Ojima:PR100311p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5'-Deoxy-5'-Methylthioadenosine

IDs and Links
MassBank	5'-Deoxy-5'-Methylthioadenosine
CAS	2457-80-9
Keio ID

Top 10 Similar Molecules of 5'-Deoxy-5'-Methylthioadenosine

Ranking	About scoring
D067+ Score:16.05 A020+ Score:11.36 D082+ Score:9.82 D069+ Score:9.82 Z002+ Score:9.82 F014+ Score:9.82 A037+ Score:9.82 A007+ Score:9.82 M110+ Score:4.69 M051+ Score:4.69	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 C11H16N5O3S:   A020+  D067+   Pages Related to Peak C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+   Pages Related to Peak C5H3N4:   A007+  A037+  F014+  H014+  M054+  M074+  M104+  Z002+  D067+  D069+  D082+  M051+  M110+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00707

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。

PR100311p	298 C11H16N5O3S	136 C5H6N5	119 C5H3N4
298 C11H16N5O3S
136 C5H6N5	C6H10O3S
119 C5H3N4	C6H13NO3S	H3N

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