Ojima:PR100007p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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(+-)-Baclofen

IDs and Links
MassBank	(+-)-Baclofen
CAS	1134-47-0
Keio ID

Top 10 Similar Molecules of (+-)-Baclofen

Ranking	About scoring
B013+ Score:33.18	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 C10H13ClNO2:   B013+   Pages Related to Peak C10H10ClO2:   B013+   Pages Related to Peak C10H11ClNO:   B013+   Pages Related to Peak C10H8ClO:   B013+   Pages Related to Peak C9H8Cl:   B013+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00674

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。

PR100007p	214 C10H13ClNO2	197 C10H10ClO2	196 C10H11ClNO	179 C10H8ClO	151 C9H8Cl
214 C10H13ClNO2
197 C10H10ClO2	H3N
196 C10H11ClNO	H2O
179 C10H8ClO	H5NO	H2O	H3N
151 C9H8Cl	CH5NO2	CH2O2	CH3NO	CO

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