MassBank:KOX00722p
From Metabolomics.JP
(Difference between revisions)
| Line 2: | Line 2: | ||
&&C18H24NO3&&C10H16NO&&C8H12NO2&&C10H13O&&C8H9O2&&C8H7O&&C7H9O&&C7H7O&&C7H7&&C6H5&&C5H5&& | &&C18H24NO3&&C10H16NO&&C8H12NO2&&C10H13O&&C8H9O2&&C8H7O&&C7H9O&&C7H7O&&C7H7&&C6H5&&C5H5&& | ||
| − | &&C18H24NO3: C10H16NO C8H12NO2 C10H13O C8H9O2 C8H7O** C7H9O** C7H7O C7H7** C6H5** C5H5** | + | &&C18H24NO3: C10H16NO |
| − | &&C10H16NO: C10H13O C8H7O* C7H9O* C7H7O C7H7** C6H5** C5H5** | + | c |
| + | &&C18H24NO3: C8H12NO2 | ||
| + | e | ||
| + | &&C18H24NO3: C10H13O | ||
| + | f | ||
| + | &&C18H24NO3: C8H9O2 | ||
| + | d | ||
| + | &&C18H24NO3: C8H7O** C7H9O** | ||
| + | &&C18H24NO3: C7H7O | ||
| + | b | ||
| + | &&C18H24NO3: C7H7** C6H5** C5H5** | ||
| + | &&C10H16NO: C10H13O | ||
| + | IT | ||
| + | &&C10H16NO: C8H7O* C7H9O* | ||
| + | &&C10H16NO: C7H7O | ||
| + | IT | ||
| + | &&C10H16NO: C7H7** C6H5** C5H5** | ||
&&C8H12NO2: C8H9O2 C8H7O** C7H9O** C7H7O* C7H7** C6H5** C5H5** | &&C8H12NO2: C8H9O2 C8H7O** C7H9O** C7H7O* C7H7** C6H5** C5H5** | ||
&&C10H13O: C8H7O* C7H9O* C7H7O C7H7** C6H5** C5H5** | &&C10H13O: C8H7O* C7H9O* C7H7O C7H7** C6H5** C5H5** | ||
| − | &&C8H9O2: C8H7O C7H9O C7H7O* C7H7** C6H5** C5H5** | + | &&C8H9O2: C8H7O |
| + | IT | ||
| + | &&C8H9O2: C7H9O | ||
| + | IT | ||
| + | &&C8H9O2: C7H7O* C7H7** C6H5** C5H5** | ||
&&C8H7O: C7H7O* C7H7 C6H5** C5H5** | &&C8H7O: C7H7O* C7H7 C6H5** C5H5** | ||
&&C7H9O: C7H7O* C7H7 C6H5* C5H5** | &&C7H9O: C7H7O* C7H7 C6H5* C5H5** | ||
Revision as of 13:54, 7 July 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
Dobutamine
| IDs and Links | |
|---|---|
| MassBank | Dobutamine |
| CAS | 34368-04-2 |
| Keio ID | D185+ |
Contents |
Top 10 Similar Molecules of Dobutamine
| 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:
|
Links
Annotations
| Precursor | Product | Comments |
|---|---|---|
| C18H24NO3 (302) | C10H16NO (166) | c |
| C18H24NO3 (302) | C8H12NO2 (154) | e |
| C18H24NO3 (302) | C10H13O (149) | f |
| C18H24NO3 (302) | C8H9O2 (137) | d |
| C18H24NO3 (302) | C7H7O (107) | b |
| C10H16NO (166) | C10H13O (149) | IT |
| C10H16NO (166) | C7H7O (107) | IT |
| C8H9O2 (137) | C8H7O (119) | IT |
| C8H9O2 (137) | C7H9O (109) | 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。 |
| KOX00722p | 302 C18H24NO3 |
166 C10H16NO |
154 C8H12NO2 |
149 C10H13O |
137 C8H9O2 |
119 C8H7O |
109 C7H9O |
107 C7H7O |
91 C7H7 |
77 C6H5 |
65 C5H5 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 302 C18H24NO3 |
| ||||||||||
| 166 C10H16NO | C8H8O2 |
| |||||||||
| 154 C8H12NO2 | C10H12O |
| |||||||||
| 149 C10H13O | C8H11NO2 | H3N |
| ||||||||
| 137 C8H9O2 | C10H15NO | H3N |
| ||||||||
| 119 C8H7O | C10H17NO2 | C2H9N | H5NO | C2H6 | H2O |
| |||||
| 109 C7H9O | C11H15NO2 | C3H7N | CH3NO | C3H4 | CO |
| |||||
| 107 C7H7O | C11H17NO2 | C3H9N | CH5NO | C3H6 | CH2O | C | H2 |
| |||
| 91 C7H7 | C11H17NO3 | C3H9NO | CH5NO2 | C3H6O | CH2O2 | CO | H2O | O |
| ||
| 77 C6H5 | C12H19NO3 | C4H11NO | C2H7NO2 | C4H8O | C2H4O2 | C2H2O | CH4O | CH2O | CH2 |
| |
| 65 C5H5 | C13H19NO3 | C5H11NO | C3H7NO2 | C5H8O | C3H4O2 | C3H2O | C2H4O | C2H2O | C2H2 | C |
|
