Ojima:KOX00285n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Glycyrrhizate

IDs and Links
MassBank	Glycyrrhizate
CAS	1405-86-3
Keio ID	G057-

Top 10 Similar Molecules of Glycyrrhizate

Ranking	About scoring
D083+ Score:5.94 G019+ Score:5.94 A059+ 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 C5H5O3:   A059+  G019+  D083+

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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。

KOX00285n	821 C42H61O16	351 C12H15O12	289 C11H13O9	193 C6H9O7	175 C6H7O6	113 C5H5O3
821 C42H61O16
351 C12H15O12	C30H46O4
289 C11H13O9	C31H48O7	CH2O3
193 C6H9O7	C36H52O9	C6H6O5	C5H4O2
175 C6H7O6	C36H54O10	C6H8O6	C5H6O3	H2O
113 C5H5O3	C37H56O13	C7H10O9	C6H8O6	CH4O4	CH2O3

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