MassBank Record: KO002455



 (+-)-Baclofen; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002455
RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B013

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$LINK: PUBCHEM SID:9059 CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 214 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-72d6d878c9c2f29d846a PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 43.200 14851.5 4 50.000 24752.5 6 57.100 84158.5 20 69.000 74257.5 18 70.600 29703.0 7 72.100 24752.5 6 74.800 9901.0 2 76.800 24752.5 6 79.500 24752.5 6 81.300 386139.0 92 82.800 39604.0 9 84.700 39604.0 9 85.200 34653.5 8 87.800 14851.5 4 91.400 54455.5 13 93.000 54455.5 13 95.000 128713.0 31 102.800 14851.5 4 105.000 153465.5 37 105.400 24752.5 6 107.200 59406.0 14 108.900 79208.0 19 113.200 202970.5 48 115.400 777228.5 185 116.300 608911.5 145 118.100 84158.5 20 119.400 267327.0 64 120.400 108911.0 26 121.100 39604.0 9 122.400 44554.5 11 125.000 262376.5 63 127.400 29703.0 7 133.000 143564.5 34 134.900 14851.5 4 137.300 138614.0 33 139.300 14851.5 4 141.000 29703.0 7 143.200 232673.5 56 144.100 925743.5 221 148.800 34653.5 8 149.700 24752.5 6 151.100 4188123.0 999 153.900 163366.5 39 155.200 212871.5 51 161.300 153465.5 37 161.900 14851.5 4 166.100 143564.5 34 178.100 217822.0 52 179.100 445545.0 106 182.100 44554.5 11 196.000 103960.5 25 197.200 138614.0 33 214.300 49505.0 12 //