MassBank:KOX00860p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Quinoline

IDs and Links
MassBank	Quinoline
CAS	91-22-5
Keio ID	Q008+

Top 10 Similar Molecules of Quinoline

Ranking	About scoring
KOX00811p Score:21.42 KOX00879p Score:17.81 KOX00797p Score:17.81 KOX00381p Score:17.81 KOX00379p Score:17.81 KOX00912p Score:17.42 KOX00809p Score:17.42 KOX00604p Score:14.75 KOX00422p Score:14.37 KOX00763p Score:13.91	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
C9H8N (130)	C7H6N (104)	x
C9H8N (130)	C8H7 (103)	b
C9H8N (130)	C5H4N (78)	c
C9H8N (130)	C6H5 (77)	a

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。

KOX00860p	130 C9H8N	104 C7H6N	103 C8H7	78 C5H4N	77 C6H5	51 C4H3
130 C9H8N
104 C7H6N	C2H2
103 C8H7	CHN
78 C5H4N	C4H4	C2H2
77 C6H5	C3H3N	CHN	C2H2
51 C4H3	C5H5N	C3H3N	C4H4	CHN	C2H2

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