MassBank:KOX00588p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thymidine

IDs and Links
MassBank	Thymidine
CAS	50-89-5
Keio ID	T014+

Top 10 Similar Molecules of Thymidine

Ranking	About scoring
KOX00590p Score:29.83 KOX00799p Score:25.07 KOX00756p Score:19.39 KOX00779p Score:13.16 KOX00526p Score:11.05 KOX00313p Score:11.05 KOX00721p Score:11.02 KOX00256p Score:9.77 KOX00518p Score:8.96 KOX00795p Score:7.63	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
C10H15N2O5 (243)	C5H7N2O2 (127)	b
C10H15N2O5 (243)	C5H9O3 (117)	a
C10H15N2O5 (243)	C5H4NO2 (110)	b,-NH3
C10H15N2O5 (243)	C4H6NO (84)	c
C5H7N2O2 (127)	C5H4NO2 (110)	IT
C5H7N2O2 (127)	C5H5N2O (109)	IT
C5H7N2O2 (127)	C4H6NO (84)	IT
C5H9O3 (117)	C5H7O2 (99)	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。

KOX00588p	243 C10H15N2O5	127 C5H7N2O2	117 C5H9O3	110 C5H4NO2	109 C5H5N2O	99 C5H7O2	84 C4H6NO	81 C4H5N2	73 C3H5O2	69 C4H5O	54 C3H4N
243 C10H15N2O5
127 C5H7N2O2	C5H8O3
117 C5H9O3	C5H6N2O2
110 C5H4NO2	C5H11NO3	H3N
109 C5H5N2O	C5H10O4	H2O
99 C5H7O2	C5H8N2O3	N2	H2O
84 C4H6NO	C6H9NO4	CHNO
81 C4H5N2	C6H10O5	CH2O2			CO
73 C3H5O2	C7H10N2O3	C2H2N2	C2H4O			C2H2
69 C4H5O	C6H10N2O4	CH2N2O	CH4O2		CN2	CH2O	HN
54 C3H4N	C7H11NO5	C2H3NO2		C2O2	C2HNO		CH2O	CHN

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