Ojima: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
M054+ Score:40.04 M104+ Score:20.12 Z002+ Score:13.89 M074+ Score:13.89 H014+ Score:13.89 A007+ Score:13.89 M030+ Score:9.2 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 C5H5N4S:   M054+   Pages Related to Peak C5H2N3S:   M054+   Pages Related to Peak C4H4N3S:   M054+  M104+   Pages Related to Peak C5H3N4:   A007+  A037+  F014+  H014+  M054+  M074+  M104+  Z002+  D067+  D069+  D082+  M051+  M110+   Pages Related to Peak C4H2N3:   A007+  H014+  M054+  M074+  M104+  Z002+  C028+  M030+   Pages Related to Peak C2H2NS:   M054+   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。

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

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