Ojima:PR100266p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Procyanidin B1

IDs and Links
MassBank	Procyanidin B1
CAS	20315-25-7
Keio ID

Top 10 Similar Molecules of Procyanidin B1

[show] Ranking	About scoring
I050+ Score:6.23 C063+ Score:6.23 N028+ Score:5.54 M169+ Score:5.54 G051+ Score:5.54 T065+ Score:5.54 T002+ Score:5.54 P113+ Score:5.54 M080+ Score:5.54 G020+ 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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[show] Page list for each fragment
Pages Related to Peak C9H7O3:   C063+  I050+   Pages Related to Peak C6H7O3:   F008+  G020+  M080+  T065+  G051+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+

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Precursor-Product Relationship

[show] 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。

[hide] PR100266p	579 C30H27O12	287 C15H11O6	163 C9H7O3	139 C7H7O3	127 C6H7O3	123 C7H7O2
579 C30H27O12
287 C15H11O6	C15H16O6
163 C9H7O3	C21H20O9	C6H4O3
139 C7H7O3	C23H20O9	C8H4O3	C2
127 C6H7O3	C24H20O9	C9H4O3	C3	C
123 C7H7O2	C23H20O10	C8H4O4	C2O	O

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