MassBank Record: WA002653



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

ACCESSION: WA002653
RECORD_TITLE: Omeprazole; LC-ESI-Q; MS; POS; 60 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$NAME: Omeprazole CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H19N3O3S CH$EXACT_MASS: 345.11471 CH$SMILES: COc(c3)cc(n1)c(c3)nc1S(=O)Cc(n2)c(C)c(OC)c(C)c2 CH$IUPAC: InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) CH$LINK: CAS 73590-58-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.190 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0fe0-0900000000-e0a9180ce3eb5094f4ac PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 105 12 12 106 106 106 107 20 20 108 196 196 109 16 16 118 74 74 120 294 294 121 251 251 122 161 161 123 24 24 134 59 59 136 999 999 137 94 94 138 12 12 150 247 247 151 110 110 152 149 149 153 12 12 154 12 12 165 67 67 166 63 63 167 12 12 168 78 78 179 102 102 180 227 227 181 71 71 190 39 39 191 31 31 198 78 78 220 12 12 368 35 35 384 31 31 //