MassBank:KOX00770p
From Metabolomics.JP
(Difference between revisions)
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&&C8H16NOS2: C3H5S2 | &&C8H16NOS2: C3H5S2 | ||
a | a | ||
| − | &&C8H16NOS2: C4H7** | + | &&C8H16NOS2: C7H9** C7H7** C4H7** |
&&C8H13OS2: C8H11S2 | &&C8H13OS2: C8H11S2 | ||
IT | IT | ||
&&C8H13OS2: C7H13S2 | &&C8H13OS2: C7H13S2 | ||
IT | IT | ||
| − | &&C8H13OS2: C8H9S** C7H11S** C3H5S2 C4H7** | + | &&C8H13OS2: C8H9S** C7H11S** C3H5S2 C7H9** C7H7** C4H7** |
| − | &&C8H11S2: C8H9S C7H11S* C3H5S2 C4H7** | + | &&C8H11S2: C8H9S C7H11S* C3H5S2 C7H9** C7H7** C4H7** |
&&C7H13S2: C7H11S | &&C7H13S2: C7H11S | ||
IT | IT | ||
| − | &&C7H13S2: C3H5S2 C4H7 | + | &&C7H13S2: C3H5S2 C7H9* C7H7* C4H7 |
| − | &&C8H9S: C5H9S* C7H9* C4H7** | + | &&C8H9S: C5H9S* C7H9* C7H7** C4H7** |
| − | &&C7H11S: C4H7 | + | &&C7H11S: C7H9 C7H7* C4H7 |
| − | &&C7H9: C7H7* C6H7* | + | &&C7H9: C7H7* C6H7* C4H7 |
&&C7H7: C6H7* C6H5* C5H7* C4H7* | &&C7H7: C6H7* C6H5* C5H7* C4H7* | ||
&&C6H7: C6H5* C5H7* C4H7* | &&C6H7: C6H5* C5H7* C4H7* | ||
&&C5H7: C4H7* | &&C5H7: C4H7* | ||
}} | }} | ||
Revision as of 18:24, 6 August 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
a-Lipoamide
| IDs and Links | |
|---|---|
| MassBank | a-Lipoamide |
| CAS | 940-69-2 |
| Keio ID | L031+ |
Contents |
Top 10 Similar Molecules of a-Lipoamide
| Ranking | About scoring |
|---|---|
|
The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules:
|
Links
Annotations
| Precursor | Product | Comments |
|---|---|---|
| C8H16NOS2 (206) | C8H13OS2 (189) | d |
| C8H16NOS2 (206) | C7H13S2 (161) | b |
| C8H16NOS2 (206) | C3H5S2 (105) | a |
| C8H13OS2 (189) | C8H11S2 (171) | IT |
| C8H13OS2 (189) | C7H13S2 (161) | IT |
| C7H13S2 (161) | C7H11S (127) | 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。 |
| KOX00770p | 206 C8H16NOS2 |
189 C8H13OS2 |
171 C8H11S2 |
161 C7H13S2 |
137 C8H9S |
127 C7H11S |
105 C3H5S2 |
101 C5H9S |
93 C7H9 |
91 C7H7 |
79 C6H7 |
77 C6H5 |
67 C5H7 |
55 C4H7 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 206 C8H16NOS2 |
| |||||||||||||
| 189 C8H13OS2 | H3N |
| ||||||||||||
| 171 C8H11S2 | H5NO | H2O |
| |||||||||||
| 161 C7H13S2 | CH3NO | CO |
| |||||||||||
| 137 C8H9S | H7NOS | H4OS | H2S |
| ||||||||||
| 127 C7H11S | CH5NOS | CH2OS | CS | H2S |
| |||||||||
| 105 C3H5S2 | C5H11NO | C5H8O | C5H6 | C4H8 |
| |||||||||
| 101 C5H9S | C3H7NOS | C3H4OS | C3H2S | C2H4S | C3 | C2H2 |
| |||||||
| 93 C7H9 | CH7NOS2 | CH4OS2 | CH2S2 | H4S2 | CS | H2S |
| |||||||
| 91 C7H7 | CH9NOS2 | CH6OS2 | CH4S2 | H6S2 | CH2S | H4S | H2 |
| ||||||
| 79 C6H7 | C2H9NOS2 | C2H6OS2 | C2H4S2 | CH6S2 | C2H2S | CH4S | CH2 | C |
| |||||
| 77 C6H5 | C2H11NOS2 | C2H8OS2 | C2H6S2 | CH8S2 | C2H4S | CH6S | CH4 | CH2 | H2 |
| ||||
| 67 C5H7 | C3H9NOS2 | C3H6OS2 | C3H4S2 | C2H6S2 | C3H2S | C2H4S | H2S | C2H2 | C2 | C |
| |||
| 55 C4H7 | C4H9NOS2 | C4H6OS2 | C4H4S2 | C3H6S2 | C4H2S | C3H4S | CH2S | C3H2 | C3 | C2 | C |
|
