocreatine]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| CH4N2O3P || 123 || 2 || [[MassBank:KOX00843|P084]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C7H4NS2 || 166 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C7H4NS2 || 166 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C6H9O3 || 129 || 5 || [[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00646|Alliin]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C6H9O3 || 129 || 5 || [[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00646|A064]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C4H10NS || 104 || 3 || [[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;  
+
| C4H10NS || 104 || 3 || [[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;  
 
|-
 
|-
  
−
| C4H10NOS || 120 || 1 || [[MassBank:KOX00254|N-Formylmethionine]]&nbsp;  
+
| C4H10NOS || 120 || 1 || [[MassBank:KOX00254|F034]]&nbsp;  
 
|-
 
|-
  
−
| C2H4N2 || 56 || 2 || [[MassBank:KOX00781|Metformin]]&nbsp;[[MassBank:KOX00782|Metronidazole]]&nbsp;  
+
| C2H4N2 || 56 || 2 || [[MassBank:KOX00781|M032]]&nbsp;[[MassBank:KOX00782|M033]]&nbsp;  
 
|-
 
|-
  
−
| C5H12N3O2 || 146 || 1 || [[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;  
+
| C5H12N3O2 || 146 || 1 || [[MassBank:KOX00276|G032]]&nbsp;  
 
|-
 
|-
  
−
| C9H7N2O || 159 || 1 || [[MassBank:KOX00817|Nalidixate]]&nbsp;  
+
| C9H7N2O || 159 || 1 || [[MassBank:KOX00817|N067]]&nbsp;  
 
|-
 
|-
  
−
| C5H11N2O2S || 163 || 1 || [[MassBank:KOX00454|Methionine sulfoximine]]&nbsp;  
+
| C5H11N2O2S || 163 || 1 || [[MassBank:KOX00454|M114]]&nbsp;  
 
|-
 
|-
  
−
| CH2O2P || 77 || 1 || [[MassBank:KOX00842|Phosphonoacetate]]&nbsp;  
+
| CH2O2P || 77 || 1 || [[MassBank:KOX00842|P082]]&nbsp;  
 
|-
 
|-
  
−
| C15H10NO || 220 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C15H10NO || 220 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C16H11NO || 233 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C16H11NO || 233 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C16H12NO || 234 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C16H12NO || 234 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C16H12NO2 || 250 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C16H12NO2 || 250 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C17H14NO2 || 264 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C17H14NO2 || 264 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C18H16NO3 || 294 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C18H16NO3 || 294 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C19H18NO3 || 308 || 2 || [[MassBank:KOX00837|Palmatine]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;  
+
| C19H18NO3 || 308 || 2 || [[MassBank:KOX00837|P071]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;  
 
|-
 
|-
  
−
| CH2S || 46 || 1 || [[MassBank:KOX00885|Trimethylsulfonium]]&nbsp;  
+
| CH2S || 46 || 1 || [[MassBank:KOX00885|T058]]&nbsp;  
 
|-
 
|-
  
−
| C20H19NO4 || 337 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C20H19NO4 || 337 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C5H6NS || 112 || 1 || [[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;  
+
| C5H6NS || 112 || 1 || [[MassBank:KOX00775|M013]]&nbsp;  
 
|-
 
|-
  
−
| C9H12NS || 166 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C9H12NS || 166 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C9H10N5O4 || 252 || 1 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;  
+
| C9H10N5O4 || 252 || 1 || [[MassBank:KOX00027|A037]]&nbsp;  
 
|-
 
|-
  
−
| CH3N2 || 43 || 1 || [[MassBank:KOX00829|Purine]]&nbsp;  
+
| CH3N2 || 43 || 1 || [[MassBank:KOX00829|P049]]&nbsp;  
 
|-
 
|-
  
−
| C7H12N3 || 138 || 1 || [[MassBank:KOX00215|Na,Na-Dimethylhistidine]]&nbsp;  
+
| C7H12N3 || 138 || 1 || [[MassBank:KOX00215|D131]]&nbsp;  
 
|-
 
|-
  
−
| C11H11Cl2N2O4 || 305 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C11H11Cl2N2O4 || 305 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C7H15N2O || 143 || 3 || [[MassBank:KOX00095|Ne-Acetyllysine]]&nbsp;[[MassBank:KOX00295|Gly-Leu]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;  
+
| C7H15N2O || 143 || 3 || [[MassBank:KOX00095|A174]]&nbsp;[[MassBank:KOX00295|G071]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;  
 
|-
 
|-
  
−
| C19H14NO3 || 304 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C19H14NO3 || 304 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C6H8N5 || 150 || 5 || [[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00787|1-Methyladenosine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C6H8N5 || 150 || 5 || [[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00787|M051]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C11H16Cl || 183 || 1 || [[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C11H16Cl || 183 || 1 || [[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C8H9 || 105 || 12 || [[MassBank:KOX00558|Suberate]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00731|Fenfluramine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00828|Phenylethylamine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C8H9 || 105 || 12 || [[MassBank:KOX00558|S013]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00731|F016]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00828|P047]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C11H22N || 168 || 1 || [[MassBank:KOX00784|Mecamylamine]]&nbsp;  
+
| C11H22N || 168 || 1 || [[MassBank:KOX00784|M039]]&nbsp;  
 
|-
 
|-
  
−
| C8H16NO2 || 158 || 1 || [[MassBank:KOX00820|Oleandomycin]]&nbsp;  
+
| C8H16NO2 || 158 || 1 || [[MassBank:KOX00820|O016]]&nbsp;  
 
|-
 
|-
  
−
| C2H4N3 || 70 || 1 || [[MassBank:KOX00672|Buformin]]&nbsp;  
+
| C2H4N3 || 70 || 1 || [[MassBank:KOX00672|B010]]&nbsp;  
 
|-
 
|-
  
−
| C21H23FN3S || 368 || 1 || [[MassBank:KOX00890|Trifluoperazine]]&nbsp;  
+
| C21H23FN3S || 368 || 1 || [[MassBank:KOX00890|T122]]&nbsp;  
 
|-
 
|-
  
−
| C3H4N5 || 110 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| C3H4N5 || 110 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C6H4NO2 || 122 || 3 || [[MassBank:KOX00317|6-Hydroxynicotinate]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;  
+
| C6H4NO2 || 122 || 3 || [[MassBank:KOX00317|H015]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;  
 
|-
 
|-
  
−
| C7H12NO || 126 || 1 || [[MassBank:KOX00095|Ne-Acetyllysine]]&nbsp;  
+
| C7H12NO || 126 || 1 || [[MassBank:KOX00095|A174]]&nbsp;  
 
|-
 
|-
  
−
| C8H13 || 109 || 2 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;  
+
| C8H13 || 109 || 2 || [[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00710|D078]]&nbsp;  
 
|-
 
|-
  
−
| C6H7N2O || 123 || 3 || [[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;[[MassBank:KOX00847|Picolinamide]]&nbsp;  
+
| C6H7N2O || 123 || 3 || [[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;[[MassBank:KOX00847|P099]]&nbsp;  
 
|-
 
|-
  
−
| C19H14NO4 || 320 || 1 || [[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C19H14NO4 || 320 || 1 || [[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C3H8NO3 || 106 || 1 || [[MassBank:KOX00554|Ser]]&nbsp;  
+
| C3H8NO3 || 106 || 1 || [[MassBank:KOX00554|S002]]&nbsp;  
 
|-
 
|-
  
−
| C4H4N2 || 80 || 1 || [[MassBank:KOX00824|Phenazopyridine]]&nbsp;  
+
| C4H4N2 || 80 || 1 || [[MassBank:KOX00824|P036]]&nbsp;  
 
|-
 
|-
  
−
| C14H8 || 176 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C14H8 || 176 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C9H11O2 || 151 || 2 || [[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C9H11O2 || 151 || 2 || [[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C14H9NO || 207 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C14H9NO || 207 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C8H8INO || 261 || 1 || [[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;  
+
| C8H8INO || 261 || 1 || [[MassBank:KOX00199|D056]]&nbsp;  
 
|-
 
|-
  
−
| C14H15N2 || 211 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C14H15N2 || 211 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C15H13N2 || 221 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C15H13N2 || 221 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C24H35 || 323 || 1 || [[MassBank:KOX00613|Taurolithocholate]]&nbsp;  
+
| C24H35 || 323 || 1 || [[MassBank:KOX00613|T072]]&nbsp;  
 
|-
 
|-
  
−
| C13H19 || 175 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C13H19 || 175 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C10H8N3S || 202 || 1 || [[MassBank:KOX00877|Thiabendazole]]&nbsp;  
+
| C10H8N3S || 202 || 1 || [[MassBank:KOX00877|T028]]&nbsp;  
 
|-
 
|-
  
−
| C16H17N2 || 237 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C16H17N2 || 237 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C4H9N2O3 || 133 || 2 || [[MassBank:KOX00012|Asn]]&nbsp;[[MassBank:KOX00279|Gly-Gly]]&nbsp;  
+
| C4H9N2O3 || 133 || 2 || [[MassBank:KOX00012|A016]]&nbsp;[[MassBank:KOX00279|G037]]&nbsp;  
 
|-
 
|-
  
−
| C6H12NOS || 146 || 1 || [[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;  
+
| C6H12NOS || 146 || 1 || [[MassBank:KOX00051|A065]]&nbsp;  
 
|-
 
|-
  
−
| C19H23N2O2 || 311 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C19H23N2O2 || 311 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C21H28N3O2 || 354 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C21H28N3O2 || 354 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C7H11N2O2 || 155 || 1 || [[MassBank:KOX00347|Homoarginine]]&nbsp;  
+
| C7H11N2O2 || 155 || 1 || [[MassBank:KOX00347|H073]]&nbsp;  
 
|-
 
|-
  
−
| C7H8NO || 122 || 5 || [[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00671|Benzamide]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C7H8NO || 122 || 5 || [[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00671|B009]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C5H4N3 || 106 || 2 || [[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;  
+
| C5H4N3 || 106 || 2 || [[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;  
 
|-
 
|-
  
−
| C6H5N || 91 || 2 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;[[MassBank:KOX00853|Prowl (TM)]]&nbsp;  
+
| C6H5N || 91 || 2 || [[MassBank:KOX00805|M150]]&nbsp;[[MassBank:KOX00853|P183]]&nbsp;  
 
|-
 
|-
  
−
| C21H19O9 || 415 || 1 || [[MassBank:KOX00205|Doxorubicin]]&nbsp;  
+
| C21H19O9 || 415 || 1 || [[MassBank:KOX00205|D064]]&nbsp;  
 
|-
 
|-
  
−
| C7H10NO2 || 140 || 2 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C7H10NO2 || 140 || 2 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C9H9 || 117 || 1 || [[MassBank:KOX00238|Etodolac]]&nbsp;  
+
| C9H9 || 117 || 1 || [[MassBank:KOX00238|E034]]&nbsp;  
 
|-
 
|-
  
−
| C5H4S || 96 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C5H4S || 96 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C6H4S || 108 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C6H4S || 108 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C10H10N || 144 || 9 || [[MassBank:KOX00238|Etodolac]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;  
+
| C10H10N || 144 || 9 || [[MassBank:KOX00238|E034]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;  
 
|-
 
|-
  
−
| C6H14N || 100 || 4 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;[[MassBank:KOX00691|Cyclohexylamine]]&nbsp;[[MassBank:KOX00796|Methotrimeprazine]]&nbsp;[[MassBank:KOX00854|Procaine]]&nbsp;  
+
| C6H14N || 100 || 4 || [[MassBank:KOX00104|A196]]&nbsp;[[MassBank:KOX00691|C114]]&nbsp;[[MassBank:KOX00796|M099]]&nbsp;[[MassBank:KOX00854|P190]]&nbsp;  
 
|-
 
|-
  
−
| C18H18N5O4 || 368 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C18H18N5O4 || 368 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C27H30NO11 || 544 || 1 || [[MassBank:KOX00205|Doxorubicin]]&nbsp;  
+
| C27H30NO11 || 544 || 1 || [[MassBank:KOX00205|D064]]&nbsp;  
 
|-
 
|-
  
−
| C7H5NS || 135 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C7H5NS || 135 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C6H4S2 || 140 || 1 || [[MassBank:KOX00805|2-Methylmercaptobenzothiazole]]&nbsp;  
+
| C6H4S2 || 140 || 1 || [[MassBank:KOX00805|M150]]&nbsp;  
 
|-
 
|-
  
−
| C7H7ClN || 140 || 1 || [[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C7H7ClN || 140 || 1 || [[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C4H6FO2 || 105 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C4H6FO2 || 105 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C13H11N2 || 195 || 1 || [[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C13H11N2 || 195 || 1 || [[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C13H12ClN2 || 231 || 1 || [[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C13H12ClN2 || 231 || 1 || [[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C16H31N4O8 || 407 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C16H31N4O8 || 407 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C4H3O || 67 || 1 || [[MassBank:KOX00801|Muscimol]]&nbsp;  
+
| C4H3O || 67 || 1 || [[MassBank:KOX00801|M115]]&nbsp;  
 
|-
 
|-
  
−
| C3H4NO2 || 86 || 1 || [[MassBank:KOX00801|Muscimol]]&nbsp;  
+
| C3H4NO2 || 86 || 1 || [[MassBank:KOX00801|M115]]&nbsp;  
 
|-
 
|-
  
−
| C7H6N2 || 118 || 2 || [[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00877|Thiabendazole]]&nbsp;  
+
| C7H6N2 || 118 || 2 || [[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00877|T028]]&nbsp;  
 
|-
 
|-
  
−
| C21H15O7 || 379 || 1 || [[MassBank:KOX00205|Doxorubicin]]&nbsp;  
+
| C21H15O7 || 379 || 1 || [[MassBank:KOX00205|D064]]&nbsp;  
 
|-
 
|-
  
−
| C23H28N5O7S || 518 || 1 || [[MassBank:KOX00504|Piperacillin]]&nbsp;  
+
| C23H28N5O7S || 518 || 1 || [[MassBank:KOX00504|P039]]&nbsp;  
 
|-
 
|-
  
−
| C4H4ClN4 || 143 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C4H4ClN4 || 143 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C8H11N || 121 || 2 || [[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C8H11N || 121 || 2 || [[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C14H15N2O || 227 || 1 || [[MassBank:KOX00800|Metyrapone]]&nbsp;  
+
| C14H15N2O || 227 || 1 || [[MassBank:KOX00800|M111]]&nbsp;  
 
|-
 
|-
  
−
| C11H16N5O3 || 266 || 1 || [[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C11H16N5O3 || 266 || 1 || [[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C17H18NOS || 284 || 1 || [[MassBank:KOX00796|Methotrimeprazine]]&nbsp;  
+
| C17H18NOS || 284 || 1 || [[MassBank:KOX00796|M099]]&nbsp;  
 
|-
 
|-
  
−
| C10H10NO4 || 208 || 1 || [[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;  
+
| C10H10NO4 || 208 || 1 || [[MassBank:KOX00748|H050]]&nbsp;  
 
|-
 
|-
  
−
| C5H12N3O || 130 || 1 || [[MassBank:KOX00478|Octopine]]&nbsp;  
+
| C5H12N3O || 130 || 1 || [[MassBank:KOX00478|O009]]&nbsp;  
 
|-
 
|-
  
−
| C18H18NOS || 296 || 1 || [[MassBank:KOX00796|Methotrimeprazine]]&nbsp;  
+
| C18H18NOS || 296 || 1 || [[MassBank:KOX00796|M099]]&nbsp;  
 
|-
 
|-
  
−
| C5H6N5O || 152 || 6 || [[MassBank:KOX00054|Acyclovir]]&nbsp;[[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;[[MassBank:KOX00266|Guanosine]]&nbsp;[[MassBank:KOX00300|Ganciclovir]]&nbsp;[[MassBank:KOX00851|Penciclovir]]&nbsp;[[MassBank:KOX00897|Xanthopterin]]&nbsp;  
+
| C5H6N5O || 152 || 6 || [[MassBank:KOX00054|A071]]&nbsp;[[MassBank:KOX00201|D057]]&nbsp;[[MassBank:KOX00266|G015]]&nbsp;[[MassBank:KOX00300|G088]]&nbsp;[[MassBank:KOX00851|P157]]&nbsp;[[MassBank:KOX00897|X012]]&nbsp;  
 
|-
 
|-
  
−
| C8H8NO || 134 || 9 || [[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;[[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;[[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;  
+
| C8H8NO || 134 || 9 || [[MassBank:KOX00199|D056]]&nbsp;[[MassBank:KOX00385|I050]]&nbsp;[[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00536|P113]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;  
 
|-
 
|-
  
−
| C12H15N4O3 || 263 || 1 || [[MassBank:KOX00306|TRH]]&nbsp;  
+
| C12H15N4O3 || 263 || 1 || [[MassBank:KOX00306|G117]]&nbsp;  
 
|-
 
|-
  
−
| C4H2N3 || 92 || 8 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00315|Hypoxanthine]]&nbsp;[[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;  
+
| C4H2N3 || 92 || 8 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00315|H014]]&nbsp;[[MassBank:KOX00435|M054]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;  
 
|-
 
|-
  
−
| C4H3N3O || 109 || 2 || [[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;  
+
| C4H3N3O || 109 || 2 || [[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;  
 
|-
 
|-
  
−
| C6H10NO2 || 128 || 5 || [[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00368|Isoguvacine]]&nbsp;[[MassBank:KOX00663|Ampicillin]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;  
+
| C6H10NO2 || 128 || 5 || [[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00368|I015]]&nbsp;[[MassBank:KOX00663|A197]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;  
 
|-
 
|-
  
−
| C6H9 || 81 || 6 || [[MassBank:KOX00154|Carbazole]]&nbsp;[[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00784|Mecamylamine]]&nbsp;  
+
| C6H9 || 81 || 6 || [[MassBank:KOX00154|C040]]&nbsp;[[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00710|D078]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00784|M039]]&nbsp;  
 
|-
 
|-
  
−
| C5H11N4O2 || 159 || 1 || [[MassBank:KOX00167|Canavanine]]&nbsp;  
+
| C5H11N4O2 || 159 || 1 || [[MassBank:KOX00167|C094]]&nbsp;  
 
|-
 
|-
  
−
| C9H14NO5 || 216 || 1 || [[MassBank:KOX00795|Muramate]]&nbsp;  
+
| C9H14NO5 || 216 || 1 || [[MassBank:KOX00795|M082]]&nbsp;  
 
|-
 
|-
  
−
| C8H12N || 122 || 7 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00828|Phenylethylamine]]&nbsp;  
+
| C8H12N || 122 || 7 || [[MassBank:KOX00104|A196]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00828|P047]]&nbsp;  
 
|-
 
|-
  
−
| C9H16NO6 || 234 || 1 || [[MassBank:KOX00795|Muramate]]&nbsp;  
+
| C9H16NO6 || 234 || 1 || [[MassBank:KOX00795|M082]]&nbsp;  
 
|-
 
|-
  
−
| C9H18NO7 || 252 || 1 || [[MassBank:KOX00795|Muramate]]&nbsp;  
+
| C9H18NO7 || 252 || 1 || [[MassBank:KOX00795|M082]]&nbsp;  
 
|-
 
|-
  
−
| C9H13N2O || 165 || 1 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;  
+
| C9H13N2O || 165 || 1 || [[MassBank:KOX00069|A127]]&nbsp;  
 
|-
 
|-
  
−
| C11H13N4O4 || 265 || 1 || [[MassBank:KOX00787|1-Methyladenosine]]&nbsp;  
+
| C11H13N4O4 || 265 || 1 || [[MassBank:KOX00787|M051]]&nbsp;  
 
|-
 
|-
  
−
| C16H20N3O4S || 350 || 1 || [[MassBank:KOX00663|Ampicillin]]&nbsp;  
+
| C16H20N3O4S || 350 || 1 || [[MassBank:KOX00663|A197]]&nbsp;  
 
|-
 
|-
  
−
| C13H9N2S || 225 || 1 || [[MassBank:KOX00785|Methylene blue]]&nbsp;  
+
| C13H9N2S || 225 || 1 || [[MassBank:KOX00785|M047]]&nbsp;  
 
|-
 
|-
  
−
| C6H9N2O3 || 157 || 1 || [[MassBank:KOX00761|b-Imidazolelactate]]&nbsp;  
+
| C6H9N2O3 || 157 || 1 || [[MassBank:KOX00761|I053]]&nbsp;  
 
|-
 
|-
  
−
| H4O3PS || 115 || 1 || [[MassBank:KOX00211|O, O-Diethyl thiophosphate]]&nbsp;  
+
| H4O3PS || 115 || 1 || [[MassBank:KOX00211|D113]]&nbsp;  
 
|-
 
|-
  
−
| C14H12N2S || 240 || 1 || [[MassBank:KOX00785|Methylene blue]]&nbsp;  
+
| C14H12N2S || 240 || 1 || [[MassBank:KOX00785|M047]]&nbsp;  
 
|-
 
|-
  
−
| C14H10N3S || 252 || 1 || [[MassBank:KOX00785|Methylene blue]]&nbsp;  
+
| C14H10N3S || 252 || 1 || [[MassBank:KOX00785|M047]]&nbsp;  
 
|-
 
|-
  
−
| C15H14N3S || 268 || 1 || [[MassBank:KOX00785|Methylene blue]]&nbsp;  
+
| C15H14N3S || 268 || 1 || [[MassBank:KOX00785|M047]]&nbsp;  
 
|-
 
|-
  
−
| C16H18N3S || 284 || 1 || [[MassBank:KOX00785|Methylene blue]]&nbsp;  
+
| C16H18N3S || 284 || 1 || [[MassBank:KOX00785|M047]]&nbsp;  
 
|-
 
|-
  
−
| C6H14N3O3 || 176 || 1 || [[MassBank:KOX00138|Citrulline]]&nbsp;  
+
| C6H14N3O3 || 176 || 1 || [[MassBank:KOX00138|C013]]&nbsp;  
 
|-
 
|-
  
−
| C11H12N5 || 214 || 1 || [[MassBank:KOX00824|Phenazopyridine]]&nbsp;  
+
| C11H12N5 || 214 || 1 || [[MassBank:KOX00824|P036]]&nbsp;  
 
|-
 
|-
  
−
| C12H16N || 174 || 1 || [[MassBank:KOX00783|1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine]]&nbsp;  
+
| C12H16N || 174 || 1 || [[MassBank:KOX00783|M034]]&nbsp;  
 
|-
 
|-
  
−
| C16H19O9 || 355 || 1 || [[MassBank:KOX00160|Chlorogenate]]&nbsp;  
+
| C16H19O9 || 355 || 1 || [[MassBank:KOX00160|C063]]&nbsp;  
 
|-
 
|-
  
−
| C4H5N3O || 111 || 1 || [[MassBank:KOX00782|Metronidazole]]&nbsp;  
+
| C4H5N3O || 111 || 1 || [[MassBank:KOX00782|M033]]&nbsp;  
 
|-
 
|-
  
−
| C10H19N4O6S2 || 355 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C10H19N4O6S2 || 355 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N3O2 || 128 || 1 || [[MassBank:KOX00782|Metronidazole]]&nbsp;  
+
| C4H6N3O2 || 128 || 1 || [[MassBank:KOX00782|M033]]&nbsp;  
 
|-
 
|-
  
−
| C5H10NO2 || 116 || 12 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00064|a-Aminoadipate]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00440|N-Methylglutamate]]&nbsp;[[MassBank:KOX00474|L-Ornithine]]&nbsp;[[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00487|Pro]]&nbsp;[[MassBank:KOX00635|Z-Gly-Pro]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00818|D-Ornithine]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| C5H10NO2 || 116 || 12 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00064|A110]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00440|M067]]&nbsp;[[MassBank:KOX00474|O003]]&nbsp;[[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00487|P003]]&nbsp;[[MassBank:KOX00635|Z003]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00818|O005]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C15H23N6O5S || 399 || 1 || [[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;  
+
| C15H23N6O5S || 399 || 1 || [[MassBank:KOX00636|A020]]&nbsp;  
 
|-
 
|-
  
−
| C11H13 || 145 || 2 || [[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;[[MassBank:KOX00663|Ampicillin]]&nbsp;  
+
| C11H13 || 145 || 2 || [[MassBank:KOX00611|T065]]&nbsp;[[MassBank:KOX00663|A197]]&nbsp;  
 
|-
 
|-
  
−
| C4H11N3O5P || 212 || 1 || [[MassBank:KOX00843|Phosphocreatine]]&nbsp;  
+
| C4H11N3O5P || 212 || 1 || [[MassBank:KOX00843|P084]]&nbsp;  
 
|-
 
|-
  
−
| C6H9O || 97 || 3 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00391|Leu]]&nbsp;[[MassBank:KOX00773|b-Leucine]]&nbsp;  
+
| C6H9O || 97 || 3 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00391|L003]]&nbsp;[[MassBank:KOX00773|L057]]&nbsp;  
 
|-
 
|-
  
−
| C5H8NO || 98 || 17 || [[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00064|a-Aminoadipate]]&nbsp;[[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00440|N-Methylglutamate]]&nbsp;[[MassBank:KOX00459|Minocycline]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C5H8NO || 98 || 17 || [[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00064|A110]]&nbsp;[[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00440|M067]]&nbsp;[[MassBank:KOX00459|M159]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C4H9N4 || 113 || 1 || [[MassBank:KOX00781|Metformin]]&nbsp;  
+
| C4H9N4 || 113 || 1 || [[MassBank:KOX00781|M032]]&nbsp;  
 
|-
 
|-
  
−
| C10H17N2O7 || 277 || 1 || [[MassBank:KOX00281|Glu-Glu]]&nbsp;  
+
| C10H17N2O7 || 277 || 1 || [[MassBank:KOX00281|G043]]&nbsp;  
 
|-
 
|-
  
−
| C5H7N4 || 123 || 3 || [[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C5H7N4 || 123 || 3 || [[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C8H6N5O || 188 || 1 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;  
+
| C8H6N5O || 188 || 1 || [[MassBank:KOX00027|A037]]&nbsp;  
 
|-
 
|-
  
−
| C7H9 || 93 || 10 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00770|a-Lipoamide]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;  
+
| C7H9 || 93 || 10 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00770|L031]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;  
 
|-
 
|-
  
−
| C2H2O3P || 105 || 2 || [[MassBank:KOX00489|Phosphoenolpyruvate]]&nbsp;[[MassBank:KOX00842|Phosphonoacetate]]&nbsp;  
+
| C2H2O3P || 105 || 2 || [[MassBank:KOX00489|P007]]&nbsp;[[MassBank:KOX00842|P082]]&nbsp;  
 
|-
 
|-
  
−
| C4H5N || 67 || 7 || [[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00752|Eflornithine]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;  
+
| C4H5N || 67 || 7 || [[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00752|H097]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;  
 
|-
 
|-
  
−
| C5H6N3 || 108 || 3 || [[MassBank:KOX00779|5-Methylcytosine]]&nbsp;[[MassBank:KOX00824|Phenazopyridine]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C5H6N3 || 108 || 3 || [[MassBank:KOX00779|M029]]&nbsp;[[MassBank:KOX00824|P036]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C3H5ClN5 || 146 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| C3H5ClN5 || 146 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C7H4Cl2N || 172 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C7H4Cl2N || 172 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C17H21N2O5S || 365 || 1 || [[MassBank:KOX00133|Bumetanide]]&nbsp;  
+
| C17H21N2O5S || 365 || 1 || [[MassBank:KOX00133|B093]]&nbsp;  
 
|-
 
|-
  
−
| C6H7N2 || 107 || 7 || [[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00131|Bentazon]]&nbsp;[[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;  
+
| C6H7N2 || 107 || 7 || [[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00131|B072]]&nbsp;[[MassBank:KOX00221|D166]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;  
 
|-
 
|-
  
−
| C10H17 || 137 || 1 || [[MassBank:KOX00784|Mecamylamine]]&nbsp;  
+
| C10H17 || 137 || 1 || [[MassBank:KOX00784|M039]]&nbsp;  
 
|-
 
|-
  
−
| C9H14N5O4 || 256 || 1 || [[MassBank:KOX00300|Ganciclovir]]&nbsp;  
+
| C9H14N5O4 || 256 || 1 || [[MassBank:KOX00300|G088]]&nbsp;  
 
|-
 
|-
  
−
| C20H20NO5 || 354 || 1 || [[MassBank:KOX00836|Protopine]]&nbsp;  
+
| C20H20NO5 || 354 || 1 || [[MassBank:KOX00836|P070]]&nbsp;  
 
|-
 
|-
  
−
| C11H15N2O || 191 || 3 || [[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C11H15N2O || 191 || 3 || [[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C4H12O7P || 203 || 1 || [[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;  
+
| C4H12O7P || 203 || 1 || [[MassBank:KOX00774|M011]]&nbsp;  
 
|-
 
|-
  
−
| C6H14O8P || 245 || 1 || [[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;  
+
| C6H14O8P || 245 || 1 || [[MassBank:KOX00774|M011]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N4O2 || 221 || 1 || [[MassBank:KOX00306|TRH]]&nbsp;  
+
| C10H13N4O2 || 221 || 1 || [[MassBank:KOX00306|G117]]&nbsp;  
 
|-
 
|-
  
−
| C6H9O3S || 161 || 1 || [[MassBank:KOX00646|Alliin]]&nbsp;  
+
| C6H9O3S || 161 || 1 || [[MassBank:KOX00646|A064]]&nbsp;  
 
|-
 
|-
  
−
| C6H16N || 102 || 1 || [[MassBank:KOX00908|Hexylamine]]&nbsp;  
+
| C6H16N || 102 || 1 || [[MassBank:KOX00908|H024]]&nbsp;  
 
|-
 
|-
  
−
| C8H16NOS2 || 206 || 1 || [[MassBank:KOX00770|a-Lipoamide]]&nbsp;  
+
| C8H16NOS2 || 206 || 1 || [[MassBank:KOX00770|L031]]&nbsp;  
 
|-
 
|-
  
−
| C10H8Cl || 163 || 1 || [[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C10H8Cl || 163 || 1 || [[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C11H12Cl || 179 || 1 || [[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C11H12Cl || 179 || 1 || [[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C16H20N5O4 || 346 || 1 || [[MassBank:KOX00306|TRH]]&nbsp;  
+
| C16H20N5O4 || 346 || 1 || [[MassBank:KOX00306|G117]]&nbsp;  
 
|-
 
|-
  
−
| C4H10NO2 || 104 || 7 || [[MassBank:KOX00002|GABA]]&nbsp;[[MassBank:KOX00039|a-Aminoisobutyrate]]&nbsp;[[MassBank:KOX00059|D-2-Aminobutyrate]]&nbsp;[[MassBank:KOX00113|(S)-2-Aminobutyrate]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00700|N,N-Dimethylglycine]]&nbsp;  
+
| C4H10NO2 || 104 || 7 || [[MassBank:KOX00002|A002]]&nbsp;[[MassBank:KOX00039|A048]]&nbsp;[[MassBank:KOX00059|A087]]&nbsp;[[MassBank:KOX00113|A240]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00700|D036]]&nbsp;  
 
|-
 
|-
  
−
| C16H22NO2 || 260 || 4 || [[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C16H22NO2 || 260 || 4 || [[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C12H12ClO || 207 || 1 || [[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C12H12ClO || 207 || 1 || [[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C15H19N2O5 || 307 || 1 || [[MassBank:KOX00635|Z-Gly-Pro]]&nbsp;  
+
| C15H19N2O5 || 307 || 1 || [[MassBank:KOX00635|Z003]]&nbsp;  
 
|-
 
|-
  
−
| C7H9O || 109 || 4 || [[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;  
+
| C7H9O || 109 || 4 || [[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;  
 
|-
 
|-
  
−
| C13H17ClNO || 238 || 1 || [[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C13H17ClNO || 238 || 1 || [[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C3H6N5O || 128 || 1 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;  
+
| C3H6N5O || 128 || 1 || [[MassBank:KOX00104|A196]]&nbsp;  
 
|-
 
|-
  
−
| C6H8NO || 110 || 6 || [[MassBank:KOX00388|Isonicotinate hydrazide]]&nbsp;[[MassBank:KOX00656|2-Aminophenol]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;  
+
| C6H8NO || 110 || 6 || [[MassBank:KOX00388|I066]]&nbsp;[[MassBank:KOX00656|A114]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;  
 
|-
 
|-
  
−
| C8H15O4 || 175 || 1 || [[MassBank:KOX00558|Suberate]]&nbsp;  
+
| C8H15O4 || 175 || 1 || [[MassBank:KOX00558|S013]]&nbsp;  
 
|-
 
|-
  
−
| C16H20NO3 || 274 || 1 || [[MassBank:KOX00865|Scopolamine]]&nbsp;  
+
| C16H20NO3 || 274 || 1 || [[MassBank:KOX00865|S040]]&nbsp;  
 
|-
 
|-
  
−
| C5H12NS || 118 || 2 || [[MassBank:KOX00661|Amifostine]]&nbsp;[[MassBank:KOX00729|Ethionine]]&nbsp;  
+
| C5H12NS || 118 || 2 || [[MassBank:KOX00661|A170]]&nbsp;[[MassBank:KOX00729|E056]]&nbsp;  
 
|-
 
|-
  
−
| C10H10NO3 || 192 || 1 || [[MassBank:KOX00766|Kynurenine]]&nbsp;  
+
| C10H10NO3 || 192 || 1 || [[MassBank:KOX00766|K004]]&nbsp;  
 
|-
 
|-
  
−
| C3H5N || 55 || 3 || [[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00761|b-Imidazolelactate]]&nbsp;  
+
| C3H5N || 55 || 3 || [[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00761|I053]]&nbsp;  
 
|-
 
|-
  
−
| C5H14N || 88 || 1 || [[MassBank:KOX00758|Isoamylamine]]&nbsp;  
+
| C5H14N || 88 || 1 || [[MassBank:KOX00758|I039]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N3O2S || 176 || 1 || [[MassBank:KOX00552|Ranitidine]]&nbsp;  
+
| C5H10N3O2S || 176 || 1 || [[MassBank:KOX00552|R041]]&nbsp;  
 
|-
 
|-
  
−
| C10H11N2O2S || 223 || 1 || [[MassBank:KOX00131|Bentazon]]&nbsp;  
+
| C10H11N2O2S || 223 || 1 || [[MassBank:KOX00131|B072]]&nbsp;  
 
|-
 
|-
  
−
| C4H8N3O2 || 130 || 1 || [[MassBank:KOX00552|Ranitidine]]&nbsp;  
+
| C4H8N3O2 || 130 || 1 || [[MassBank:KOX00552|R041]]&nbsp;  
 
|-
 
|-
  
−
| C6H4Cl2N || 160 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C6H4Cl2N || 160 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C5H12O6P || 199 || 1 || [[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;  
+
| C5H12O6P || 199 || 1 || [[MassBank:KOX00741|G069]]&nbsp;  
 
|-
 
|-
  
−
| C5H7N2 || 95 || 18 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00181|Cimetidine]]&nbsp;[[MassBank:KOX00215|Na,Na-Dimethylhistidine]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00520|Piroxicam]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| C5H7N2 || 95 || 18 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00181|C208]]&nbsp;[[MassBank:KOX00215|D131]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00520|P068]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C8H9ClN || 154 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C8H9ClN || 154 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C12H12N || 170 || 1 || [[MassBank:KOX00704|Diphenylamine]]&nbsp;  
+
| C12H12N || 170 || 1 || [[MassBank:KOX00704|D044]]&nbsp;  
 
|-
 
|-
  
−
| C4H8N3 || 98 || 1 || [[MassBank:KOX00754|Hexamethylene tetramine]]&nbsp;  
+
| C4H8N3 || 98 || 1 || [[MassBank:KOX00754|H112]]&nbsp;  
 
|-
 
|-
  
−
| CH2NO || 44 || 3 || [[MassBank:KOX00753|Hydroxyurea]]&nbsp;[[MassBank:KOX00864|Semicarbazide]]&nbsp;[[MassBank:KOX00914|Urea]]&nbsp;  
+
| CH2NO || 44 || 3 || [[MassBank:KOX00753|H104]]&nbsp;[[MassBank:KOX00864|S034]]&nbsp;[[MassBank:KOX00914|U005]]&nbsp;  
 
|-
 
|-
  
−
| CH5N2O2 || 77 || 1 || [[MassBank:KOX00753|Hydroxyurea]]&nbsp;  
+
| CH5N2O2 || 77 || 1 || [[MassBank:KOX00753|H104]]&nbsp;  
 
|-
 
|-
  
−
| CHF2 || 51 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| CHF2 || 51 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C7H14NO || 128 || 2 || [[MassBank:KOX00090|N-Acetylleucine]]&nbsp;[[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;  
+
| C7H14NO || 128 || 2 || [[MassBank:KOX00090|A145]]&nbsp;[[MassBank:KOX00396|L006]]&nbsp;  
 
|-
 
|-
  
−
| C17H22NO3 || 288 || 1 || [[MassBank:KOX00238|Etodolac]]&nbsp;  
+
| C17H22NO3 || 288 || 1 || [[MassBank:KOX00238|E034]]&nbsp;  
 
|-
 
|-
  
−
| C4H6F || 73 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C4H6F || 73 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C21H24NO5 || 370 || 1 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;  
+
| C21H24NO5 || 370 || 1 || [[MassBank:KOX00658|A137]]&nbsp;  
 
|-
 
|-
  
−
| C6H6O3P || 157 || 1 || [[MassBank:KOX00501|Phenyl phosphate]]&nbsp;  
+
| C6H6O3P || 157 || 1 || [[MassBank:KOX00501|P033]]&nbsp;  
 
|-
 
|-
  
−
| C16H20N3O4 || 318 || 1 || [[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C16H20N3O4 || 318 || 1 || [[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C10H13ClNO2 || 214 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C10H13ClNO2 || 214 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C5H8F2N || 120 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C5H8F2N || 120 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C6H11F2N2O || 165 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C6H11F2N2O || 165 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C6H10F2NO2 || 166 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C6H10F2NO2 || 166 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C6H12N3O || 142 || 1 || [[MassBank:KOX00750|Histidinol]]&nbsp;  
+
| C6H12N3O || 142 || 1 || [[MassBank:KOX00750|H069]]&nbsp;  
 
|-
 
|-
  
−
| C8H8NO3 || 166 || 3 || [[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00883|Tolmetin]]&nbsp;  
+
| C8H8NO3 || 166 || 3 || [[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00883|T044]]&nbsp;  
 
|-
 
|-
  
−
| C7H4NO3S || 182 || 1 || [[MassBank:KOX00131|Bentazon]]&nbsp;  
+
| C7H4NO3S || 182 || 1 || [[MassBank:KOX00131|B072]]&nbsp;  
 
|-
 
|-
  
−
| C4H9O || 73 || 7 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00279|Gly-Gly]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;[[MassBank:KOX00474|L-Ornithine]]&nbsp;[[MassBank:KOX00633|trans-Zeatin]]&nbsp;[[MassBank:KOX00773|b-Leucine]]&nbsp;[[MassBank:KOX00818|D-Ornithine]]&nbsp;  
+
| C4H9O || 73 || 7 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00279|G037]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;[[MassBank:KOX00474|O003]]&nbsp;[[MassBank:KOX00633|Z002]]&nbsp;[[MassBank:KOX00773|L057]]&nbsp;[[MassBank:KOX00818|O005]]&nbsp;  
 
|-
 
|-
  
−
| C9H10NO3 || 180 || 1 || [[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;  
+
| C9H10NO3 || 180 || 1 || [[MassBank:KOX00748|H050]]&nbsp;  
 
|-
 
|-
  
−
| C10H8NO3 || 190 || 1 || [[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;  
+
| C10H8NO3 || 190 || 1 || [[MassBank:KOX00748|H050]]&nbsp;  
 
|-
 
|-
  
−
| C5H15NO4P || 184 || 2 || [[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;  
+
| C5H15NO4P || 184 || 2 || [[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;  
 
|-
 
|-
  
−
| C2H6NO2 || 76 || 5 || [[MassBank:KOX00262|Gly]]&nbsp;[[MassBank:KOX00279|Gly-Gly]]&nbsp;[[MassBank:KOX00284|Glycocholate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;[[MassBank:KOX00701|2,3-Diaminopropionate]]&nbsp;  
+
| C2H6NO2 || 76 || 5 || [[MassBank:KOX00262|G011]]&nbsp;[[MassBank:KOX00279|G037]]&nbsp;[[MassBank:KOX00284|G050]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;[[MassBank:KOX00701|D037]]&nbsp;  
 
|-
 
|-
  
−
| C6H14NO5 || 180 || 3 || [[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;  
+
| C6H14NO5 || 180 || 3 || [[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;  
 
|-
 
|-
  
−
| C7H5Cl2N2 || 187 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C7H5Cl2N2 || 187 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C2H6N3 || 72 || 1 || [[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;  
+
| C2H6N3 || 72 || 1 || [[MassBank:KOX00737|G039]]&nbsp;  
 
|-
 
|-
  
−
| C4H10O7P || 201 || 1 || [[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;  
+
| C4H10O7P || 201 || 1 || [[MassBank:KOX00736|G021]]&nbsp;  
 
|-
 
|-
  
−
| C6H9NO5P || 206 || 1 || [[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;  
+
| C6H9NO5P || 206 || 1 || [[MassBank:KOX00736|G021]]&nbsp;  
 
|-
 
|-
  
−
| C8H5O3 || 149 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C8H5O3 || 149 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C2H9N2 || 61 || 1 || [[MassBank:KOX00223|Daminozide]]&nbsp;  
+
| C2H9N2 || 61 || 1 || [[MassBank:KOX00223|D173]]&nbsp;  
 
|-
 
|-
  
−
| C7H9N || 107 || 4 || [[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;  
+
| C7H9N || 107 || 4 || [[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;  
 
|-
 
|-
  
−
| C6H14NO6 || 196 || 1 || [[MassBank:KOX00288|Glucosaminate]]&nbsp;  
+
| C6H14NO6 || 196 || 1 || [[MassBank:KOX00288|G061]]&nbsp;  
 
|-
 
|-
  
−
| C14H21 || 189 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C14H21 || 189 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C12H12N3 || 198 || 1 || [[MassBank:KOX00694|Cyprodinil]]&nbsp;  
+
| C12H12N3 || 198 || 1 || [[MassBank:KOX00694|C172]]&nbsp;  
 
|-
 
|-
  
−
| C10H15N4O4 || 255 || 1 || [[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C10H15N4O4 || 255 || 1 || [[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C6H11NO6P || 224 || 1 || [[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;  
+
| C6H11NO6P || 224 || 1 || [[MassBank:KOX00736|G021]]&nbsp;  
 
|-
 
|-
  
−
| C12H15N2O2 || 219 || 4 || [[MassBank:KOX00667|DAMGO]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;  
+
| C12H15N2O2 || 219 || 4 || [[MassBank:KOX00667|A226]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;  
 
|-
 
|-
  
−
| C12H10N3O || 212 || 1 || [[MassBank:KOX00422|Milrinone]]&nbsp;  
+
| C12H10N3O || 212 || 1 || [[MassBank:KOX00422|M037]]&nbsp;  
 
|-
 
|-
  
−
| C6H13NO7P || 242 || 1 || [[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;  
+
| C6H13NO7P || 242 || 1 || [[MassBank:KOX00736|G021]]&nbsp;  
 
|-
 
|-
  
−
| C14H12N || 194 || 2 || [[MassBank:KOX00449|Mefenamate]]&nbsp;[[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C14H12N || 194 || 2 || [[MassBank:KOX00449|M089]]&nbsp;[[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C6H7FN || 112 || 1 || [[MassBank:KOX00732|4-Fluoroaniline]]&nbsp;  
+
| C6H7FN || 112 || 1 || [[MassBank:KOX00732|F048]]&nbsp;  
 
|-
 
|-
  
−
| C8H11N2O4S || 231 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C8H11N2O4S || 231 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C10H15N2O || 179 || 1 || [[MassBank:KOX00709|Desthiobiotin]]&nbsp;  
+
| C10H15N2O || 179 || 1 || [[MassBank:KOX00709|D075]]&nbsp;  
 
|-
 
|-
  
−
| C16H23N6O4 || 363 || 1 || [[MassBank:KOX00306|TRH]]&nbsp;  
+
| C16H23N6O4 || 363 || 1 || [[MassBank:KOX00306|G117]]&nbsp;  
 
|-
 
|-
  
−
| C7H11N2O3S2 || 235 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C7H11N2O3S2 || 235 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C12H17N4OS || 265 || 1 || [[MassBank:KOX00606|Thiamine]]&nbsp;  
+
| C12H17N4OS || 265 || 1 || [[MassBank:KOX00606|T056]]&nbsp;  
 
|-
 
|-
  
−
| C7H15N4O || 171 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C7H15N4O || 171 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C8H7O || 119 || 15 || [[MassBank:KOX00189|Dopamine]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00667|DAMGO]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;[[MassBank:KOX00883|Tolmetin]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C8H7O || 119 || 15 || [[MassBank:KOX00189|D046]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00398|L007]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00667|A226]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;[[MassBank:KOX00883|T044]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C15H24N5O8S2 || 466 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C15H24N5O8S2 || 466 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C4H3 || 51 || 72 || [[MassBank:KOX00006|Anthranilate]]&nbsp;[[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00073|Acetanilide]]&nbsp;[[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00189|Dopamine]]&nbsp;[[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;[[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00317|6-Hydroxynicotinate]]&nbsp;[[MassBank:KOX00328|Harman]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00371|Isatin]]&nbsp;[[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00462|Nicotinate]]&nbsp;[[MassBank:KOX00471|Naproxen]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00501|Phenyl phosphate]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00628|Xanthurenate]]&nbsp;[[MassBank:KOX00638|5-Aminoindole]]&nbsp;[[MassBank:KOX00643|Aniline]]&nbsp;[[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00665|2-Amino-2-methyl-1,3-propanediol]]&nbsp;[[MassBank:KOX00670|Benzamidine]]&nbsp;[[MassBank:KOX00671|Benzamide]]&nbsp;[[MassBank:KOX00673|Benzocaine]]&nbsp;[[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00690|2-Cyanopyridine]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00719|2,6-Dimethylaniline]]&nbsp;[[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;[[MassBank:KOX00738|Gramine]]&nbsp;[[MassBank:KOX00745|2-Hydroxypyridine]]&nbsp;[[MassBank:KOX00754|Hexamethylene tetramine]]&nbsp;[[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00763|Isoquinoline]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00789|N-Methylaniline]]&nbsp;[[MassBank:KOX00790|N-Methyl-N-propagylbenzylamine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00825|Pyridine]]&nbsp;[[MassBank:KOX00826|2-Picolate]]&nbsp;[[MassBank:KOX00828|Phenylethylamine]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00832|o-Phenanthroline]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00847|Picolinamide]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;[[MassBank:KOX00860|Quinoline]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C4H3 || 51 || 72 || [[MassBank:KOX00006|A010]]&nbsp;[[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00073|A130]]&nbsp;[[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00189|D046]]&nbsp;[[MassBank:KOX00221|D166]]&nbsp;[[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00317|H015]]&nbsp;[[MassBank:KOX00328|H029]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00371|I019]]&nbsp;[[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00462|N004]]&nbsp;[[MassBank:KOX00471|N018]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00501|P033]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00628|X004]]&nbsp;[[MassBank:KOX00638|A036]]&nbsp;[[MassBank:KOX00643|A054]]&nbsp;[[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00665|A224]]&nbsp;[[MassBank:KOX00670|B004]]&nbsp;[[MassBank:KOX00671|B009]]&nbsp;[[MassBank:KOX00673|B011]]&nbsp;[[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00690|C089]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00719|D178]]&nbsp;[[MassBank:KOX00720|D180]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00730|F013]]&nbsp;[[MassBank:KOX00738|G041]]&nbsp;[[MassBank:KOX00745|H021]]&nbsp;[[MassBank:KOX00754|H112]]&nbsp;[[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00763|I067]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00789|M066]]&nbsp;[[MassBank:KOX00790|M071]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00825|P041]]&nbsp;[[MassBank:KOX00826|P045]]&nbsp;[[MassBank:KOX00828|P047]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00832|P057]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00847|P099]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;[[MassBank:KOX00860|Q008]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C13H13N4O2 || 257 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C13H13N4O2 || 257 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C18H36N || 266 || 1 || [[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;  
+
| C18H36N || 266 || 1 || [[MassBank:KOX00710|D078]]&nbsp;  
 
|-
 
|-
  
−
| C5H15N2S || 135 || 1 || [[MassBank:KOX00661|Amifostine]]&nbsp;  
+
| C5H15N2S || 135 || 1 || [[MassBank:KOX00661|A170]]&nbsp;  
 
|-
 
|-
  
−
| C15H28N5O5 || 358 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C15H28N5O5 || 358 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C12H17F3N || 232 || 1 || [[MassBank:KOX00731|Fenfluramine]]&nbsp;  
+
| C12H17F3N || 232 || 1 || [[MassBank:KOX00731|F016]]&nbsp;  
 
|-
 
|-
  
−
| C10H14NO2 || 180 || 1 || [[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;  
+
| C10H14NO2 || 180 || 1 || [[MassBank:KOX00730|F013]]&nbsp;  
 
|-
 
|-
  
−
| C5H13S || 105 || 1 || [[MassBank:KOX00729|Ethionine]]&nbsp;  
+
| C5H13S || 105 || 1 || [[MassBank:KOX00729|E056]]&nbsp;  
 
|-
 
|-
  
−
| C6H14NO2S || 164 || 1 || [[MassBank:KOX00729|Ethionine]]&nbsp;  
+
| C6H14NO2S || 164 || 1 || [[MassBank:KOX00729|E056]]&nbsp;  
 
|-
 
|-
  
−
| C7H8N4O2 || 180 || 1 || [[MassBank:KOX00684|Caffeine]]&nbsp;  
+
| C7H8N4O2 || 180 || 1 || [[MassBank:KOX00684|C028]]&nbsp;  
 
|-
 
|-
  
−
| C8H8O2 || 136 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C8H8O2 || 136 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C2H7N || 45 || 1 || [[MassBank:KOX00727|Ethylamine]]&nbsp;  
+
| C2H7N || 45 || 1 || [[MassBank:KOX00727|E025]]&nbsp;  
 
|-
 
|-
  
−
| C8H9N || 119 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C8H9N || 119 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C2H10N2 || 62 || 1 || [[MassBank:KOX00727|Ethylamine]]&nbsp;  
+
| C2H10N2 || 62 || 1 || [[MassBank:KOX00727|E025]]&nbsp;  
 
|-
 
|-
  
−
| C3HO || 53 || 1 || [[MassBank:KOX00724|N-Ethylmaleimide]]&nbsp;  
+
| C3HO || 53 || 1 || [[MassBank:KOX00724|E008]]&nbsp;  
 
|-
 
|-
  
−
| C7H10N3O2S || 200 || 1 || [[MassBank:KOX00888|Timolol]]&nbsp;  
+
| C7H10N3O2S || 200 || 1 || [[MassBank:KOX00888|T098]]&nbsp;  
 
|-
 
|-
  
−
| C11H14NO || 176 || 1 || [[MassBank:KOX00723|Eserine]]&nbsp;  
+
| C11H14NO || 176 || 1 || [[MassBank:KOX00723|E007]]&nbsp;  
 
|-
 
|-
  
−
| C10H16NO || 166 || 1 || [[MassBank:KOX00722|Dobutamine]]&nbsp;  
+
| C10H16NO || 166 || 1 || [[MassBank:KOX00722|D185]]&nbsp;  
 
|-
 
|-
  
−
| C18H24NO3 || 302 || 1 || [[MassBank:KOX00722|Dobutamine]]&nbsp;  
+
| C18H24NO3 || 302 || 1 || [[MassBank:KOX00722|D185]]&nbsp;  
 
|-
 
|-
  
−
| C7H8N3O || 150 || 1 || [[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;  
+
| C7H8N3O || 150 || 1 || [[MassBank:KOX00221|D166]]&nbsp;  
 
|-
 
|-
  
−
| C24H31 || 319 || 1 || [[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C24H31 || 319 || 1 || [[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| H2O3P || 81 || 19 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;[[MassBank:KOX00075|2-Amino-3-phosphonopropionate]]&nbsp;[[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;[[MassBank:KOX00211|O, O-Diethyl thiophosphate]]&nbsp;[[MassBank:KOX00218|Diethyl phsophate]]&nbsp;[[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00489|Phosphoenolpyruvate]]&nbsp;[[MassBank:KOX00496|2-Phosphoglycerate]]&nbsp;[[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;[[MassBank:KOX00821|3-Phosphoglycerate]]&nbsp;[[MassBank:KOX00833|O-Phosphoserine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;[[MassBank:KOX00842|Phosphonoacetate]]&nbsp;[[MassBank:KOX00843|Phosphocreatine]]&nbsp;[[MassBank:KOX00907|Glycerophosphate]]&nbsp;  
+
| H2O3P || 81 || 19 || [[MassBank:KOX00045|A056]]&nbsp;[[MassBank:KOX00075|A131]]&nbsp;[[MassBank:KOX00185|D017]]&nbsp;[[MassBank:KOX00211|D113]]&nbsp;[[MassBank:KOX00218|D141]]&nbsp;[[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00489|P007]]&nbsp;[[MassBank:KOX00496|P029]]&nbsp;[[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;[[MassBank:KOX00821|P028]]&nbsp;[[MassBank:KOX00833|P060]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;[[MassBank:KOX00842|P082]]&nbsp;[[MassBank:KOX00843|P084]]&nbsp;[[MassBank:KOX00907|G030]]&nbsp;  
 
|-
 
|-
  
−
| C8H17N2O3 || 189 || 3 || [[MassBank:KOX00095|Ne-Acetyllysine]]&nbsp;[[MassBank:KOX00295|Gly-Leu]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C8H17N2O3 || 189 || 3 || [[MassBank:KOX00095|A174]]&nbsp;[[MassBank:KOX00295|G071]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C6H11N2 || 111 || 1 || [[MassBank:KOX00648|Aminopyrine]]&nbsp;  
+
| C6H11N2 || 111 || 1 || [[MassBank:KOX00648|A069]]&nbsp;  
 
|-
 
|-
  
−
| C6H6 || 78 || 1 || [[MassBank:KOX00720|2,4-Dimethylaniline]]&nbsp;  
+
| C6H6 || 78 || 1 || [[MassBank:KOX00720|D180]]&nbsp;  
 
|-
 
|-
  
−
| C6H8NS || 126 || 4 || [[MassBank:KOX00162|Cocarboxylase]]&nbsp;[[MassBank:KOX00606|Thiamine]]&nbsp;[[MassBank:KOX00608|Thiamine monophosphate]]&nbsp;[[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;  
+
| C6H8NS || 126 || 4 || [[MassBank:KOX00162|C077]]&nbsp;[[MassBank:KOX00606|T056]]&nbsp;[[MassBank:KOX00608|T057]]&nbsp;[[MassBank:KOX00775|M013]]&nbsp;  
 
|-
 
|-
  
−
| C4H6N3 || 96 || 6 || [[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00596|Theophylline]]&nbsp;[[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C4H6N3 || 96 || 6 || [[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00596|T029]]&nbsp;[[MassBank:KOX00664|A203]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C8H11 || 107 || 4 || [[MassBank:KOX00645|1-Adamantanamine]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C8H11 || 107 || 4 || [[MassBank:KOX00645|A061]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N2O3S || 241 || 1 || [[MassBank:KOX00131|Bentazon]]&nbsp;  
+
| C10H13N2O3S || 241 || 1 || [[MassBank:KOX00131|B072]]&nbsp;  
 
|-
 
|-
  
−
| C12H18NO || 192 || 1 || [[MassBank:KOX00718|Diethyl-2-phenylacetamide]]&nbsp;  
+
| C12H18NO || 192 || 1 || [[MassBank:KOX00718|D122]]&nbsp;  
 
|-
 
|-
  
−
| C2H8N3 || 74 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C2H8N3 || 74 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C21H19O8 || 399 || 1 || [[MassBank:KOX00715|Daunorubicin]]&nbsp;  
+
| C21H19O8 || 399 || 1 || [[MassBank:KOX00715|D106]]&nbsp;  
 
|-
 
|-
  
−
| C6H11N2O2 || 143 || 5 || [[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00229|Ectoine]]&nbsp;[[MassBank:KOX00504|Piperacillin]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C6H11N2O2 || 143 || 5 || [[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00229|E011]]&nbsp;[[MassBank:KOX00504|P039]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C5H11O2 || 103 || 2 || [[MassBank:KOX00288|Glucosaminate]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;  
+
| C5H11O2 || 103 || 2 || [[MassBank:KOX00288|G061]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;  
 
|-
 
|-
  
−
| C9H11N2 || 147 || 2 || [[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;  
+
| C9H11N2 || 147 || 2 || [[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;  
 
|-
 
|-
  
−
| C18H38NO || 284 || 1 || [[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;  
+
| C18H38NO || 284 || 1 || [[MassBank:KOX00710|D078]]&nbsp;  
 
|-
 
|-
  
−
| C9H10NO2 || 164 || 2 || [[MassBank:KOX00854|Procaine]]&nbsp;[[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C9H10NO2 || 164 || 2 || [[MassBank:KOX00854|P190]]&nbsp;[[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C3H7S || 75 || 2 || [[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;[[MassBank:KOX00729|Ethionine]]&nbsp;  
+
| C3H7S || 75 || 2 || [[MassBank:KOX00707|D067]]&nbsp;[[MassBank:KOX00729|E056]]&nbsp;  
 
|-
 
|-
  
−
| C24H46NO6 || 444 || 1 || [[MassBank:KOX00518|Psychosine]]&nbsp;  
+
| C24H46NO6 || 444 || 1 || [[MassBank:KOX00518|P067]]&nbsp;  
 
|-
 
|-
  
−
| C2H7N2 || 59 || 2 || [[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00701|2,3-Diaminopropionate]]&nbsp;  
+
| C2H7N2 || 59 || 2 || [[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00701|D037]]&nbsp;  
 
|-
 
|-
  
−
| C9H12N || 134 || 4 || [[MassBank:KOX00667|DAMGO]]&nbsp;[[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;  
+
| C9H12N || 134 || 4 || [[MassBank:KOX00667|A226]]&nbsp;[[MassBank:KOX00703|D039]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;  
 
|-
 
|-
  
−
| C6H11O3S || 163 || 1 || [[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;  
+
| C6H11O3S || 163 || 1 || [[MassBank:KOX00707|D067]]&nbsp;  
 
|-
 
|-
  
−
| C4H9N2 || 85 || 2 || [[MassBank:KOX00754|Hexamethylene tetramine]]&nbsp;[[MassBank:KOX00894|Velpar]]&nbsp;  
+
| C4H9N2 || 85 || 2 || [[MassBank:KOX00754|H112]]&nbsp;[[MassBank:KOX00894|V020]]&nbsp;  
 
|-
 
|-
  
−
| C9H9N || 131 || 5 || [[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;  
+
| C9H9N || 131 || 5 || [[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;  
 
|-
 
|-
  
−
| C9H5O2 || 145 || 2 || [[MassBank:KOX00160|Chlorogenate]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;  
+
| C9H5O2 || 145 || 2 || [[MassBank:KOX00160|C063]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;  
 
|-
 
|-
  
−
| C8H10N5 || 176 || 1 || [[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;  
+
| C8H10N5 || 176 || 1 || [[MassBank:KOX00302|G101]]&nbsp;  
 
|-
 
|-
  
−
| C10H16N || 150 || 1 || [[MassBank:KOX00703|2,6-Diethylaniline]]&nbsp;  
+
| C10H16N || 150 || 1 || [[MassBank:KOX00703|D039]]&nbsp;  
 
|-
 
|-
  
−
| C4H11N2O2 || 119 || 1 || [[MassBank:KOX00702|2,4-Diaminobutyrate]]&nbsp;  
+
| C4H11N2O2 || 119 || 1 || [[MassBank:KOX00702|D038]]&nbsp;  
 
|-
 
|-
  
−
| C2H8NO || 62 || 2 || [[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00726|Ethanolamine]]&nbsp;  
+
| C2H8NO || 62 || 2 || [[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00726|E023]]&nbsp;  
 
|-
 
|-
  
−
| C3H7O9P2 || 249 || 1 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;  
+
| C3H7O9P2 || 249 || 1 || [[MassBank:KOX00185|D017]]&nbsp;  
 
|-
 
|-
  
−
| C5H6 || 66 || 5 || [[MassBank:KOX00643|Aniline]]&nbsp;[[MassBank:KOX00704|Diphenylamine]]&nbsp;[[MassBank:KOX00789|N-Methylaniline]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;  
+
| C5H6 || 66 || 5 || [[MassBank:KOX00643|A054]]&nbsp;[[MassBank:KOX00704|D044]]&nbsp;[[MassBank:KOX00789|M066]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;  
 
|-
 
|-
  
−
| C8H12NO4 || 186 || 2 || [[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;  
+
| C8H12NO4 || 186 || 2 || [[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;  
 
|-
 
|-
  
−
| C10H14N5O3 || 252 || 2 || [[MassBank:KOX00708|2'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00711|5'-Deoxyadenosine]]&nbsp;  
+
| C10H14N5O3 || 252 || 2 || [[MassBank:KOX00708|D069]]&nbsp;[[MassBank:KOX00711|D082]]&nbsp;  
 
|-
 
|-
  
−
| C6H3Cl2 || 145 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C6H3Cl2 || 145 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C9H9ClN3 || 194 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C9H9ClN3 || 194 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C8H14NO5 || 204 || 1 || [[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;  
+
| C8H14NO5 || 204 || 1 || [[MassBank:KOX00067|A122]]&nbsp;  
 
|-
 
|-
  
−
| C6H14NO2 || 132 || 8 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00090|N-Acetylleucine]]&nbsp;[[MassBank:KOX00295|Gly-Leu]]&nbsp;[[MassBank:KOX00364|Ile]]&nbsp;[[MassBank:KOX00391|Leu]]&nbsp;[[MassBank:KOX00469|Norleucine]]&nbsp;[[MassBank:KOX00773|b-Leucine]]&nbsp;[[MassBank:KOX00874|Triethanolamine]]&nbsp;  
+
| C6H14NO2 || 132 || 8 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00090|A145]]&nbsp;[[MassBank:KOX00295|G071]]&nbsp;[[MassBank:KOX00364|I008]]&nbsp;[[MassBank:KOX00391|L003]]&nbsp;[[MassBank:KOX00469|N014]]&nbsp;[[MassBank:KOX00773|L057]]&nbsp;[[MassBank:KOX00874|T022]]&nbsp;  
 
|-
 
|-
  
−
| C11H13O2 || 177 || 1 || [[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C11H13O2 || 177 || 1 || [[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C11H21O4 || 217 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C11H21O4 || 217 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C12H17 || 161 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C12H17 || 161 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C8H6N3O || 160 || 1 || [[MassBank:KOX00693|Carbendazim]]&nbsp;  
+
| C8H6N3O || 160 || 1 || [[MassBank:KOX00693|C170]]&nbsp;  
 
|-
 
|-
  
−
| C11H10FN2O || 205 || 1 || [[MassBank:KOX00692|Ciprofloxacin]]&nbsp;  
+
| C11H10FN2O || 205 || 1 || [[MassBank:KOX00692|C133]]&nbsp;  
 
|-
 
|-
  
−
| C15H10IO4 || 381 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C15H10IO4 || 381 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C3H8N3 || 86 || 3 || [[MassBank:KOX00147|Creatinine]]&nbsp;[[MassBank:KOX00683|Creatine]]&nbsp;[[MassBank:KOX00762|Ismelin]]&nbsp;  
+
| C3H8N3 || 86 || 3 || [[MassBank:KOX00147|C034]]&nbsp;[[MassBank:KOX00683|C008]]&nbsp;[[MassBank:KOX00762|I063]]&nbsp;  
 
|-
 
|-
  
−
| C4H2NO || 80 || 1 || [[MassBank:KOX00724|N-Ethylmaleimide]]&nbsp;  
+
| C4H2NO || 80 || 1 || [[MassBank:KOX00724|E008]]&nbsp;  
 
|-
 
|-
  
−
| C2H4O2P || 91 || 1 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;  
+
| C2H4O2P || 91 || 1 || [[MassBank:KOX00045|A056]]&nbsp;  
 
|-
 
|-
  
−
| C16H19FN3O || 288 || 1 || [[MassBank:KOX00692|Ciprofloxacin]]&nbsp;  
+
| C16H19FN3O || 288 || 1 || [[MassBank:KOX00692|C133]]&nbsp;  
 
|-
 
|-
  
−
| C10H10N5O2 || 232 || 1 || [[MassBank:KOX00004|Adenosine]]&nbsp;  
+
| C10H10N5O2 || 232 || 1 || [[MassBank:KOX00004|A007]]&nbsp;  
 
|-
 
|-
  
−
| C17H19FN3O3 || 332 || 1 || [[MassBank:KOX00692|Ciprofloxacin]]&nbsp;  
+
| C17H19FN3O3 || 332 || 1 || [[MassBank:KOX00692|C133]]&nbsp;  
 
|-
 
|-
  
−
| C8H10NO2 || 152 || 5 || [[MassBank:KOX00456|N-Methylanthranilate]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00892|Terbutaline]]&nbsp;  
+
| C8H10NO2 || 152 || 5 || [[MassBank:KOX00456|M127]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00892|T126]]&nbsp;  
 
|-
 
|-
  
−
| C3H6NS || 88 || 2 || [[MassBank:KOX00689|Cystathionine]]&nbsp;[[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;  
+
| C3H6NS || 88 || 2 || [[MassBank:KOX00689|C047]]&nbsp;[[MassBank:KOX00803|M126]]&nbsp;  
 
|-
 
|-
  
−
| C11H9Cl2NO || 241 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C11H9Cl2NO || 241 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C4H5N2O2 || 113 || 2 || [[MassBank:KOX00295|Gly-Leu]]&nbsp;[[MassBank:KOX00893|Uridine]]&nbsp;  
+
| C4H5N2O2 || 113 || 2 || [[MassBank:KOX00295|G071]]&nbsp;[[MassBank:KOX00893|U006]]&nbsp;  
 
|-
 
|-
  
−
| C13H22N3O8S || 380 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C13H22N3O8S || 380 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C10H15N2O5 || 243 || 1 || [[MassBank:KOX00588|Thymidine]]&nbsp;  
+
| C10H15N2O5 || 243 || 1 || [[MassBank:KOX00588|T014]]&nbsp;  
 
|-
 
|-
  
−
| C7H15N2O4S || 223 || 1 || [[MassBank:KOX00689|Cystathionine]]&nbsp;  
+
| C7H15N2O4S || 223 || 1 || [[MassBank:KOX00689|C047]]&nbsp;  
 
|-
 
|-
  
−
| C9H10N5 || 188 || 1 || [[MassBank:KOX00245|6-Furfurylaminopurine]]&nbsp;  
+
| C9H10N5 || 188 || 1 || [[MassBank:KOX00245|F014]]&nbsp;  
 
|-
 
|-
  
−
| C5H12NO4 || 150 || 1 || [[MassBank:KOX00288|Glucosaminate]]&nbsp;  
+
| C5H12NO4 || 150 || 1 || [[MassBank:KOX00288|G061]]&nbsp;  
 
|-
 
|-
  
−
| C2H5O || 45 || 2 || [[MassBank:KOX00688|Carbachol]]&nbsp;[[MassBank:KOX00726|Ethanolamine]]&nbsp;  
+
| C2H5O || 45 || 2 || [[MassBank:KOX00688|C044]]&nbsp;[[MassBank:KOX00726|E023]]&nbsp;  
 
|-
 
|-
  
−
| C4H9N || 71 || 3 || [[MassBank:KOX00688|Carbachol]]&nbsp;[[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;  
+
| C4H9N || 71 || 3 || [[MassBank:KOX00688|C044]]&nbsp;[[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;  
 
|-
 
|-
  
−
| C9H14NO6 || 232 || 2 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C9H14NO6 || 232 || 2 || [[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C5H15N2 || 103 || 1 || [[MassBank:KOX00685|1,5-Diaminopentane]]&nbsp;  
+
| C5H15N2 || 103 || 1 || [[MassBank:KOX00685|C032]]&nbsp;  
 
|-
 
|-
  
−
| C18H12O2 || 260 || 1 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;  
+
| C18H12O2 || 260 || 1 || [[MassBank:KOX00658|A137]]&nbsp;  
 
|-
 
|-
  
−
| C7H11N2O || 139 || 1 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;  
+
| C7H11N2O || 139 || 1 || [[MassBank:KOX00024|A032]]&nbsp;  
 
|-
 
|-
  
−
| C9H15N2OS || 199 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C9H15N2OS || 199 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C5H12NO || 102 || 2 || [[MassBank:KOX00680|Betaine aldehyde]]&nbsp;[[MassBank:KOX00686|Carnitine]]&nbsp;  
+
| C5H12NO || 102 || 2 || [[MassBank:KOX00680|B044]]&nbsp;[[MassBank:KOX00686|C041]]&nbsp;  
 
|-
 
|-
  
−
| C3H4O5P || 151 || 2 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;[[MassBank:KOX00489|Phosphoenolpyruvate]]&nbsp;  
+
| C3H4O5P || 151 || 2 || [[MassBank:KOX00185|D017]]&nbsp;[[MassBank:KOX00489|P007]]&nbsp;  
 
|-
 
|-
  
−
| C6H18N3 || 132 || 1 || [[MassBank:KOX00679|Bis(3-aminopropyl)amine]]&nbsp;  
+
| C6H18N3 || 132 || 1 || [[MassBank:KOX00679|B040]]&nbsp;  
 
|-
 
|-
  
−
| C5H7FN || 100 || 1 || [[MassBank:KOX00752|Eflornithine]]&nbsp;  
+
| C5H7FN || 100 || 1 || [[MassBank:KOX00752|H097]]&nbsp;  
 
|-
 
|-
  
−
| C14H19N2O2 || 247 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C14H19N2O2 || 247 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C10H13N2O || 177 || 2 || [[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;  
+
| C10H13N2O || 177 || 2 || [[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;  
 
|-
 
|-
  
−
| C13H16N3O3 || 262 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C13H16N3O3 || 262 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C7H7O || 107 || 20 || [[MassBank:KOX00160|Chlorogenate]]&nbsp;[[MassBank:KOX00189|Dopamine]]&nbsp;[[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00722|Dobutamine]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00808|Methoxamine]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;[[MassBank:KOX00881|Trimethoprim]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;[[MassBank:KOX00892|Terbutaline]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C7H7O || 107 || 20 || [[MassBank:KOX00160|C063]]&nbsp;[[MassBank:KOX00189|D046]]&nbsp;[[MassBank:KOX00199|D056]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00385|I050]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00722|D185]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00808|M169]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;[[MassBank:KOX00881|T033]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;[[MassBank:KOX00892|T126]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C14H21N2O3 || 265 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C14H21N2O3 || 265 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C9H10N3O2S2 || 256 || 1 || [[MassBank:KOX00577|Sulfathiazole]]&nbsp;  
+
| C9H10N3O2S2 || 256 || 1 || [[MassBank:KOX00577|S079]]&nbsp;  
 
|-
 
|-
  
−
| C15H23N4O3 || 307 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C15H23N4O3 || 307 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C29H45O2 || 425 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C29H45O2 || 425 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C7H6Cl || 125 || 2 || [[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C7H6Cl || 125 || 2 || [[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C10H8O || 144 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C10H8O || 144 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C10H8ClO || 179 || 1 || [[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C10H8ClO || 179 || 1 || [[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C5H4N || 78 || 41 || [[MassBank:KOX00034|p-Aminobenzoate]]&nbsp;[[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00317|6-Hydroxynicotinate]]&nbsp;[[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00388|Isonicotinate hydrazide]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;[[MassBank:KOX00462|Nicotinate]]&nbsp;[[MassBank:KOX00491|Pyridoxal]]&nbsp;[[MassBank:KOX00510|Pyridoxine]]&nbsp;[[MassBank:KOX00520|Piroxicam]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;[[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;[[MassBank:KOX00690|2-Cyanopyridine]]&nbsp;[[MassBank:KOX00693|Carbendazim]]&nbsp;[[MassBank:KOX00697|N,N-Dimethylaniline]]&nbsp;[[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;[[MassBank:KOX00745|2-Hydroxypyridine]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00754|Hexamethylene tetramine]]&nbsp;[[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00789|N-Methylaniline]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00810|Nicotinamide]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00817|Nalidixate]]&nbsp;[[MassBank:KOX00826|2-Picolate]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00832|o-Phenanthroline]]&nbsp;[[MassBank:KOX00840|4-Pyridoxate]]&nbsp;[[MassBank:KOX00847|Picolinamide]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;[[MassBank:KOX00860|Quinoline]]&nbsp;[[MassBank:KOX00886|Trigonelline]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C5H4N || 78 || 41 || [[MassBank:KOX00034|A043]]&nbsp;[[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00317|H015]]&nbsp;[[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00388|I066]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;[[MassBank:KOX00462|N004]]&nbsp;[[MassBank:KOX00491|P014]]&nbsp;[[MassBank:KOX00510|P053]]&nbsp;[[MassBank:KOX00520|P068]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;[[MassBank:KOX00536|P113]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00657|A123]]&nbsp;[[MassBank:KOX00690|C089]]&nbsp;[[MassBank:KOX00693|C170]]&nbsp;[[MassBank:KOX00697|D032]]&nbsp;[[MassBank:KOX00730|F013]]&nbsp;[[MassBank:KOX00745|H021]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00754|H112]]&nbsp;[[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00789|M066]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00810|N001]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00817|N067]]&nbsp;[[MassBank:KOX00826|P045]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00832|P057]]&nbsp;[[MassBank:KOX00840|P079]]&nbsp;[[MassBank:KOX00847|P099]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;[[MassBank:KOX00860|Q008]]&nbsp;[[MassBank:KOX00886|T060]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C5H14N3 || 116 || 1 || [[MassBank:KOX00672|Buformin]]&nbsp;  
+
| C5H14N3 || 116 || 1 || [[MassBank:KOX00672|B010]]&nbsp;  
 
|-
 
|-
  
−
| C6H16N5 || 158 || 1 || [[MassBank:KOX00672|Buformin]]&nbsp;  
+
| C6H16N5 || 158 || 1 || [[MassBank:KOX00672|B010]]&nbsp;  
 
|-
 
|-
  
−
| C7H9N2 || 121 || 1 || [[MassBank:KOX00670|Benzamidine]]&nbsp;  
+
| C7H9N2 || 121 || 1 || [[MassBank:KOX00670|B004]]&nbsp;  
 
|-
 
|-
  
−
| C12H24N3O6 || 306 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C12H24N3O6 || 306 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C4H8NO4 || 134 || 2 || [[MassBank:KOX00014|Asp]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;  
+
| C4H8NO4 || 134 || 2 || [[MassBank:KOX00014|A017]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;  
 
|-
 
|-
  
−
| C7H7N2 || 119 || 3 || [[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00853|Prowl (TM)]]&nbsp;  
+
| C7H7N2 || 119 || 3 || [[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00853|P183]]&nbsp;  
 
|-
 
|-
  
−
| C11H12N3O || 202 || 1 || [[MassBank:KOX00648|Aminopyrine]]&nbsp;  
+
| C11H12N3O || 202 || 1 || [[MassBank:KOX00648|A069]]&nbsp;  
 
|-
 
|-
  
−
| C12H13N2O || 201 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C12H13N2O || 201 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C8H8N5O2 || 206 || 1 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;  
+
| C8H8N5O2 || 206 || 1 || [[MassBank:KOX00027|A037]]&nbsp;  
 
|-
 
|-
  
−
| C14H28N3O8 || 366 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C14H28N3O8 || 366 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C16H33N4O9 || 425 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C16H33N4O9 || 425 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C17H18NO3 || 284 || 1 || [[MassBank:KOX00133|Bumetanide]]&nbsp;  
+
| C17H18NO3 || 284 || 1 || [[MassBank:KOX00133|B093]]&nbsp;  
 
|-
 
|-
  
−
| C17H20NO2 || 270 || 1 || [[MassBank:KOX00238|Etodolac]]&nbsp;  
+
| C17H20NO2 || 270 || 1 || [[MassBank:KOX00238|E034]]&nbsp;  
 
|-
 
|-
  
−
| C18H35N4O10 || 467 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C18H35N4O10 || 467 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C9H15O5 || 203 || 1 || [[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;  
+
| C9H15O5 || 203 || 1 || [[MassBank:KOX00102|A191]]&nbsp;  
 
|-
 
|-
  
−
| C3H5O2 || 73 || 9 || [[MassBank:KOX00008|D-Ala]]&nbsp;[[MassBank:KOX00010|L-Ala]]&nbsp;[[MassBank:KOX00018|b-Ala]]&nbsp;[[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;[[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00518|Psychosine]]&nbsp;[[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C3H5O2 || 73 || 9 || [[MassBank:KOX00008|A011]]&nbsp;[[MassBank:KOX00010|A015]]&nbsp;[[MassBank:KOX00018|A021]]&nbsp;[[MassBank:KOX00140|C015]]&nbsp;[[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00518|P067]]&nbsp;[[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C10H8N || 142 || 4 || [[MassBank:KOX00328|Harman]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;  
+
| C10H8N || 142 || 4 || [[MassBank:KOX00328|H029]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;  
 
|-
 
|-
  
−
| C22H44N5O13 || 586 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C22H44N5O13 || 586 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C9H17N2O3 || 201 || 1 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;  
+
| C9H17N2O3 || 201 || 1 || [[MassBank:KOX00069|A127]]&nbsp;  
 
|-
 
|-
  
−
| C21H22NO4 || 352 || 2 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00837|Palmatine]]&nbsp;  
+
| C21H22NO4 || 352 || 2 || [[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00837|P071]]&nbsp;  
 
|-
 
|-
  
−
| C13H17N2O2 || 233 || 2 || [[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;  
+
| C13H17N2O2 || 233 || 2 || [[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;  
 
|-
 
|-
  
−
| C6H15N2 || 115 || 1 || [[MassBank:KOX00679|Bis(3-aminopropyl)amine]]&nbsp;  
+
| C6H15N2 || 115 || 1 || [[MassBank:KOX00679|B040]]&nbsp;  
 
|-
 
|-
  
−
| C4H7O || 71 || 3 || [[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;[[MassBank:KOX00665|2-Amino-2-methyl-1,3-propanediol]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;  
+
| C4H7O || 71 || 3 || [[MassBank:KOX00241|F008]]&nbsp;[[MassBank:KOX00665|A224]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;  
 
|-
 
|-
  
−
| C11H26N5O || 244 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C11H26N5O || 244 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C9H9O || 133 || 4 || [[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C9H9O || 133 || 4 || [[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C2H4NO || 58 || 4 || [[MassBank:KOX00406|Met]]&nbsp;[[MassBank:KOX00701|2,3-Diaminopropionate]]&nbsp;[[MassBank:KOX00776|1-Methyl-2-pyrrolidone]]&nbsp;[[MassBank:KOX00904|Acetohydrazide]]&nbsp;  
+
| C2H4NO || 58 || 4 || [[MassBank:KOX00406|M003]]&nbsp;[[MassBank:KOX00701|D037]]&nbsp;[[MassBank:KOX00776|M024]]&nbsp;[[MassBank:KOX00904|A166]]&nbsp;  
 
|-
 
|-
  
−
| C2H9NO3P || 126 || 1 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;  
+
| C2H9NO3P || 126 || 1 || [[MassBank:KOX00045|A056]]&nbsp;  
 
|-
 
|-
  
−
| C6H6NO3 || 140 || 1 || [[MassBank:KOX00317|6-Hydroxynicotinate]]&nbsp;  
+
| C6H6NO3 || 140 || 1 || [[MassBank:KOX00317|H015]]&nbsp;  
 
|-
 
|-
  
−
| C5H8N3 || 110 || 7 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00306|TRH]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C5H8N3 || 110 || 7 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00306|G117]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C10H10F3 || 187 || 1 || [[MassBank:KOX00731|Fenfluramine]]&nbsp;  
+
| C10H10F3 || 187 || 1 || [[MassBank:KOX00731|F016]]&nbsp;  
 
|-
 
|-
  
−
| C19H15FO3S || 342 || 1 || [[MassBank:KOX00869|Sulindac]]&nbsp;  
+
| C19H15FO3S || 342 || 1 || [[MassBank:KOX00869|S054]]&nbsp;  
 
|-
 
|-
  
−
| C9H13N2O6 || 245 || 1 || [[MassBank:KOX00893|Uridine]]&nbsp;  
+
| C9H13N2O6 || 245 || 1 || [[MassBank:KOX00893|U006]]&nbsp;  
 
|-
 
|-
  
−
| C6H4N || 90 || 3 || [[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00693|Carbendazim]]&nbsp;  
+
| C6H4N || 90 || 3 || [[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00693|C170]]&nbsp;  
 
|-
 
|-
  
−
| C12H19N2O2 || 223 || 2 || [[MassBank:KOX00667|DAMGO]]&nbsp;[[MassBank:KOX00815|Neostigmine]]&nbsp;  
+
| C12H19N2O2 || 223 || 2 || [[MassBank:KOX00667|A226]]&nbsp;[[MassBank:KOX00815|N063]]&nbsp;  
 
|-
 
|-
  
−
| C7H9N2O || 137 || 3 || [[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00831|Pralidoxime]]&nbsp;[[MassBank:KOX00858|Pentamidine]]&nbsp;  
+
| C7H9N2O || 137 || 3 || [[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00831|P056]]&nbsp;[[MassBank:KOX00858|P209]]&nbsp;  
 
|-
 
|-
  
−
| C12H15N2O3 || 235 || 1 || [[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C12H15N2O3 || 235 || 1 || [[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C7H16NO2 || 146 || 2 || [[MassBank:KOX00644|Acetylcholine]]&nbsp;[[MassBank:KOX00696|g-Butyrobetaine]]&nbsp;  
+
| C7H16NO2 || 146 || 2 || [[MassBank:KOX00644|A060]]&nbsp;[[MassBank:KOX00696|C220]]&nbsp;  
 
|-
 
|-
  
−
| C11H13Cl2N2O5 || 323 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C11H13Cl2N2O5 || 323 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C7H14N2O2P || 189 || 1 || [[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;  
+
| C7H14N2O2P || 189 || 1 || [[MassBank:KOX00536|P113]]&nbsp;  
 
|-
 
|-
  
−
| C16H25N2O4 || 309 || 1 || [[MassBank:KOX00122|Bestatin]]&nbsp;  
+
| C16H25N2O4 || 309 || 1 || [[MassBank:KOX00122|B018]]&nbsp;  
 
|-
 
|-
  
−
| C6H16N3 || 130 || 1 || [[MassBank:KOX00873|Trientine]]&nbsp;  
+
| C6H16N3 || 130 || 1 || [[MassBank:KOX00873|T021]]&nbsp;  
 
|-
 
|-
  
−
| C15H20N3O3 || 290 || 2 || [[MassBank:KOX00667|DAMGO]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C15H20N3O3 || 290 || 2 || [[MassBank:KOX00667|A226]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C14H18N3O4 || 292 || 1 || [[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C14H18N3O4 || 292 || 1 || [[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C6H5O2 || 109 || 3 || [[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;[[MassBank:KOX00814|Noradrenaline]]&nbsp;  
+
| C6H5O2 || 109 || 3 || [[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00241|F008]]&nbsp;[[MassBank:KOX00814|N028]]&nbsp;  
 
|-
 
|-
  
−
| C12H26N3O7 || 324 || 1 || [[MassBank:KOX00668|Amikacin]]&nbsp;  
+
| C12H26N3O7 || 324 || 1 || [[MassBank:KOX00668|A239]]&nbsp;  
 
|-
 
|-
  
−
| C4H5O2S || 117 || 1 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;  
+
| C4H5O2S || 117 || 1 || [[MassBank:KOX00048|A059]]&nbsp;  
 
|-
 
|-
  
−
| C5H3O2 || 95 || 2 || [[MassBank:KOX00317|6-Hydroxynicotinate]]&nbsp;[[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C5H3O2 || 95 || 2 || [[MassBank:KOX00317|H015]]&nbsp;[[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C9H14N3O5 || 244 || 1 || [[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;  
+
| C9H14N3O5 || 244 || 1 || [[MassBank:KOX00174|C119]]&nbsp;  
 
|-
 
|-
  
−
| C11H13N4O3 || 249 || 1 || [[MassBank:KOX00306|TRH]]&nbsp;  
+
| C11H13N4O3 || 249 || 1 || [[MassBank:KOX00306|G117]]&nbsp;  
 
|-
 
|-
  
−
| C6H2Cl || 109 || 1 || [[MassBank:KOX00695|Clonidine]]&nbsp;  
+
| C6H2Cl || 109 || 1 || [[MassBank:KOX00695|C191]]&nbsp;  
 
|-
 
|-
  
−
| C2H7O5 || 111 || 1 || [[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;  
+
| C2H7O5 || 111 || 1 || [[MassBank:KOX00256|G003]]&nbsp;  
 
|-
 
|-
  
−
| C24H29N4O5 || 453 || 1 || [[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C24H29N4O5 || 453 || 1 || [[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C10H9N2 || 157 || 3 || [[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00422|Milrinone]]&nbsp;  
+
| C10H9N2 || 157 || 3 || [[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00422|M037]]&nbsp;  
 
|-
 
|-
  
−
| C26H34N5O5 || 496 || 1 || [[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C26H34N5O5 || 496 || 1 || [[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C7H10NS || 140 || 1 || [[MassBank:KOX00231|Ethionamide]]&nbsp;  
+
| C7H10NS || 140 || 1 || [[MassBank:KOX00231|E012]]&nbsp;  
 
|-
 
|-
  
−
| C26H36N5O6 || 514 || 1 || [[MassBank:KOX00667|DAMGO]]&nbsp;  
+
| C26H36N5O6 || 514 || 1 || [[MassBank:KOX00667|A226]]&nbsp;  
 
|-
 
|-
  
−
| C12H11 || 155 || 1 || [[MassBank:KOX00856|Propranolol]]&nbsp;  
+
| C12H11 || 155 || 1 || [[MassBank:KOX00856|P192]]&nbsp;  
 
|-
 
|-
  
−
| C2H2ClN2 || 89 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C2H2ClN2 || 89 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C3H4NO || 70 || 13 || [[MassBank:KOX00012|Asn]]&nbsp;[[MassBank:KOX00014|Asp]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00554|Ser]]&nbsp;[[MassBank:KOX00646|Alliin]]&nbsp;[[MassBank:KOX00701|2,3-Diaminopropionate]]&nbsp;[[MassBank:KOX00724|N-Ethylmaleimide]]&nbsp;[[MassBank:KOX00833|O-Phosphoserine]]&nbsp;[[MassBank:KOX00893|Uridine]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C3H4NO || 70 || 13 || [[MassBank:KOX00012|A016]]&nbsp;[[MassBank:KOX00014|A017]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00140|C015]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00554|S002]]&nbsp;[[MassBank:KOX00646|A064]]&nbsp;[[MassBank:KOX00701|D037]]&nbsp;[[MassBank:KOX00724|E008]]&nbsp;[[MassBank:KOX00833|P060]]&nbsp;[[MassBank:KOX00893|U006]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C3H2ClN2 || 101 || 1 || [[MassBank:KOX00666|Amiloride]]&nbsp;  
+
| C3H2ClN2 || 101 || 1 || [[MassBank:KOX00666|A225]]&nbsp;  
 
|-
 
|-
  
−
| C3H7N || 57 || 7 || [[MassBank:KOX00100|2-Amino-2-methylbutanoate]]&nbsp;[[MassBank:KOX00364|Ile]]&nbsp;[[MassBank:KOX00700|N,N-Dimethylglycine]]&nbsp;[[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;[[MassBank:KOX00887|Tropinone]]&nbsp;[[MassBank:KOX00908|Hexylamine]]&nbsp;  
+
| C3H7N || 57 || 7 || [[MassBank:KOX00100|A189]]&nbsp;[[MassBank:KOX00364|I008]]&nbsp;[[MassBank:KOX00700|D036]]&nbsp;[[MassBank:KOX00803|M126]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;[[MassBank:KOX00887|T061]]&nbsp;[[MassBank:KOX00908|H024]]&nbsp;  
 
|-
 
|-
  
−
| C19H22NOS || 312 || 1 || [[MassBank:KOX00796|Methotrimeprazine]]&nbsp;  
+
| C19H22NOS || 312 || 1 || [[MassBank:KOX00796|M099]]&nbsp;  
 
|-
 
|-
  
−
| C2H2NS || 72 || 1 || [[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;  
+
| C2H2NS || 72 || 1 || [[MassBank:KOX00435|M054]]&nbsp;  
 
|-
 
|-
  
−
| C13H11O || 183 || 1 || [[MassBank:KOX00856|Propranolol]]&nbsp;  
+
| C13H11O || 183 || 1 || [[MassBank:KOX00856|P192]]&nbsp;  
 
|-
 
|-
  
−
| C6H8N3 || 122 || 5 || [[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00162|Cocarboxylase]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00606|Thiamine]]&nbsp;[[MassBank:KOX00608|Thiamine monophosphate]]&nbsp;  
+
| C6H8N3 || 122 || 5 || [[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00162|C077]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00606|T056]]&nbsp;[[MassBank:KOX00608|T057]]&nbsp;  
 
|-
 
|-
  
−
| C8H9N2O || 149 || 2 || [[MassBank:KOX00858|Pentamidine]]&nbsp;[[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C8H9N2O || 149 || 2 || [[MassBank:KOX00858|P209]]&nbsp;[[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| H2O2P || 65 || 4 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;[[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;[[MassBank:KOX00211|O, O-Diethyl thiophosphate]]&nbsp;[[MassBank:KOX00842|Phosphonoacetate]]&nbsp;  
+
| H2O2P || 65 || 4 || [[MassBank:KOX00045|A056]]&nbsp;[[MassBank:KOX00185|D017]]&nbsp;[[MassBank:KOX00211|D113]]&nbsp;[[MassBank:KOX00842|P082]]&nbsp;  
 
|-
 
|-
  
−
| C6H13O5 || 165 || 2 || [[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;  
+
| C6H13O5 || 165 || 2 || [[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;  
 
|-
 
|-
  
−
| C21H34N3O5 || 408 || 1 || [[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;  
+
| C21H34N3O5 || 408 || 1 || [[MassBank:KOX00398|L007]]&nbsp;  
 
|-
 
|-
  
−
| C4H12NO2 || 106 || 3 || [[MassBank:KOX00665|2-Amino-2-methyl-1,3-propanediol]]&nbsp;[[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00874|Triethanolamine]]&nbsp;  
+
| C4H12NO2 || 106 || 3 || [[MassBank:KOX00665|A224]]&nbsp;[[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00874|T022]]&nbsp;  
 
|-
 
|-
  
−
| CHClN || 62 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| CHClN || 62 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C13H23O3 || 227 || 2 || [[MassBank:KOX00284|Glycocholate]]&nbsp;[[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C13H23O3 || 227 || 2 || [[MassBank:KOX00284|G050]]&nbsp;[[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| C3H5ClN || 90 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| C3H5ClN || 90 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C5H5N4S || 153 || 1 || [[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;  
+
| C5H5N4S || 153 || 1 || [[MassBank:KOX00435|M054]]&nbsp;  
 
|-
 
|-
  
−
| C8H11S || 139 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C8H11S || 139 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C9H6NO2 || 160 || 1 || [[MassBank:KOX00628|Xanthurenate]]&nbsp;  
+
| C9H6NO2 || 160 || 1 || [[MassBank:KOX00628|X004]]&nbsp;  
 
|-
 
|-
  
−
| C5H5O2 || 97 || 7 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;[[MassBank:KOX00272|Glucose 1-phosphate]]&nbsp;[[MassBank:KOX00483|Orotidine 5'-monophosphate]]&nbsp;[[MassBank:KOX00526|Puromycin]]&nbsp;[[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;[[MassBank:KOX00707|5'-Deoxy-5'-Methylthioadenosine]]&nbsp;  
+
| C5H5O2 || 97 || 7 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00077|A133]]&nbsp;[[MassBank:KOX00272|G020]]&nbsp;[[MassBank:KOX00483|O015]]&nbsp;[[MassBank:KOX00526|P075]]&nbsp;[[MassBank:KOX00636|A020]]&nbsp;[[MassBank:KOX00707|D067]]&nbsp;  
 
|-
 
|-
  
−
| C6H6ClO || 129 || 1 || [[MassBank:KOX00616|Triadimefon]]&nbsp;  
+
| C6H6ClO || 129 || 1 || [[MassBank:KOX00616|T112]]&nbsp;  
 
|-
 
|-
  
−
| C5H16N2O3PS || 215 || 1 || [[MassBank:KOX00661|Amifostine]]&nbsp;  
+
| C5H16N2O3PS || 215 || 1 || [[MassBank:KOX00661|A170]]&nbsp;  
 
|-
 
|-
  
−
| C9H15 || 123 || 2 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;[[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;  
+
| C9H15 || 123 || 2 || [[MassBank:KOX00298|G075]]&nbsp;[[MassBank:KOX00710|D078]]&nbsp;  
 
|-
 
|-
  
−
| C11H12NO4 || 222 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C11H12NO4 || 222 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C5H9N5Cl || 139 || 1 || [[MassBank:KOX00664|Deisopropylatrazine]]&nbsp;  
+
| C5H9N5Cl || 139 || 1 || [[MassBank:KOX00664|A203]]&nbsp;  
 
|-
 
|-
  
−
| C10H16N5O3 || 254 || 1 || [[MassBank:KOX00851|Penciclovir]]&nbsp;  
+
| C10H16N5O3 || 254 || 1 || [[MassBank:KOX00851|P157]]&nbsp;  
 
|-
 
|-
  
−
| C13H8N2S || 224 || 1 || [[MassBank:KOX00785|Methylene blue]]&nbsp;  
+
| C13H8N2S || 224 || 1 || [[MassBank:KOX00785|M047]]&nbsp;  
 
|-
 
|-
  
−
| C9H10NO || 148 || 2 || [[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00882|Tetrahydropalmatine]]&nbsp;  
+
| C9H10NO || 148 || 2 || [[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00882|T041]]&nbsp;  
 
|-
 
|-
  
−
| C8H6O || 118 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C8H6O || 118 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C4H6NO3 || 116 || 5 || [[MassBank:KOX00012|Asn]]&nbsp;[[MassBank:KOX00014|Asp]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;  
+
| C4H6NO3 || 116 || 5 || [[MassBank:KOX00012|A016]]&nbsp;[[MassBank:KOX00014|A017]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;  
 
|-
 
|-
  
−
| C7H6F || 109 || 1 || [[MassBank:KOX00731|Fenfluramine]]&nbsp;  
+
| C7H6F || 109 || 1 || [[MassBank:KOX00731|F016]]&nbsp;  
 
|-
 
|-
  
−
| C6H7O || 95 || 7 || [[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00501|Phenyl phosphate]]&nbsp;[[MassBank:KOX00512|Propylthiouracil]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00674|Baclofen]]&nbsp;[[MassBank:KOX00859|2(1H)-Quinolinone]]&nbsp;  
+
| C6H7O || 95 || 7 || [[MassBank:KOX00290|G062]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00501|P033]]&nbsp;[[MassBank:KOX00512|P055]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00674|B013]]&nbsp;[[MassBank:KOX00859|Q001]]&nbsp;  
 
|-
 
|-
  
−
| C15H18NO5 || 292 || 1 || [[MassBank:KOX00526|Puromycin]]&nbsp;  
+
| C15H18NO5 || 292 || 1 || [[MassBank:KOX00526|P075]]&nbsp;  
 
|-
 
|-
  
−
| C18H20NO || 266 || 1 || [[MassBank:KOX00772|Loperamide]]&nbsp;  
+
| C18H20NO || 266 || 1 || [[MassBank:KOX00772|L047]]&nbsp;  
 
|-
 
|-
  
−
| C9H18NO4 || 204 || 1 || [[MassBank:KOX00659|O-Acetylcarnitine]]&nbsp;  
+
| C9H18NO4 || 204 || 1 || [[MassBank:KOX00659|A143]]&nbsp;  
 
|-
 
|-
  
−
| H3NO2P || 80 || 1 || [[MassBank:KOX00075|2-Amino-3-phosphonopropionate]]&nbsp;  
+
| H3NO2P || 80 || 1 || [[MassBank:KOX00075|A131]]&nbsp;  
 
|-
 
|-
  
−
| C5H11N2O || 115 || 8 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00306|TRH]]&nbsp;[[MassBank:KOX00474|L-Ornithine]]&nbsp;[[MassBank:KOX00818|D-Ornithine]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C5H11N2O || 115 || 8 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00306|G117]]&nbsp;[[MassBank:KOX00474|O003]]&nbsp;[[MassBank:KOX00818|O005]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C15H9 || 189 || 2 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C15H9 || 189 || 2 || [[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C7H8N3 || 134 || 4 || [[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C7H8N3 || 134 || 4 || [[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C3H8NO4S || 154 || 1 || [[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;  
+
| C3H8NO4S || 154 || 1 || [[MassBank:KOX00140|C015]]&nbsp;  
 
|-
 
|-
  
−
| C10H14NO3 || 196 || 1 || [[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;  
+
| C10H14NO3 || 196 || 1 || [[MassBank:KOX00880|T032]]&nbsp;  
 
|-
 
|-
  
−
| C17H11O2 || 247 || 2 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;  
+
| C17H11O2 || 247 || 2 || [[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;  
 
|-
 
|-
  
−
| C8H11NO5P || 232 || 1 || [[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;  
+
| C8H11NO5P || 232 || 1 || [[MassBank:KOX00536|P113]]&nbsp;  
 
|-
 
|-
  
−
| C7H5N3O2 || 163 || 1 || [[MassBank:KOX00684|Caffeine]]&nbsp;  
+
| C7H5N3O2 || 163 || 1 || [[MassBank:KOX00684|C028]]&nbsp;  
 
|-
 
|-
  
−
| C19H14O4 || 306 || 1 || [[MassBank:KOX00658|Allocryptopine]]&nbsp;  
+
| C19H14O4 || 306 || 1 || [[MassBank:KOX00658|A137]]&nbsp;  
 
|-
 
|-
  
−
| C19H25N2OS || 329 || 1 || [[MassBank:KOX00796|Methotrimeprazine]]&nbsp;  
+
| C19H25N2OS || 329 || 1 || [[MassBank:KOX00796|M099]]&nbsp;  
 
|-
 
|-
  
−
| C12H16N4O3PS || 327 || 1 || [[MassBank:KOX00162|Cocarboxylase]]&nbsp;  
+
| C12H16N4O3PS || 327 || 1 || [[MassBank:KOX00162|C077]]&nbsp;  
 
|-
 
|-
  
−
| C11H15 || 147 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C11H15 || 147 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C13H15N2 || 199 || 1 || [[MassBank:KOX00657|9-Amino-1,2,3,4-tetrahydroacridine]]&nbsp;  
+
| C13H15N2 || 199 || 1 || [[MassBank:KOX00657|A123]]&nbsp;  
 
|-
 
|-
  
−
| C12H10Cl || 189 || 1 || [[MassBank:KOX00767|Ketamine]]&nbsp;  
+
| C12H10Cl || 189 || 1 || [[MassBank:KOX00767|K005]]&nbsp;  
 
|-
 
|-
  
−
| C7H20N3 || 146 || 2 || [[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00861|Spermidine]]&nbsp;  
+
| C7H20N3 || 146 || 2 || [[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00861|S003]]&nbsp;  
 
|-
 
|-
  
−
| C15H23O2 || 235 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C15H23O2 || 235 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C11H20NO10 || 326 || 1 || [[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C11H20NO10 || 326 || 1 || [[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C4H5O || 69 || 33 || [[MassBank:KOX00002|GABA]]&nbsp;[[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00027|Adenylosuccinate]]&nbsp;[[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00266|Guanosine]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00483|Orotidine 5'-monophosphate]]&nbsp;[[MassBank:KOX00518|Psychosine]]&nbsp;[[MassBank:KOX00526|Puromycin]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00708|2'-Deoxyadenosine]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;[[MassBank:KOX00776|1-Methyl-2-pyrrolidone]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00841|Purine riboside]]&nbsp;[[MassBank:KOX00893|Uridine]]&nbsp;  
+
| C4H5O || 69 || 33 || [[MassBank:KOX00002|A002]]&nbsp;[[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00027|A037]]&nbsp;[[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00077|A133]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00266|G015]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00483|O015]]&nbsp;[[MassBank:KOX00518|P067]]&nbsp;[[MassBank:KOX00526|P075]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00708|D069]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;[[MassBank:KOX00776|M024]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00841|P081]]&nbsp;[[MassBank:KOX00893|U006]]&nbsp;  
 
|-
 
|-
  
−
| C2HN2O || 69 || 1 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;  
+
| C2HN2O || 69 || 1 || [[MassBank:KOX00104|A196]]&nbsp;  
 
|-
 
|-
  
−
| C5H5N4O || 137 || 1 || [[MassBank:KOX00315|Hypoxanthine]]&nbsp;  
+
| C5H5N4O || 137 || 1 || [[MassBank:KOX00315|H014]]&nbsp;  
 
|-
 
|-
  
−
| C8H13N4O || 181 || 1 || [[MassBank:KOX00136|Carnosine]]&nbsp;  
+
| C8H13N4O || 181 || 1 || [[MassBank:KOX00136|C012]]&nbsp;  
 
|-
 
|-
  
−
| C3H6O6P || 169 || 4 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;[[MassBank:KOX00489|Phosphoenolpyruvate]]&nbsp;[[MassBank:KOX00496|2-Phosphoglycerate]]&nbsp;[[MassBank:KOX00821|3-Phosphoglycerate]]&nbsp;  
+
| C3H6O6P || 169 || 4 || [[MassBank:KOX00185|D017]]&nbsp;[[MassBank:KOX00489|P007]]&nbsp;[[MassBank:KOX00496|P029]]&nbsp;[[MassBank:KOX00821|P028]]&nbsp;  
 
|-
 
|-
  
−
| C12H29N4O || 245 || 1 || [[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;  
+
| C12H29N4O || 245 || 1 || [[MassBank:KOX00654|A111]]&nbsp;  
 
|-
 
|-
  
−
| C14H19N5O11P || 464 || 1 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;  
+
| C14H19N5O11P || 464 || 1 || [[MassBank:KOX00027|A037]]&nbsp;  
 
|-
 
|-
  
−
| C4H10NO || 88 || 5 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00665|2-Amino-2-methyl-1,3-propanediol]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;[[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00874|Triethanolamine]]&nbsp;  
+
| C4H10NO || 88 || 5 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00665|A224]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;[[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00874|T022]]&nbsp;  
 
|-
 
|-
  
−
| C9H8N3O3 || 206 || 1 || [[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;  
+
| C9H8N3O3 || 206 || 1 || [[MassBank:KOX00077|A133]]&nbsp;  
 
|-
 
|-
  
−
| C10H7 || 127 || 6 || [[MassBank:KOX00238|Etodolac]]&nbsp;[[MassBank:KOX00471|Naproxen]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00832|o-Phenanthroline]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;  
+
| C10H7 || 127 || 6 || [[MassBank:KOX00238|E034]]&nbsp;[[MassBank:KOX00471|N018]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00832|P057]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;  
 
|-
 
|-
  
−
| C6H9N2O2 || 141 || 1 || [[MassBank:KOX00138|Citrulline]]&nbsp;  
+
| C6H9N2O2 || 141 || 1 || [[MassBank:KOX00138|C013]]&nbsp;  
 
|-
 
|-
  
−
| C12H27N4 || 227 || 1 || [[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;  
+
| C12H27N4 || 227 || 1 || [[MassBank:KOX00654|A111]]&nbsp;  
 
|-
 
|-
  
−
| C5H10NO3S || 164 || 1 || [[MassBank:KOX00454|Methionine sulfoximine]]&nbsp;  
+
| C5H10NO3S || 164 || 1 || [[MassBank:KOX00454|M114]]&nbsp;  
 
|-
 
|-
  
−
| C2H8O4P || 127 || 1 || [[MassBank:KOX00218|Diethyl phsophate]]&nbsp;  
+
| C2H8O4P || 127 || 1 || [[MassBank:KOX00218|D141]]&nbsp;  
 
|-
 
|-
  
−
| C6H5ClNO2S || 190 || 1 || [[MassBank:KOX00195|Diazoxide]]&nbsp;  
+
| C6H5ClNO2S || 190 || 1 || [[MassBank:KOX00195|D051]]&nbsp;  
 
|-
 
|-
  
−
| C5H15N4 || 131 || 1 || [[MassBank:KOX00653|Agmatine]]&nbsp;  
+
| C5H15N4 || 131 || 1 || [[MassBank:KOX00653|A104]]&nbsp;  
 
|-
 
|-
  
−
| C6H11O10P2 || 305 || 1 || [[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;  
+
| C6H11O10P2 || 305 || 1 || [[MassBank:KOX00241|F008]]&nbsp;  
 
|-
 
|-
  
−
| C8H13N2O2 || 169 || 1 || [[MassBank:KOX00652|Arginine ethyl ester]]&nbsp;  
+
| C8H13N2O2 || 169 || 1 || [[MassBank:KOX00652|A103]]&nbsp;  
 
|-
 
|-
  
−
| C10H8NO || 158 || 3 || [[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;  
+
| C10H8NO || 158 || 3 || [[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;  
 
|-
 
|-
  
−
| C13H18NO6 || 284 || 1 || [[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C13H18NO6 || 284 || 1 || [[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C8H19N4O2 || 203 || 1 || [[MassBank:KOX00652|Arginine ethyl ester]]&nbsp;  
+
| C8H19N4O2 || 203 || 1 || [[MassBank:KOX00652|A103]]&nbsp;  
 
|-
 
|-
  
−
| C19H22N5O4 || 384 || 1 || [[MassBank:KOX00855|Prazosin]]&nbsp;  
+
| C19H22N5O4 || 384 || 1 || [[MassBank:KOX00855|P191]]&nbsp;  
 
|-
 
|-
  
−
| C8H14N || 124 || 3 || [[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;  
+
| C8H14N || 124 || 3 || [[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;  
 
|-
 
|-
  
−
| C2H4N || 42 || 4 || [[MassBank:KOX00560|Sarcosine]]&nbsp;[[MassBank:KOX00759|Imidazole]]&nbsp;[[MassBank:KOX00862|Spermine]]&nbsp;[[MassBank:KOX00884|Trimethylamine N-oxide]]&nbsp;  
+
| C2H4N || 42 || 4 || [[MassBank:KOX00560|S014]]&nbsp;[[MassBank:KOX00759|I046]]&nbsp;[[MassBank:KOX00862|S011]]&nbsp;[[MassBank:KOX00884|T051]]&nbsp;  
 
|-
 
|-
  
−
| C3H7N2O || 87 || 5 || [[MassBank:KOX00012|Asn]]&nbsp;[[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00279|Gly-Gly]]&nbsp;[[MassBank:KOX00683|Creatine]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C3H7N2O || 87 || 5 || [[MassBank:KOX00012|A016]]&nbsp;[[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00279|G037]]&nbsp;[[MassBank:KOX00683|C008]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C8H16NO || 142 || 3 || [[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00747|Hyoscyamine]]&nbsp;[[MassBank:KOX00875|Tropine]]&nbsp;  
+
| C8H16NO || 142 || 3 || [[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00747|H045]]&nbsp;[[MassBank:KOX00875|T024]]&nbsp;  
 
|-
 
|-
  
−
| C10H17N4O5 || 273 || 1 || [[MassBank:KOX00029|Argininosuccinate]]&nbsp;  
+
| C10H17N4O5 || 273 || 1 || [[MassBank:KOX00029|A039]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N || 84 || 24 || [[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00095|Ne-Acetyllysine]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;[[MassBank:KOX00393|Lys]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00459|Minocycline]]&nbsp;[[MassBank:KOX00508|Pipecolate]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;[[MassBank:KOX00659|O-Acetylcarnitine]]&nbsp;[[MassBank:KOX00661|Amifostine]]&nbsp;[[MassBank:KOX00687|Castanospermine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;[[MassBank:KOX00769|Lysinamide]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00861|Spermidine]]&nbsp;[[MassBank:KOX00862|Spermine]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;[[MassBank:KOX00890|Trifluoperazine]]&nbsp;[[MassBank:KOX00900|2,6-Diaminoheptanedioate]]&nbsp;  
+
| C5H10N || 84 || 24 || [[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00095|A174]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;[[MassBank:KOX00393|L004]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00459|M159]]&nbsp;[[MassBank:KOX00508|P048]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00654|A111]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;[[MassBank:KOX00659|A143]]&nbsp;[[MassBank:KOX00661|A170]]&nbsp;[[MassBank:KOX00687|C043]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;[[MassBank:KOX00769|L027]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00861|S003]]&nbsp;[[MassBank:KOX00862|S011]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;[[MassBank:KOX00890|T122]]&nbsp;[[MassBank:KOX00900|D030]]&nbsp;  
 
|-
 
|-
  
−
| C8H8N3O || 162 || 1 || [[MassBank:KOX00721|Dyphylline]]&nbsp;  
+
| C8H8N3O || 162 || 1 || [[MassBank:KOX00721|D183]]&nbsp;  
 
|-
 
|-
  
−
| C4H5N4 || 109 || 5 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00787|1-Methyladenosine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C4H5N4 || 109 || 5 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00787|M051]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C11H10NO3 || 204 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C11H10NO3 || 204 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C6H13N2 || 113 || 3 || [[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00873|Trientine]]&nbsp;[[MassBank:KOX00890|Trifluoperazine]]&nbsp;  
+
| C6H13N2 || 113 || 3 || [[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00873|T021]]&nbsp;[[MassBank:KOX00890|T122]]&nbsp;  
 
|-
 
|-
  
−
| C8H8I2NO || 388 || 1 || [[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;  
+
| C8H8I2NO || 388 || 1 || [[MassBank:KOX00199|D056]]&nbsp;  
 
|-
 
|-
  
−
| C9H9O3 || 165 || 2 || [[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;  
+
| C9H9O3 || 165 || 2 || [[MassBank:KOX00398|L007]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;  
 
|-
 
|-
  
−
| C13H18N3O || 232 || 1 || [[MassBank:KOX00648|Aminopyrine]]&nbsp;  
+
| C13H18N3O || 232 || 1 || [[MassBank:KOX00648|A069]]&nbsp;  
 
|-
 
|-
  
−
| C7H6N3 || 132 || 2 || [[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00693|Carbendazim]]&nbsp;  
+
| C7H6N3 || 132 || 2 || [[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00693|C170]]&nbsp;  
 
|-
 
|-
  
−
| C6H6O || 94 || 2 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;[[MassBank:KOX00514|Phenylephrine]]&nbsp;  
+
| C6H6O || 94 || 2 || [[MassBank:KOX00385|I050]]&nbsp;[[MassBank:KOX00514|P059]]&nbsp;  
 
|-
 
|-
  
−
| C12H8 || 152 || 2 || [[MassBank:KOX00449|Mefenamate]]&nbsp;[[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C12H8 || 152 || 2 || [[MassBank:KOX00449|M089]]&nbsp;[[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C12H16N3O2S || 266 || 1 || [[MassBank:KOX00902|Albendazole]]&nbsp;  
+
| C12H16N3O2S || 266 || 1 || [[MassBank:KOX00902|A082]]&nbsp;  
 
|-
 
|-
  
−
| C2H4NO2 || 74 || 28 || [[MassBank:KOX00012|Asn]]&nbsp;[[MassBank:KOX00014|Asp]]&nbsp;[[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;[[MassBank:KOX00167|Canavanine]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00268|L-Gln]]&nbsp;[[MassBank:KOX00288|Glucosaminate]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00335|cis-4-Hydroxyproline]]&nbsp;[[MassBank:KOX00343|5-Hydroxylysine]]&nbsp;[[MassBank:KOX00393|Lys]]&nbsp;[[MassBank:KOX00454|Methionine sulfoximine]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00593|allo-threonine]]&nbsp;[[MassBank:KOX00646|Alliin]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00702|2,4-Diaminobutyrate]]&nbsp;[[MassBank:KOX00729|Ethionine]]&nbsp;[[MassBank:KOX00748|3-Hydroxykynurenine]]&nbsp;[[MassBank:KOX00766|Kynurenine]]&nbsp;  
+
| C2H4NO2 || 74 || 28 || [[MassBank:KOX00012|A016]]&nbsp;[[MassBank:KOX00014|A017]]&nbsp;[[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00140|C015]]&nbsp;[[MassBank:KOX00167|C094]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00268|G018]]&nbsp;[[MassBank:KOX00288|G061]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00335|H048]]&nbsp;[[MassBank:KOX00343|H064]]&nbsp;[[MassBank:KOX00393|L004]]&nbsp;[[MassBank:KOX00454|M114]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00593|T020]]&nbsp;[[MassBank:KOX00646|A064]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00702|D038]]&nbsp;[[MassBank:KOX00729|E056]]&nbsp;[[MassBank:KOX00748|H050]]&nbsp;[[MassBank:KOX00766|K004]]&nbsp;  
 
|-
 
|-
  
−
| C6H15N2O || 131 || 2 || [[MassBank:KOX00641|N-Acetylputrescine]]&nbsp;[[MassBank:KOX00655|N8-Acetylspermidine]]&nbsp;  
+
| C6H15N2O || 131 || 2 || [[MassBank:KOX00641|A051]]&nbsp;[[MassBank:KOX00655|A112]]&nbsp;  
 
|-
 
|-
  
−
| C13H12N3O || 226 || 1 || [[MassBank:KOX00221|1,5-Diphenylcarbohydrazide]]&nbsp;  
+
| C13H12N3O || 226 || 1 || [[MassBank:KOX00221|D166]]&nbsp;  
 
|-
 
|-
  
−
| C3H10NO2 || 92 || 1 || [[MassBank:KOX00640|3-Amino-1,2-propanediol]]&nbsp;  
+
| C3H10NO2 || 92 || 1 || [[MassBank:KOX00640|A046]]&nbsp;  
 
|-
 
|-
  
−
| C6H10NO2S || 160 || 2 || [[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00504|Piperacillin]]&nbsp;  
+
| C6H10NO2S || 160 || 2 || [[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00504|P039]]&nbsp;  
 
|-
 
|-
  
−
| C6H13N2O || 129 || 3 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;[[MassBank:KOX00769|Lysinamide]]&nbsp;  
+
| C6H13N2O || 129 || 3 || [[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;[[MassBank:KOX00769|L027]]&nbsp;  
 
|-
 
|-
  
−
| C9H11N2O3 || 195 || 1 || [[MassBank:KOX00281|Glu-Glu]]&nbsp;  
+
| C9H11N2O3 || 195 || 1 || [[MassBank:KOX00281|G043]]&nbsp;  
 
|-
 
|-
  
−
| C10H9N || 143 || 8 || [[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;  
+
| C10H9N || 143 || 8 || [[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;  
 
|-
 
|-
  
−
| C3H2N2S || 98 || 1 || [[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;  
+
| C3H2N2S || 98 || 1 || [[MassBank:KOX00451|M104]]&nbsp;  
 
|-
 
|-
  
−
| C3H8NO2 || 90 || 12 || [[MassBank:KOX00008|D-Ala]]&nbsp;[[MassBank:KOX00010|L-Ala]]&nbsp;[[MassBank:KOX00018|b-Ala]]&nbsp;[[MassBank:KOX00083|N-Acetyl-b-alanine]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00560|Sarcosine]]&nbsp;[[MassBank:KOX00662|2-Amino-2-(hydroxymethyl)-1,3-propanediol]]&nbsp;[[MassBank:KOX00663|Ampicillin]]&nbsp;[[MassBank:KOX00683|Creatine]]&nbsp;[[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;[[MassBank:KOX00843|Phosphocreatine]]&nbsp;[[MassBank:KOX00903|Ala-Ala]]&nbsp;  
+
| C3H8NO2 || 90 || 12 || [[MassBank:KOX00008|A011]]&nbsp;[[MassBank:KOX00010|A015]]&nbsp;[[MassBank:KOX00018|A021]]&nbsp;[[MassBank:KOX00083|A138]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00560|S014]]&nbsp;[[MassBank:KOX00662|A194]]&nbsp;[[MassBank:KOX00663|A197]]&nbsp;[[MassBank:KOX00683|C008]]&nbsp;[[MassBank:KOX00737|G039]]&nbsp;[[MassBank:KOX00843|P084]]&nbsp;[[MassBank:KOX00903|A155]]&nbsp;  
 
|-
 
|-
  
−
| C15H17N2O4 || 289 || 1 || [[MassBank:KOX00635|Z-Gly-Pro]]&nbsp;  
+
| C15H17N2O4 || 289 || 1 || [[MassBank:KOX00635|Z003]]&nbsp;  
 
|-
 
|-
  
−
| C11H12NO3 || 206 || 3 || [[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;  
+
| C11H12NO3 || 206 || 3 || [[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;  
 
|-
 
|-
  
−
| C13H19N4O4 || 295 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C13H19N4O4 || 295 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C10H12N5 || 202 || 1 || [[MassBank:KOX00633|trans-Zeatin]]&nbsp;  
+
| C10H12N5 || 202 || 1 || [[MassBank:KOX00633|Z002]]&nbsp;  
 
|-
 
|-
  
−
| C7H5O || 105 || 3 || [[MassBank:KOX00628|Xanthurenate]]&nbsp;[[MassBank:KOX00671|Benzamide]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C7H5O || 105 || 3 || [[MassBank:KOX00628|X004]]&nbsp;[[MassBank:KOX00671|B009]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C8H13N2O4S || 233 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C8H13N2O4S || 233 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C27H39N2O4 || 455 || 1 || [[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C27H39N2O4 || 455 || 1 || [[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C6H6N2O || 122 || 1 || [[MassBank:KOX00620|Urocanate]]&nbsp;  
+
| C6H6N2O || 122 || 1 || [[MassBank:KOX00620|U011]]&nbsp;  
 
|-
 
|-
  
−
| C7H6N5O2 || 192 || 1 || [[MassBank:KOX00027|Adenylosuccinate]]&nbsp;  
+
| C7H6N5O2 || 192 || 1 || [[MassBank:KOX00027|A037]]&nbsp;  
 
|-
 
|-
  
−
| C6H16O9P || 263 || 2 || [[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;  
+
| C6H16O9P || 263 || 2 || [[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;  
 
|-
 
|-
  
−
| CH6N3 || 60 || 16 || [[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;[[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00652|Arginine ethyl ester]]&nbsp;[[MassBank:KOX00653|Agmatine]]&nbsp;[[MassBank:KOX00666|Amiloride]]&nbsp;[[MassBank:KOX00672|Buformin]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;[[MassBank:KOX00781|Metformin]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;[[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| CH6N3 || 60 || 16 || [[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;[[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00652|A103]]&nbsp;[[MassBank:KOX00653|A104]]&nbsp;[[MassBank:KOX00666|A225]]&nbsp;[[MassBank:KOX00672|B010]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00737|G039]]&nbsp;[[MassBank:KOX00781|M032]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;[[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C2H2N2 || 54 || 3 || [[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;  
+
| C2H2N2 || 54 || 3 || [[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;  
 
|-
 
|-
  
−
| C7H6ClO || 141 || 2 || [[MassBank:KOX00616|Triadimefon]]&nbsp;[[MassBank:KOX00674|Baclofen]]&nbsp;  
+
| C7H6ClO || 141 || 2 || [[MassBank:KOX00616|T112]]&nbsp;[[MassBank:KOX00674|B013]]&nbsp;  
 
|-
 
|-
  
−
| C8H7NO || 133 || 1 || [[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;  
+
| C8H7NO || 133 || 1 || [[MassBank:KOX00199|D056]]&nbsp;  
 
|-
 
|-
  
−
| C24H37O || 341 || 1 || [[MassBank:KOX00613|Taurolithocholate]]&nbsp;  
+
| C24H37O || 341 || 1 || [[MassBank:KOX00613|T072]]&nbsp;  
 
|-
 
|-
  
−
| C2H5O2 || 61 || 8 || [[MassBank:KOX00018|b-Ala]]&nbsp;[[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00518|Psychosine]]&nbsp;[[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00712|Dimethyl malate]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;[[MassBank:KOX00905|4-Amino-3-hydroxybutyrate]]&nbsp;  
+
| C2H5O2 || 61 || 8 || [[MassBank:KOX00018|A021]]&nbsp;[[MassBank:KOX00048|A059]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00518|P067]]&nbsp;[[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00712|D083]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;[[MassBank:KOX00905|A204]]&nbsp;  
 
|-
 
|-
  
−
| C5H11O3 || 119 || 1 || [[MassBank:KOX00526|Puromycin]]&nbsp;  
+
| C5H11O3 || 119 || 1 || [[MassBank:KOX00526|P075]]&nbsp;  
 
|-
 
|-
  
−
| C3H6NO || 72 || 24 || [[MassBank:KOX00008|D-Ala]]&nbsp;[[MassBank:KOX00010|L-Ala]]&nbsp;[[MassBank:KOX00018|b-Ala]]&nbsp;[[MassBank:KOX00083|N-Acetyl-b-alanine]]&nbsp;[[MassBank:KOX00147|Creatinine]]&nbsp;[[MassBank:KOX00167|Canavanine]]&nbsp;[[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;[[MassBank:KOX00288|Glucosaminate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00641|N-Acetylputrescine]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00654|N1-Acetylspermine]]&nbsp;[[MassBank:KOX00663|Ampicillin]]&nbsp;[[MassBank:KOX00683|Creatine]]&nbsp;[[MassBank:KOX00718|Diethyl-2-phenylacetamide]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00772|Loperamide]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00815|Neostigmine]]&nbsp;[[MassBank:KOX00852|Pirimicarb]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C3H6NO || 72 || 24 || [[MassBank:KOX00008|A011]]&nbsp;[[MassBank:KOX00010|A015]]&nbsp;[[MassBank:KOX00018|A021]]&nbsp;[[MassBank:KOX00083|A138]]&nbsp;[[MassBank:KOX00147|C034]]&nbsp;[[MassBank:KOX00167|C094]]&nbsp;[[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;[[MassBank:KOX00288|G061]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00641|A051]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00654|A111]]&nbsp;[[MassBank:KOX00663|A197]]&nbsp;[[MassBank:KOX00683|C008]]&nbsp;[[MassBank:KOX00718|D122]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00772|L047]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00815|N063]]&nbsp;[[MassBank:KOX00852|P177]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C26H44NO4S || 466 || 1 || [[MassBank:KOX00613|Taurolithocholate]]&nbsp;  
+
| C26H44NO4S || 466 || 1 || [[MassBank:KOX00613|T072]]&nbsp;  
 
|-
 
|-
  
−
| C18H38NO2 || 300 || 1 || [[MassBank:KOX00518|Psychosine]]&nbsp;  
+
| C18H38NO2 || 300 || 1 || [[MassBank:KOX00518|P067]]&nbsp;  
 
|-
 
|-
  
−
| C11H15O || 163 || 2 || [[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;[[MassBank:KOX00663|Ampicillin]]&nbsp;  
+
| C11H15O || 163 || 2 || [[MassBank:KOX00611|T065]]&nbsp;[[MassBank:KOX00663|A197]]&nbsp;  
 
|-
 
|-
  
−
| C11H9Cl2N2O3 || 287 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C11H9Cl2N2O3 || 287 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C22H23N2O5 || 395 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C22H23N2O5 || 395 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C6H11NO4PS || 224 || 1 || [[MassBank:KOX00608|Thiamine monophosphate]]&nbsp;  
+
| C6H11NO4PS || 224 || 1 || [[MassBank:KOX00608|T057]]&nbsp;  
 
|-
 
|-
  
−
| C26H42NO5S || 480 || 1 || [[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C26H42NO5S || 480 || 1 || [[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| C3H5N2 || 69 || 19 || [[MassBank:KOX00077|5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate]]&nbsp;[[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00145|Cytosine]]&nbsp;[[MassBank:KOX00174|Cytosine arabinoside]]&nbsp;[[MassBank:KOX00197|2'-Deoxycytidine]]&nbsp;[[MassBank:KOX00315|Hypoxanthine]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00596|Theophylline]]&nbsp;[[MassBank:KOX00631|Zalcitabine]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00746|4-Hydroxymethylimidazole]]&nbsp;[[MassBank:KOX00759|Imidazole]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00843|Phosphocreatine]]&nbsp;[[MassBank:KOX00845|Pyrazole]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;[[MassBank:KOX00891|Tioconazole]]&nbsp;  
+
| C3H5N2 || 69 || 19 || [[MassBank:KOX00077|A133]]&nbsp;[[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00145|C033]]&nbsp;[[MassBank:KOX00174|C119]]&nbsp;[[MassBank:KOX00197|D055]]&nbsp;[[MassBank:KOX00315|H014]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00596|T029]]&nbsp;[[MassBank:KOX00631|Z001]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00746|H025]]&nbsp;[[MassBank:KOX00759|I046]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00843|P084]]&nbsp;[[MassBank:KOX00845|P095]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;[[MassBank:KOX00891|T123]]&nbsp;  
 
|-
 
|-
  
−
| C3H5OS || 89 || 1 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;  
+
| C3H5OS || 89 || 1 || [[MassBank:KOX00048|A059]]&nbsp;  
 
|-
 
|-
  
−
| C13H10O2 || 198 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C13H10O2 || 198 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| CH4N3 || 58 || 2 || [[MassBank:KOX00036|3-Amino-1,2,4-triazole]]&nbsp;[[MassBank:KOX00167|Canavanine]]&nbsp;  
+
| CH4N3 || 58 || 2 || [[MassBank:KOX00036|A045]]&nbsp;[[MassBank:KOX00167|C094]]&nbsp;  
 
|-
 
|-
  
−
| C7H17N4O2 || 189 || 2 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;  
+
| C7H17N4O2 || 189 || 2 || [[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;  
 
|-
 
|-
  
−
| C7H4N || 102 || 2 || [[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00371|Isatin]]&nbsp;  
+
| C7H4N || 102 || 2 || [[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00371|I019]]&nbsp;  
 
|-
 
|-
  
−
| H4O4P || 99 || 19 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;[[MassBank:KOX00218|Diethyl phsophate]]&nbsp;[[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;[[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00272|Glucose 1-phosphate]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00489|Phosphoenolpyruvate]]&nbsp;[[MassBank:KOX00496|2-Phosphoglycerate]]&nbsp;[[MassBank:KOX00501|Phenyl phosphate]]&nbsp;[[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00741|Glycerophosphorylcholine]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;[[MassBank:KOX00821|3-Phosphoglycerate]]&nbsp;[[MassBank:KOX00833|O-Phosphoserine]]&nbsp;[[MassBank:KOX00838|Phosphorylcholine]]&nbsp;[[MassBank:KOX00842|Phosphonoacetate]]&nbsp;[[MassBank:KOX00907|Glycerophosphate]]&nbsp;  
+
| H4O4P || 99 || 19 || [[MassBank:KOX00185|D017]]&nbsp;[[MassBank:KOX00218|D141]]&nbsp;[[MassBank:KOX00241|F008]]&nbsp;[[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00272|G020]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00489|P007]]&nbsp;[[MassBank:KOX00496|P029]]&nbsp;[[MassBank:KOX00501|P033]]&nbsp;[[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00611|T065]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00741|G069]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;[[MassBank:KOX00821|P028]]&nbsp;[[MassBank:KOX00833|P060]]&nbsp;[[MassBank:KOX00838|P074]]&nbsp;[[MassBank:KOX00842|P082]]&nbsp;[[MassBank:KOX00907|G030]]&nbsp;  
 
|-
 
|-
  
−
| C14H11NO2 || 225 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C14H11NO2 || 225 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C7H10N5 || 164 || 2 || [[MassBank:KOX00420|Minoxidil]]&nbsp;[[MassBank:KOX00526|Puromycin]]&nbsp;  
+
| C7H10N5 || 164 || 2 || [[MassBank:KOX00420|M035]]&nbsp;[[MassBank:KOX00526|P075]]&nbsp;  
 
|-
 
|-
  
−
| C4H12O3PS || 171 || 1 || [[MassBank:KOX00211|O, O-Diethyl thiophosphate]]&nbsp;  
+
| C4H12O3PS || 171 || 1 || [[MassBank:KOX00211|D113]]&nbsp;  
 
|-
 
|-
  
−
| C6H8NO4 || 158 || 1 || [[MassBank:KOX00233|E-64]]&nbsp;  
+
| C6H8NO4 || 158 || 1 || [[MassBank:KOX00233|E015]]&nbsp;  
 
|-
 
|-
  
−
| C15H16N || 210 || 2 || [[MassBank:KOX00238|Etodolac]]&nbsp;[[MassBank:KOX00772|Loperamide]]&nbsp;  
+
| C15H16N || 210 || 2 || [[MassBank:KOX00238|E034]]&nbsp;[[MassBank:KOX00772|L047]]&nbsp;  
 
|-
 
|-
  
−
| C12H8Cl3S || 289 || 1 || [[MassBank:KOX00891|Tioconazole]]&nbsp;  
+
| C12H8Cl3S || 289 || 1 || [[MassBank:KOX00891|T123]]&nbsp;  
 
|-
 
|-
  
−
| C13H9I2O2 || 451 || 1 || [[MassBank:KOX00599|3,3',5-Triiodothyronine]]&nbsp;  
+
| C13H9I2O2 || 451 || 1 || [[MassBank:KOX00599|T040]]&nbsp;  
 
|-
 
|-
  
−
| C12H18N4O4PS || 345 || 2 || [[MassBank:KOX00162|Cocarboxylase]]&nbsp;[[MassBank:KOX00608|Thiamine monophosphate]]&nbsp;  
+
| C12H18N4O4PS || 345 || 2 || [[MassBank:KOX00162|C077]]&nbsp;[[MassBank:KOX00608|T057]]&nbsp;  
 
|-
 
|-
  
−
| C9H7N2 || 143 || 2 || [[MassBank:KOX00817|Nalidixate]]&nbsp;[[MassBank:KOX00877|Thiabendazole]]&nbsp;  
+
| C9H7N2 || 143 || 2 || [[MassBank:KOX00817|N067]]&nbsp;[[MassBank:KOX00877|T028]]&nbsp;  
 
|-
 
|-
  
−
| C3H3S || 71 || 1 || [[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;  
+
| C3H3S || 71 || 1 || [[MassBank:KOX00775|M013]]&nbsp;  
 
|-
 
|-
  
−
| C13H21N4O7S2 || 409 || 1 || [[MassBank:KOX00734|Oxidized glutathione]]&nbsp;  
+
| C13H21N4O7S2 || 409 || 1 || [[MassBank:KOX00734|G008]]&nbsp;  
 
|-
 
|-
  
−
| C19H13O5 || 321 || 2 || [[MassBank:KOX00205|Doxorubicin]]&nbsp;[[MassBank:KOX00715|Daunorubicin]]&nbsp;  
+
| C19H13O5 || 321 || 2 || [[MassBank:KOX00205|D064]]&nbsp;[[MassBank:KOX00715|D106]]&nbsp;  
 
|-
 
|-
  
−
| C5H10NO4 || 148 || 4 || [[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;[[MassBank:KOX00259|D-Glu]]&nbsp;[[MassBank:KOX00270|L-Glu]]&nbsp;[[MassBank:KOX00281|Glu-Glu]]&nbsp;  
+
| C5H10NO4 || 148 || 4 || [[MassBank:KOX00022|A031]]&nbsp;[[MassBank:KOX00259|G005]]&nbsp;[[MassBank:KOX00270|G019]]&nbsp;[[MassBank:KOX00281|G043]]&nbsp;  
 
|-
 
|-
  
−
| C5H7N2O4S || 191 || 1 || [[MassBank:KOX00689|Cystathionine]]&nbsp;  
+
| C5H7N2O4S || 191 || 1 || [[MassBank:KOX00689|C047]]&nbsp;  
 
|-
 
|-
  
−
| C4H10NO3 || 120 || 5 || [[MassBank:KOX00586|Thr]]&nbsp;[[MassBank:KOX00593|allo-threonine]]&nbsp;[[MassBank:KOX00743|Homoserine]]&nbsp;[[MassBank:KOX00778|a-Methylserine]]&nbsp;[[MassBank:KOX00905|4-Amino-3-hydroxybutyrate]]&nbsp;  
+
| C4H10NO3 || 120 || 5 || [[MassBank:KOX00586|T010]]&nbsp;[[MassBank:KOX00593|T020]]&nbsp;[[MassBank:KOX00743|H003]]&nbsp;[[MassBank:KOX00778|M025]]&nbsp;[[MassBank:KOX00905|A204]]&nbsp;  
 
|-
 
|-
  
−
| C5H13N2O3S || 181 || 1 || [[MassBank:KOX00454|Methionine sulfoximine]]&nbsp;  
+
| C5H13N2O3S || 181 || 1 || [[MassBank:KOX00454|M114]]&nbsp;  
 
|-
 
|-
  
−
| C2H6NO || 60 || 16 || [[MassBank:KOX00012|Asn]]&nbsp;[[MassBank:KOX00083|N-Acetyl-b-alanine]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00554|Ser]]&nbsp;[[MassBank:KOX00641|N-Acetylputrescine]]&nbsp;[[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00710|Dihydrosphingosine]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00782|Metronidazole]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00884|Trimethylamine N-oxide]]&nbsp;[[MassBank:KOX00905|4-Amino-3-hydroxybutyrate]]&nbsp;  
+
| C2H6NO || 60 || 16 || [[MassBank:KOX00012|A016]]&nbsp;[[MassBank:KOX00083|A138]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00554|S002]]&nbsp;[[MassBank:KOX00641|A051]]&nbsp;[[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00710|D078]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00782|M033]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00884|T051]]&nbsp;[[MassBank:KOX00905|A204]]&nbsp;  
 
|-
 
|-
  
−
| C5H5O3S || 145 || 1 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;  
+
| C5H5O3S || 145 || 1 || [[MassBank:KOX00048|A059]]&nbsp;  
 
|-
 
|-
  
−
| C9H7O2 || 147 || 2 || [[MassBank:KOX00580|Tyr]]&nbsp;[[MassBank:KOX00880|Tyrosine methyl  ester]]&nbsp;  
+
| C9H7O2 || 147 || 2 || [[MassBank:KOX00580|T002]]&nbsp;[[MassBank:KOX00880|T032]]&nbsp;  
 
|-
 
|-
  
−
| C13H19N4O3 || 279 || 1 || [[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;  
+
| C13H19N4O3 || 279 || 1 || [[MassBank:KOX00676|B026]]&nbsp;  
 
|-
 
|-
  
−
| C20H29O3 || 317 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C20H29O3 || 317 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C12H23N2O2 || 227 || 1 || [[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;  
+
| C12H23N2O2 || 227 || 1 || [[MassBank:KOX00398|L007]]&nbsp;  
 
|-
 
|-
  
−
| C6H13O3 || 133 || 1 || [[MassBank:KOX00558|Suberate]]&nbsp;  
+
| C6H13O3 || 133 || 1 || [[MassBank:KOX00558|S013]]&nbsp;  
 
|-
 
|-
  
−
| C11H20NO8 || 294 || 1 || [[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;  
+
| C11H20NO8 || 294 || 1 || [[MassBank:KOX00102|A191]]&nbsp;  
 
|-
 
|-
  
−
| C5H8O6P || 195 || 1 || [[MassBank:KOX00483|Orotidine 5'-monophosphate]]&nbsp;  
+
| C5H8O6P || 195 || 1 || [[MassBank:KOX00483|O015]]&nbsp;  
 
|-
 
|-
  
−
| C17H34N || 252 || 1 || [[MassBank:KOX00518|Psychosine]]&nbsp;  
+
| C17H34N || 252 || 1 || [[MassBank:KOX00518|P067]]&nbsp;  
 
|-
 
|-
  
−
| C8H14N3O2 || 184 || 1 || [[MassBank:KOX00215|Na,Na-Dimethylhistidine]]&nbsp;  
+
| C8H14N3O2 || 184 || 1 || [[MassBank:KOX00215|D131]]&nbsp;  
 
|-
 
|-
  
−
| C24H33O || 337 || 2 || [[MassBank:KOX00284|Glycocholate]]&nbsp;[[MassBank:KOX00601|Taurocholate]]&nbsp;  
+
| C24H33O || 337 || 2 || [[MassBank:KOX00284|G050]]&nbsp;[[MassBank:KOX00601|T043]]&nbsp;  
 
|-
 
|-
  
−
| C18H11NO3 || 289 || 1 || [[MassBank:KOX00867|Sanguinarine]]&nbsp;  
+
| C18H11NO3 || 289 || 1 || [[MassBank:KOX00867|S042]]&nbsp;  
 
|-
 
|-
  
−
| C21H25F3N3S || 408 || 1 || [[MassBank:KOX00890|Trifluoperazine]]&nbsp;  
+
| C21H25F3N3S || 408 || 1 || [[MassBank:KOX00890|T122]]&nbsp;  
 
|-
 
|-
  
−
| C17H35N4O10 || 455 || 1 || [[MassBank:KOX00547|Ribostamycin]]&nbsp;  
+
| C17H35N4O10 || 455 || 1 || [[MassBank:KOX00547|R016]]&nbsp;  
 
|-
 
|-
  
−
| C19H27O || 271 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C19H27O || 271 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C4H7O3 || 103 || 5 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;[[MassBank:KOX00686|Carnitine]]&nbsp;[[MassBank:KOX00712|Dimethyl malate]]&nbsp;[[MassBank:KOX00905|4-Amino-3-hydroxybutyrate]]&nbsp;  
+
| C4H7O3 || 103 || 5 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00048|A059]]&nbsp;[[MassBank:KOX00686|C041]]&nbsp;[[MassBank:KOX00712|D083]]&nbsp;[[MassBank:KOX00905|A204]]&nbsp;  
 
|-
 
|-
  
−
| C5H8NO2 || 114 || 9 || [[MassBank:KOX00083|N-Acetyl-b-alanine]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00288|Glucosaminate]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00642|5-Aminolevulinate]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00744|Hydroxyproline]]&nbsp;  
+
| C5H8NO2 || 114 || 9 || [[MassBank:KOX00083|A138]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00288|G061]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00642|A052]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00744|H004]]&nbsp;  
 
|-
 
|-
  
−
| C9H14NO2 || 168 || 4 || [[MassBank:KOX00514|Phenylephrine]]&nbsp;[[MassBank:KOX00725|Epinine]]&nbsp;[[MassBank:KOX00807|Metaraminol]]&nbsp;[[MassBank:KOX00870|Synephrine]]&nbsp;  
+
| C9H14NO2 || 168 || 4 || [[MassBank:KOX00514|P059]]&nbsp;[[MassBank:KOX00725|E013]]&nbsp;[[MassBank:KOX00807|M167]]&nbsp;[[MassBank:KOX00870|S058]]&nbsp;  
 
|-
 
|-
  
−
| C12H9 || 153 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C12H9 || 153 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| H4O3P || 83 || 1 || [[MassBank:KOX00109|(Aminomethyl)phosphonate]]&nbsp;  
+
| H4O3P || 83 || 1 || [[MassBank:KOX00109|A235]]&nbsp;  
 
|-
 
|-
  
−
| C23H33N3O9P || 526 || 1 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;  
+
| C23H33N3O9P || 526 || 1 || [[MassBank:KOX00539|P122]]&nbsp;  
 
|-
 
|-
  
−
| C36H55O10 || 647 || 1 || [[MassBank:KOX00286|Glycyrrhizate]]&nbsp;  
+
| C36H55O10 || 647 || 1 || [[MassBank:KOX00286|G057]]&nbsp;  
 
|-
 
|-
  
−
| C8H7N2 || 131 || 4 || [[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00817|Nalidixate]]&nbsp;[[MassBank:KOX00853|Prowl (TM)]]&nbsp;[[MassBank:KOX00877|Thiabendazole]]&nbsp;  
+
| C8H7N2 || 131 || 4 || [[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00817|N067]]&nbsp;[[MassBank:KOX00853|P183]]&nbsp;[[MassBank:KOX00877|T028]]&nbsp;  
 
|-
 
|-
  
−
| C2H3S || 59 || 3 || [[MassBank:KOX00176|Cysteine S-sulfate]]&nbsp;[[MassBank:KOX00775|4-Methyl-5-thiazoleethanol]]&nbsp;[[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;  
+
| C2H3S || 59 || 3 || [[MassBank:KOX00176|C127]]&nbsp;[[MassBank:KOX00775|M013]]&nbsp;[[MassBank:KOX00803|M126]]&nbsp;  
 
|-
 
|-
  
−
| C6H12N3O2 || 158 || 3 || [[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00652|Arginine ethyl ester]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;  
+
| C6H12N3O2 || 158 || 3 || [[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00652|A103]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;  
 
|-
 
|-
  
−
| C9H8N3O || 174 || 1 || [[MassBank:KOX00136|Carnosine]]&nbsp;  
+
| C9H8N3O || 174 || 1 || [[MassBank:KOX00136|C012]]&nbsp;  
 
|-
 
|-
  
−
| C3H3N2S || 99 || 2 || [[MassBank:KOX00435|6-Mercaptopurine]]&nbsp;[[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;  
+
| C3H3N2S || 99 || 2 || [[MassBank:KOX00435|M054]]&nbsp;[[MassBank:KOX00451|M104]]&nbsp;  
 
|-
 
|-
  
−
| C15H16N3O4 || 302 || 1 || [[MassBank:KOX00504|Piperacillin]]&nbsp;  
+
| C15H16N3O4 || 302 || 1 || [[MassBank:KOX00504|P039]]&nbsp;  
 
|-
 
|-
  
−
| C9H15N4S || 211 || 1 || [[MassBank:KOX00181|Cimetidine]]&nbsp;  
+
| C9H15N4S || 211 || 1 || [[MassBank:KOX00181|C208]]&nbsp;  
 
|-
 
|-
  
−
| C10H15N4O2 || 223 || 1 || [[MassBank:KOX00313|Homocarnosine]]&nbsp;  
+
| C10H15N4O2 || 223 || 1 || [[MassBank:KOX00313|H013]]&nbsp;  
 
|-
 
|-
  
−
| C8H14N2O5P || 249 || 1 || [[MassBank:KOX00536|Pyridoxamine 5'-phosphate]]&nbsp;  
+
| C8H14N2O5P || 249 || 1 || [[MassBank:KOX00536|P113]]&nbsp;  
 
|-
 
|-
  
−
| C8H9O || 121 || 5 || [[MassBank:KOX00526|Puromycin]]&nbsp;[[MassBank:KOX00649|Atropine]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00865|Scopolamine]]&nbsp;[[MassBank:KOX00872|Tyramine]]&nbsp;  
+
| C8H9O || 121 || 5 || [[MassBank:KOX00526|P075]]&nbsp;[[MassBank:KOX00649|A080]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00865|S040]]&nbsp;[[MassBank:KOX00872|T008]]&nbsp;  
 
|-
 
|-
  
−
| C4H5O2 || 85 || 26 || [[MassBank:KOX00004|Adenosine]]&nbsp;[[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;[[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;[[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00259|D-Glu]]&nbsp;[[MassBank:KOX00270|L-Glu]]&nbsp;[[MassBank:KOX00272|Glucose 1-phosphate]]&nbsp;[[MassBank:KOX00281|Glu-Glu]]&nbsp;[[MassBank:KOX00288|Glucosaminate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00440|N-Methylglutamate]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00518|Psychosine]]&nbsp;[[MassBank:KOX00573|Sorbitol 6-phosphate]]&nbsp;[[MassBank:KOX00659|O-Acetylcarnitine]]&nbsp;[[MassBank:KOX00686|Carnitine]]&nbsp;[[MassBank:KOX00702|2,4-Diaminobutyrate]]&nbsp;[[MassBank:KOX00712|Dimethyl malate]]&nbsp;[[MassBank:KOX00729|Ethionine]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00774|Mannitol 1-phosphate]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00905|4-Amino-3-hydroxybutyrate]]&nbsp;  
+
| C4H5O2 || 85 || 26 || [[MassBank:KOX00004|A007]]&nbsp;[[MassBank:KOX00022|A031]]&nbsp;[[MassBank:KOX00048|A059]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;[[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00259|G005]]&nbsp;[[MassBank:KOX00270|G019]]&nbsp;[[MassBank:KOX00272|G020]]&nbsp;[[MassBank:KOX00281|G043]]&nbsp;[[MassBank:KOX00288|G061]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00440|M067]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00518|P067]]&nbsp;[[MassBank:KOX00573|S049]]&nbsp;[[MassBank:KOX00659|A143]]&nbsp;[[MassBank:KOX00686|C041]]&nbsp;[[MassBank:KOX00702|D038]]&nbsp;[[MassBank:KOX00712|D083]]&nbsp;[[MassBank:KOX00729|E056]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00774|M011]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00905|A204]]&nbsp;  
 
|-
 
|-
  
−
| C13H15N4O3 || 275 || 1 || [[MassBank:KOX00881|Trimethoprim]]&nbsp;  
+
| C13H15N4O3 || 275 || 1 || [[MassBank:KOX00881|T033]]&nbsp;  
 
|-
 
|-
  
−
| C2NOS || 86 || 1 || [[MassBank:KOX00512|Propylthiouracil]]&nbsp;  
+
| C2NOS || 86 || 1 || [[MassBank:KOX00512|P055]]&nbsp;  
 
|-
 
|-
  
−
| C9H6NO5 || 208 || 1 || [[MassBank:KOX00868|Specitinomycin]]&nbsp;  
+
| C9H6NO5 || 208 || 1 || [[MassBank:KOX00868|S044]]&nbsp;  
 
|-
 
|-
  
−
| C14H17ClN3O2 || 294 || 1 || [[MassBank:KOX00616|Triadimefon]]&nbsp;  
+
| C14H17ClN3O2 || 294 || 1 || [[MassBank:KOX00616|T112]]&nbsp;  
 
|-
 
|-
  
−
| C9H7O3 || 163 || 2 || [[MassBank:KOX00160|Chlorogenate]]&nbsp;[[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C9H7O3 || 163 || 2 || [[MassBank:KOX00160|C063]]&nbsp;[[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C3H8O7P || 187 || 2 || [[MassBank:KOX00496|2-Phosphoglycerate]]&nbsp;[[MassBank:KOX00821|3-Phosphoglycerate]]&nbsp;  
+
| C3H8O7P || 187 || 2 || [[MassBank:KOX00496|P029]]&nbsp;[[MassBank:KOX00821|P028]]&nbsp;  
 
|-
 
|-
  
−
| C7H8NOS || 154 || 1 || [[MassBank:KOX00512|Propylthiouracil]]&nbsp;  
+
| C7H8NOS || 154 || 1 || [[MassBank:KOX00512|P055]]&nbsp;  
 
|-
 
|-
  
−
| C4H7N2O2 || 115 || 6 || [[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00279|Gly-Gly]]&nbsp;[[MassBank:KOX00504|Piperacillin]]&nbsp;[[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;[[MassBank:KOX00801|Muscimol]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;  
+
| C4H7N2O2 || 115 || 6 || [[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00279|G037]]&nbsp;[[MassBank:KOX00504|P039]]&nbsp;[[MassBank:KOX00737|G039]]&nbsp;[[MassBank:KOX00801|M115]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;  
 
|-
 
|-
  
−
| C6H6NO2 || 124 || 6 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;[[MassBank:KOX00462|Nicotinate]]&nbsp;[[MassBank:KOX00531|2,3-Pyridinedicarboxylate]]&nbsp;[[MassBank:KOX00730|Butyl pyridine-2-carboxylate]]&nbsp;[[MassBank:KOX00757|Isonicotinate]]&nbsp;[[MassBank:KOX00826|2-Picolate]]&nbsp;  
+
| C6H6NO2 || 124 || 6 || [[MassBank:KOX00124|B019]]&nbsp;[[MassBank:KOX00462|N004]]&nbsp;[[MassBank:KOX00531|P094]]&nbsp;[[MassBank:KOX00730|F013]]&nbsp;[[MassBank:KOX00757|I017]]&nbsp;[[MassBank:KOX00826|P045]]&nbsp;  
 
|-
 
|-
  
−
| C9H7O || 131 || 1 || [[MassBank:KOX00485|Phe]]&nbsp;  
+
| C9H7O || 131 || 1 || [[MassBank:KOX00485|P002]]&nbsp;  
 
|-
 
|-
  
−
| C10H14N2O11P || 369 || 1 || [[MassBank:KOX00483|Orotidine 5'-monophosphate]]&nbsp;  
+
| C10H14N2O11P || 369 || 1 || [[MassBank:KOX00483|O015]]&nbsp;  
 
|-
 
|-
  
−
| C7H14N3O2 || 172 || 1 || [[MassBank:KOX00347|Homoarginine]]&nbsp;  
+
| C7H14N3O2 || 172 || 1 || [[MassBank:KOX00347|H073]]&nbsp;  
 
|-
 
|-
  
−
| C8H14NO4 || 188 || 1 || [[MassBank:KOX00478|Octopine]]&nbsp;  
+
| C8H14NO4 || 188 || 1 || [[MassBank:KOX00478|O009]]&nbsp;  
 
|-
 
|-
  
−
| C10H8 || 128 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C10H8 || 128 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C3H8NO5S2 || 202 || 1 || [[MassBank:KOX00176|Cysteine S-sulfate]]&nbsp;  
+
| C3H8NO5S2 || 202 || 1 || [[MassBank:KOX00176|C127]]&nbsp;  
 
|-
 
|-
  
−
| C3H8O3 || 92 || 1 || [[MassBank:KOX00201|2'-Deoxyguanosine]]&nbsp;  
+
| C3H8O3 || 92 || 1 || [[MassBank:KOX00201|D057]]&nbsp;  
 
|-
 
|-
  
−
| C11H9 || 141 || 2 || [[MassBank:KOX00471|Naproxen]]&nbsp;[[MassBank:KOX00856|Propranolol]]&nbsp;  
+
| C11H9 || 141 || 2 || [[MassBank:KOX00471|N018]]&nbsp;[[MassBank:KOX00856|P192]]&nbsp;  
 
|-
 
|-
  
−
| C6H9N2 || 109 || 5 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00823|1,3-Phenylenediamine]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;  
+
| C6H9N2 || 109 || 5 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00823|P035]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;  
 
|-
 
|-
  
−
| C12H9O || 169 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C12H9O || 169 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C13H13O || 185 || 1 || [[MassBank:KOX00471|Naproxen]]&nbsp;  
+
| C13H13O || 185 || 1 || [[MassBank:KOX00471|N018]]&nbsp;  
 
|-
 
|-
  
−
| C10H11N2 || 159 || 5 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;  
+
| C10H11N2 || 159 || 5 || [[MassBank:KOX00539|P122]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;  
 
|-
 
|-
  
−
| C2H7NO2P || 108 || 1 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;  
+
| C2H7NO2P || 108 || 1 || [[MassBank:KOX00045|A056]]&nbsp;  
 
|-
 
|-
  
−
| C5H10NO4S || 180 || 1 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;  
+
| C5H10NO4S || 180 || 1 || [[MassBank:KOX00048|A059]]&nbsp;  
 
|-
 
|-
  
−
| C5H5O3 || 113 || 3 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;[[MassBank:KOX00270|L-Glu]]&nbsp;[[MassBank:KOX00712|Dimethyl malate]]&nbsp;  
+
| C5H5O3 || 113 || 3 || [[MassBank:KOX00048|A059]]&nbsp;[[MassBank:KOX00270|G019]]&nbsp;[[MassBank:KOX00712|D083]]&nbsp;  
 
|-
 
|-
  
−
| C7H5O2 || 121 || 2 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C7H5O2 || 121 || 2 || [[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C9H11INO3 || 308 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C9H11INO3 || 308 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C19H15NO5 || 337 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C19H15NO5 || 337 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C20H18NO5 || 352 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C20H18NO5 || 352 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C10H6N || 140 || 1 || [[MassBank:KOX00422|Milrinone]]&nbsp;  
+
| C10H6N || 140 || 1 || [[MassBank:KOX00422|M037]]&nbsp;  
 
|-
 
|-
  
−
| C5H9O3 || 117 || 4 || [[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;[[MassBank:KOX00335|cis-4-Hydroxyproline]]&nbsp;[[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;  
+
| C5H9O3 || 117 || 4 || [[MassBank:KOX00256|G003]]&nbsp;[[MassBank:KOX00335|H048]]&nbsp;[[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;  
 
|-
 
|-
  
−
| C4H8N3O || 114 || 4 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;[[MassBank:KOX00147|Creatinine]]&nbsp;[[MassBank:KOX00737|b-Guanidinopropionate]]&nbsp;[[MassBank:KOX00894|Velpar]]&nbsp;  
+
| C4H8N3O || 114 || 4 || [[MassBank:KOX00104|A196]]&nbsp;[[MassBank:KOX00147|C034]]&nbsp;[[MassBank:KOX00737|G039]]&nbsp;[[MassBank:KOX00894|V020]]&nbsp;  
 
|-
 
|-
  
−
| C23H28N3O7 || 458 || 1 || [[MassBank:KOX00459|Minocycline]]&nbsp;  
+
| C23H28N3O7 || 458 || 1 || [[MassBank:KOX00459|M159]]&nbsp;  
 
|-
 
|-
  
−
| C6H11O2 || 115 || 5 || [[MassBank:KOX00043|6-Aminohexanoate]]&nbsp;[[MassBank:KOX00391|Leu]]&nbsp;[[MassBank:KOX00469|Norleucine]]&nbsp;[[MassBank:KOX00558|Suberate]]&nbsp;[[MassBank:KOX00773|b-Leucine]]&nbsp;  
+
| C6H11O2 || 115 || 5 || [[MassBank:KOX00043|A053]]&nbsp;[[MassBank:KOX00391|L003]]&nbsp;[[MassBank:KOX00469|N014]]&nbsp;[[MassBank:KOX00558|S013]]&nbsp;[[MassBank:KOX00773|L057]]&nbsp;  
 
|-
 
|-
  
−
| C4H3N3S || 125 || 1 || [[MassBank:KOX00451|6-Methylmercaptopurine]]&nbsp;  
+
| C4H3N3S || 125 || 1 || [[MassBank:KOX00451|M104]]&nbsp;  
 
|-
 
|-
  
−
| C12H7 || 151 || 2 || [[MassBank:KOX00449|Mefenamate]]&nbsp;[[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C12H7 || 151 || 2 || [[MassBank:KOX00449|M089]]&nbsp;[[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C9H12N5O2 || 222 || 1 || [[MassBank:KOX00851|Penciclovir]]&nbsp;  
+
| C9H12N5O2 || 222 || 1 || [[MassBank:KOX00851|P157]]&nbsp;  
 
|-
 
|-
  
−
| C8H7O4 || 167 || 2 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C8H7O4 || 167 || 2 || [[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C3H2NO || 68 || 1 || [[MassBank:KOX00145|Cytosine]]&nbsp;  
+
| C3H2NO || 68 || 1 || [[MassBank:KOX00145|C033]]&nbsp;  
 
|-
 
|-
  
−
| C8H8N3O3 || 194 || 1 || [[MassBank:KOX00853|Prowl (TM)]]&nbsp;  
+
| C8H8N3O3 || 194 || 1 || [[MassBank:KOX00853|P183]]&nbsp;  
 
|-
 
|-
  
−
| C9H7O4 || 179 || 2 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C9H7O4 || 179 || 2 || [[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C26H42NO5 || 448 || 1 || [[MassBank:KOX00284|Glycocholate]]&nbsp;  
+
| C26H42NO5 || 448 || 1 || [[MassBank:KOX00284|G050]]&nbsp;  
 
|-
 
|-
  
−
| C5H12N3 || 114 || 2 || [[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00653|Agmatine]]&nbsp;  
+
| C5H12N3 || 114 || 2 || [[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00653|A104]]&nbsp;  
 
|-
 
|-
  
−
| C5H10NO5 || 164 || 1 || [[MassBank:KOX00288|Glucosaminate]]&nbsp;  
+
| C5H10NO5 || 164 || 1 || [[MassBank:KOX00288|G061]]&nbsp;  
 
|-
 
|-
  
−
| C9H12NO3 || 182 || 2 || [[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;[[MassBank:KOX00580|Tyr]]&nbsp;  
+
| C9H12NO3 || 182 || 2 || [[MassBank:KOX00398|L007]]&nbsp;[[MassBank:KOX00580|T002]]&nbsp;  
 
|-
 
|-
  
−
| C3H7O2S || 107 || 1 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;  
+
| C3H7O2S || 107 || 1 || [[MassBank:KOX00048|A059]]&nbsp;  
 
|-
 
|-
  
−
| C9H15N5 || 193 || 1 || [[MassBank:KOX00420|Minoxidil]]&nbsp;  
+
| C9H15N5 || 193 || 1 || [[MassBank:KOX00420|M035]]&nbsp;  
 
|-
 
|-
  
−
| C6H5N2 || 105 || 6 || [[MassBank:KOX00302|2-Guanidinobenzimidazole]]&nbsp;[[MassBank:KOX00690|2-Cyanopyridine]]&nbsp;[[MassBank:KOX00693|Carbendazim]]&nbsp;[[MassBank:KOX00760|Isonicotinamide]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00853|Prowl (TM)]]&nbsp;  
+
| C6H5N2 || 105 || 6 || [[MassBank:KOX00302|G101]]&nbsp;[[MassBank:KOX00690|C089]]&nbsp;[[MassBank:KOX00693|C170]]&nbsp;[[MassBank:KOX00760|I051]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00853|P183]]&nbsp;  
 
|-
 
|-
  
−
| C3H5N2O2 || 101 || 1 || [[MassBank:KOX00894|Velpar]]&nbsp;  
+
| C3H5N2O2 || 101 || 1 || [[MassBank:KOX00894|V020]]&nbsp;  
 
|-
 
|-
  
−
| C5H9N2 || 97 || 17 || [[MassBank:KOX00024|N-Acetylornithine]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00138|Citrulline]]&nbsp;[[MassBank:KOX00229|Ectoine]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;[[MassBank:KOX00478|Octopine]]&nbsp;[[MassBank:KOX00552|Ranitidine]]&nbsp;[[MassBank:KOX00648|Aminopyrine]]&nbsp;[[MassBank:KOX00653|Agmatine]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00848|Phosphoarginine]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;  
+
| C5H9N2 || 97 || 17 || [[MassBank:KOX00024|A032]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00138|C013]]&nbsp;[[MassBank:KOX00229|E011]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00396|L006]]&nbsp;[[MassBank:KOX00478|O009]]&nbsp;[[MassBank:KOX00552|R041]]&nbsp;[[MassBank:KOX00648|A069]]&nbsp;[[MassBank:KOX00653|A104]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00848|P105]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;  
 
|-
 
|-
  
−
| C5H8NOS || 130 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C5H8NOS || 130 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C5H13N2 || 101 || 2 || [[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00661|Amifostine]]&nbsp;  
+
| C5H13N2 || 101 || 2 || [[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00661|A170]]&nbsp;  
 
|-
 
|-
  
−
| C19H21N2O || 293 || 1 || [[MassBank:KOX00806|Methysergide]]&nbsp;  
+
| C19H21N2O || 293 || 1 || [[MassBank:KOX00806|M156]]&nbsp;  
 
|-
 
|-
  
−
| C4H5O3 || 101 || 1 || [[MassBank:KOX00223|Daminozide]]&nbsp;  
+
| C4H5O3 || 101 || 1 || [[MassBank:KOX00223|D173]]&nbsp;  
 
|-
 
|-
  
−
| CH4O2P || 79 || 2 || [[MassBank:KOX00045|2-Aminoethylphosphonate]]&nbsp;[[MassBank:KOX00075|2-Amino-3-phosphonopropionate]]&nbsp;  
+
| CH4O2P || 79 || 2 || [[MassBank:KOX00045|A056]]&nbsp;[[MassBank:KOX00075|A131]]&nbsp;  
 
|-
 
|-
  
−
| C4H7N2O || 99 || 2 || [[MassBank:KOX00590|Thymine]]&nbsp;[[MassBank:KOX00746|4-Hydroxymethylimidazole]]&nbsp;  
+
| C4H7N2O || 99 || 2 || [[MassBank:KOX00590|T015]]&nbsp;[[MassBank:KOX00746|H025]]&nbsp;  
 
|-
 
|-
  
−
| C3H4N || 54 || 45 || [[MassBank:KOX00032|2-Aminobenzimidazole]]&nbsp;[[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00062|Nw-Acetylhistamine]]&nbsp;[[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00111|Aminophylline]]&nbsp;[[MassBank:KOX00118|Benzimidazole]]&nbsp;[[MassBank:KOX00126|Biotin]]&nbsp;[[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00181|Cimetidine]]&nbsp;[[MassBank:KOX00215|Na,Na-Dimethylhistidine]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;[[MassBank:KOX00427|3-Methylguanine]]&nbsp;[[MassBank:KOX00429|7-Methylguanine]]&nbsp;[[MassBank:KOX00443|1-Methyladenine]]&nbsp;[[MassBank:KOX00512|Propylthiouracil]]&nbsp;[[MassBank:KOX00526|Puromycin]]&nbsp;[[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00590|Thymine]]&nbsp;[[MassBank:KOX00606|Thiamine]]&nbsp;[[MassBank:KOX00608|Thiamine monophosphate]]&nbsp;[[MassBank:KOX00639|3-Aminopropionitrile]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00698|Diethanolamine]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00746|4-Hydroxymethylimidazole]]&nbsp;[[MassBank:KOX00749|Histamine]]&nbsp;[[MassBank:KOX00750|Histidinol]]&nbsp;[[MassBank:KOX00756|Imidazole-4-acetate]]&nbsp;[[MassBank:KOX00761|b-Imidazolelactate]]&nbsp;[[MassBank:KOX00779|5-Methylcytosine]]&nbsp;[[MassBank:KOX00780|3-Methyladenine]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00799|N6-Methyl-2'-deoxyadenosine]]&nbsp;[[MassBank:KOX00802|4-Methylpyrazole]]&nbsp;[[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;[[MassBank:KOX00846|Pyrazinamide]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;[[MassBank:KOX00878|Tolazoline]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;[[MassBank:KOX00913|Pyrimidine]]&nbsp;  
+
| C3H4N || 54 || 45 || [[MassBank:KOX00032|A042]]&nbsp;[[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00062|A093]]&nbsp;[[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00111|A237]]&nbsp;[[MassBank:KOX00118|B007]]&nbsp;[[MassBank:KOX00126|B020]]&nbsp;[[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00181|C208]]&nbsp;[[MassBank:KOX00215|D131]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;[[MassBank:KOX00427|M042]]&nbsp;[[MassBank:KOX00429|M043]]&nbsp;[[MassBank:KOX00443|M074]]&nbsp;[[MassBank:KOX00512|P055]]&nbsp;[[MassBank:KOX00526|P075]]&nbsp;[[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00590|T015]]&nbsp;[[MassBank:KOX00606|T056]]&nbsp;[[MassBank:KOX00608|T057]]&nbsp;[[MassBank:KOX00639|A044]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00698|D033]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00746|H025]]&nbsp;[[MassBank:KOX00749|H058]]&nbsp;[[MassBank:KOX00750|H069]]&nbsp;[[MassBank:KOX00756|I014]]&nbsp;[[MassBank:KOX00761|I053]]&nbsp;[[MassBank:KOX00779|M029]]&nbsp;[[MassBank:KOX00780|M030]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00799|M110]]&nbsp;[[MassBank:KOX00802|M124]]&nbsp;[[MassBank:KOX00803|M126]]&nbsp;[[MassBank:KOX00846|P098]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;[[MassBank:KOX00878|T030]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;[[MassBank:KOX00913|P042]]&nbsp;  
 
|-
 
|-
  
−
| C2H4NS || 74 || 2 || [[MassBank:KOX00176|Cysteine S-sulfate]]&nbsp;[[MassBank:KOX00803|2-Mercapto-1-methylimidazole]]&nbsp;  
+
| C2H4NS || 74 || 2 || [[MassBank:KOX00176|C127]]&nbsp;[[MassBank:KOX00803|M126]]&nbsp;  
 
|-
 
|-
  
−
| C6H10NO3S || 176 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C6H10NO3S || 176 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C11H17N2O6S || 305 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C11H17N2O6S || 305 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C9H18NO5 || 220 || 1 || [[MassBank:KOX00499|Pantothenate]]&nbsp;  
+
| C9H18NO5 || 220 || 1 || [[MassBank:KOX00499|P032]]&nbsp;  
 
|-
 
|-
  
−
| C6H8NO2 || 126 || 10 || [[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00229|Ectoine]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00724|N-Ethylmaleimide]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;  
+
| C6H8NO2 || 126 || 10 || [[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00229|E011]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00724|E008]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;  
 
|-
 
|-
  
−
| C12H18N3O7S || 348 || 1 || [[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;  
+
| C12H18N3O7S || 348 || 1 || [[MassBank:KOX00401|L016]]&nbsp;  
 
|-
 
|-
  
−
| C6H13N2O2S || 177 || 1 || [[MassBank:KOX00689|Cystathionine]]&nbsp;  
+
| C6H13N2O2S || 177 || 1 || [[MassBank:KOX00689|C047]]&nbsp;  
 
|-
 
|-
  
−
| C15H23N2O4 || 295 || 1 || [[MassBank:KOX00398|Leu-Leu-Tyr]]&nbsp;  
+
| C15H23N2O4 || 295 || 1 || [[MassBank:KOX00398|L007]]&nbsp;  
 
|-
 
|-
  
−
| C5H11N2 || 99 || 2 || [[MassBank:KOX00396|Leupeptin hemisulfate]]&nbsp;[[MassBank:KOX00672|Buformin]]&nbsp;  
+
| C5H11N2 || 99 || 2 || [[MassBank:KOX00396|L006]]&nbsp;[[MassBank:KOX00672|B010]]&nbsp;  
 
|-
 
|-
  
−
| C10H15N2O2S || 227 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C10H15N2O2S || 227 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C9H8O3 || 164 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C9H8O3 || 164 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C8H6IO || 245 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C8H6IO || 245 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C12H9N || 167 || 3 || [[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00796|Methotrimeprazine]]&nbsp;[[MassBank:KOX00804|4,4'-Methylene bis(o-chloroaniline)]]&nbsp;  
+
| C12H9N || 167 || 3 || [[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00796|M099]]&nbsp;[[MassBank:KOX00804|M142]]&nbsp;  
 
|-
 
|-
  
−
| C7H7IO || 234 || 1 || [[MassBank:KOX00199|3,5-Diiodo-tyrosine]]&nbsp;  
+
| C7H7IO || 234 || 1 || [[MassBank:KOX00199|D056]]&nbsp;  
 
|-
 
|-
  
−
| C3H9NO5P || 170 || 1 || [[MassBank:KOX00075|2-Amino-3-phosphonopropionate]]&nbsp;  
+
| C3H9NO5P || 170 || 1 || [[MassBank:KOX00075|A131]]&nbsp;  
 
|-
 
|-
  
−
| C5H9O || 85 || 1 || [[MassBank:KOX00347|Homoarginine]]&nbsp;  
+
| C5H9O || 85 || 1 || [[MassBank:KOX00347|H073]]&nbsp;  
 
|-
 
|-
  
−
| C7H9S || 125 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C7H9S || 125 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C3H6NO2S || 120 || 1 || [[MassBank:KOX00176|Cysteine S-sulfate]]&nbsp;  
+
| C3H6NO2S || 120 || 1 || [[MassBank:KOX00176|C127]]&nbsp;  
 
|-
 
|-
  
−
| C4H6NO2 || 100 || 1 || [[MassBank:KOX00223|Daminozide]]&nbsp;  
+
| C4H6NO2 || 100 || 1 || [[MassBank:KOX00223|D173]]&nbsp;  
 
|-
 
|-
  
−
| C5H10N5O || 156 || 1 || [[MassBank:KOX00104|Hydroxyatrazine]]&nbsp;  
+
| C5H10N5O || 156 || 1 || [[MassBank:KOX00104|A196]]&nbsp;  
 
|-
 
|-
  
−
| C8H7N || 117 || 21 || [[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00359|4-Hydroxyquinoline]]&nbsp;[[MassBank:KOX00374|3-Indoleacetonitrile]]&nbsp;[[MassBank:KOX00377|3-Indolebutyrate]]&nbsp;[[MassBank:KOX00379|Indole-3-acetamide]]&nbsp;[[MassBank:KOX00381|Indole-3-acetate]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00445|5-Methoxy-3-indoleaceate]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00604|Tryptophanamide]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00723|Eserine]]&nbsp;[[MassBank:KOX00797|Nw-Methyltryptamine]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00809|Myosmine]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00832|o-Phenanthroline]]&nbsp;[[MassBank:KOX00866|Serotonin]]&nbsp;[[MassBank:KOX00879|Tryptamine]]&nbsp;[[MassBank:KOX00912|Nornicotine]]&nbsp;  
+
| C8H7N || 117 || 21 || [[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00359|H139]]&nbsp;[[MassBank:KOX00374|I022]]&nbsp;[[MassBank:KOX00377|I025]]&nbsp;[[MassBank:KOX00379|I030]]&nbsp;[[MassBank:KOX00381|I038]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00445|M078]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00604|T054]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00723|E007]]&nbsp;[[MassBank:KOX00797|M101]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00809|M172]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00832|P057]]&nbsp;[[MassBank:KOX00866|S041]]&nbsp;[[MassBank:KOX00879|T031]]&nbsp;[[MassBank:KOX00912|N044]]&nbsp;  
 
|-
 
|-
  
−
| C10H12N || 146 || 2 || [[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;  
+
| C10H12N || 146 || 2 || [[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;  
 
|-
 
|-
  
−
| C11H12N2 || 172 || 1 || [[MassBank:KOX00325|Harmaline]]&nbsp;  
+
| C11H12N2 || 172 || 1 || [[MassBank:KOX00325|H027]]&nbsp;  
 
|-
 
|-
  
−
| C11H12NO || 174 || 6 || [[MassBank:KOX00325|Harmaline]]&nbsp;[[MassBank:KOX00424|5-Methoxytryptamine]]&nbsp;[[MassBank:KOX00433|Melatonin]]&nbsp;[[MassBank:KOX00676|Na-Benzenolarginine ethylester]]&nbsp;[[MassBank:KOX00798|5-Methoxy-N,N-dimethyltryptamine]]&nbsp;[[MassBank:KOX00834|Primidone]]&nbsp;  
+
| C11H12NO || 174 || 6 || [[MassBank:KOX00325|H027]]&nbsp;[[MassBank:KOX00424|M040]]&nbsp;[[MassBank:KOX00433|M053]]&nbsp;[[MassBank:KOX00676|B026]]&nbsp;[[MassBank:KOX00798|M103]]&nbsp;[[MassBank:KOX00834|P061]]&nbsp;  
 
|-
 
|-
  
−
| C6H12NO2 || 130 || 8 || [[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00069|b-Ala-Lys]]&nbsp;[[MassBank:KOX00095|Ne-Acetyllysine]]&nbsp;[[MassBank:KOX00205|Doxorubicin]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;[[MassBank:KOX00393|Lys]]&nbsp;[[MassBank:KOX00508|Pipecolate]]&nbsp;[[MassBank:KOX00715|Daunorubicin]]&nbsp;  
+
| C6H12NO2 || 130 || 8 || [[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00069|A127]]&nbsp;[[MassBank:KOX00095|A174]]&nbsp;[[MassBank:KOX00205|D064]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;[[MassBank:KOX00393|L004]]&nbsp;[[MassBank:KOX00508|P048]]&nbsp;[[MassBank:KOX00715|D106]]&nbsp;  
 
|-
 
|-
  
−
| C9H13 || 121 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C9H13 || 121 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C12H15 || 159 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C12H15 || 159 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C8H9N2 || 133 || 4 || [[MassBank:KOX00231|Ethionamide]]&nbsp;[[MassBank:KOX00637|4-Aminoindole]]&nbsp;[[MassBank:KOX00638|5-Aminoindole]]&nbsp;[[MassBank:KOX00694|Cyprodinil]]&nbsp;  
+
| C8H9N2 || 133 || 4 || [[MassBank:KOX00231|E012]]&nbsp;[[MassBank:KOX00637|A035]]&nbsp;[[MassBank:KOX00638|A036]]&nbsp;[[MassBank:KOX00694|C172]]&nbsp;  
 
|-
 
|-
  
−
| C13H21 || 177 || 1 || [[MassBank:KOX00298|Glycyrrhetinate]]&nbsp;  
+
| C13H21 || 177 || 1 || [[MassBank:KOX00298|G075]]&nbsp;  
 
|-
 
|-
  
−
| C3H5O3 || 89 || 2 || [[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00821|3-Phosphoglycerate]]&nbsp;  
+
| C3H5O3 || 89 || 2 || [[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00821|P028]]&nbsp;  
 
|-
 
|-
  
−
| C4H4N || 66 || 9 || [[MassBank:KOX00056|N-Acetylhistidine]]&nbsp;[[MassBank:KOX00308|His]]&nbsp;[[MassBank:KOX00317|6-Hydroxynicotinate]]&nbsp;[[MassBank:KOX00388|Isonicotinate hydrazide]]&nbsp;[[MassBank:KOX00467|p-Nitroaniline]]&nbsp;[[MassBank:KOX00620|Urocanate]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00788|1-Methylnicotinamide]]&nbsp;[[MassBank:KOX00823|1,3-Phenylenediamine]]&nbsp;  
+
| C4H4N || 66 || 9 || [[MassBank:KOX00056|A073]]&nbsp;[[MassBank:KOX00308|H002]]&nbsp;[[MassBank:KOX00317|H015]]&nbsp;[[MassBank:KOX00388|I066]]&nbsp;[[MassBank:KOX00467|N012]]&nbsp;[[MassBank:KOX00620|U011]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00788|M063]]&nbsp;[[MassBank:KOX00823|P035]]&nbsp;  
 
|-
 
|-
  
−
| C11H9ClNO || 206 || 1 || [[MassBank:KOX00157|Chloramphenicol]]&nbsp;  
+
| C11H9ClNO || 206 || 1 || [[MassBank:KOX00157|C057]]&nbsp;  
 
|-
 
|-
  
−
| C5H8N2 || 96 || 4 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00793|D-3-Methylhistidine]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;  
+
| C5H8N2 || 96 || 4 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00793|M077]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;  
 
|-
 
|-
  
−
| C7H7N || 105 || 1 || [[MassBank:KOX00433|Melatonin]]&nbsp;  
+
| C7H7N || 105 || 1 || [[MassBank:KOX00433|M053]]&nbsp;  
 
|-
 
|-
  
−
| C5H13N2O2S || 165 || 1 || [[MassBank:KOX00689|Cystathionine]]&nbsp;  
+
| C5H13N2O2S || 165 || 1 || [[MassBank:KOX00689|C047]]&nbsp;  
 
|-
 
|-
  
−
| C11H10NO5 || 236 || 1 || [[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C11H10NO5 || 236 || 1 || [[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C6H8N3O || 138 || 4 || [[MassBank:KOX00136|Carnosine]]&nbsp;[[MassBank:KOX00388|Isonicotinate hydrazide]]&nbsp;[[MassBank:KOX00684|Caffeine]]&nbsp;[[MassBank:KOX00876|Theobromine]]&nbsp;  
+
| C6H8N3O || 138 || 4 || [[MassBank:KOX00136|C012]]&nbsp;[[MassBank:KOX00388|I066]]&nbsp;[[MassBank:KOX00684|C028]]&nbsp;[[MassBank:KOX00876|T027]]&nbsp;  
 
|-
 
|-
  
−
| C6H9O2 || 113 || 5 || [[MassBank:KOX00041|1-Amino-1-cyclopentanecarboxylate]]&nbsp;[[MassBank:KOX00205|Doxorubicin]]&nbsp;[[MassBank:KOX00499|Pantothenate]]&nbsp;[[MassBank:KOX00715|Daunorubicin]]&nbsp;[[MassBank:KOX00820|Oleandomycin]]&nbsp;  
+
| C6H9O2 || 113 || 5 || [[MassBank:KOX00041|A050]]&nbsp;[[MassBank:KOX00205|D064]]&nbsp;[[MassBank:KOX00499|P032]]&nbsp;[[MassBank:KOX00715|D106]]&nbsp;[[MassBank:KOX00820|O016]]&nbsp;  
 
|-
 
|-
  
−
| C16H13F3NS || 308 || 1 || [[MassBank:KOX00890|Trifluoperazine]]&nbsp;  
+
| C16H13F3NS || 308 || 1 || [[MassBank:KOX00890|T122]]&nbsp;  
 
|-
 
|-
  
−
| C8H5N3O || 159 || 1 || [[MassBank:KOX00902|Albendazole]]&nbsp;  
+
| C8H5N3O || 159 || 1 || [[MassBank:KOX00902|A082]]&nbsp;  
 
|-
 
|-
  
−
| C9H11O6 || 215 || 2 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;  
+
| C9H11O6 || 215 || 2 || [[MassBank:KOX00016|A018]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;  
 
|-
 
|-
  
−
| C10H15N2O6 || 259 || 1 || [[MassBank:KOX00281|Glu-Glu]]&nbsp;  
+
| C10H15N2O6 || 259 || 1 || [[MassBank:KOX00281|G043]]&nbsp;  
 
|-
 
|-
  
−
| C5H7N2O || 111 || 2 || [[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;[[MassBank:KOX00761|b-Imidazolelactate]]&nbsp;  
+
| C5H7N2O || 111 || 2 || [[MassBank:KOX00276|G032]]&nbsp;[[MassBank:KOX00761|I053]]&nbsp;  
 
|-
 
|-
  
−
| C2H6O5 || 110 || 1 || [[MassBank:KOX00256|Glucose 6-phosphate]]&nbsp;  
+
| C2H6O5 || 110 || 1 || [[MassBank:KOX00256|G003]]&nbsp;  
 
|-
 
|-
  
−
| C5H9N2O2 || 129 || 2 || [[MassBank:KOX00223|Daminozide]]&nbsp;[[MassBank:KOX00276|g-Guanidinobutyrate]]&nbsp;  
+
| C5H9N2O2 || 129 || 2 || [[MassBank:KOX00223|D173]]&nbsp;[[MassBank:KOX00276|G032]]&nbsp;  
 
|-
 
|-
  
−
| C6H11N2O3 || 159 || 1 || [[MassBank:KOX00138|Citrulline]]&nbsp;  
+
| C6H11N2O3 || 159 || 1 || [[MassBank:KOX00138|C013]]&nbsp;  
 
|-
 
|-
  
−
| C18H27N2O2 || 303 || 1 || [[MassBank:KOX00895|Verapamil]]&nbsp;  
+
| C18H27N2O2 || 303 || 1 || [[MassBank:KOX00895|V021]]&nbsp;  
 
|-
 
|-
  
−
| C3H9O10P2 || 267 || 1 || [[MassBank:KOX00185|2,3-Diphosphoglycerate]]&nbsp;  
+
| C3H9O10P2 || 267 || 1 || [[MassBank:KOX00185|D017]]&nbsp;  
 
|-
 
|-
  
−
| C4H8NO2 || 102 || 27 || [[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;[[MassBank:KOX00051|N-Acetylmethionine]]&nbsp;[[MassBank:KOX00167|Canavanine]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00259|D-Glu]]&nbsp;[[MassBank:KOX00268|L-Gln]]&nbsp;[[MassBank:KOX00270|L-Glu]]&nbsp;[[MassBank:KOX00281|Glu-Glu]]&nbsp;[[MassBank:KOX00406|Met]]&nbsp;[[MassBank:KOX00454|Methionine sulfoximine]]&nbsp;[[MassBank:KOX00476|L-5-Oxoproline]]&nbsp;[[MassBank:KOX00529|D-5-Oxoproline]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00586|Thr]]&nbsp;[[MassBank:KOX00593|allo-threonine]]&nbsp;[[MassBank:KOX00636|S-Adenosylmethionine]]&nbsp;[[MassBank:KOX00668|Amikacin]]&nbsp;[[MassBank:KOX00682|Betonicine]]&nbsp;[[MassBank:KOX00702|2,4-Diaminobutyrate]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00729|Ethionine]]&nbsp;[[MassBank:KOX00733|D-Gln]]&nbsp;[[MassBank:KOX00743|Homoserine]]&nbsp;[[MassBank:KOX00778|a-Methylserine]]&nbsp;[[MassBank:KOX00905|4-Amino-3-hydroxybutyrate]]&nbsp;  
+
| C4H8NO2 || 102 || 27 || [[MassBank:KOX00022|A031]]&nbsp;[[MassBank:KOX00051|A065]]&nbsp;[[MassBank:KOX00167|C094]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00259|G005]]&nbsp;[[MassBank:KOX00268|G018]]&nbsp;[[MassBank:KOX00270|G019]]&nbsp;[[MassBank:KOX00281|G043]]&nbsp;[[MassBank:KOX00406|M003]]&nbsp;[[MassBank:KOX00454|M114]]&nbsp;[[MassBank:KOX00476|O008]]&nbsp;[[MassBank:KOX00529|P092]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00586|T010]]&nbsp;[[MassBank:KOX00593|T020]]&nbsp;[[MassBank:KOX00636|A020]]&nbsp;[[MassBank:KOX00668|A239]]&nbsp;[[MassBank:KOX00682|B090]]&nbsp;[[MassBank:KOX00702|D038]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00729|E056]]&nbsp;[[MassBank:KOX00733|G006]]&nbsp;[[MassBank:KOX00743|H003]]&nbsp;[[MassBank:KOX00778|M025]]&nbsp;[[MassBank:KOX00905|A204]]&nbsp;  
 
|-
 
|-
  
−
| C11H10NO2 || 188 || 4 || [[MassBank:KOX00539|Phosphoramidon]]&nbsp;[[MassBank:KOX00582|Trp]]&nbsp;[[MassBank:KOX00658|Allocryptopine]]&nbsp;[[MassBank:KOX00836|Protopine]]&nbsp;  
+
| C11H10NO2 || 188 || 4 || [[MassBank:KOX00539|P122]]&nbsp;[[MassBank:KOX00582|T003]]&nbsp;[[MassBank:KOX00658|A137]]&nbsp;[[MassBank:KOX00836|P070]]&nbsp;  
 
|-
 
|-
  
−
| C6H12NO3S || 178 || 2 || [[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00646|Alliin]]&nbsp;  
+
| C6H12NO3S || 178 || 2 || [[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00646|A064]]&nbsp;  
 
|-
 
|-
  
−
| C3H6NO2 || 88 || 11 || [[MassBank:KOX00012|Asn]]&nbsp;[[MassBank:KOX00014|Asp]]&nbsp;[[MassBank:KOX00029|Argininosuccinate]]&nbsp;[[MassBank:KOX00140|Cysteine sulfinate]]&nbsp;[[MassBank:KOX00251|Formiminoaspartate]]&nbsp;[[MassBank:KOX00554|Ser]]&nbsp;[[MassBank:KOX00628|Xanthurenate]]&nbsp;[[MassBank:KOX00646|Alliin]]&nbsp;[[MassBank:KOX00688|Carbachol]]&nbsp;[[MassBank:KOX00701|2,3-Diaminopropionate]]&nbsp;[[MassBank:KOX00833|O-Phosphoserine]]&nbsp;  
+
| C3H6NO2 || 88 || 11 || [[MassBank:KOX00012|A016]]&nbsp;[[MassBank:KOX00014|A017]]&nbsp;[[MassBank:KOX00029|A039]]&nbsp;[[MassBank:KOX00140|C015]]&nbsp;[[MassBank:KOX00251|F025]]&nbsp;[[MassBank:KOX00554|S002]]&nbsp;[[MassBank:KOX00628|X004]]&nbsp;[[MassBank:KOX00646|A064]]&nbsp;[[MassBank:KOX00688|C044]]&nbsp;[[MassBank:KOX00701|D037]]&nbsp;[[MassBank:KOX00833|P060]]&nbsp;  
 
|-
 
|-
  
−
| C5H9N2O4 || 161 || 1 || [[MassBank:KOX00251|Formiminoaspartate]]&nbsp;  
+
| C5H9N2O4 || 161 || 1 || [[MassBank:KOX00251|F025]]&nbsp;  
 
|-
 
|-
  
−
| C17H17FN3O2 || 314 || 1 || [[MassBank:KOX00692|Ciprofloxacin]]&nbsp;  
+
| C17H17FN3O2 || 314 || 1 || [[MassBank:KOX00692|C133]]&nbsp;  
 
|-
 
|-
  
−
| C5H7O4 || 131 || 3 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;[[MassBank:KOX00270|L-Glu]]&nbsp;[[MassBank:KOX00712|Dimethyl malate]]&nbsp;  
+
| C5H7O4 || 131 || 3 || [[MassBank:KOX00048|A059]]&nbsp;[[MassBank:KOX00270|G019]]&nbsp;[[MassBank:KOX00712|D083]]&nbsp;  
 
|-
 
|-
  
−
| C9H14NOS || 184 || 1 || [[MassBank:KOX00126|Biotin]]&nbsp;  
+
| C9H14NOS || 184 || 1 || [[MassBank:KOX00126|B020]]&nbsp;  
 
|-
 
|-
  
−
| C6H7O3 || 127 || 5 || [[MassBank:KOX00241|Fructose 1,6-diphosphate]]&nbsp;[[MassBank:KOX00272|Glucose 1-phosphate]]&nbsp;[[MassBank:KOX00447|Mannose 1-phosphate]]&nbsp;[[MassBank:KOX00611|Trehalose 6-phosphate]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;  
+
| C6H7O3 || 127 || 5 || [[MassBank:KOX00241|F008]]&nbsp;[[MassBank:KOX00272|G020]]&nbsp;[[MassBank:KOX00447|M080]]&nbsp;[[MassBank:KOX00611|T065]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;  
 
|-
 
|-
  
−
| C12H9N2 || 181 || 1 || [[MassBank:KOX00832|o-Phenanthroline]]&nbsp;  
+
| C12H9N2 || 181 || 1 || [[MassBank:KOX00832|P057]]&nbsp;  
 
|-
 
|-
  
−
| C11H14NO6 || 256 || 1 || [[MassBank:KOX00016|N-Acetylneuraminate]]&nbsp;  
+
| C11H14NO6 || 256 || 1 || [[MassBank:KOX00016|A018]]&nbsp;  
 
|-
 
|-
  
−
| C9H6O2 || 146 || 1 || [[MassBank:KOX00385|3-Iodotyrosine]]&nbsp;  
+
| C9H6O2 || 146 || 1 || [[MassBank:KOX00385|I050]]&nbsp;  
 
|-
 
|-
  
−
| C2H7N2O || 75 || 1 || [[MassBank:KOX00904|Acetohydrazide]]&nbsp;  
+
| C2H7N2O || 75 || 1 || [[MassBank:KOX00904|A166]]&nbsp;  
 
|-
 
|-
  
−
| C12H13N2O2S || 249 || 1 || [[MassBank:KOX00107|4-Aminophenylsulfone]]&nbsp;  
+
| C12H13N2O2S || 249 || 1 || [[MassBank:KOX00107|A220]]&nbsp;  
 
|-
 
|-
  
−
| C12H12N5 || 226 || 1 || [[MassBank:KOX00120|6-Benzylaminopurine]]&nbsp;  
+
| C12H12N5 || 226 || 1 || [[MassBank:KOX00120|B015]]&nbsp;  
 
|-
 
|-
  
−
| C6H12N3 || 126 || 4 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00347|Homoarginine]]&nbsp;[[MassBank:KOX00791|L-3-Methylhistidine]]&nbsp;[[MassBank:KOX00911|1-Methylhistamine]]&nbsp;  
+
| C6H12N3 || 126 || 4 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00347|H073]]&nbsp;[[MassBank:KOX00791|M076]]&nbsp;[[MassBank:KOX00911|M022]]&nbsp;  
 
|-
 
|-
  
−
| C3H3O2 || 71 || 3 || [[MassBank:KOX00048|S-Carboxymethylcysteine]]&nbsp;[[MassBank:KOX00233|E-64]]&nbsp;[[MassBank:KOX00712|Dimethyl malate]]&nbsp;  
+
| C3H3O2 || 71 || 3 || [[MassBank:KOX00048|A059]]&nbsp;[[MassBank:KOX00233|E015]]&nbsp;[[MassBank:KOX00712|D083]]&nbsp;  
 
|-
 
|-
  
−
| C8H10N || 120 || 10 || [[MassBank:KOX00053|N-Acetylphenylalanine]]&nbsp;[[MassBank:KOX00122|Bestatin]]&nbsp;[[MassBank:KOX00236|Epinephrine]]&nbsp;[[MassBank:KOX00485|Phe]]&nbsp;[[MassBank:KOX00635|Z-Gly-Pro]]&nbsp;[[MassBank:KOX00647|Anabasine]]&nbsp;[[MassBank:KOX00713|5,6-Dimethylbenzimidazol]]&nbsp;[[MassBank:KOX00800|Metyrapone]]&nbsp;[[MassBank:KOX00811|Nicotine]]&nbsp;[[MassBank:KOX00857|Phenoxybenzamine]]&nbsp;  
+
| C8H10N || 120 || 10 || [[MassBank:KOX00053|A067]]&nbsp;[[MassBank:KOX00122|B018]]&nbsp;[[MassBank:KOX00236|E033]]&nbsp;[[MassBank:KOX00485|P002]]&nbsp;[[MassBank:KOX00635|Z003]]&nbsp;[[MassBank:KOX00647|A068]]&nbsp;[[MassBank:KOX00713|D087]]&nbsp;[[MassBank:KOX00800|M111]]&nbsp;[[MassBank:KOX00811|N016]]&nbsp;[[MassBank:KOX00857|P206]]&nbsp;  
 
|-
 
|-
  
−
| C4H3O3 || 99 || 1 || [[MassBank:KOX00251|Formiminoaspartate]]&nbsp;  
+
| C4H3O3 || 99 || 1 || [[MassBank:KOX00251|F025]]&nbsp;  
 
|-
 
|-
  
−
| C10H14N3O3 || 224 || 2 || [[MassBank:KOX00086|Anserine]]&nbsp;[[MassBank:KOX00313|Homocarnosine]]&nbsp;  
+
| C10H14N3O3 || 224 || 2 || [[MassBank:KOX00086|A140]]&nbsp;[[MassBank:KOX00313|H013]]&nbsp;  
 
|-
 
|-
  
−
| C7H9O2 || 125 || 2 || [[MassBank:KOX00814|Noradrenaline]]&nbsp;[[MassBank:KOX00892|Terbutaline]]&nbsp;  
+
| C7H9O2 || 125 || 2 || [[MassBank:KOX00814|N028]]&nbsp;[[MassBank:KOX00892|T126]]&nbsp;  
 
|-
 
|-
  
−
| C12H19N4O2 || 251 || 1 || [[MassBank:KOX00124|Blasticidin S]]&nbsp;  
+
| C12H19N4O2 || 251 || 1 || [[MassBank:KOX00124|B019]]&nbsp;  
 
|-
 
|-
  
−
| C4H6NO || 84 || 34 || [[MassBank:KOX00022|N-Acetylglutamate]]&nbsp;[[MassBank:KOX00067|N-Acetylglucosamine 1-phosphate]]&nbsp;[[MassBank:KOX00102|N-Acetylmuramate]]&nbsp;[[MassBank:KOX00225|N-Ethylglutamine]]&nbsp;[[MassBank:KOX00254|N-Formylmethionine]]&nbsp;[[MassBank:KOX00259|D-Glu]]&nbsp;[[MassBank:KOX00268|L-Gln]]&nbsp;[[MassBank:KOX00270|L-Glu]]&nbsp;[[MassBank:KOX00281|Glu-Glu]]&nbsp;[[MassBank:KOX00290|N-Glycolylneuraminate]]&nbsp;[[MassBank:KOX00292|Galactosamine 1-phosphate]]&nbsp;[[MassBank:KOX00306|TRH]]&nbsp;[[MassBank:KOX00401|S-Lactoylglutathione]]&nbsp;[[MassBank:KOX00454|Methionine sulfoximine]]&nbsp;[[MassBank:KOX00476|L-5-Oxoproline]]&nbsp;[[MassBank:KOX00529|D-5-Oxoproline]]&nbsp;[[MassBank:KOX00547|Ribostamycin]]&nbsp;[[MassBank:KOX00586|Thr]]&nbsp;[[MassBank:KOX00588|Thymidine]]&nbsp;[[MassBank:KOX00590|Thymine]]&nbsp;[[MassBank:KOX00593|allo-threonine]]&nbsp;[[MassBank:KOX00702|2,4-Diaminobutyrate]]&nbsp;[[MassBank:KOX00705|2-Deoxystreptamine]]&nbsp;[[MassBank:KOX00721|Dyphylline]]&nbsp;[[MassBank:KOX00729|Ethionine]]&nbsp;[[MassBank:KOX00733|D-Gln]]&nbsp;[[MassBank:KOX00736|Glucosamine 6-phosphate]]&nbsp;[[MassBank:KOX00739|Galactosamine]]&nbsp;[[MassBank:KOX00740|Glucosamine]]&nbsp;[[MassBank:KOX00778|a-Methylserine]]&nbsp;[[MassBank:KOX00794|Mannosamine]]&nbsp;[[MassBank:KOX00795|Muramate]]&nbsp;[[MassBank:KOX00868|Specitinomycin]]&nbsp;[[MassBank:KOX00905|4-Amino-3-hydroxybutyrate]]&nbsp;  
+
| C4H6NO || 84 || 34 || [[MassBank:KOX00022|A031]]&nbsp;[[MassBank:KOX00067|A122]]&nbsp;[[MassBank:KOX00102|A191]]&nbsp;[[MassBank:KOX00225|E005]]&nbsp;[[MassBank:KOX00254|F034]]&nbsp;[[MassBank:KOX00259|G005]]&nbsp;[[MassBank:KOX00268|G018]]&nbsp;[[MassBank:KOX00270|G019]]&nbsp;[[MassBank:KOX00281|G043]]&nbsp;[[MassBank:KOX00290|G062]]&nbsp;[[MassBank:KOX00292|G065]]&nbsp;[[MassBank:KOX00306|G117]]&nbsp;[[MassBank:KOX00401|L016]]&nbsp;[[MassBank:KOX00454|M114]]&nbsp;[[MassBank:KOX00476|O008]]&nbsp;[[MassBank:KOX00529|P092]]&nbsp;[[MassBank:KOX00547|R016]]&nbsp;[[MassBank:KOX00586|T010]]&nbsp;[[MassBank:KOX00588|T014]]&nbsp;[[MassBank:KOX00590|T015]]&nbsp;[[MassBank:KOX00593|T020]]&nbsp;[[MassBank:KOX00702|D038]]&nbsp;[[MassBank:KOX00705|D061]]&nbsp;[[MassBank:KOX00721|D183]]&nbsp;[[MassBank:KOX00729|E056]]&nbsp;[[MassBank:KOX00733|G006]]&nbsp;[[MassBank:KOX00736|G021]]&nbsp;[[MassBank:KOX00739|G046]]&nbsp;[[MassBank:KOX00740|G051]]&nbsp;[[MassBank:KOX00778|M025]]&nbsp;[[MassBank:KOX00794|M081]]&nbsp;[[MassBank:KOX00795|M082]]&nbsp;[[MassBank:KOX00868|S044]]&nbsp;[[MassBank:KOX00905|A204]]&nbsp;  
 
|-
 
|-
  
−
| C5H8N3O || 126 || 1 || [[MassBank:KOX00779|5-Methylcytosine]]&nbsp;  
+
| C5H8N3O || 126 || 1 || [[MassBank:KOX00779|M029]]&nbsp;  
  
 
|}
 
|}

Revision as of 16:15, 9 June 2009

General Index
(総索引) 		All Molecules
(分子リスト) 		Ion Frequency Table
(イオン統計) 		Prec.-Product Table
(前駆-生成イオン統計) 		Neutral Loss Table
(中性脱離分子統計) 		How To
ページの書き方
formula mass frequency pages
C14H26N3O5 316 1 E015 
C11H14NO2 192 2 B026 T041 
C2H5N4 85 3 A045 B010 M032 
C7H14NO2 144 4 B018 A103 A143 B026 
C2H8O9P 207 1 D017 
C17H12O 232 1 A137 
C12H14N4O 230 1 T033 
CH6N3O 76 2 C094 S034 
C11H12N3OS 234 1 A082 
C4H7N 69 2 P048 H097 
C5H7ClN5O 188 1 A225 
C2H5S 61 8 A059 A065 C208 F034 M003 A170 D067 T058 
C13H14NO2 216 1 M053 
C9H16NO4 202 1 P032 
C7H10N3 136 1 A093 
C9H14N3O4 228 2 A039 D055 
C8H9O2 137 5 D046 D185 E013 M169 T032 
C9H15N4O2S 243 1 T098 
C9H17N4O 197 1 A140 
C5H5N4 121 6 F014 M042 M043 P036 P049 P081 
C2H6NOS 92 2 C127 H017 
C10H19N2O3 215 1 D075 
C8H14NO2 156 3 A145 E015 S040 
C11H16NO7 274 1 A018 
C5H12NO2 118 6 A135 A189 H064 N009 V001 B047 
C11H10 142 1 N018 
C11H9N2O 185 1 H027 
C8H13O3 157 1 S013 
C11H14NO7 272 1 G062 
C6H6N4 134 1 M104 
C5H13NO3P 166 3 P122 G069 P074 
C2H3N2O 71 1 C033 
C26H46NO8S2 564 1 T072 
C18H23NOCl 269 1 P206 
C13H10NO5S 292 1 B093 
C7H3Cl2O 173 1 T108 
C7H5N2O 133 1 D166 
C8H9N2O2 165 1 C057 
C10H17N4O3 241 2 A140 H013 
C16H23N3O4P 352 1 P122 
C4H4N4 108 3 M074 M030 M110 
C6H7N 93 44 A010 A042 A043 A130 A220 B007 D166 E012 G101 H027 H139 N012 P014 P053 T003 T054 A035 A068 A069 A123 B011 C172 D039 D044 D180 K005 M063 M066 M101 M111 M142 M172 N016 P035 P036 P056 P079 P190 S016 S041 T028 T031 T060 N044 
C14H13N2S 241 1 M047 
C11H20NO9 310 1 A018 
C4H9NO 87 1 B044 
C16H18NO4 288 1 M159 
C6H15NO8P 260 2 G065 G021 
C5H7N2O2 127 3 T014 T015 I014 
C4H5S 85 1 M013 
C5H11N3O3P 192 1 P105 
C14H10Cl2NO 278 1 D128 
C19H22N3O2 324 1 P209 
CH4N 30 2 G011 D103 
C6H5N2O 121 3 I066 P068 U011 
C13H13Cl2N2 267 1 M142 
C12H21O10 325 1 T065 
C9H7Cl2N2 213 1 C191 
C16H34N 240 1 D078 
C14H16NO3 246 1 A197 
C5H11O 87 1 O009 
C11H13N2O2 205 1 T003 
C7H12N3O3 186 1 P039 
C6H7N2O2 139 2 N012 U011 
C8H17NO9P 302 1 A122 
C4H6N3S 128 1 C208 
C12H12N2O 200 1 H027 
C5H4NO2 110 2 T014 T015 
C12H11N2 183 4 D166 H029 A123 M111 
C13H9N2O 209 1 D166 
C16H23O3 263 1 G075 
C7H6 90 4 I022 M078 N016 N044 
C7H14NO3 160 1 B090 
C8H12N5O3 226 1 A071 
C7H8N2 120 1 P056 
C7H7N3O2 165 1 C028 
C4H9O2 89 7 H064 D061 D083 F013 G046 G051 M081 
C8H12N3O3 198 3 A073 C012 D183 
C11H8NO 170 4 C057 P122 T003 T054 
C26H46NO7S 516 1 T043 
C11H16N5O3S 298 2 A020 D067 
C7H6NO4 168 1 P094 
C12H21N4O 237 1 L006 
C4H4NO2 98 3 P032 E008 M115 
C17H16NO2 266 1 B093 
C5H11N2O3 147 2 G018 G006 
C6H6N5O2 180 1 X012 
C10H8N5 198 1 F014 
C13H20NO7 302 1 S044 
C8H8N2 132 1 D087 
C20H33N6O12S2 613 1 G008 
C7H11O 111 1 S013 
C3H5O 57 12 C119 S049 T010 T020 A046 A143 A194 D183 M025 S044 U006 G030 
C6H5N4O 149 2 M042 M043 
C15H18NO 228 2 B018 S040 
C15H25N4O5 341 1 E015 
C11H8N2 168 1 H029 
C11H19O3 199 1 G075 
C2H3N2 55 31 A071 A133 A136 A237 C034 C208 E015 G015 G032 H014 H073 M035 M042 M043 M074 M104 O009 Z002 A104 A225 B026 D082 D183 G039 I063 M030 M032 M051 M110 V020 X012 
C5H10N3O3 160 1 C094 
C9H15N4O3 227 1 C012 
C23H35N3O10P 544 1 P122 
C15H10N 204 1 P071 
C17H17N2O 265 1 M156 
C9H14NO3 184 2 E033 P032 
C9H13N3O8P 322 1 A133 
C7H11N2OS 171 1 P055 
C13H21O2 209 2 G050 T043 
C6H5O 93 9 D128 H027 T003 A114 C047 K005 N063 P079 S041 
C5H6NO4 144 1 E015 
C6H5ClN 126 1 D051 
C19H11NO4 317 1 S042 
C5H6N4 122 2 P036 T027 
C5H10N3O4 176 1 A039 
C11H7N2 167 1 M037 
C4H6NOS 116 1 L016 
C6H10N3O3 172 1 M033 
C3H3N2 67 25 A007 A071 A136 A237 C119 D055 F014 H014 M035 M042 M043 M054 M074 M104 Z002 C028 D067 D069 D082 M030 M110 M124 P049 P081 T027 
C18H16N5O3 350 1 P191 
C8H9NO 135 3 I050 P059 S058 
C7H8O 108 1 I050 
C5H7N2O4 159 1 A039 
C15H26N5O9S2 484 1 G008 
C9H11O 135 2 T041 V021 
C6H15N4O2 175 2 O009 P105 
C9H15N4 179 1 A140 
C5H5O 81 5 B019 F008 F014 R041 G021 
C2H3ClN3 104 1 A203 
C4H6NO4 132 1 E015 
CH3N2O 59 2 H104 S034 
C3H7N2S 103 1 C208 
C26H38NO3 412 1 G050 
C11H13N2 173 1 B026 
C17H12NO3 278 1 P071 
C17H16N3O2 294 1 C133 
C13H15N4O 243 1 D166 
C2H6O5P 141 5 D017 P007 P029 P028 P082 
C10H13 133 2 G075 D039 
C9H8Cl 151 1 B013 
C15H21N2O5 309 1 P075 
C5H11NO3 133 1 G061 
C5H3N4O 135 6 A071 D057 G015 G088 P157 X012 
C17H14N5O3 336 1 P191 
C9H11N3O7P 304 1 A133 
C4H5N2 81 39 A073 A093 A140 A237 C012 C077 D055 D131 H002 H013 M035 M042 M074 P075 T014 T015 T029 T056 T057 A068 C028 D183 H025 H058 H069 I014 I053 M029 M030 M033 M076 M077 M126 P098 T027 T033 X012 M022 P042 
C10H11ClNO 196 1 B013 
C2H4NOS 90 1 T004 
C10H8NO4 206 1 X004 
C4H7N2S 115 1 M126 
C18H27O3 291 1 G075 
C8H10NO4 184 1 P079 
C9H12Cl 155 1 P206 
C2H6N2O 74 1 A140 
C9H8 116 2 B013 K005 
C17H25N3O6P 398 1 P122 
C3H3O 55 12 A110 A138 C015 C127 D173 G015 G062 I025 O008 P092 A052 M169 
C10H14N5O5 284 1 G015 
C6H8NO3 142 2 B019 C013 
C4H4N3S 126 2 M054 M104 
C9H18N3O2 200 1 A127 
CH4O3P 95 3 A235 D017 P082 
C13H17 173 1 G075 
C9H11 119 1 G075 
C12H13 157 2 G075 T043 
C4H11O3 107 3 D061 G051 M081 
C10H11N2O 175 1 I030 
C6H13O11P2 323 1 F008 
C9H16N3O5 246 1 A039 
C7H10NO4 172 1 A031 
C10H15N2 163 2 A068 N016 
OPS 79 1 D113 
C13H15ClN 220 1 K005 
C5H8NO3 130 11 A031 E005 F034 G005 G018 G019 G043 O008 P092 G006 G008 
CH3ClN 64 1 A225 
C30H45O3 453 2 G057 G075 
C3H5NO 71 1 C015 
C13H22N5O4 312 1 B019 
C14H25N2O3 269 1 L006 
C10H10N3O2 204 2 G117 P191 
C7H11O3 143 1 B090 
C10H13N2O5 241 1 G043 
C7H10F3 151 1 F016 
C18H14NO3 292 1 P071 
C6H11O4 147 2 S049 M011 
C8H6NO2 148 2 I019 P079 
C3H3N3 81 2 M104 M030 
C8H13OS2 189 1 L031 
C6H10NO4 160 1 P075 
C10H9NO 159 5 H027 M040 M053 A137 M103 
C9H13Cl 156 1 P206 
C10H9ClN 178 1 B013 
C6H6ClN6O 213 1 A225 
C16H16NO 238 1 L047 
C10H6O2 158 1 N018 
C5H5N2 93 7 A073 C012 H002 H013 I066 U011 D183 
C5H13N2O2 133 5 A032 A039 O003 O005 A155 
C9H7NO 145 1 M078 
O2P 63 8 A056 D113 D141 P007 P029 P028 P082 G030 
C6H5N4 133 3 M074 M030 M110 
C13H12NO 198 2 B093 H027 
C10H13N4O 205 1 H013 
C6H6NO2S 156 3 A220 S079 S016 
C12H19N4O7P2S 425 1 C077 
C10H7N2O2 187 1 N067 
C6H11 83 4 A196 S013 B090 C114 
C9H9O5 197 2 A018 G062 
C11H10N 156 2 B093 E034 
C6H13O6 181 1 T065 
C11H11NO2 189 1 P070 
C18H34N 264 1 P067 
C2H9O9P2 239 1 D017 
C10H13O 149 2 G075 D185 
C7H8NO3 154 1 M159 
C6H15N2O3 163 3 H064 R016 D061 
C11H16N2O2 208 1 N063 
C3H10N3 88 1 M032 
C11H10N3 184 2 M037 C172 
C3H3ClN3 116 1 A225 
C12H11N2O2 215 1 N067 
C6H13N2O2 145 4 H064 R016 D061 D030 
C8H20N 130 1 O007 
C12H18Cl 197 1 P206 
C5H9S 101 1 L031 
C5H11 71 2 I039 O007 
C8H9INO 262 1 I050 
C11H18NO3 212 1 M169 
C6H12O8P 243 4 G003 M080 T065 G021 
C10H11N4O2 219 1 D183 
C9H6IO2 273 1 I050 
C9H16NO7 250 1 A018 
C7H15N2O3 175 2 A032 E005 
C3H9N 59 5 B044 B047 C220 D075 T051 
C9H12N3O3 210 2 A039 C012 
C7H13N2O2 157 2 A032 E005 
C6H10N3 124 3 A140 H069 M077 
C7H8NO2 138 10 A010 A043 A122 A191 P014 B011 H050 P079 P191 T060 
C5H10N2 98 3 R041 A069 T122 
C4H7O3S 135 1 A059 
C11H23N2O 199 1 L007 
C10H11N4 187 1 T033 
C11H18NO9 308 1 G062 
C14H14O2 214 1 N018 
C9H7I2O3 417 1 D056 
C12H11N2O 199 1 H027 
C9H9NO 147 2 E007 M169 
C23H36N3O10P 545 1 P122 
C6H16N3O 146 1 L027 
C9H8NO3 178 1 X004 
C14H16N3O3 274 1 P039 
C5H10N3 112 4 A093 B019 H058 H112 
C14H16N5O7 366 1 A037 
C8H8NO2 150 2 P014 K004 
C8H11N2O 151 1 P113 
C17H18NO5S 348 1 B093 
C2H5N2O 73 1 P157 
C3H7NO2 89 1 C015 
C4H6N4 110 1 T033 
C13H16NO2 218 1 V021 
C4H6N2O 98 1 M033 
C14H19N2O3 263 2 Z003 A197 
C5H4ClN4O 171 1 A225 
CH6O9P 193 1 D017 
C16H9O 217 1 A137 
C5H9N 83 1 T024 
C6H11S 115 1 A064 
C11H23N4O 227 1 E015 
C10H18NO5S 264 1 A020 
C15H16NO2 242 1 M089 
C8H15N2O5S 251 1 L016 
C4H11N4O 131 1 C094 
C9H8NO2 162 1 H050 
C2H6NO2S 108 2 C015 T004 
C5H5N2O 109 4 T014 T015 I014 M029 
C2H4N3O 86 2 A196 G039 
C9H20N3O3 218 1 A127 
C8H15N2O2 171 2 A127 G071 
C17H23N3O5P 380 1 P122 
C5H9O2S 133 3 A065 F034 M003 
C6H5 77 106 A010 A043 A050 A053 A067 A110 A130 B007 B015 B018 B020 D046 D051 D166 E012 E033 H029 H139 I015 I019 I022 I025 I030 I038 M037 M040 M053 M078 M127 N018 P002 P014 P033 P053 P059 P113 S013 T002 T003 T054 T112 X004 A035 A036 A054 A061 A064 A080 B004 B009 B011 B013 B026 C172 D032 D039 D061 D087 D178 D180 D185 E013 F016 G041 H045 I063 I067 K004 K005 L027 L031 M039 M066 M082 M101 M142 M150 M167 M169 M172 N016 N028 N067 O007 P036 P047 P054 P057 P061 P079 Q001 Q008 S040 S041 S058 T008 T024 T028 T030 T031 T032 T060 T126 D030 A155 N044 
C5H7N2O3 143 1 F025 
C8H5O 117 1 C063 
C8H14N2O3P 217 1 P113 
C2H9N3O3P 154 1 P084 
C21H15O6 363 1 D106 
C4H4 52 5 I017 I051 M063 M172 T060 
C2H8NO2S 110 1 H017 
C5H10NO3 132 5 A138 G061 H048 A052 H004 
C4H5N2O 97 5 A196 B020 F025 G039 P098 
C4H12O4P 155 1 D141 
C5H4NO3 126 1 M159 
C11H18NO8 292 1 A018 
C2H8NO3S 126 3 T004 T043 T072 
C9H8IO3 291 1 I050 
C17H18N3O5S 376 1 P039 
C5H5 65 85 A010 A042 A043 A050 A130 A220 B007 B015 B072 C040 D046 D057 D166 E012 E033 F034 G101 H029 H139 I019 I025 M003 M037 M127 N012 P002 P014 P053 P059 P113 S013 S079 T002 T054 U011 X004 Z003 A061 A068 A114 B011 B013 C047 C170 C172 D032 D044 D087 D122 D178 D180 D185 E008 E013 K004 M013 M039 M063 M066 M071 M101 M150 M167 M172 N016 N028 P035 P047 P056 P061 P079 P183 P190 Q001 S016 S041 S058 T008 T028 T030 T031 T032 T044 T060 N044 
C8H7O3 151 2 A018 G062 
C7H14N 112 5 A111 A112 P054 S003 S011 
C14H11INO2 352 1 T040 
C5H4N4S 152 1 M104 
C5H11N4S 159 1 C208 
C2H3O 43 1 A060 
C8H6NO 132 2 X004 K004 
C20H31N6O11S2 595 1 G008 
C9H15N2O2 183 1 A127 
C24H48NO7 462 1 P067 
C11H16NO8 290 1 G062 
C6H16NO3 150 1 T022 
C13H12N3 210 1 C172 
C5H7O4S 163 1 A059 
C6H4Cl 111 1 T112 
C6H15N2O2 147 3 A127 L004 C044 
C15H9N 203 1 S042 
C8H7 103 28 A067 B018 I022 I025 I030 I038 M040 M078 P002 T054 A080 A137 D039 D178 D180 E007 G041 H045 I067 M101 M167 N016 P047 Q008 S040 T008 T030 T031 
C6H4NO 106 8 N004 P094 F013 I051 N001 P045 P099 D030 
C30H47O4 471 2 G057 G075 
C8H15N2O3 187 1 B026 
C8H7N4 159 2 G101 Z002 
C10H9 129 1 N018 
C4H6N3O 112 4 C033 C119 D055 Z001 
C8H7O2 135 8 C063 E033 A137 N028 P070 T041 T126 V021 
C13H8N 178 1 D128 
C4H8NO2S 134 2 A059 C047 
C26H40NO4 430 1 G050 
C11H23N2O7 295 1 R016 
C8H11N2O2 167 1 G043 
CH6O3P 97 1 A056 
C7H4NO3 150 2 B072 P094 
C13H15N2O 215 1 H027 
C13H12N 182 1 A123 
C8H12N5 178 1 M035 
C9H7 115 18 B018 H027 H029 I025 I030 M040 M053 N018 T003 T054 B013 K005 M101 M103 M167 M169 S041 T031 
C7H9N4O2 181 4 A237 T029 D183 T027 
C14H9 177 1 S042 
C5H4NO 94 3 H015 P094 P079 
C6H9O2S 145 1 D067 
C7H14NO3S 192 1 A065 
C7H7N4 147 1 M035 
C5H6N3O 124 6 A237 M042 M043 T029 D183 P098 
C6H15O12P2 341 1 F008 
C14H12NO 210 1 M099 
C10H13N2O4 225 1 H050 
C6H10NO3 144 13 A031 A065 A110 A122 A191 G065 M067 R016 G021 G046 G051 M081 M082 
C7H12NO5 190 1 A031 
C5H9N2O3S 177 1 G008 
C8H16NO3 174 1 A145 
C20H37N6O3 409 1 L006 
C20H17FO2S 340 1 S054 
C6H7 79 30 A053 A067 B020 C063 E012 E033 M127 P002 P113 A035 A061 B009 B090 D032 D039 D178 D180 E013 L031 M039 M082 M167 N028 P047 P061 S040 T041 T060 T126 A082 
C14H11NO 209 1 M089 
C13H19N2O 219 1 M103 
C4H4NO 82 3 D173 T015 M029 
C5H9O4 133 4 A007 C119 M051 U006 
C3H9N2O2 105 3 F025 G037 D037 
C2H2F2N 78 1 H097 
C4H8NO3 118 1 C094 
C2H6O3P 109 1 A056 
C3H4N2 68 3 M035 M124 T033 
C26H44NO6 466 1 G050 
C19H14O3 290 1 A137 
C6H7O2 111 3 I015 S049 M011 
C10H10ClO2 197 1 B013 
C6H13N2O3 161 2 D173 A155 
C10H19N4O6 291 1 A039 
C5H11OS 119 1 E056 
C11H18NO7 276 1 A191 
C10H10N2O9P 333 1 O015 
C5H4Cl 99 2 T112 K005 
C4H12N5 130 1 M032 
C27H30NO10 528 1 D106 
C7H7 91 57 A067 B015 B018 B020 C040 D046 E033 E034 H027 H139 I025 M040 M053 M127 N018 P002 P059 S013 T002 T003 T054 Z003 A061 A068 A080 A137 A226 B013 C172 D039 D087 D122 D185 E013 F016 G041 H045 K004 L031 M071 M101 M103 M167 M169 M172 P061 P070 P206 Q001 S058 T008 T024 T030 T031 T032 T044 D030 
C10H10N5O 216 1 F014 
C13H10ClN 215 1 D128 
C12H10NO 184 1 B093 
C13H23N4O3S 315 1 R041 
C6H9O4 145 5 G020 M080 A143 G046 G051 
C7H18N5O 188 1 B019 
C7H7N2O3S 199 1 B072 
C7H9ClNO 158 1 B013 
C9H16N3O4 230 1 O009 
C8H10NO3 168 3 A122 A191 P014 
C20H39N6O4 427 1 L006 
C14H10NO 208 1 M089 
C10H13N4O3 237 1 D183 
C6H12NO7P2S 304 1 C077 
CH5O9P2 223 1 D017 
C4H5 53 32 A010 A042 A135 B019 C013 F008 F014 G065 G101 M037 N004 O003 P003 P014 B010 C114 D178 D180 G021 H097 I017 I051 M013 M039 M063 N001 N016 N067 P041 P183 S016 N044 
C20H17O4 321 1 A137 
C23H25N2O7 441 1 M159 
C7H9O4 157 2 A191 G043 
C11H14ClO 197 1 T112 
C4H7N4 111 1 T033 
C12H13N4O3 261 1 T033 
C3H4N2S 100 1 M126 
C15H23N2O2 263 1 B018 
C11H12N 158 1 I025 
C4H7O2 87 7 A002 A048 F025 G032 A060 A194 C220 
C2H5N2 57 4 A045 C208 M110 A166 
CH3OS 63 2 H017 M114 
C11H12NO2 190 2 A067 P061 
CHCl2 83 1 C057 
C5H10N3O 128 3 A196 G032 V020 
C11H8N 154 1 P057 
C11H14NO3 208 1 A067 
C4H13N2 89 1 B001 
C3H5 41 2 I064 P042 
C10H15 135 2 G075 A061 
C6H16N4O5P 255 1 P105 
C5H13NO3PS 198 1 A170 
C18H37N4O11 485 1 A239 
C3H7N4 99 1 C208 
C9H16N5O 210 1 M035 
C13H10N 180 4 D128 E034 M089 M142 
C7H7O2 123 5 E033 P113 T002 M169 N028 
C7H12NO3 158 3 A032 E005 S044 
C10H12NO 162 4 A067 E007 M169 P061 
C4H9N2S 117 1 C208 
C9H8NO3S 210 1 P068 
C9H17O6 221 1 A191 
C2H4O4P 123 5 D017 P007 P029 P028 P082 
C4H3N2 79 3 M043 M074 P098 
C26H44NO6S 498 1 T043 
C3H9NO6P 186 1 P060 
C10H9Cl2N2O3 275 1 C057 
CH5N2O 61 1 U005 
C4H10N 72 25 A032 A039 A135 A189 E015 N009 O009 V001 A051 A069 A104 A111 A112 B001 B026 I063 L057 O005 O016 P105 P190 P192 S003 S011 H024 
C14H16N3 226 1 C172 
C10H13N2O3 209 1 K004 
C6H11O5 163 5 M080 D083 G046 G051 M081 
C8H12NO3 170 4 P053 B026 N028 T126 
C6H10O7P 225 6 F008 G003 G020 M080 T065 M011 
C6H11N4O2 171 1 V020 
C4H8N2O5P 195 1 P084 
C13H16NO5 266 1 S044 
C7H10N3O 152 3 A073 C012 D183 
C9H9S 149 1 B020 
C6H7N4S 167 1 M104 
C7H13S2 161 1 L031 
C10H11N4O4 251 2 A007 D057 
C6H13O 101 1 G051 
C5H14NO 104 3 C044 G069 P074 
CH4ClN2 79 1 A203 
C10H13N2OS 209 1 B020 
C10H14N5O4 268 2 A007 D057 
C14H28N5O4 330 1 E015 
C11H14N 160 1 M071 
C4H3OS 99 1 A059 
C12H8N3 194 1 M037 
C2HN2 53 2 M043 X012 
C5H10O3 118 1 G003 
C8H10NO 136 7 A130 L007 T002 A226 C043 K004 T032 
C5H7O2 99 2 T014 M110 
C8H12NO2 154 3 D046 C043 D185 
C15H10I3O4 635 1 T040 
C8H9S 137 1 L031 
C8H10N3O 164 2 C012 P068 
C9H7N2S 175 1 T028 
C6H14NO 116 2 O016 P192 
C4H6N2 82 6 A073 H002 H058 H069 I053 M033 
C12H24O14P 423 1 T065 
C13H10Cl2N 250 1 D128 
C12H7NS 197 1 M047 
C8H16N3O2 186 1 A103 
C10H6NO2 172 1 H050 
C9H14N3O 180 2 A140 H013 
C3H7O3 91 1 M080 
C16H10N5O3 320 1 P191 
C7H10NO 124 2 P032 P053 
C9H20N3 170 1 A112 
C8H11S2 171 1 L031 
C7H12NO2 142 3 O009 P032 B026 
C15H22N3O2 276 1 E007 
C9H10N3O 176 1 G117 
C9H10N3O4 224 1 A133 
C17H27N8O5 423 1 B019 
C26H40NO4S 462 1 T043 
CH2NO2 60 1 H104 
C3H10N 60 9 A048 T020 A060 A143 C041 C044 C220 G069 P074 
C8H14NO3 172 3 B018 E015 C043 
C14H18NO3 248 1 B026 
C26H46NO5S 484 1 T072 
CH3O2S 79 1 T004 
C10H17N6S 253 1 C208 
C18H11O3 275 2 A137 P070 
C5H10O7P 213 1 O015 
C4H3N2O 95 5 C033 C119 D055 Z001 U006 
C17H24NO3 290 2 A080 H045 
C2H5NO2P 106 1 A131 
C17H19N4O5 359 1 P039 
C10H12N5O3 250 2 A007 A020 
C2H6S 62 1 T058 
C5H13N4O3 177 1 C094 
C7H5N2O3 165 1 G088 
C5H8NO3S 162 1 L016 
C10H22N3O5 264 1 A239 
C7H6N 104 31 E033 H139 I030 I038 M037 P014 P053 T054 X004 A035 A068 A123 B004 D087 K004 M101 M111 M142 M169 M172 N016 N067 P057 P079 Q008 S041 T008 T028 T030 T031 N044 
C5H6NO 96 26 A122 A191 B019 C013 G061 G065 P094 R016 A052 F013 G021 G046 G051 H004 H021 I017 I051 M063 M081 M082 M111 N001 P045 P079 P099 T060 
C3H6NO3S 136 1 C015 
C5H7O3 115 3 A007 G018 G006 
C9H8N3S 190 1 S079 
C8H16N5O 198 1 A196 
C3H3N2O 83 2 A237 A103 
C9H12NO2 166 4 A067 E033 P002 B011 
C9H8N 130 23 E034 H027 I022 I025 I030 I038 M037 M040 M053 M078 T003 T054 A068 G041 I067 M101 M103 M172 N016 Q008 S041 T031 N044 
C9H10N 132 6 T003 T054 N016 S041 T030 N044 
C10H10NOS 192 1 B020 
C2HClN 74 1 A225 
C12H12NO 186 1 I025 
C10H10NO2 176 2 I038 T041 
C8H16NO4 190 2 B018 C043 
C9H14NO4 200 1 E015 
C8H6N 116 4 M127 A035 A036 A123 
C5H12NO2S 150 4 A065 F034 M003 A020 
C8H11N2S 167 1 E012 
C2H6NS 76 1 L016 
C9H12NO5 214 1 A018 
C8H8N 118 38 A067 C057 E033 E034 H027 H139 I025 I050 M040 M053 P002 P059 P075 T002 T003 T054 A068 A069 A123 A137 B013 C043 D039 E007 K004 M101 M103 M169 M172 N016 P070 Q001 S041 S058 T030 T031 T032 N044 
C4H7 55 57 A053 A135 A189 A196 B020 E015 G003 G032 G050 H064 H073 I015 I022 L003 L004 M035 M078 N009 N018 O009 P048 S013 V001 Z002 A051 A061 A112 A203 A225 B001 B010 B026 B090 C114 D078 D082 D183 E008 F016 G021 H097 I039 I063 L027 L031 L057 M011 M039 M110 M115 O005 P035 P054 P206 S003 V020 D030 
C11H16N3O3S 270 1 R041 
C4H4O 68 1 M115 
C6H10N 96 2 A053 P054 
C9H10I2NO3 434 1 D056 
C6H5NS 123 1 M150 
C6H8O6P 207 3 F008 G003 T065 
C2H2N 40 1 P049 
C17H27O2 263 1 G050 
C9H6N 128 5 H139 I030 I038 G041 Q001 
C3H4O3 88 1 P029 
C29H43O 407 1 G075 
C10H23N4 199 1 I063 
C7H6NO 120 14 A010 A043 B072 I019 I050 X004 B011 H050 K004 P079 P190 P191 P209 T060 
C4H9 57 18 D128 G020 G117 L016 N018 P113 T112 V001 Z002 B010 D038 D061 F013 G046 O007 P157 T126 I064 
C8H11N4O2 195 1 C028 
C7H8N 106 25 E012 I050 M040 M053 M127 P014 P053 P113 T054 A035 A036 A068 D032 D178 D180 M101 M103 M111 M172 N016 P061 P206 S041 T031 N044 
C5H7 67 47 A018 A050 A053 A122 A127 A174 B020 C119 D055 G062 G065 H064 H073 L004 M035 N014 P014 P032 P048 P055 Z002 A061 A068 A080 A170 C032 C043 C114 D075 D078 F016 G021 H045 I063 K005 L027 L031 M033 M039 M169 O007 P034 P054 S040 T024 T061 V021 
C2H8O3PS 143 1 D113 
C7H12N3O 154 2 A093 B019 
C7H10N 108 3 C172 M066 T024 
C17H36N 254 1 D078 
C5H3N2O 107 2 M043 P098 
C6H14N3O 144 1 H073 
H2O2PS 97 1 D113 
C7H5N2 117 3 A042 G101 C170 
C8H4NO 130 2 I019 P079 
C8H8NS2 182 1 M150 
C7H3ClN 136 1 C191 
C6H6NO 108 5 A220 B093 S079 G021 S016 
C5H9 69 24 A053 A138 A145 E015 F025 F034 G071 I008 L003 N014 P067 S013 T112 A061 B090 C032 D178 I063 L057 P034 P206 P209 T108 A155 
C3H5S2 105 1 L031 
CH6NO 48 1 G011 
C14H17N2O2 245 1 E007 
C6H8N 94 38 A010 A043 A130 A220 C040 D166 E033 G101 H027 H029 H139 M037 P014 P053 A054 A068 A069 A123 B009 B011 C172 D032 D039 D087 D180 K004 K005 M063 M111 M150 M172 N016 N063 P079 S044 T060 T122 N044 
C5H10NO 100 6 A135 H064 A111 A112 D122 M024 
C3H8NO 74 11 B018 G018 M003 T010 T020 A046 A194 H003 M025 P192 T098 
C10H8Cl2N2O2 258 1 C057 
C10H9O 145 1 P192 
C4H7S 87 3 A065 F034 M003 
C8H21NO6P 258 1 G069 
C3H6N 56 77 A031 A050 A065 A073 A093 A110 A127 A135 A174 C012 C094 E005 E011 E033 F034 G005 G018 G019 G032 G043 H002 H013 H064 H073 I008 L004 M003 M035 M114 O008 P048 P059 P092 T010 T015 T020 V001 A020 A046 A069 A194 B044 B047 C028 C043 C044 D033 D036 D038 D087 E007 E056 G006 H003 H058 I053 I063 L027 M025 M029 M077 M124 M126 M169 P034 P046 P074 P192 T022 T024 T027 T061 T098 T122 D030 A204 M022 
C6H10N3O2 156 4 A073 C012 H002 H013 
C9H16NO 154 1 P054 
C5H7NS 113 2 T056 M013 
C8H8N2O2SCl 196 1 D051 
C9H13N2 149 2 A069 N044 
C10H13N4O4 253 1 P081 
C9H7IO3 290 1 D056 
C11H12NO6 254 1 G062 
C4H8NO 86 18 A002 A138 A191 C013 D064 G032 G065 H048 I015 R016 A052 A194 D106 G046 G051 H004 M082 T098 
C16H18N 224 1 E034 
C21H17O8 397 1 D064 
C6H8O4P 175 1 P033 
C5H7S 99 3 T056 T057 M013 
C4H6N 68 27 A050 A065 A073 A093 A140 C012 C013 D131 E011 H002 H013 H027 H048 P003 P048 R016 A052 A194 D033 H004 H058 H069 I017 M076 M077 T061 M022 
C22H30N7O5 472 1 P075 
C18H28N5O10S2 538 1 G008 
C8H5 101 2 P057 Q001 
HO2S 65 2 H017 T004 
C11H13N4 201 1 T033 
C18H40NO2 302 1 D078 
C2H6O4P 125 2 G069 P074 
C4H8N 70 33 A032 A039 A110 C013 G037 G117 I008 L007 M067 O003 O009 P003 P055 Z003 A036 A069 A103 A112 B026 B040 D033 G021 H003 H097 O005 P046 P054 P074 P105 T021 T022 T122 N044 
C35H62NO12 688 1 O016 
C12H14N3O 216 1 A069 
C21H17O7 381 1 D106 
C15H10I2O4 508 1 T040 
CH5N3O3P 138 1 P084 
C6H12NO 114 5 A053 O009 A051 A112 T022 
C5H6N 80 32 A042 A220 B072 D057 E012 G101 I050 N004 P053 P094 R016 S079 A068 B026 D180 G021 G046 H050 H097 I017 I051 M013 M063 N001 N016 P035 P041 P079 P183 S016 M022 N044 
C8H8N3O2 178 1 P183 
C4H7N4O 127 2 A133 A136 
C10H11O3 179 2 M169 T032 
C4H9N2O 101 2 F025 D038 
C7H11S 127 1 L031 
C3H10O6P 173 1 G030 
C7H5 89 25 C063 E033 H027 H029 I022 I025 I030 I038 M037 M040 M053 M078 T003 T054 A035 A036 D178 D180 K005 M101 M103 N016 S041 T031 N044 
C6H12NO4 162 7 A110 G065 M067 A239 G046 G051 M081 
C9H18N 140 1 I063 
C4H10N3O2 132 2 C008 G039 
C3H11N2 75 3 A170 B040 D035 
C12H22N5O2 268 1 B019 
C3H2N 52 35 A042 A140 A237 B007 C033 G101 H015 M074 M104 N004 P094 U011 C089 E008 F013 F048 H021 H025 H069 I014 M030 M110 M124 M172 N001 P036 P045 P049 P057 P079 P081 P095 P098 P099 Q001 
C10H9N4 185 1 Z002 
C8H5N3OS 191 1 A082 
C8H9N4 161 1 T033 
C11H19N2O5 259 1 R016 
C8H6N3OS 192 1 A082 
C7H12NO2S 174 1 A065 
C3H8N 58 42 A048 A087 A240 B072 D131 H048 H064 I008 N009 A052 A060 A069 A111 A112 A170 A224 B040 B044 B047 B090 C032 C041 C044 C220 D035 D036 D075 H004 H112 I011 I063 L034 M099 M103 P074 P192 S003 S011 T024 T051 V021 H024 
C7H13N2O3 173 1 D030 
C9H19N4O4 247 1 O009 
C14H11I3NO2 606 1 T040 
C6H8N5O 166 2 M042 M043 
C4H7ClN3 132 1 A203 
C16H17N2O4S 333 1 P039 
C7H15N2O4 191 1 D030 
C7H7S 123 1 B020 
C3H2N3 80 1 X012 
C11H16N5O4 282 1 M051 
C6H6N 92 33 A010 A042 A043 A220 B007 B072 D166 E012 G101 I019 N012 S079 U011 A068 A114 B011 C170 D032 D044 H050 K004 M063 M066 P035 P036 P047 P056 P079 P183 P190 S016 T028 T060 
C14H15O3 231 1 N018 
C18H36NO 282 1 P067 
CH2NS 60 1 P055 
C4H2N3O 108 1 X012 
C6H3N4O2 163 1 X012 
C5H9N2O 113 3 C013 B026 T098 
C9H10O2 150 1 V021 
C9H10Cl2N3 230 1 C191 
C20H18FO3S 357 1 S054 
C5H10N3O2 144 1 R041 
C20H18NO4 336 3 A137 P070 P071 
C5H8NO2S 146 1 F034 
C10H17N2O2 197 1 D075 
C12H14N 172 1 E034 
C10H19N2 167 1 L006 
C6H13N4 141 3 L006 B010 H112 
C12H21N4O2 253 1 V020 
C4H2NO2 96 1 U006 
C23H23N2O6 423 1 M159 
C6H6O2 110 1 T126 
C2H8N 46 2 D103 I064 
C12H20NO3 226 1 T126 
C5H4ClS 131 1 T123 
C15H10O4 254 1 T040 
C16H14Cl3N2OS 387 1 T123 
C16H11O2 235 1 P070 
C11H11N2 171 2 H027 A123 
C3H9S 77 1 T058 
C14H9F3N 248 1 T122 
C10H6NO3 188 1 X004 
C4H9O3 105 2 P122 A194 
C7H7N2O 135 2 A140 B072 
C14H9F3NS 280 1 T122 
C7H12N3O2 170 4 A140 D183 M076 M077 
C9H19N2O 171 2 A111 A112 
C13H9ClN 214 2 D128 M142 
C7H9N2O2 153 2 A140 M076 
C14H11I2NO2 479 1 T040 
C6H9N2O 125 2 H069 M076 
C12H27N4O6 323 1 R016 
C7H4Cl 123 1 T108 
C7H17N2 129 4 A111 A112 S003 S011 
C8H9NO2 151 1 E033 
C21H13O6 361 1 D064 
C2H2N3 68 3 A203 B010 M032 
C7H5Cl2 159 1 T108 
C12H13Cl2O2 259 1 T108 
C15H18N3O2Cl2 272 1 T108 
C42H63O16 823 1 G057 
C9H16N4O8P 339 1 A133 
C6H9N4 137 4 A237 M035 D183 T027 
C4H6N3OS 144 1 T098 
C6H10N3OS 172 1 T098 
C8H17N4O2 201 1 O009 
C11H19N2O 195 1 L006 
C6H10N3O2S 188 1 T098 
C4H4N3 94 27 A007 A071 A237 C033 C119 D055 F014 H014 M035 M042 M043 M054 M074 M104 P075 Z001 Z002 D067 D069 D082 D183 M030 M051 M110 P049 P081 T027 
C6H5OS 125 1 R041 
C16H18N3O 268 1 C133 
C4H6N2O4P 177 1 P084 
C6H12NO3 146 2 H064 D061 
C5H3N4 119 13 A007 A037 F014 H014 M054 M074 M104 Z002 D067 D069 D082 M051 M110 
C9H14N3O3S 244 1 T098 
C9H17N4O3S 261 1 T098 
C5H5N 79 7 I066 N004 I017 I051 M063 M111 N001 
C6H19N4 147 1 T021 
C13H25N4O3S 317 1 T098 
C12H13N2O3 233 1 N067 
C14H23N2O 235 1 L034 
C6H12N 98 8 O009 B040 D075 I063 O016 P192 T024 T061 
C5H2N3S 136 1 M054 
C5H13N4 129 1 B019 
CH3S 47 1 T058 
C9H9NO2 163 1 S042 
C8H17N2 141 1 T122 
C9H9O2 149 4 A067 P002 A137 P070 
C13H20N3O4 282 1 P183 
C10H18N 152 1 A061 
C10H13O2 165 2 T041 V021 
C20H22NO4 340 1 T041 
C21H26NO4 356 1 T041 
C6H14O9P 261 4 G003 G020 M080 T065 
C11H11N4O 215 1 T033 
C5H10NO2S 148 1 L016 
C4H4N3O 110 9 A071 A133 A136 D057 G015 G088 H014 M042 P157 
C12H13N4O 229 1 T033 
C12H13N4O2 245 1 T033 
C3H10NO 76 3 D075 I011 T051 
C3H5N2S 101 1 S079 
C6H4F 95 1 F048 
C7H11 95 4 G075 D078 F016 M039 
C14H19N4O3 291 1 T033 
C6H7NS 125 1 E012 
C10H13N2 161 2 T030 T031 
C9H8N3 158 1 T028 
C16H18NO 240 1 B093 
C15H12NO 222 1 M156 
C6H7N4 135 1 T027 
C7H7N4O 163 1 T027 
C8H10N3O2 180 3 A073 C012 D183 
C14H22N3O3 280 1 A226 
C12H10O 170 1 N018 
C5H12N 86 23 A053 A145 B018 E015 G071 I008 L003 L006 L007 N014 P032 P122 T112 A060 B040 C032 C044 G069 L034 L057 P034 P074 P192 
C10H17N2O3S 245 1 B020 
C7H5NS2 167 1 M150 
C4H10N3S 132 1 C208 
C12H14NO2 204 1 I025 
C17H11NO2 261 1 S042 
C18H13FS 280 1 S054 
C10H14N5O 220 1 Z002 
C19H16FO2 295 1 S054 
C11H15N2O2 207 1 A226 
C15H14N3O4S 332 1 P068 
C10H9Cl2NO 229 1 C057 
C8H10O2 138 1 M169 
C14H25N2O7 333 1 S044 
C6H11O2S 147 1 E056 
C3H7O2 75 2 S042 G030 
C9H22N3O 188 1 A112 
C11H16NO2 194 1 M169 
C10H10NO 160 3 M078 E007 S041 
C16H12N 218 1 S042 
C6H10NO 112 5 A032 P055 C043 L027 S044 
C17H12NO 246 1 S042 
C17H10F 233 1 S054 
C18H12NO2 274 1 S042 
C4H12NO3 122 1 A194 
C11H22N3O 212 1 L006 
C19H12NO3 302 1 S042 
C11H14N3O 204 1 T054 
C3H9O3 93 2 A131 D057 
C4H12N 74 5 B010 B044 D122 H024 I064 
C9H10N3O2 192 2 C012 C170 
C5H7N3 109 1 P036 
C9H14N3O3 212 2 A140 Z001 
C20H14NO4 332 1 S042 
C9H8N5O3 234 1 A037 
C7H12N 110 1 S040 
C2H6N 44 9 A011 A015 S014 T004 E023 M034 T021 T030 A155 
C10H27N4 203 1 S011 
C12H10N 168 3 C040 I025 M142 
C20H23N2O2 323 1 M156 
C29H34N2O2Cl 442 1 L047 
C28H50NO9 544 1 O016 
C11H15N2 175 2 G041 M101 
C13H9N 179 1 D128 
C9H13N2O4 213 1 G043 
C11H20N3O 210 1 E015 
C7H8N5 162 1 A037 
C10H8NO2 174 1 K004 
C17H22NO4 304 1 S040 
C15H13NO4I3 271 1 T040 
C12H13N2 185 1 C172 
C8H9O3 153 1 N028 
C2H5O3S 109 1 T004 
C6H9N2O2S 173 1 S016 
C6H10NOS 144 2 T056 M013 
C8H12NO 138 2 S040 T008 
C2H5N 43 1 T051 
C4H7N2 83 20 A073 A093 A140 C012 D131 E011 G117 H002 H013 C028 E007 H058 H069 I053 M029 M076 M077 M124 P084 T027 
C9H11N2O 163 1 P209 
C12H14NO 188 1 P209 
C7H13 97 1 B090 
C8H6F3 159 1 F016 
C12H17N2O 205 1 P209 
C19H19N2O2 307 1 P209 
C19H25N4O2 341 1 P209 
C6H6N5 148 4 A037 B015 F014 Z002 
C3H7O 59 10 A048 A135 B018 F025 F034 G061 M127 A224 I011 A155 
C6H9ClN7O 230 1 A225 
C8H14NO 140 2 D075 T061 
C8H15 111 1 P206 
C2H7NO3P 124 1 A131 
C11H9N4 197 1 P036 
C12H19Cl 198 1 P206 
C5H8N 82 17 A135 A140 H064 P067 A069 A080 A197 C043 H045 M024 N016 P054 S040 T024 T061 D030 M022 
C11H9O 157 1 P192 
C13H9 165 1 P192 
C7H14N3S 172 1 C208 
C14H23N2O5 299 1 E015 
C9H9N2O2 177 1 P191 
C11H11N4O2 231 1 P191 
C12H15N4O2 247 1 P191 
C15H10N5O2 292 1 P191 
C19H20N5O3 366 1 P191 
C6H5S 109 1 M150 
C14H12Cl2NO2 296 1 D128 
C5H9O2 101 8 A135 A189 N009 O003 V001 A064 O005 A155 
C9H12NO 150 6 B018 P059 P075 M167 N063 S058 
C6H3ClN 124 1 C191 
C13H21N2O2 237 1 P190 
C5H11N2O3S2 211 1 G008 
C3H7N2 71 6 F025 A044 A203 H112 M032 V020 
C6H13 85 1 H024 
C13H10NO 196 1 B093 
C8H10N3O4 212 1 P183 
C15H16NO3 258 1 T044 
C9H16N3O 182 1 P177 
C11H19N4O2 239 1 P177 
C12H14ClO2 225 1 T112 
C5H6N5 136 8 A007 A037 F014 Z002 A020 D067 D069 D082 
C9H15N4O 195 1 P157 
C6H13F2N2O2 183 1 H097 
C15H14NO 224 1 M089 
C7H16NO3 162 2 A143 C041 
CH7N3O3P 140 1 P105 
C6H11N3O4P 220 1 P105 
C5H7O 83 3 A135 A189 U011 
C6H11N2O4S 207 1 C047 
C14H14FN2O 245 1 C133 
C9H8NO 146 5 H139 T003 E007 K004 Q001 
C6H13N3O5P 238 1 P105 
CH7NO3P 112 1 A235 
C11H11N2O 187 3 P122 T054 A069 
C5H8N5 138 1 A203 
C3H4N3 82 7 A136 C208 G015 H014 M074 M030 M051 
C8H12NOS 170 1 R041 
C4H11N2 87 4 A032 B040 P046 T021 
CH4N2O3P 123 2 P084 P105 
C7H4NS2 166 1 M150 
C6H9O3 129 5 F034 S049 A064 M011 A155 
C4H10NS 104 3 A065 F034 M003 
C4H10NOS 120 1 F034 
C2H4N2 56 2 M032 M033 
C5H12N3O2 146 1 G032 
C9H7N2O 159 1 N067 
C5H11N2O2S 163 1 M114 
CH2O2P 77 1 P082 
C15H10NO 220 1 P071 
C16H11NO 233 1 P071 
C16H12NO 234 1 P071 
C16H12NO2 250 1 P071 
C17H14NO2 264 1 P071 
C18H16NO3 294 1 P071 
C19H18NO3 308 2 P071 T041 
CH2S 46 1 T058 
C20H19NO4 337 1 P071 
C5H6NS 112 1 M013 
C9H12NS 166 1 B020 
C9H10N5O4 252 1 A037 
CH3N2 43 1 P049 
C7H12N3 138 1 D131 
C11H11Cl2N2O4 305 1 C057 
C7H15N2O 143 3 A174 G071 A112 
C19H14NO3 304 1 S042 
C6H8N5 150 5 M035 M074 M030 M051 M110 
C11H16Cl 183 1 P206 
C8H9 105 12 S013 D039 D178 D180 F016 M082 M167 M169 P047 S041 T041 V021 
C11H22N 168 1 M039 
C8H16NO2 158 1 O016 
C2H4N3 70 1 B010 
C21H23FN3S 368 1 T122 
C3H4N5 110 1 A203 
C6H4NO2 122 3 H015 P094 P079 
C7H12NO 126 1 A174 
C8H13 109 2 G075 D078 
C6H7N2O 123 3 I051 N001 P099 
C19H14NO4 320 1 P071 
C3H8NO3 106 1 S002 
C4H4N2 80 1 P036 
C14H8 176 1 S042 
C9H11O2 151 2 M167 V021 
C14H9NO 207 1 M156 
C8H8INO 261 1 D056 
C14H15N2 211 1 M156 
C15H13N2 221 1 M156 
C24H35 323 1 T072 
C13H19 175 1 G075 
C10H8N3S 202 1 T028 
C16H17N2 237 1 M156 
C4H9N2O3 133 2 A016 G037 
C6H12NOS 146 1 A065 
C19H23N2O2 311 1 M156 
C21H28N3O2 354 1 M156 
C7H11N2O2 155 1 H073 
C7H8NO 122 5 M037 P014 B009 B026 S044 
C5H4N3 106 2 M074 M104 
C6H5N 91 2 M150 P183 
C21H19O9 415 1 D064 
C7H10NO2 140 2 A032 S044 
C9H9 117 1 E034 
C5H4S 96 1 M150 
C6H4S 108 1 M150 
C10H10N 144 9 E034 H027 I025 T003 T054 A123 C172 M101 T031 
C6H14N 100 4 A196 C114 M099 P190 
C18H18N5O4 368 1 P191 
C27H30NO11 544 1 D064 
C7H5NS 135 1 M150 
C6H4S2 140 1 M150 
C7H7ClN 140 1 M142 
C4H6FO2 105 1 H097 
C13H11N2 195 1 M142 
C13H12ClN2 231 1 M142 
C16H31N4O8 407 1 A239 
C4H3O 67 1 M115 
C3H4NO2 86 1 M115 
C7H6N2 118 2 C172 T028 
C21H15O7 379 1 D064 
C23H28N5O7S 518 1 P039 
C4H4ClN4 143 1 A225 
C8H11N 121 2 M111 P206 
C14H15N2O 227 1 M111 
C11H16N5O3 266 1 M110 
C17H18NOS 284 1 M099 
C10H10NO4 208 1 H050 
C5H12N3O 130 1 O009 
C18H18NOS 296 1 M099 
C5H6N5O 152 6 A071 D057 G015 G088 P157 X012 
C8H8NO 134 9 D056 I050 M127 P053 P113 H050 M167 N028 S058 
C12H15N4O3 263 1 G117 
C4H2N3 92 8 A007 H014 M054 M074 M104 Z002 C028 M030 
C4H3N3O 109 2 A237 M042 
C6H10NO2 128 5 H064 I015 A197 D061 D030 
C6H9 81 6 C040 G075 A061 D078 E013 M039 
C5H11N4O2 159 1 C094 
C9H14NO5 216 1 M082 
C8H12N 122 7 A196 D032 D039 D178 D180 M082 P047 
C9H16NO6 234 1 M082 
C9H18NO7 252 1 M082 
C9H13N2O 165 1 A127 
C11H13N4O4 265 1 M051 
C16H20N3O4S 350 1 A197 
C13H9N2S 225 1 M047 
C6H9N2O3 157 1 I053 
H4O3PS 115 1 D113 
C14H12N2S 240 1 M047 
C14H10N3S 252 1 M047 
C15H14N3S 268 1 M047 
C16H18N3S 284 1 M047 
C6H14N3O3 176 1 C013 
C11H12N5 214 1 P036 
C12H16N 174 1 M034 
C16H19O9 355 1 C063 
C4H5N3O 111 1 M033 
C10H19N4O6S2 355 1 G008 
C4H6N3O2 128 1 M033 
C5H10NO2 116 12 A032 A039 A110 C013 M067 O003 O009 P003 Z003 B026 O005 P105 
C15H23N6O5S 399 1 A020 
C11H13 145 2 T065 A197 
C4H11N3O5P 212 1 P084 
C6H9O 97 3 A053 L003 L057 
C5H8NO 98 17 A065 A110 A122 A191 B019 G065 M067 M159 R016 B026 C043 G021 G046 G051 M081 M082 S044 
C4H9N4 113 1 M032 
C10H17N2O7 277 1 G043 
C5H7N4 123 3 M030 M110 T033 
C8H6N5O 188 1 A037 
C7H9 93 10 A067 B018 G075 P002 A061 A080 H045 L031 T008 T024 
C2H2O3P 105 2 P007 P082 
C4H5N 67 7 A093 H064 H058 H097 M063 P056 M022 
C5H6N3 108 3 M029 P036 T027 
C3H5ClN5 146 1 A203 
C7H4Cl2N 172 1 C191 
C17H21N2O5S 365 1 B093 
C6H7N2 107 7 A042 B072 D166 G101 D183 H069 M077 
C10H17 137 1 M039 
C9H14N5O4 256 1 G088 
C20H20NO5 354 1 P070 
C11H15N2O 191 3 M040 M053 A226 
C4H12O7P 203 1 M011 
C6H14O8P 245 1 M011 
C10H13N4O2 221 1 G117 
C6H9O3S 161 1 A064 
C6H16N 102 1 H024 
C8H16NOS2 206 1 L031 
C10H8Cl 163 1 K005 
C11H12Cl 179 1 K005 
C16H20N5O4 346 1 G117 
C4H10NO2 104 7 A002 A048 A087 A240 G032 A194 D036 
C16H22NO2 260 4 A080 H045 P192 V021 
C12H12ClO 207 1 K005 
C15H19N2O5 307 1 Z003 
C7H9O 109 4 P059 D185 E013 N028 
C13H17ClNO 238 1 K005 
C3H6N5O 128 1 A196 
C6H8NO 110 6 I066 A114 D061 H050 P079 T060 
C8H15O4 175 1 S013 
C16H20NO3 274 1 S040 
C5H12NS 118 2 A170 E056 
C10H10NO3 192 1 K004 
C3H5N 55 3 D033 H058 I053 
C5H14N 88 1 I039 
C5H10N3O2S 176 1 R041 
C10H11N2O2S 223 1 B072 
C4H8N3O2 130 1 R041 
C6H4Cl2N 160 1 C191 
C5H12O6P 199 1 G069 
C5H7N2 95 18 A073 A093 A140 C012 C208 D131 H002 H013 M035 P068 U011 B026 H058 H069 I051 M076 M077 P105 
C8H9ClN 154 1 B013 
C12H12N 170 1 D044 
C4H8N3 98 1 H112 
CH2NO 44 3 H104 S034 U005 
CH5N2O2 77 1 H104 
CHF2 51 1 H097 
C7H14NO 128 2 A145 L006 
C17H22NO3 288 1 E034 
C4H6F 73 1 H097 
C21H24NO5 370 1 A137 
C6H6O3P 157 1 P033 
C16H20N3O4 318 1 A226 
C10H13ClNO2 214 1 B013 
C5H8F2N 120 1 H097 
C6H11F2N2O 165 1 H097 
C6H10F2NO2 166 1 H097 
C6H12N3O 142 1 H069 
C8H8NO3 166 3 H050 P079 T044 
C7H4NO3S 182 1 B072 
C4H9O 73 7 A053 G037 M003 O003 Z002 L057 O005 
C9H10NO3 180 1 H050 
C10H8NO3 190 1 H050 
C5H15NO4P 184 2 G069 P074 
C2H6NO2 76 5 G011 G037 G050 G062 D037 
C6H14NO5 180 3 G046 G051 M081 
C7H5Cl2N2 187 1 C191 
C2H6N3 72 1 G039 
C4H10O7P 201 1 G021 
C6H9NO5P 206 1 G021 
C8H5O3 149 1 L016 
C2H9N2 61 1 D173 
C7H9N 107 4 E012 D032 D178 D180 
C6H14NO6 196 1 G061 
C14H21 189 1 G075 
C12H12N3 198 1 C172 
C10H15N4O4 255 1 D183 
C6H11NO6P 224 1 G021 
C12H15N2O2 219 4 A226 B026 E007 P061 
C12H10N3O 212 1 M037 
C6H13NO7P 242 1 G021 
C14H12N 194 2 M089 M156 
C6H7FN 112 1 F048 
C8H11N2O4S 231 1 G008 
C10H15N2O 179 1 D075 
C16H23N6O4 363 1 G117 
C7H11N2O3S2 235 1 G008 
C12H17N4OS 265 1 T056 
C7H15N4O 171 1 B019 
C8H7O 119 15 D046 E033 L007 T002 A137 A226 D185 E013 P070 Q001 S058 T032 T041 T044 V021 
C15H24N5O8S2 466 1 G008 
C4H3 51 72 A010 A043 A050 A130 B007 D046 D166 E012 E033 H015 H029 H139 I019 I022 I030 I038 M127 N004 N018 P002 P033 P053 P059 T002 X004 A036 A054 A061 A224 B004 B009 B011 B013 C089 C172 D032 D087 D178 D180 E013 F013 G041 H021 H112 I017 I051 I067 M063 M066 M071 M101 M167 M172 N001 N016 N028 P041 P045 P047 P056 P057 P079 P099 Q001 Q008 S041 S058 T008 T031 T060 D030 N044 
C13H13N4O2 257 1 T033 
C18H36N 266 1 D078 
C5H15N2S 135 1 A170 
C15H28N5O5 358 1 E015 
C12H17F3N 232 1 F016 
C10H14NO2 180 1 F013 
C5H13S 105 1 E056 
C6H14NO2S 164 1 E056 
C7H8N4O2 180 1 C028 
C8H8O2 136 1 I050 
C2H7N 45 1 E025 
C8H9N 119 1 C057 
C2H10N2 62 1 E025 
C3HO 53 1 E008 
C7H10N3O2S 200 1 T098 
C11H14NO 176 1 E007 
C10H16NO 166 1 D185 
C18H24NO3 302 1 D185 
C7H8N3O 150 1 D166 
C24H31 319 1 T043 
H2O3P 81 19 A056 A131 D017 D113 D141 G003 M080 P007 P029 S049 G021 G069 M011 P028 P060 P074 P082 P084 G030 
C8H17N2O3 189 3 A174 G071 S044 
C6H11N2 111 1 A069 
C6H6 78 1 D180 
C6H8NS 126 4 C077 T056 T057 M013 
C4H6N3 96 6 A237 T029 A203 D183 M030 T027 
C8H11 107 4 A061 M169 T041 V021 
C10H13N2O3S 241 1 B072 
C12H18NO 192 1 D122 
C2H8N3 74 1 B019 
C21H19O8 399 1 D106 
C6H11N2O2 143 5 D173 E011 P039 D183 A155 
C5H11O2 103 2 G061 P032 
C9H11N2 147 2 D087 M172 
C18H38NO 284 1 D078 
C9H10NO2 164 2 P190 P191 
C3H7S 75 2 D067 E056 
C24H46NO6 444 1 P067 
C2H7N2 59 2 D173 D037 
C9H12N 134 4 A226 D039 E007 P061 
C6H11O3S 163 1 D067 
C4H9N2 85 2 H112 V020 
C9H9N 131 5 H027 M040 M053 M103 T041 
C9H5O2 145 2 C063 H050 
C8H10N5 176 1 G101 
C10H16N 150 1 D039 
C4H11N2O2 119 1 D038 
C2H8NO 62 2 D033 E023 
C3H7O9P2 249 1 D017 
C5H6 66 5 A054 D044 M066 P056 T060 
C8H12NO4 186 2 A122 A191 
C10H14N5O3 252 2 D069 D082 
C6H3Cl2 145 1 C191 
C9H9ClN3 194 1 C191 
C8H14NO5 204 1 A122 
C6H14NO2 132 8 A053 A145 G071 I008 L003 N014 L057 T022 
C11H13O2 177 1 V021 
C11H21O4 217 1 G075 
C12H17 161 1 G075 
C8H6N3O 160 1 C170 
C11H10FN2O 205 1 C133 
C15H10IO4 381 1 T040 
C3H8N3 86 3 C034 C008 I063 
C4H2NO 80 1 E008 
C2H4O2P 91 1 A056 
C16H19FN3O 288 1 C133 
C10H10N5O2 232 1 A007 
C17H19FN3O3 332 1 C133 
C8H10NO2 152 5 M127 P053 H050 N028 T126 
C3H6NS 88 2 C047 M126 
C11H9Cl2NO 241 1 C057 
C4H5N2O2 113 2 G071 U006 
C13H22N3O8S 380 1 L016 
C10H15N2O5 243 1 T014 
C7H15N2O4S 223 1 C047 
C9H10N5 188 1 F014 
C5H12NO4 150 1 G061 
C2H5O 45 2 C044 E023 
C4H9N 71 3 C044 G069 P074 
C9H14NO6 232 2 A018 G062 
C5H15N2 103 1 C032 
C18H12O2 260 1 A137 
C7H11N2O 139 1 A032 
C9H15N2OS 199 1 B020 
C5H12NO 102 2 B044 C041 
C3H4O5P 151 2 D017 P007 
C6H18N3 132 1 B040 
C5H7FN 100 1 H097 
C14H19N2O2 247 1 B026 
C10H13N2O 177 2 A069 S041 
C13H16N3O3 262 1 B026 
C7H7O 107 20 C063 D046 D056 E033 I050 P059 T002 A137 D185 E007 M167 M169 N028 P070 S058 T032 T033 T041 T126 V021 
C14H21N2O3 265 1 B026 
C9H10N3O2S2 256 1 S079 
C15H23N4O3 307 1 B026 
C29H45O2 425 1 G075 
C7H6Cl 125 2 B013 K005 
C10H8O 144 1 B013 
C10H8ClO 179 1 B013 
C5H4N 78 41 A043 E012 H015 H027 I066 M037 N004 P014 P053 P068 P094 P113 A052 A068 A123 C089 C170 D032 F013 H021 H058 H112 I017 I051 M063 M066 M111 M172 N001 N016 N067 P045 P056 P057 P079 P099 Q001 Q008 T060 D030 N044 
C5H14N3 116 1 B010 
C6H16N5 158 1 B010 
C7H9N2 121 1 B004 
C12H24N3O6 306 1 A239 
C4H8NO4 134 2 A017 A039 
C7H7N2 119 3 B007 P056 P183 
C11H12N3O 202 1 A069 
C12H13N2O 201 1 B026 
C8H8N5O2 206 1 A037 
C14H28N3O8 366 1 A239 
C16H33N4O9 425 1 A239 
C17H18NO3 284 1 B093 
C17H20NO2 270 1 E034 
C18H35N4O10 467 1 A239 
C9H15O5 203 1 A191 
C3H5O2 73 9 A011 A015 A021 C015 D173 P067 T014 A052 M110 
C10H8N 142 4 H029 M053 T054 S041 
C22H44N5O13 586 1 A239 
C9H17N2O3 201 1 A127 
C21H22NO4 352 2 A137 P071 
C13H17N2O2 233 2 M053 E007 
C6H15N2 115 1 B040 
C4H7O 71 3 F008 A224 B090 
C11H26N5O 244 1 E015 
C9H9O 133 4 B018 M078 M167 V021 
C2H4NO 58 4 M003 D037 M024 A166 
C2H9NO3P 126 1 A056 
C6H6NO3 140 1 H015 
C5H8N3 110 7 A073 C012 G117 H002 H013 C028 T027 
C10H10F3 187 1 F016 
C19H15FO3S 342 1 S054 
C9H13N2O6 245 1 U006 
C6H4N 90 3 A042 G101 C170 
C12H19N2O2 223 2 A226 N063 
C7H9N2O 137 3 M063 P056 P209 
C12H15N2O3 235 1 A226 
C7H16NO2 146 2 A060 C220 
C11H13Cl2N2O5 323 1 C057 
C7H14N2O2P 189 1 P113 
C16H25N2O4 309 1 B018 
C6H16N3 130 1 T021 
C15H20N3O3 290 2 A226 B026 
C14H18N3O4 292 1 A226 
C6H5O2 109 3 A191 F008 N028 
C12H26N3O7 324 1 A239 
C4H5O2S 117 1 A059 
C5H3O2 95 2 H015 P191 
C9H14N3O5 244 1 C119 
C11H13N4O3 249 1 G117 
C6H2Cl 109 1 C191 
C2H7O5 111 1 G003 
C24H29N4O5 453 1 A226 
C10H9N2 157 3 H027 I022 M037 
C26H34N5O5 496 1 A226 
C7H10NS 140 1 E012 
C26H36N5O6 514 1 A226 
C12H11 155 1 P192 
C2H2ClN2 89 1 A225 
C3H4NO 70 13 A016 A017 A039 C015 F025 P032 S002 A064 D037 E008 P060 U006 A155 
C3H2ClN2 101 1 A225 
C3H7N 57 7 A189 I008 D036 M126 T024 T061 H024 
C19H22NOS 312 1 M099 
C2H2NS 72 1 M054 
C13H11O 183 1 P192 
C6H8N3 122 5 C012 C077 M035 T056 T057 
C8H9N2O 149 2 P209 T033 
H2O2P 65 4 A056 D017 D113 P082 
C6H13O5 165 2 S049 M011 
C21H34N3O5 408 1 L007 
C4H12NO2 106 3 A224 D033 T022 
CHClN 62 1 A203 
C13H23O3 227 2 G050 T043 
C3H5ClN 90 1 A203 
C5H5N4S 153 1 M054 
C8H11S 139 1 B020 
C9H6NO2 160 1 X004 
C5H5O2 97 7 A007 A133 G020 O015 P075 A020 D067 
C6H6ClO 129 1 T112 
C5H16N2O3PS 215 1 A170 
C9H15 123 2 G075 D078 
C11H12NO4 222 1 B019 
C5H9N5Cl 139 1 A203 
C10H16N5O3 254 1 P157 
C13H8N2S 224 1 M047 
C9H10NO 148 2 E033 T041 
C8H6O 118 1 I050 
C4H6NO3 116 5 A016 A017 A039 F025 P032 
C7H6F 109 1 F016 
C6H7O 95 7 G062 H139 P033 P055 T002 B013 Q001 
C15H18NO5 292 1 P075 
C18H20NO 266 1 L047 
C9H18NO4 204 1 A143 
H3NO2P 80 1 A131 
C5H11N2O 115 8 A032 C013 D173 G117 O003 O005 P105 A155 
C15H9 189 2 A137 S042 
C7H8N3 134 4 A042 A073 G101 D183 
C3H8NO4S 154 1 C015 
C10H14NO3 196 1 T032 
C17H11O2 247 2 A137 P070 
C8H11NO5P 232 1 P113 
C7H5N3O2 163 1 C028 
C19H14O4 306 1 A137 
C19H25N2OS 329 1 M099 
C12H16N4O3PS 327 1 C077 
C11H15 147 1 G075 
C13H15N2 199 1 A123 
C12H10Cl 189 1 K005 
C7H20N3 146 2 A112 S003 
C15H23O2 235 1 G075 
C11H20NO10 326 1 G062 
C4H5O 69 33 A002 A007 A018 A037 A122 A133 A191 G003 G015 G032 G062 G065 H013 M080 O015 P067 P075 R016 S049 T014 A194 C043 D069 G021 G046 G051 M011 M024 M081 M082 M110 P081 U006 
C2HN2O 69 1 A196 
C5H5N4O 137 1 H014 
C8H13N4O 181 1 C012 
C3H6O6P 169 4 D017 P007 P029 P028 
C12H29N4O 245 1 A111 
C14H19N5O11P 464 1 A037 
C4H10NO 88 5 A032 A224 B090 D033 T022 
C9H8N3O3 206 1 A133 
C10H7 127 6 E034 N018 M101 P057 P192 T031 
C6H9N2O2 141 1 C013 
C12H27N4 227 1 A111 
C5H10NO3S 164 1 M114 
C2H8O4P 127 1 D141 
C6H5ClNO2S 190 1 D051 
C5H15N4 131 1 A104 
C6H11O10P2 305 1 F008 
C8H13N2O2 169 1 A103 
C10H8NO 158 3 I030 I038 M053 
C13H18NO6 284 1 S044 
C8H19N4O2 203 1 A103 
C19H22N5O4 384 1 P191 
C8H14N 124 3 A080 H045 T024 
C2H4N 42 4 S014 I046 S011 T051 
C3H7N2O 87 5 A016 D173 G037 C008 A155 
C8H16NO 142 3 A080 H045 T024 
C10H17N4O5 273 1 A039 
C5H10N 84 24 A050 A127 A174 H064 H073 L004 M035 M159 P048 A068 A069 A111 A112 A143 A170 C043 K004 L027 N016 S003 S011 S044 T122 D030 
C8H8N3O 162 1 D183 
C4H5N4 109 5 A007 M074 M030 M051 M110 
C11H10NO3 204 1 B019 
C6H13N2 113 3 A069 T021 T122 
C8H8I2NO 388 1 D056 
C9H9O3 165 2 L007 T002 
C13H18N3O 232 1 A069 
C7H6N3 132 2 G101 C170 
C6H6O 94 2 I050 P059 
C12H8 152 2 M089 N018 
C12H16N3O2S 266 1 A082 
C2H4NO2 74 28 A016 A017 A032 A039 A065 A127 A140 B018 C015 C094 F025 F034 G018 G061 H002 H048 H064 L004 M114 P032 T003 T020 A064 B026 D038 E056 H050 K004 
C6H15N2O 131 2 A051 A112 
C13H12N3O 226 1 D166 
C3H10NO2 92 1 A046 
C6H10NO2S 160 2 F034 P039 
C6H13N2O 129 3 A127 E005 L027 
C9H11N2O3 195 1 G043 
C10H9N 143 8 H027 I025 M040 M053 M101 M103 S041 T031 
C3H2N2S 98 1 M104 
C3H8NO2 90 12 A011 A015 A021 A138 P032 S014 A194 A197 C008 G039 P084 A155 
C15H17N2O4 289 1 Z003 
C11H12NO3 206 3 M078 A137 P070 
C13H19N4O4 295 1 B019 
C10H12N5 202 1 Z002 
C7H5O 105 3 X004 B009 B026 
C8H13N2O4S 233 1 L016 
C27H39N2O4 455 1 V021 
C6H6N2O 122 1 U011 
C7H6N5O2 192 1 A037 
C6H16O9P 263 2 S049 M011 
CH6N3 60 16 A039 B019 E015 G032 H073 M035 O009 A103 A104 A225 B010 B026 G039 M032 P105 T033 
C2H2N2 54 3 A237 M074 M030 
C7H6ClO 141 2 T112 B013 
C8H7NO 133 1 D056 
C24H37O 341 1 T072 
C2H5O2 61 8 A021 A059 M080 P067 S049 D083 M011 A204 
C5H11O3 119 1 P075 
C3H6NO 72 24 A011 A015 A021 A138 C034 C094 D173 E005 G061 G065 P032 A051 A052 A111 A197 C008 D122 G046 G051 L047 M081 N063 P177 S044 
C26H44NO4S 466 1 T072 
C18H38NO2 300 1 P067 
C11H15O 163 2 T065 A197 
C11H9Cl2N2O3 287 1 C057 
C22H23N2O5 395 1 M159 
C6H11NO4PS 224 1 T057 
C26H42NO5S 480 1 T043 
C3H5N2 69 19 A133 A237 C033 C119 D055 H014 M042 M043 T029 Z001 C028 D183 H025 I046 M030 P084 P095 T027 T123 
C3H5OS 89 1 A059 
C13H10O2 198 1 T040 
CH4N3 58 2 A045 C094 
C7H17N4O2 189 2 B019 H073 
C7H4N 102 2 B007 I019 
H4O4P 99 19 D017 D141 F008 G003 G020 M080 P007 P029 P033 S049 T065 G021 G069 M011 P028 P060 P074 P082 G030 
C14H11NO2 225 1 T040 
C7H10N5 164 2 M035 P075 
C4H12O3PS 171 1 D113 
C6H8NO4 158 1 E015 
C15H16N 210 2 E034 L047 
C12H8Cl3S 289 1 T123 
C13H9I2O2 451 1 T040 
C12H18N4O4PS 345 2 C077 T057 
C9H7N2 143 2 N067 T028 
C3H3S 71 1 M013 
C13H21N4O7S2 409 1 G008 
C19H13O5 321 2 D064 D106 
C5H10NO4 148 4 A031 G005 G019 G043 
C5H7N2O4S 191 1 C047 
C4H10NO3 120 5 T010 T020 H003 M025 A204 
C5H13N2O3S 181 1 M114 
C2H6NO 60 16 A016 A138 A191 G065 R016 S002 A051 D033 D078 G046 G051 H069 M033 M081 T051 A204 
C5H5O3S 145 1 A059 
C9H7O2 147 2 T002 T032 
C13H19N4O3 279 1 B026 
C20H29O3 317 1 G075 
C12H23N2O2 227 1 L007 
C6H13O3 133 1 S013 
C11H20NO8 294 1 A191 
C5H8O6P 195 1 O015 
C17H34N 252 1 P067 
C8H14N3O2 184 1 D131 
C24H33O 337 2 G050 T043 
C18H11NO3 289 1 S042 
C21H25F3N3S 408 1 T122 
C17H35N4O10 455 1 R016 
C19H27O 271 1 G075 
C4H7O3 103 5 A007 A059 C041 D083 A204 
C5H8NO2 114 9 A138 A191 C013 G061 R016 A052 B090 G051 H004 
C9H14NO2 168 4 P059 E013 M167 S058 
C12H9 153 1 N018 
H4O3P 83 1 A235 
C23H33N3O9P 526 1 P122 
C36H55O10 647 1 G057 
C8H7N2 131 4 D087 N067 P183 T028 
C2H3S 59 3 C127 M013 M126 
C6H12N3O2 158 3 O009 A103 P105 
C9H8N3O 174 1 C012 
C3H3N2S 99 2 M054 M104 
C15H16N3O4 302 1 P039 
C9H15N4S 211 1 C208 
C10H15N4O2 223 1 H013 
C8H14N2O5P 249 1 P113 
C8H9O 121 5 P075 A080 E007 S040 T008 
C4H5O2 85 26 A007 A031 A059 E005 G003 G005 G019 G020 G043 G061 G065 M067 M080 P067 S049 A143 C041 D038 D083 E056 G046 G051 M011 M081 M082 A204 
C13H15N4O3 275 1 T033 
C2NOS 86 1 P055 
C9H6NO5 208 1 S044 
C14H17ClN3O2 294 1 T112 
C9H7O3 163 2 C063 I050 
C3H8O7P 187 2 P029 P028 
C7H8NOS 154 1 P055 
C4H7N2O2 115 6 F025 G037 P039 G039 M115 P061 
C6H6NO2 124 6 B019 N004 P094 F013 I017 P045 
C9H7O 131 1 P002 
C10H14N2O11P 369 1 O015 
C7H14N3O2 172 1 H073 
C8H14NO4 188 1 O009 
C10H8 128 1 N018 
C3H8NO5S2 202 1 C127 
C3H8O3 92 1 D057 
C11H9 141 2 N018 P192 
C6H9N2 109 5 A140 M076 M077 P035 M022 
C12H9O 169 1 N018 
C13H13O 185 1 N018 
C10H11N2 159 5 P122 T003 T054 A069 C172 
C2H7NO2P 108 1 A056 
C5H10NO4S 180 1 A059 
C5H5O3 113 3 A059 G019 D083 
C7H5O2 121 2 A018 G062 
C9H11INO3 308 1 I050 
C19H15NO5 337 1 M159 
C20H18NO5 352 1 M159 
C10H6N 140 1 M037 
C5H9O3 117 4 G003 H048 T014 M110 
C4H8N3O 114 4 A196 C034 G039 V020 
C23H28N3O7 458 1 M159 
C6H11O2 115 5 A053 L003 N014 S013 L057 
C4H3N3S 125 1 M104 
C12H7 151 2 M089 M142 
C9H12N5O2 222 1 P157 
C8H7O4 167 2 A018 G062 
C3H2NO 68 1 C033 
C8H8N3O3 194 1 P183 
C9H7O4 179 2 A018 G062 
C26H42NO5 448 1 G050 
C5H12N3 114 2 E015 A104 
C5H10NO5 164 1 G061 
C9H12NO3 182 2 L007 T002 
C3H7O2S 107 1 A059 
C9H15N5 193 1 M035 
C6H5N2 105 6 G101 C089 C170 I051 M172 P183 
C3H5N2O2 101 1 V020 
C5H9N2 97 17 A032 A140 C013 E011 E015 H002 L006 O009 R041 A069 A104 B026 H069 M076 M077 P105 M022 
C5H8NOS 130 1 L016 
C5H13N2 101 2 A127 A170 
C19H21N2O 293 1 M156 
C4H5O3 101 1 D173 
CH4O2P 79 2 A056 A131 
C4H7N2O 99 2 T015 H025 
C3H4N 54 45 A042 A073 A093 A140 A237 B007 B020 C012 C208 D131 F025 F034 H002 H013 M042 M043 M074 P055 P075 T014 T015 T056 T057 A044 C028 D033 D087 D183 H025 H058 H069 I014 I053 M029 M030 M076 M077 M110 M124 M126 P098 T027 T030 M022 P042 
C2H4NS 74 2 C127 M126 
C6H10NO3S 176 1 L016 
C11H17N2O6S 305 1 L016 
C9H18NO5 220 1 P032 
C6H8NO2 126 10 A122 A191 E011 G065 E008 G021 G046 G051 M081 M082 
C12H18N3O7S 348 1 L016 
C6H13N2O2S 177 1 C047 
C15H23N2O4 295 1 L007 
C5H11N2 99 2 L006 B010 
C10H15N2O2S 227 1 B020 
C9H8O3 164 1 I050 
C8H6IO 245 1 I050 
C12H9N 167 3 I025 M099 M142 
C7H7IO 234 1 D056 
C3H9NO5P 170 1 A131 
C5H9O 85 1 H073 
C7H9S 125 1 B020 
C3H6NO2S 120 1 C127 
C4H6NO2 100 1 D173 
C5H10N5O 156 1 A196 
C8H7N 117 21 H027 H139 I022 I025 I030 I038 M040 M078 T003 T054 A035 A068 E007 M101 M103 M172 N016 P057 S041 T031 N044 
C10H12N 146 2 H027 A068 
C11H12N2 172 1 H027 
C11H12NO 174 6 H027 M040 M053 B026 M103 P061 
C6H12NO2 130 8 A050 A127 A174 D064 H073 L004 P048 D106 
C9H13 121 1 G075 
C12H15 159 1 G075 
C8H9N2 133 4 E012 A035 A036 C172 
C13H21 177 1 G075 
C3H5O3 89 2 E015 P028 
C4H4N 66 9 A073 H002 H015 I066 N012 U011 D183 M063 P035 
C11H9ClNO 206 1 C057 
C5H8N2 96 4 A140 M076 M077 M022 
C7H7N 105 1 M053 
C5H13N2O2S 165 1 C047 
C11H10NO5 236 1 G062 
C6H8N3O 138 4 C012 I066 C028 T027 
C6H9O2 113 5 A050 D064 P032 D106 O016 
C16H13F3NS 308 1 T122 
C8H5N3O 159 1 A082 
C9H11O6 215 2 A018 G062 
C10H15N2O6 259 1 G043 
C5H7N2O 111 2 G032 I053 
C2H6O5 110 1 G003 
C5H9N2O2 129 2 D173 G032 
C6H11N2O3 159 1 C013 
C18H27N2O2 303 1 V021 
C3H9O10P2 267 1 D017 
C4H8NO2 102 27 A031 A065 C094 E005 F034 G005 G018 G019 G043 M003 M114 O008 P092 R016 T010 T020 A020 A239 B090 D038 D061 D183 E056 G006 H003 M025 A204 
C11H10NO2 188 4 P122 T003 A137 P070 
C6H12NO3S 178 2 F034 A064 
C3H6NO2 88 11 A016 A017 A039 C015 F025 S002 X004 A064 C044 D037 P060 
C5H9N2O4 161 1 F025 
C17H17FN3O2 314 1 C133 
C5H7O4 131 3 A059 G019 D083 
C9H14NOS 184 1 B020 
C6H7O3 127 5 F008 G020 M080 T065 G051 
C12H9N2 181 1 P057 
C11H14NO6 256 1 A018 
C9H6O2 146 1 I050 
C2H7N2O 75 1 A166 
C12H13N2O2S 249 1 A220 
C12H12N5 226 1 B015 
C6H12N3 126 4 A140 H073 M076 M022 
C3H3O2 71 3 A059 E015 D083 
C8H10N 120 10 A067 B018 E033 P002 Z003 A068 D087 M111 N016 P206 
C4H3O3 99 1 F025 
C10H14N3O3 224 2 A140 H013 
C7H9O2 125 2 N028 T126 
C12H19N4O2 251 1 B019 
C4H6NO 84 34 A031 A122 A191 E005 F034 G005 G018 G019 G043 G062 G065 G117 L016 M114 O008 P092 R016 T010 T014 T015 T020 D038 D061 D183 E056 G006 G021 G046 G051 M025 M081 M082 S044 A204 
C5H8N3O 126 1 M029 
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