Ojima:KOX00376n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Indolebutyrate

IDs and Links
MassBank	3-Indolebutyrate
CAS	133-32-4
Keio ID	I025-

Top 10 Similar Molecules of 3-Indolebutyrate

Ranking	About scoring
I025+ Score:6.63 S041+ Score:5.72 A123+ Score:5.72 A036+ Score:5.72 A035+ Score:5.72 T054+ Score:5.72 M127+ Score:5.72 M053+ Score:5.72 H029+ Score:5.72	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 C11H12N:   I025+   Pages Related to Peak C10H8N:   H029+  M053+  T054+  S041+   Pages Related to Peak C8H6N:   M127+  A035+  A036+  A123+

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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。

KOX00376n	202 C12H12NO2	158 C11H12N	142 C10H8N	129 C9H7N	116 C8H6N	59 C2H3O2
202 C12H12NO2
158 C11H12N	CO2
142 C10H8N	C2H4O2	CH4
129 C9H7N	C3H5O2	C2H5	CH
116 C8H6N	C4H6O2	C3H6	C2H2	CH
59 C2H3O2	C10H9N

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