MassBank Record: WA001899



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

ACCESSION: WA001899
RECORD_TITLE: Nadolol; 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$NAME: Nadolol CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H27NO4 CH$EXACT_MASS: 309.19401 CH$SMILES: OC(CNC(C)(C)C)COc(c2)c(C1)c(cc2)CC(O)C(O)1 CH$IUPAC: InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1 CH$LINK: CAS 42200-33-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 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: splash10-00kb-0900000000-88a7c2ef765d8cc137c3 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 103 67 67 105 133 133 107 204 204 108 8 8 115 454 454 116 35 35 117 521 521 118 35 35 119 157 157 120 12 12 121 8 8 127 31 31 128 286 286 129 313 313 130 16 16 131 317 317 132 180 180 133 313 313 134 20 20 135 74 74 141 63 63 143 243 243 144 106 106 145 999 999 146 63 63 147 607 607 148 51 51 149 27 27 153 118 118 154 24 24 155 302 302 156 39 39 157 219 219 158 24 24 159 329 329 160 59 59 161 71 71 162 12 12 163 20 20 165 55 55 166 8 8 168 51 51 169 12 12 170 8 8 171 443 443 172 63 63 173 82 82 174 20 20 175 51 51 183 349 349 184 27 27 186 16 16 201 423 423 202 39 39 218 12 12 236 102 102 237 8 8 254 153 153 255 16 16 310 415 415 311 47 47 332 55 55 348 12 12 //