Ojima:PR100258p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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Glycyrrhizin

IDs and Links
MassBank	Glycyrrhizin
CAS	1405-86-3
Keio ID

Top 10 Similar Molecules of Glycyrrhizin

Ranking	About scoring
G057+ Score:25.74 G075+ Score:12.46	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。

Links

Page list for each fragment
Pages Related to Peak C42H63O16:   G057+   Pages Related to Peak C36H55O10:   G057+   Pages Related to Peak C30H47O4:   G057+  G075+   Pages Related to Peak C30H45O3:   G057+  G075+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00286

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。

PR100258p	823 C42H63O16	647 C36H55O10	471 C30H47O4	453 C30H45O3	435 C30H43O2
823 C42H63O16
647 C36H55O10	C6H8O6
471 C30H47O4	C12H16O12	C6H8O6
453 C30H45O3	C12H18O13	C6H10O7	H2O
435 C30H43O2	C12H20O14	C6H12O8	H4O2	H2O

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