MassBank:KOX00160p
From Metabolomics.JP
(Difference between revisions)
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&&C16H19O9&&C9H7O3&&C9H5O2&&C8H7O2&&C8H5O&&C7H7O&&C7H5&&C6H7&& | &&C16H19O9&&C9H7O3&&C9H5O2&&C8H7O2&&C8H5O&&C7H7O&&C7H5&&C6H7&& | ||
| − | &&C16H19O9: C9H7O3 C8H7O2 | + | &&C16H19O9: C9H7O3 C9H5O2** C8H7O2 C8H5O** C7H7O** C7H5** |
| − | &&C9H7O3: C9H5O2 C8H7O2 | + | &&C9H7O3: C9H5O2 C8H7O2 C8H5O** C7H7O** C7H5** |
| − | &&C9H5O2: C8H5O | + | &&C9H5O2: C8H5O C7H5** |
| − | &&C8H7O2: C8H5O C7H7O | + | &&C8H7O2: C8H5O C7H7O C7H5** |
&&C8H5O: C7H5 | &&C8H5O: C7H5 | ||
&&C7H7O: C7H5 C6H7 | &&C7H7O: C7H5 C6H7 | ||
}} | }} | ||
Revision as of 09:00, 1 July 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
Chlorogenate
| IDs and Links | |
|---|---|
| MassBank | Chlorogenate |
| CAS | 327-97-9 |
| Keio ID | C063+ |
Contents |
Top 10 Similar Molecules of Chlorogenate
| 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 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。 |
| KOX00160p | 355 C16H19O9 |
163 C9H7O3 |
145 C9H5O2 |
135 C8H7O2 |
117 C8H5O |
107 C7H7O |
89 C7H5 |
79 C6H7 |
|---|---|---|---|---|---|---|---|---|
| 355 C16H19O9 |
| |||||||
| 163 C9H7O3 | C7H12O6 |
| ||||||
| 145 C9H5O2 | C7H14O7 | H2O |
| |||||
| 135 C8H7O2 | C8H12O7 | CO |
| |||||
| 117 C8H5O | C8H14O8 | CH2O2 | CO | H2O |
| |||
| 107 C7H7O | C9H12O8 | C2O2 | CO |
| ||||
| 89 C7H5 | C9H14O9 | C2H2O3 | C2O2 | CH2O2 | CO | H2O |
| |
| 79 C6H7 | C10H12O9 | C3O3 | C2O2 | CO |
|
