MassBank:KOX00666p
From Metabolomics.JP
(Difference between revisions)
m (MassBank:KOX00666 moved to MassBank:KOX00666p) |
Latest revision as of 13:43, 4 November 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
Amiloride
| IDs and Links | |
|---|---|
| MassBank | Amiloride |
| CAS | 2609-46-3 |
| Keio ID | A225+ |
Contents |
[edit] Top 10 Similar Molecules of Amiloride
| 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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[edit] Links
[edit] Annotations
| Precursor | Product | Comments |
|---|---|---|
| C6H9ClN7O (230) | C6H6ClN6O (213) | -NH3 |
| C6H9ClN7O (230) | C5H7ClN5O (188) | b |
| C6H9ClN7O (230) | C5H4ClN4O (171) | b,-NH3 |
| C6H9ClN7O (230) | C4H4ClN4 (143) | a |
| C6H9ClN7O (230) | C3H3ClN3 (116) | d |
| C6H9ClN7O (230) | C2H2ClN2 (89) | e |
| C6H9ClN7O (230) | C2HClN (74) | f |
| C6H9ClN7O (230) | CH6N3 (60) | c |
| C5H4ClN4O (171) | C4H4ClN4 (143) | IT |
| C5H4ClN4O (171) | C3H3ClN3 (116) | IT |
[edit] 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。 |
| KOX00666p | 230 C6H9ClN7O |
213 C6H6ClN6O |
188 C5H7ClN5O |
171 C5H4ClN4O |
143 C4H4ClN4 |
116 C3H3ClN3 |
101 C3H2ClN2 |
89 C2H2ClN2 |
74 C2HClN |
64 CH3ClN |
60 CH6N3 |
55 C4H7 |
55 C2H3N2 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 230 C6H9ClN7O |
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| 213 C6H6ClN6O | H3N |
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| 188 C5H7ClN5O | CH2N2 |
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| 171 C5H4ClN4O | CH5N3 | CH2N2 | H3N |
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| 143 C4H4ClN4 | C2H5N3O | C2H2N2O | CH3NO | CO |
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| 116 C3H3ClN3 | C3H6N4O | C3H3N3O | C2H4N2O | C2HNO | CHN |
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| 101 C3H2ClN2 | C3H7N5O | C3H4N4O | C2H5N3O | C2H2N2O | CH2N2 | HN |
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| 89 C2H2ClN2 | C4H7N5O | C4H4N4O | C3H5N3O | C3H2N2O | C2H2N2 | CHN | C |
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| 74 C2HClN | C4H8N6O | C4H5N5O | C3H6N4O | C3H3N3O | C2H3N3 | CH2N2 | CHN | HN |
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| 64 CH3ClN | C5H6N6O | C5H3N5O | C4H4N4O | C4HN3O | C3HN3 | C2N2 |
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| 60 CH6N3 | C5H3ClN4O | C5ClN3O | C4HClN2O |
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| 55 C4H7 | C2H2ClN7O | CClN5O |
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| 55 C2H3N2 | C4H6ClN5O | C4H3ClN4O | C3H4ClN3O | C3HClN2O | C2HClN2 | CClN |
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