MassBank Record: KO008870



 (+-)-Baclofen; LC-ESI-IT; MS3; m/z: 214/179; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008870
RECORD_TITLE: (+-)-Baclofen; LC-ESI-IT; MS3; m/z: 214/179; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B013
COMMENT: [MS2] KO008869

CH$NAME: Baclofen CH$NAME: (+-)-Baclofen CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12ClNO2 CH$EXACT_MASS: 213.05566 CH$SMILES: NCC(CC(O)=O)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14) CH$LINK: KEGG C06841 CH$LINK: PUBCHEM 9059 CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 214/179 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0f6x-0900000000-326ef16d6209a119d0c6 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 86.8 27.01 61 87.8 7.54 17 88.8 14.54 33 90.1 6.08 14 95.2 3.76 8 113.1 1.92 4 115.1 42.20 95 132.9 3.69 8 135.1 16.21 36 143.1 62.30 140 144.1 445.39 999 145.1 12.30 28 149.1 5.38 12 151.0 263.52 591 152.0 2.69 6 159.1 3.46 8 161.0 5.62 13 178.7 6.16 14 180.0 76.92 173 //