MassBank Record: WA001319



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

ACCESSION: WA001319
RECORD_TITLE: Atenolol; 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$NAME: Atenolol CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H22N2O3 CH$EXACT_MASS: 266.16304 CH$SMILES: CC(C)NCC(O)COc(c1)ccc(CC(N)=O)c1 CH$IUPAC: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) CH$LINK: CAS 29122-68-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.600 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: splash10-0apj-0900000000-e5cda731260fed38bffd PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 100 31 31 103 74 74 105 274 274 106 357 357 107 737 737 108 39 39 109 12 12 115 196 196 116 184 184 117 341 341 118 20 20 119 247 247 120 8 8 121 282 282 122 71 71 123 8 8 125 8 8 127 12 12 129 12 12 130 39 39 131 39 39 132 12 12 133 654 654 134 243 243 135 59 59 136 24 24 137 16 16 144 16 16 145 999 999 146 110 110 147 110 110 148 24 24 152 31 31 155 8 8 157 8 8 159 8 8 161 16 16 162 67 67 163 27 27 164 63 63 165 8 8 172 12 12 173 31 31 178 71 71 179 8 8 180 8 8 182 16 16 190 78 78 191 8 8 208 24 24 225 12 12 262 8 8 267 98 98 268 8 8 289 20 20 293 8 8 305 39 39 //