MassBank:KOX00878p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tolazoline

IDs and Links
MassBank	Tolazoline
CAS
Keio ID	T030+

Top 10 Similar Molecules of Tolazoline

Ranking	About scoring
KOX00879p Score:27.04 KOX00604p Score:25.94 KOX00811p Score:22.65 KOX00797p Score:20.4 KOX00912p Score:18.65 KOX00866p Score:18.65 KOX00872p Score:16.73 KOX00485p Score:16.5 KOX00377p Score:16.5 KOX00809p Score:16.4	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
C10H13N2 (161)	C9H10N (132)	c
C10H13N2 (161)	C8H8N (118)	d
C10H13N2 (161)	C8H7 (103)	e
C10H13N2 (161)	C7H7 (91)	a
C10H13N2 (161)	C6H5 (77)	b
C10H13N2 (161)	C5H5 (65)	f

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。

KOX00878p	161 C10H13N2	132 C9H10N	118 C8H8N	104 C7H6N	103 C8H7	91 C7H7	77 C6H5	65 C5H5	54 C3H4N	44 C2H6N
161 C10H13N2
132 C9H10N	CH3N
118 C8H8N	C2H5N	CH2
104 C7H6N	C3H7N	C2H4	CH2
103 C8H7	C2H6N2	CH3N	HN
91 C7H7	C3H6N2	C2H3N	CHN		C
77 C6H5	C4H8N2	C3H5N	C2H3N	CHN	C2H2	CH2
65 C5H5	C5H8N2	C4H5N	C3H3N	C2HN	C3H2	C2H2	C
54 C3H4N	C7H9N	C6H6	C5H4	C4H2
44 C2H6N	C8H7N	C7H4	C6H2	C5

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