MassBank:KOX00763p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isoquinoline

IDs and Links
MassBank	Isoquinoline
CAS	119-65-3
Keio ID	I067+

Top 10 Similar Molecules of Isoquinoline

[show] Ranking	About scoring
KOX00879p Score:13.91 KOX00860p Score:13.91 KOX00811p Score:13.91 KOX00797p Score:13.91 KOX00738p Score:13.91 KOX00381p Score:13.91 KOX00379p Score:13.91 KOX00374p Score:13.91 KOX00604p Score:10.86 KOX00445p Score:10.86	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)	C8H7 (103)	b
C9H8N (130)	C6H5 (77)	a

Precursor-Product Relationship

[show] 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。

[hide] KOX00763p	130 C9H8N	103 C8H7	77 C6H5	51 C4H3
130 C9H8N
103 C8H7	CHN
77 C6H5	C3H3N	C2H2
51 C4H3	C5H5N	C4H4	C2H2

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