MassBank:KOX00435p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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6-Mercaptopurine

IDs and Links
MassBank	6-Mercaptopurine
CAS	50-44-2
Keio ID	M054+

Top 10 Similar Molecules of 6-Mercaptopurine

Ranking	About scoring
KOX00451p Score:31.43 KOX00633p Score:18.16 KOX00443p Score:18.16 KOX00315p Score:18.16 KOX00004p Score:18.16 KOX00780p Score:13.39 KOX00799p Score:12.91 KOX00711p Score:12.91 KOX00708p Score:12.91 KOX00707p Score:12.91	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。

Links

Page list for each fragment

Pages Related to Peak C4H4N3S:   KOX00451p   Pages Related to Peak C5H3N4:   KOX00004p  KOX00027p  KOX00245p  KOX00315p  KOX00443p  KOX00451p  KOX00633p  KOX00707p  KOX00708p  KOX00711p  KOX00787p  KOX00799p   Pages Related to Peak C3H3N2S:   KOX00451p   Pages Related to Peak C4H4N3:   KOX00004p  KOX00054p  KOX00111p  KOX00145p  KOX00174p  KOX00197p  KOX00245p  KOX00315p  KOX00420p  KOX00427p  KOX00429p  KOX00443p  KOX00451p  KOX00526p  KOX00631p  KOX00633p  KOX00707p  KOX00708p  KOX00711p  KOX00721p  KOX00780p  KOX00787p  KOX00799p  KOX00829p  KOX00841p  KOX00876p   Pages Related to Peak C4H2N3:   KOX00004p  KOX00315p  KOX00443p  KOX00451p  KOX00633p  KOX00684p  KOX00780p   Pages Related to Peak C3H3N2:   KOX00004p  KOX00054p  KOX00081p  KOX00111p  KOX00174p  KOX00197p  KOX00245p  KOX00315p  KOX00420p  KOX00427p  KOX00429p  KOX00443p  KOX00451p  KOX00633p  KOX00684p  KOX00707p  KOX00708p  KOX00711p  KOX00780p  KOX00799p  KOX00802p  KOX00829p  KOX00841p  KOX00876p

Annotations

Precursor	Product	Comments
C5H5N4S (153)	C5H2N3S (136)	-NH3
C5H5N4S (153)	C4H4N3S (126)	c[d]
C5H5N4S (153)	C5H3N4 (119)	a
C5H5N4S (153)	C4H4N3 (94)	b
C5H5N4S (153)	C4H2N3 (92)	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。

KOX00435p	153 C5H5N4S	136 C5H2N3S	126 C4H4N3S	119 C5H3N4	99 C3H3N2S	94 C4H4N3	92 C4H2N3	72 C2H2NS	67 C3H3N2
153 C5H5N4S
136 C5H2N3S	H3N
126 C4H4N3S	CHN
119 C5H3N4	H2S
99 C3H3N2S	C2H2N2		CHN
94 C4H4N3	CHNS		S
92 C4H2N3	CH3NS	CS	H2S	CHN		H2
72 C2H2NS	C3H3N3	C3N2	C2H2N2		CHN
67 C3H3N2	C2H2N2S		CHNS	C2N2	S	CHN

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