MassBank Record: WA002925



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

ACCESSION: WA002925
RECORD_TITLE: 4-Hydroxypropranolol; 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$NAME: 4-Hydroxypropranolol CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H21NO3 CH$EXACT_MASS: 275.15214 CH$SMILES: CC(C)NCC(O)COc(c1)c(c2)c(ccc2)c(O)c1 CH$IUPAC: InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3 CH$LINK: CAS 69499-28-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.200 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: splash10-00vi-0940000000-bcd07ce8f806c3dbefc5 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 100 63 63 102 31 31 105 8 8 113 8 8 116 870 870 117 47 47 129 8 8 132 27 27 133 12 12 134 184 184 143 47 47 145 39 39 153 27 27 157 110 110 159 47 47 160 8 8 161 12 12 171 157 157 173 505 505 174 51 51 175 8 8 181 55 55 184 8 8 185 8 8 187 8 8 197 8 8 199 372 372 200 43 43 214 35 35 215 16 16 216 12 12 234 27 27 258 27 27 276 999 999 277 145 145 278 16 16 //