MassBank:KOX00803p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Mercapto-1-methylimidazole

IDs and Links
MassBank	2-Mercapto-1-methylimidazole
CAS
Keio ID	M126+

Top 10 Similar Molecules of 2-Mercapto-1-methylimidazole

Ranking	About scoring
KOX00176p Score:12.86 KOX00911p Score:10.2 KOX00876p Score:10.2 KOX00793p Score:10.2 KOX00779p Score:10.2 KOX00761p Score:10.2 KOX00749p Score:10.2 KOX00684p Score:10.2 KOX00590p Score:10.2 KOX00313p Score:10.2	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
C4H7N2S (115)	C3H4N2S (100)	a,rad.
C4H7N2S (115)	C4H5N2 (81)	b
C4H7N2S (115)	C2H4NS (74)	c
C4H7N2S (115)	C3H6N (56)	d
C4H7N2S (115)	C3H4N (54)	d

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。

KOX00803p	115 C4H7N2S	100 C3H4N2S	88 C3H6NS	81 C4H5N2	74 C2H4NS	59 C2H3S	57 C3H7N	56 C3H6N	54 C3H4N
115 C4H7N2S
100 C3H4N2S	CH3
88 C3H6NS	CHN
81 C4H5N2	H2S
74 C2H4NS	C2H3N	CN	CH2
59 C2H3S	C2H4N2	CHN2	CH3N		HN
57 C3H7N	CNS
56 C3H6N	CHNS		S				H
54 C3H4N	CH3NS	NS	H2S	CHN			H3	H2

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