MassBank:KOX00328p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Harman

IDs and Links
MassBank	Harman
CAS	486-84-0
Keio ID	H029+

Top 10 Similar Molecules of Harman

Ranking	About scoring
KOX00866p Score:23.1 KOX00604p Score:20.05 KOX00221p Score:18.24 KOX00879p Score:17.16 KOX00797p Score:17.16 KOX00433p Score:17.16 KOX00912p Score:16.41 KOX00811p Score:16.41 KOX00720p Score:16.41 KOX00236p Score:16.41	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
C12H11N2 (183)	C11H8N2 (168)	b,rad.
C12H11N2 (183)	C10H8N (142)	a
C10H8N (142)	C9H7 (115)	IT

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。

KOX00328p	183 C12H11N2	168 C11H8N2	142 C10H8N	115 C9H7	94 C6H8N	89 C7H5	77 C6H5	65 C5H5	51 C4H3
183 C12H11N2
168 C11H8N2	CH3
142 C10H8N	C2H3N	CN
115 C9H7	C3H4N2	C2HN2	CHN
94 C6H8N	C6H3N	C5N	C4
89 C7H5	C5H6N2	C4H3N2	C3H3N	C2H2
77 C6H5	C6H6N2	C5H3N2	C4H3N	C3H2	H3N	C
65 C5H5	C7H6N2	C6H3N2	C5H3N	C4H2	CH3N	C2	C
51 C4H3	C8H8N2	C7H5N2	C6H5N	C5H4	C2H5N	C3H2	C2H2	CH2

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