MassBank:KOX00846p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pyrazinamide

IDs and Links
MassBank	Pyrazinamide
CAS	98-96-4
Keio ID	P098+

Top 10 Similar Molecules of Pyrazinamide

Ranking	About scoring
KOX00429p Score:21.93 KOX00443p Score:17.22 KOX00111p Score:16.53 KOX00721p Score:12.75 KOX00427p Score:12.75 KOX00780p Score:10.99 KOX00756p Score:10.99 KOX00750p Score:10.99 KOX00746p Score:10.99 KOX00086p Score:10.99	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
C5H6N3O (124)	C5H3N2O (107)	b
C5H6N3O (124)	C4H5N2O (97)	c[d]
C5H6N3O (124)	C4H5N2 (81)	a
C5H6N3O (124)	C4H3N2 (79)	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。

KOX00846p	124 C5H6N3O	107 C5H3N2O	97 C4H5N2O	81 C4H5N2	79 C4H3N2	54 C3H4N	52 C3H2N
124 C5H6N3O
107 C5H3N2O	H3N
97 C4H5N2O	CHN
81 C4H5N2	CHNO		O
79 C4H3N2	CH3NO	CO	H2O	H2
54 C3H4N	C2H2N2O		CHNO	CHN
52 C3H2N	C2H4N2O	C2HNO	CH3NO	CH3N	CHN	H2

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