MassBank:KOX00674p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Baclofen

IDs and Links
MassBank	Baclofen
CAS
Keio ID	B013+

Top 10 Similar Molecules of Baclofen

Ranking	About scoring
KOX00859p Score:20.94 KOX00580p Score:20.94 KOX00359p Score:20.94 KOX00767p Score:20.38 KOX00879p Score:20 KOX00797p Score:20 KOX00604p Score:16.94 KOX00377p Score:16.94 KOX00866p Score:16.71 KOX00807p Score:16.33	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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Annotations

Precursor	Product	Comments
C10H13ClNO2 (214)	C10H10ClO2 (197)	e
C10H13ClNO2 (214)	C10H11ClNO (196)	d
C10H13ClNO2 (214)	C8H9ClN (154)	g
C10H8ClO (179)	C9H8Cl (151)	IT
C10H8ClO (179)	C10H8O (144)	IT
C9H8Cl (151)	C9H8 (116)	IT
C9H8Cl (151)	C9H7 (115)	IT

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。

KOX00674p	214 C10H13ClNO2	197 C10H10ClO2	196 C10H11ClNO	179 C10H8ClO	178 C10H9ClN	158 C7H9ClNO	154 C8H9ClN	151 C9H8Cl	144 C10H8O	141 C7H6ClO	125 C7H6Cl	118 C8H8N	116 C9H8	115 C9H7	95 C6H7O	91 C7H7	77 C6H5	65 C5H5	51 C4H3
214 C10H13ClNO2
197 C10H10ClO2	H3N
196 C10H11ClNO	H2O
179 C10H8ClO	H5NO	H2O	H3N
178 C10H9ClN	H4O2		H2O
158 C7H9ClNO	C3H4O		C3H2
154 C8H9ClN	C2H4O2		C2H2O		C2
151 C9H8Cl	CH5NO2	CH2O2	CH3NO	CO	CHN
144 C10H8O	H5ClNO	H2ClO	H3ClN	Cl
141 C7H6ClO	C3H7NO	C3H4O	C3H5N	C3H2		H3N
125 C7H6Cl	C3H7NO2	C3H4O2	C3H5NO	C3H2O	C3H3N	H3NO	CH3N	C2H2		O
118 C8H8N	C2H5ClO2		C2H3ClO		C2HCl		HCl
116 C9H8	CH5ClNO2	CH2ClO2	CH3ClNO	CClO	CHClN			Cl	CO
115 C9H7	CH6ClNO2	CH3ClO2	CH4ClNO	CHClO	CH2ClN			HCl	CHO				H
95 C6H7O	C4H6ClNO	C4H3ClO	C4H4ClN	C4HCl		CH2ClN			C4H
91 C7H7	C3H6ClNO2	C3H3ClO2	C3H4ClNO	C3HClO	C3H2ClN	H2ClNO	CH2ClN	C2HCl	C3HO			CHN	C2H	C2
77 C6H5	C4H8ClNO2	C4H5ClO2	C4H6ClNO	C4H3ClO	C4H4ClN	CH4ClNO	C2H4ClN	C3H3Cl	C4H3O	CHClO	CHCl	C2H3N	C3H3	C3H2	H2O	CH2
65 C5H5	C5H8ClNO2	C5H5ClO2	C5H6ClNO	C5H3ClO	C5H4ClN	C2H4ClNO	C3H4ClN	C4H3Cl	C5H3O	C2HClO	C2HCl	C3H3N	C4H3	C4H2	CH2O	C2H2	C
51 C4H3	C6H10ClNO2	C6H7ClO2	C6H8ClNO	C6H5ClO	C6H6ClN	C3H6ClNO	C4H6ClN	C5H5Cl	C6H5O	C3H3ClO	C3H3Cl	C4H5N	C5H5	C5H4	C2H4O	C3H4	C2H2	CH2

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