MassBank:KOX00696p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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g-Butyrobetaine

IDs and Links
MassBank	g-Butyrobetaine
CAS	407-64-7
Keio ID	C220+

Top 10 Similar Molecules of g-Butyrobetaine

Ranking	About scoring
KOX00644p Score:20.74 KOX00039p Score:14.11 KOX00884p Score:9.31 KOX00709p Score:9.31 KOX00681p Score:9.31 KOX00680p Score:9.31 KOX00838p Score:8.72 KOX00688p Score:8.72 KOX00686p Score:8.72 KOX00662p Score:5.38	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 C7H16NO2:   KOX00644p   Pages Related to Peak C4H7O2:   KOX00002p  KOX00039p  KOX00251p  KOX00276p  KOX00644p  KOX00662p   Pages Related to Peak C3H10N:   KOX00039p  KOX00593p  KOX00644p  KOX00659p  KOX00686p  KOX00688p  KOX00741p  KOX00838p   Pages Related to Peak C3H9N:   KOX00680p  KOX00681p  KOX00709p  KOX00884p   Pages Related to Peak C3H8N:   KOX00039p  KOX00059p  KOX00113p  KOX00131p  KOX00215p  KOX00335p  KOX00343p  KOX00364p  KOX00464p  KOX00642p  KOX00644p  KOX00648p  KOX00654p  KOX00655p  KOX00661p  KOX00665p  KOX00679p  KOX00680p  KOX00681p  KOX00682p  KOX00685p  KOX00686p  KOX00688p  KOX00699p  KOX00700p  KOX00709p  KOX00744p  KOX00754p  KOX00755p  KOX00762p  KOX00771p  KOX00796p  KOX00798p  KOX00838p  KOX00856p  KOX00861p  KOX00862p  KOX00875p  KOX00884p  KOX00895p  KOX00908p

Annotations

Precursor	Product	Comments
C7H16NO2 (146)	C4H7O2 (87)	a
C7H16NO2 (146)	C3H10N (60)	b
C7H16NO2 (146)	C3H9N (59)	b,rad.
C7H16NO2 (146)	C3H8N (58)	b

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。

KOX00696p	146 C7H16NO2	87 C4H7O2	60 C3H10N	59 C3H9N	58 C3H8N
146 C7H16NO2
87 C4H7O2	C3H9N
60 C3H10N	C4H6O2
59 C3H9N	C4H7O2		H
58 C3H8N	C4H8O2		H2	H

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