MassBank Record: WA002924



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

ACCESSION: WA002924
RECORD_TITLE: 4-Hydroxypropranolol; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 69499-28-1 CH$LINK: INCHIKEY CWEPACWBWIOYID-UHFFFAOYSA-N
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 11.200 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00xs-0900000000-46bfc3a7414e212a7299 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 100 568 568 101 24 24 102 106 106 103 51 51 105 294 294 107 8 8 113 16 16 115 161 161 116 999 999 117 188 188 118 16 16 127 12 12 128 227 227 129 129 129 130 20 20 131 180 180 132 20 20 133 114 114 134 67 67 141 27 27 143 329 329 144 20 20 145 439 439 146 27 27 147 24 24 149 16 16 152 31 31 153 282 282 154 16 16 155 47 47 156 8 8 157 231 231 159 290 290 160 200 200 161 98 98 163 8 8 168 8 8 169 31 31 171 458 458 172 35 35 173 862 862 174 94 94 175 8 8 181 161 161 182 24 24 184 43 43 185 27 27 186 20 20 187 31 31 197 16 16 198 16 16 199 313 313 200 82 82 201 8 8 214 67 67 215 12 12 222 8 8 234 12 12 237 12 12 276 447 447 277 63 63 278 8 8 //