MassBank:KOX00802p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Methylpyrazole

IDs and Links
MassBank	4-Methylpyrazole
CAS	7554-65-6
Keio ID	M124+

Top 10 Similar Molecules of 4-Methylpyrazole

Ranking	About scoring
KOX00876p Score:14.95 KOX00684p Score:14.95 KOX00420p Score:13.32 KOX00750p Score:11.63 KOX00086p Score:11.63 KOX00799p Score:11.41 KOX00780p Score:11.41 KOX00443p Score:11.41 KOX00111p Score:11.41 KOX00793p Score:10.84	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
C4H7N2 (83)	C3H4N2 (68)	a,rad.
C4H7N2 (83)	C3H3N2 (67)	a
C4H7N2 (83)	C3H6N (56)	b
C4H7N2 (83)	C3H4N (54)	b
C4H7N2 (83)	C3H2N (52)	b

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。

KOX00802p	83 C4H7N2	68 C3H4N2	67 C3H3N2	56 C3H6N	54 C3H4N	52 C3H2N
83 C4H7N2
68 C3H4N2	CH3
67 C3H3N2	CH4	H
56 C3H6N	CHN
54 C3H4N	CH3N	N		H2
52 C3H2N	CH5N	H2N	HN	H4	H2

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