MassBank Record: WA001276



 Labetalol; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001276
RECORD_TITLE: Labetalol; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0910000000-5a49891e3ecf2acb4192 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 106 31 31 107 20 20 116 12 12 119 8 8 120 16 16 127 8 8 132 16 16 133 20 20 134 71 71 135 16 16 136 8 8 144 16 16 147 35 35 148 8 8 162 999 999 163 86 86 164 74 74 165 55 55 179 59 59 180 24 24 184 20 20 185 8 8 190 110 110 191 12 12 203 16 16 207 63 63 208 8 8 252 8 8 294 118 118 295 20 20 311 59 59 312 12 12 329 59 59 330 12 12 351 8 8 //