MassBank:KOX00761p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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b-Imidazolelactate

IDs and Links
MassBank	b-Imidazolelactate
CAS
Keio ID	I053+

Top 10 Similar Molecules of b-Imidazolelactate

Ranking	About scoring
KOX00749p Score:26.3 KOX00308p Score:20.07 KOX00056p Score:20.07 KOX00750p Score:17.08 KOX00876p Score:14.53 KOX00793p Score:14.53 KOX00779p Score:14.53 KOX00684p Score:14.53 KOX00313p Score:14.53 KOX00136p Score:14.53	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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Annotations

Precursor	Product	Comments
C6H9N2O3 (157)	C5H7N2O (111)	a
C6H9N2O3 (157)	C4H7N2 (83)	b
C6H9N2O3 (157)	C4H6N2 (82)	b,rad.
C6H9N2O3 (157)	C4H5N2 (81)	b
C5H7N2O (111)	C4H7N2 (83)	IT
C5H7N2O (111)	C4H6N2 (82)	IT

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。

KOX00761p	157 C6H9N2O3	111 C5H7N2O	83 C4H7N2	82 C4H6N2	81 C4H5N2	56 C3H6N	55 C3H5N	54 C3H4N
157 C6H9N2O3
111 C5H7N2O	CH2O2
83 C4H7N2	C2H2O3	CO
82 C4H6N2	C2H3O3	CHO	H
81 C4H5N2	C2H4O3	CH2O	H2	H
56 C3H6N	C3H3NO3	C2HNO	CHN	CN
55 C3H5N	C3H4NO3	C2H2NO	CH2N	CHN	CN	H
54 C3H4N	C3H5NO3	C2H3NO	CH3N	CH2N	CHN	H2	H

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