MassBank:KOX00805p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Methylmercaptobenzothiazole

IDs and Links
MassBank	2-Methylmercaptobenzothiazole
CAS	615-22-5
Keio ID	M150+

Top 10 Similar Molecules of 2-Methylmercaptobenzothiazole

Ranking	About scoring
KOX00853p Score:9.52 KOX00912p Score:9.24 KOX00886p Score:9.24 KOX00840p Score:9.24 KOX00811p Score:9.24 KOX00809p Score:9.24 KOX00766p Score:9.24 KOX00720p Score:9.24 KOX00713p Score:9.24 KOX00697p Score:9.24	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

Annotations

Precursor	Product	Comments
C8H8NS2 (182)	C7H5NS2 (167)	b,rad.
C8H8NS2 (182)	C7H4NS2 (166)	b
C8H8NS2 (182)	C7H5NS (135)	e,rad.
C8H8NS2 (182)	C6H5NS (123)	f,rad.
C8H8NS2 (182)	C6H5S (109)	a
C8H8NS2 (182)	C6H4S (108)	a,rad.
C8H8NS2 (182)	C6H8N (94)	c
C8H8NS2 (182)	C6H5N (91)	c,rad.
C8H8NS2 (182)	C6H5 (77)	d
C8H8NS2 (182)	C5H5 (65)	g[h]

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。

KOX00805p	182 C8H8NS2	167 C7H5NS2	166 C7H4NS2	140 C6H4S2	135 C7H5NS	123 C6H5NS	109 C6H5S	108 C6H4S	96 C5H4S	94 C6H8N	91 C6H5N	77 C6H5	65 C5H5
182 C8H8NS2
167 C7H5NS2	CH3
166 C7H4NS2	CH4	H
140 C6H4S2	C2H4N	CHN	CN
135 C7H5NS	CH3S	S
123 C6H5NS	C2H3S	CS			C
109 C6H5S	C2H3NS	CNS			CN	N
108 C6H4S	C2H4NS	CHNS	CNS	S	CHN	HN	H
96 C5H4S	C3H4NS	C2HNS	C2NS	CS	C2HN	CHN	CH	C
94 C6H8N	C2S2
91 C6H5N	C2H3S2	CS2			CS	S				H3
77 C6H5	C2H3NS2	CNS2			CNS	NS	S			H3N	N
65 C5H5	C3H3NS2	C2NS2			C2NS	CNS	CS			CH3N	CN	C

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