MassBank:KOX00590p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thymine

IDs and Links
MassBank	Thymine
CAS	65-71-4
Keio ID	T015+

Top 10 Similar Molecules of Thymine

Ranking	About scoring
KOX00588p Score:29.83 KOX00779p Score:22.37 KOX00756p Score:19.39 KOX00746p Score:13.85 KOX00721p Score:11.02 KOX00254p Score:10.31 KOX00911p Score:10.2 KOX00876p Score:10.2 KOX00803p Score:10.2 KOX00793p Score:10.2	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
C5H7N2O2 (127)	C5H4NO2 (110)	-NH3
C5H7N2O2 (127)	C5H5N2O (109)	-H2O
C5H7N2O2 (127)	C4H7N2O (99)	d[e]
C5H7N2O2 (127)	C4H6NO (84)	a[b]
C5H7N2O2 (127)	C4H4NO (82)	a[b]
C5H7N2O2 (127)	C3H6N (56)	c
C5H7N2O2 (127)	C3H4N (54)	c

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。

KOX00590p	127 C5H7N2O2	110 C5H4NO2	109 C5H5N2O	99 C4H7N2O	84 C4H6NO	82 C4H4NO	81 C4H5N2	56 C3H6N	54 C3H4N
127 C5H7N2O2
110 C5H4NO2	H3N
109 C5H5N2O	H2O
99 C4H7N2O	CO
84 C4H6NO	CHNO			HN
82 C4H4NO	CH3NO	CO	CHN	H3N	H2
81 C4H5N2	CH2O2		CO	H2O
56 C3H6N	C2HNO2			CHNO	CO
54 C3H4N	C2H3NO2	C2O2	C2HNO	CH3NO	CH2O	CO	CHN	H2

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