MassBank Record: WA001277



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

ACCESSION: WA001277
RECORD_TITLE: Labetalol; 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$NAME: Labetalol CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H24N2O3 CH$EXACT_MASS: 328.17869 CH$SMILES: CC(CCc(c2)cccc2)NCC(O)c(c1)cc(C(N)=O)c(O)c1 CH$IUPAC: InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) CH$LINK: CAS 36894-69-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.000 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: splash10-03di-0956000000-b8df5142ecad9ca28a87 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 116 16 16 127 8 8 132 12 12 133 59 59 134 8 8 136 8 8 147 12 12 148 8 8 162 999 999 163 78 78 164 188 188 165 24 24 177 20 20 179 353 353 180 47 47 184 161 161 185 12 12 190 188 188 191 16 16 203 12 12 207 560 560 208 63 63 220 16 16 221 16 16 225 8 8 252 12 12 266 12 12 287 16 16 294 599 599 295 110 110 296 12 12 311 979 979 312 223 223 313 27 27 329 223 223 330 47 47 351 24 24 367 8 8 //