MassBank:KOX00674p
From Metabolomics.JP
(Difference between revisions)
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&&C10H13ClNO2&&C10H10ClO2&&C10H11ClNO&&C10H8ClO&&C10H9ClN&&C7H9ClNO&&C8H9ClN&&C9H8Cl&&C10H8O&&C7H6ClO&&C7H6Cl&&C8H8N&&C9H8&&C9H7&&C6H7O&&C7H7&&C6H5&&C5H5&&C4H3&& | &&C10H13ClNO2&&C10H10ClO2&&C10H11ClNO&&C10H8ClO&&C10H9ClN&&C7H9ClNO&&C8H9ClN&&C9H8Cl&&C10H8O&&C7H6ClO&&C7H6Cl&&C8H8N&&C9H8&&C9H7&&C6H7O&&C7H7&&C6H5&&C5H5&&C4H3&& | ||
| − | &&C10H13ClNO2: C10H10ClO2 C10H11ClNO C10H8ClO** C10H9ClN** C8H9ClN C9H8Cl** C10H8O** C7H6Cl** C8H8N** C9H8** C9H7** C7H7** C6H5** C5H5** | + | &&C10H13ClNO2: C10H10ClO2 |
| + | e | ||
| + | &&C10H13ClNO2: C10H11ClNO | ||
| + | d | ||
| + | &&C10H13ClNO2: C10H8ClO** C10H9ClN** | ||
| + | &&C10H13ClNO2: C8H9ClN | ||
| + | g | ||
| + | &&C10H13ClNO2: C9H8Cl** C10H8O** C7H6Cl** C8H8N** C9H8** C9H7** C7H7** C6H5** C5H5** | ||
&&C10H10ClO2: C10H8ClO C9H8Cl C10H8O** C7H6Cl** C9H8** C9H7** C7H7** C6H5** C5H5** | &&C10H10ClO2: C10H8ClO C9H8Cl C10H8O** C7H6Cl** C9H8** C9H7** C7H7** C6H5** C5H5** | ||
&&C10H11ClNO: C10H8ClO C10H9ClN C8H9ClN C9H8Cl** C10H8O** C7H6Cl** C8H8N** C9H8** C9H7** C7H7** C6H5** C5H5** | &&C10H11ClNO: C10H8ClO C10H9ClN C8H9ClN C9H8Cl** C10H8O** C7H6Cl** C8H8N** C9H8** C9H7** C7H7** C6H5** C5H5** | ||
| − | &&C10H8ClO: C9H8Cl C10H8O C7H6Cl** C9H8** C9H7** C7H7** C6H5** C5H5** | + | &&C10H8ClO: C9H8Cl |
| + | IT | ||
| + | &&C10H8ClO: C10H8O | ||
| + | IT | ||
| + | &&C10H8ClO: C7H6Cl** C9H8** C9H7** C7H7** C6H5** C5H5** | ||
&&C10H9ClN: C8H9ClN* C9H8Cl** C7H6Cl** C8H8N** C9H8** C9H7** C7H7** C6H5** C5H5** | &&C10H9ClN: C8H9ClN* C9H8Cl** C7H6Cl** C8H8N** C9H8** C9H7** C7H7** C6H5** C5H5** | ||
&&C8H9ClN: C7H6Cl C8H8N C7H7** C6H5** C5H5** | &&C8H9ClN: C7H6Cl C8H8N C7H7** C6H5** C5H5** | ||
| − | &&C9H8Cl: C7H6Cl** C9H8 C9H7 C7H7** C6H5** C5H5** | + | &&C9H8Cl: C7H6Cl** |
| + | &&C9H8Cl: C9H8 | ||
| + | IT | ||
| + | &&C9H8Cl: C9H7 | ||
| + | IT | ||
| + | &&C9H8Cl: C7H7** C6H5** C5H5** | ||
&&C10H8O: C9H8 C9H7 C7H7** C6H5 C5H5 | &&C10H8O: C9H8 C9H7 C7H7** C6H5 C5H5 | ||
&&C7H6ClO: C7H6Cl* | &&C7H6ClO: C7H6Cl* | ||
Revision as of 13:42, 6 July 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
Baclofen
| IDs and Links | |
|---|---|
| MassBank | Baclofen |
| CAS | |
| Keio ID | B013+ |
Contents |
Top 10 Similar Molecules of Baclofen
| Ranking | About scoring |
|---|---|
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The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules:
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Links
Annotations
| Precursor | Product | Comments |
|---|---|---|
| C10H13ClNO2 (214) | C10H10ClO2 (197) | e |
| C10H13ClNO2 (214) | C10H11ClNO (196) | d |
| C10H13ClNO2 (214) | C8H9ClN (154) | g |
| C10H8ClO (179) | C9H8Cl (151) | IT |
| C10H8ClO (179) | C10H8O (144) | IT |
| C9H8Cl (151) | C9H8 (116) | IT |
| C9H8Cl (151) | C9H7 (115) | IT |
Precursor-Product Relationship
| About the PP Table (行列表示について) | |
|---|---|
| The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it.
Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds). |
行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。
行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。 |
| KOX00674p | 214 C10H13ClNO2 |
197 C10H10ClO2 |
196 C10H11ClNO |
179 C10H8ClO |
178 C10H9ClN |
158 C7H9ClNO |
154 C8H9ClN |
151 C9H8Cl |
144 C10H8O |
141 C7H6ClO |
125 C7H6Cl |
118 C8H8N |
116 C9H8 |
115 C9H7 |
95 C6H7O |
91 C7H7 |
77 C6H5 |
65 C5H5 |
51 C4H3 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 214 C10H13ClNO2 |
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| 197 C10H10ClO2 | H3N |
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| 196 C10H11ClNO | H2O |
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| 179 C10H8ClO | H5NO | H2O | H3N |
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| 178 C10H9ClN | H4O2 | H2O |
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| 158 C7H9ClNO | C3H4O | C3H2 |
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| 154 C8H9ClN | C2H4O2 | C2H2O | C2 |
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| 151 C9H8Cl | CH5NO2 | CH2O2 | CH3NO | CO | CHN |
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| 144 C10H8O | H5ClNO | H2ClO | H3ClN | Cl |
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| 141 C7H6ClO | C3H7NO | C3H4O | C3H5N | C3H2 | H3N |
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| 125 C7H6Cl | C3H7NO2 | C3H4O2 | C3H5NO | C3H2O | C3H3N | H3NO | CH3N | C2H2 | O |
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| 118 C8H8N | C2H5ClO2 | C2H3ClO | C2HCl | HCl |
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| 116 C9H8 | CH5ClNO2 | CH2ClO2 | CH3ClNO | CClO | CHClN | Cl | CO |
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| 115 C9H7 | CH6ClNO2 | CH3ClO2 | CH4ClNO | CHClO | CH2ClN | HCl | CHO | H |
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| 95 C6H7O | C4H6ClNO | C4H3ClO | C4H4ClN | C4HCl | CH2ClN | C4H |
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| 91 C7H7 | C3H6ClNO2 | C3H3ClO2 | C3H4ClNO | C3HClO | C3H2ClN | H2ClNO | CH2ClN | C2HCl | C3HO | CHN | C2H | C2 |
| ||||||
| 77 C6H5 | C4H8ClNO2 | C4H5ClO2 | C4H6ClNO | C4H3ClO | C4H4ClN | CH4ClNO | C2H4ClN | C3H3Cl | C4H3O | CHClO | CHCl | C2H3N | C3H3 | C3H2 | H2O | CH2 |
| ||
| 65 C5H5 | C5H8ClNO2 | C5H5ClO2 | C5H6ClNO | C5H3ClO | C5H4ClN | C2H4ClNO | C3H4ClN | C4H3Cl | C5H3O | C2HClO | C2HCl | C3H3N | C4H3 | C4H2 | CH2O | C2H2 | C |
| |
| 51 C4H3 | C6H10ClNO2 | C6H7ClO2 | C6H8ClNO | C6H5ClO | C6H6ClN | C3H6ClNO | C4H6ClN | C5H5Cl | C6H5O | C3H3ClO | C3H3Cl | C4H5N | C5H5 | C5H4 | C2H4O | C3H4 | C2H2 | CH2 |
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