Ojima:KOX00451p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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6-Methylmercaptopurine

IDs and Links
MassBank	6-Methylmercaptopurine
CAS
Keio ID	M104+

Top 10 Similar Molecules of 6-Methylmercaptopurine

Ranking	About scoring
M104+ Score:72.01 M054+ Score:26.36 M074+ Score:20.12 M030+ Score:15.43 Z002+ Score:13.89 H014+ Score:13.89 A007+ Score:13.89 C028+ Score:9.2 M110+ Score:8.76 D082+ Score:8.76	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 C6H7N4S:   M104+   Pages Related to Peak C5H4N4S:   M104+   Pages Related to Peak C6H6N4:   M104+   Pages Related to Peak C4H4N3S:   M054+  M104+   Pages Related to Peak C4H3N3S:   M104+   Pages Related to Peak C5H3N4:   A007+  A037+  F014+  H014+  M054+  M074+  M104+  Z002+  D067+  D069+  D082+  M051+  M110+   Pages Related to Peak C5H4N3:   M074+  M104+   Pages Related to Peak C3H3N2S:   M054+  M104+   Pages Related to Peak C3H2N2S:   M104+   Pages Related to Peak C4H2N3:   A007+  H014+  M054+  M074+  M104+  Z002+  C028+  M030+   Pages Related to Peak C3H3N3:   M104+  M030+   Pages Related to Peak C3H3N2:   A007+  A071+  A136+  A237+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  Z002+  C028+  D067+  D069+  D082+  M030+  M110+  M124+  P049+  P081+  T027+

Annotations

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。

KOX00451p	167 C6H7N4S	152 C5H4N4S	134 C6H6N4	126 C4H4N3S	125 C4H3N3S	119 C5H3N4	106 C5H4N3	99 C3H3N2S	98 C3H2N2S	92 C4H2N3	81 C3H3N3	67 C3H3N2
167 C6H7N4S
152 C5H4N4S	CH3
134 C6H6N4	HS
126 C4H4N3S	C2H3N	CN
125 C4H3N3S	C2H4N	CHN		H
119 C5H3N4	CH4S	HS	CH3
106 C5H4N3	CH3NS	NS	CH2N
99 C3H3N2S	C3H4N2	C2HN2		CHN	CN
98 C3H2N2S	C3H5N2	C2H2N2		CH2N	CHN			H
92 C4H2N3	C2H5NS	CH2NS	C2H4N	H2S	HS	CHN	CH2
81 C3H3N3	C3H4NS	C2HNS	C3H3N	CHS	CS	C2N	C2H
67 C3H3N2	C3H4N2S	C2HN2S	C3H3N2	CHNS	CNS	C2N2	C2HN	S			N

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