MassBank Record: WA001321



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

ACCESSION: WA001321
RECORD_TITLE: Atenolol; 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$NAME: Atenolol CH$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0690000000-61f6046d27063ba28054 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 102 8 8 103 8 8 107 12 12 116 196 196 117 8 8 130 24 24 133 20 20 145 176 176 146 12 12 147 8 8 152 8 8 162 55 55 163 12 12 164 31 31 173 27 27 178 63 63 180 59 59 190 286 286 191 31 31 208 118 118 209 8 8 225 165 165 226 20 20 230 8 8 238 8 8 249 16 16 250 16 16 267 999 999 268 145 145 269 8 8 289 24 24 305 8 8 //