Ojima:PR100262p

General Index

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
T002+ Score:18 T032+ Score:6.23 L007+ Score:6.23 N028+ Score:5.54 M169+ Score:5.54 P113+ Score:5.54 E033+ Score:5.54	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 C9H9O3:   L007+  T002+   Pages Related to Peak C9H7O2:   T002+  T032+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+

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。

PR100262p	291 C15H15O6	165 C9H9O3	161 C10H9O2	147 C9H7O2	139 C7H7O3	123 C7H7O2
291 C15H15O6
165 C9H9O3	C6H6O3
161 C10H9O2	C5H6O4
147 C9H7O2	C6H8O4	H2O	CH2
139 C7H7O3	C8H8O3	C2H2
123 C7H7O2	C8H8O4	C2H2O	C3H2	C2	O

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