Ojima:PR100687n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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(+)-Catechin

IDs and Links
MassBank	(+)-Catechin
CAS	154-23-4
Keio ID

Top 10 Similar Molecules of (+)-Catechin

Ranking	About scoring
G062+ Score:18.7 A018+ Score:18.7 N028+ Score:11.49 F008+ Score:5.94 A191+ Score:5.94 M169+ Score:5.54 T002+ Score:5.54 P113+ Score:5.54 E033+ Score:5.54 D067+ Score:5.25	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

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Page list for each fragment
Pages Related to Peak C9H7O4:   A018+  G062+   Pages Related to Peak C8H7O3:   A018+  G062+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+   Pages Related to Peak C7H5O2:   A018+  G062+   Pages Related to Peak C6H5O2:   A191+  F008+  N028+   Pages Related to Peak C5H5O2:   A007+  A133+  G020+  O015+  P075+  A020+  D067+

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。

PR100687n	289 C15H13O6	245 C14H13O4	205 C11H9O4	203 C12H11O3	187 C11H7O3	179 C9H7O4	151 C8H7O3	137 C7H5O3	125 C6H5O3	123 C7H7O2	121 C7H5O2	109 C6H5O2	97 C5H5O2
289 C15H13O6
245 C14H13O4	CO2
205 C11H9O4	C4H4O2	C3H4
203 C12H11O3	C3H2O3	C2H2O
187 C11H7O3	C4H6O3	C3H6O	H2O	CH4
179 C9H7O4	C6H6O2	C5H6	C2H2
151 C8H7O3	C7H6O3	C6H6O	C3H2O	C4H4	C3	CO
137 C7H5O3	C8H8O3	C7H8O	C4H4O	C5H6	C4H2	C2H2O	CH2
125 C6H5O3	C9H8O3	C8H8O	C5H4O	C6H6	C5H2	C3H2O	C2H2	C
123 C7H7O2	C8H6O4	C7H6O2	C4H2O2	C5H4O	C4O	C2O2	CO
121 C7H5O2	C8H8O4	C7H8O2	C4H4O2	C5H6O	C4H2O	C2H2O2	CH2O	O		H2
109 C6H5O2	C9H8O4	C8H8O2	C5H4O2	C6H6O	C5H2O	C3H2O2	C2H2O	CO	O	CH2	C
97 C5H5O2	C10H8O4	C9H8O2	C6H4O2	C7H6O	C6H2O	C4H2O2	C3H2O	C2O	CO	C2H2	C2	C

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