MassBank:KOX00779p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Methylcytosine

IDs and Links
MassBank	5-Methylcytosine
CAS	554-01-8
Keio ID	M029+

Top 10 Similar Molecules of 5-Methylcytosine

Ranking	About scoring
KOX00590p Score:22.37 KOX00876p Score:20.76 KOX00793p Score:14.53 KOX00761p Score:14.53 KOX00749p Score:14.53 KOX00684p Score:14.53 KOX00313p Score:14.53 KOX00308p Score:14.53 KOX00136p Score:14.53 KOX00062p Score:14.53	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
C5H8N3O (126)	C5H5N2O (109)	b
C5H8N3O (126)	C5H6N3 (108)	c
C5H8N3O (126)	C4H7N2 (83)	a,-NH3
C5H8N3O (126)	C4H5N2 (81)	a,-NH3

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。

KOX00779p	126 C5H8N3O	109 C5H5N2O	108 C5H6N3	83 C4H7N2	82 C4H4NO	81 C4H5N2	56 C3H6N	54 C3H4N
126 C5H8N3O
109 C5H5N2O	H3N
108 C5H6N3	H2O
83 C4H7N2	CHNO
82 C4H4NO	CH4N2	CHN
81 C4H5N2	CH3NO	CO	CHN	H2
56 C3H6N	C2H2N2O		C2N2	CHN
54 C3H4N	C2H4N2O	C2HNO	C2H2N2	CH3N	CO	CHN	H2

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