Ojima:PR100486n

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:6.63 T031+ Score:3.96 T030+ Score:3.96 T008+ Score:3.96 S040+ Score:3.96 Q008+ Score:3.96 P047+ Score:3.96 N016+ Score:3.96 M167+ Score:3.96 M101+ Score:3.96	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 C9H8Cl:   B013+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+

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。

PR100486n	212 C10H11ClNO2	195 C10H8ClO2	183 C9H8ClO2	151 C9H8Cl	139 C8H8Cl	103 C8H7
212 C10H11ClNO2
195 C10H8ClO2	H3N
183 C9H8ClO2	CH3N	C
151 C9H8Cl	CH3NO2	CO2	O2
139 C8H8Cl	C2H3NO2	C2O2	CO2	C
103 C8H7	C2H4ClNO2	C2HClO2	CHClO2	CHCl	HCl

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