Ojima:PR100153p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isobutyryl coenzyme A

IDs and Links
MassBank	Isobutyryl coenzyme A
CAS	15621-60-0
Keio ID

Top 10 Similar Molecules of Isobutyryl coenzyme A

Ranking	About scoring
D082+ Score:5.13 D069+ Score:5.13 D067+ Score:5.13 A020+ Score:5.13 Z002+ Score:5.13 F014+ Score:5.13 A037+ Score:5.13 A007+ Score:5.13	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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Page list for each fragment
Pages Related to Peak C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+

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。

PR100153p	838 C25H43N7O17P3S	428 C10H16N5O10P2	331 C15H27N2O4S	229 C10H17N2O2S	136 C5H6N5
838 C25H43N7O17P3S
428 C10H16N5O10P2	C15H27N2O7PS
331 C15H27N2O4S	C10H16N5O13P3
229 C10H17N2O2S	C15H26N5O15P3		C5H10O2
136 C5H6N5	C20H37N2O17P3S	C5H10O10P2

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