MassBank:KOX00877p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thiabendazole

IDs and Links
MassBank	Thiabendazole
CAS
Keio ID	T028+

Top 10 Similar Molecules of Thiabendazole

Ranking	About scoring
KOX00817p Score:19.14 KOX00840p Score:16.83 KOX00694p Score:15.73 KOX00713p Score:15.39 KOX00647p Score:14.16 KOX00766p Score:13.28 KOX00912p Score:12.99 KOX00879p Score:12.99 KOX00866p Score:12.99 KOX00811p Score:12.99	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
C10H8N3S (202)	C9H7N2S (175)	a
C10H8N3S (202)	C9H7N2 (143)	g
C10H8N3S (202)	C8H7N2 (131)	b
C10H8N3S (202)	C7H6N2 (118)	d,rad.
C10H8N3S (202)	C6H7N (93)	c,rad.
C10H8N3S (202)	C6H6N (92)	c
C10H8N3S (202)	C6H5 (77)	e
C10H8N3S (202)	C5H5 (65)	c+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。

KOX00877p	202 C10H8N3S	175 C9H7N2S	158 C9H8N3	143 C9H7N2	131 C8H7N2	118 C7H6N2	104 C7H6N	93 C6H7N	92 C6H6N	77 C6H5	65 C5H5
202 C10H8N3S
175 C9H7N2S	CHN
158 C9H8N3	CS
143 C9H7N2	CHNS	S	HN
131 C8H7N2	C2HNS	CS	CHN	C
118 C7H6N2	C3H2NS	C2HS	C2H2N	C2H	CH
104 C7H6N	C3H2N2S	C2HNS	C2H2N2	C2HN	CHN	N
93 C6H7N	C4HN2S	C3NS	C3HN2	C3N	C2N
92 C6H6N	C4H2N2S	C3HNS	C3H2N2	C3HN	C2HN	CN	C	H
77 C6H5	C4H3N3S	C3H2N2S	C3H3N3	C3H2N2	C2H2N2	CHN2	CHN	H2N	HN
65 C5H5	C5H3N3S	C4H2N2S	C4H3N3	C4H2N2	C3H2N2	C2HN2	C2HN	CH2N	CHN	C

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