Ojima:PR100691n

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

Ranking	About scoring
N028+ Score:5.94 F008+ Score:5.94 A191+ Score:5.94	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 C6H5O2:   A191+  F008+  N028+

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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。

PR100691n	577 C30H25O12	451 C24H19O9	425 C22H17O9	407 C22H15O8	289 C15H13O6	245 C14H13O4	161 C9H5O3	137 C7H5O3	125 C6H5O3	109 C6H5O2
577 C30H25O12
451 C24H19O9	C6H6O3
425 C22H17O9	C8H8O3	C2H2
407 C22H15O8	C8H10O4	C2H4O	H2O
289 C15H13O6	C15H12O6	C9H6O3	C7H4O3	C7H2O2
245 C14H13O4	C16H12O8	C10H6O5	C8H4O5	C8H2O4	CO2
161 C9H5O3	C21H20O9	C15H14O6	C13H12O6	C13H10O5	C6H8O3	C5H8O
137 C7H5O3	C23H20O9	C17H14O6	C15H12O6	C15H10O5	C8H8O3	C7H8O	C2
125 C6H5O3	C24H20O9	C18H14O6	C16H12O6	C16H10O5	C9H8O3	C8H8O	C3	C
109 C6H5O2	C24H20O10	C18H14O7	C16H12O7	C16H10O6	C9H8O4	C8H8O2	C3O	CO	O

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