MassBank Record: WA002923



 4-Hydroxypropranolol; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002923
RECORD_TITLE: 4-Hydroxypropranolol; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-016r-0900000000-896e5f002bf381ad388f PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 100 266 266 101 16 16 102 51 51 103 333 333 105 744 744 106 35 35 115 999 999 116 223 223 117 552 552 118 157 157 121 12 12 127 67 67 128 787 787 129 208 208 131 458 458 132 74 74 133 110 110 134 16 16 141 78 78 142 24 24 143 192 192 144 157 157 145 666 666 146 67 67 147 12 12 149 8 8 152 294 294 153 317 317 154 20 20 155 121 121 156 59 59 157 102 102 158 8 8 159 153 153 160 200 200 161 86 86 162 8 8 163 8 8 168 67 67 169 43 43 170 12 12 171 157 157 172 63 63 173 313 313 174 43 43 181 110 110 182 12 12 184 71 71 185 12 12 186 20 20 187 12 12 194 8 8 197 12 12 198 16 16 199 31 31 200 24 24 207 12 12 214 16 16 276 498 498 277 55 55 290 12 12 //