MassBank Record: WA001615



 Bupropion; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001615
RECORD_TITLE: Bupropion; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Bupropion CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H18ClNO CH$EXACT_MASS: 239.10769 CH$SMILES: CC(C)(C)NC(C)C(=O)c(c1)cc(Cl)cc1 CH$IUPAC: InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 CH$LINK: CAS 34911-55-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.170 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00lr-0900000000-25738eaae038c487371f PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 103 59 59 130 31 31 131 999 999 132 110 110 133 8 8 139 251 251 140 20 20 141 82 82 148 8 8 166 462 462 167 278 278 168 176 176 169 86 86 170 8 8 184 153 153 185 16 16 186 47 47 187 8 8 //