MassBank Record: WA000604



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

ACCESSION: WA000604
RECORD_TITLE: Verapamil; 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$NAME: Verapamil CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H38N2O4 CH$EXACT_MASS: 454.28316 CH$SMILES: c(c2OC)(OC)ccc(c2)C(CCCN(C)CCc(c1)cc(OC)c(OC)c1)(C(C)C)C#N CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 CH$LINK: CAS 52-53-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.740 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: splash10-014i-0900000000-94904b212c8a2420ed8a PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 103 12 12 105 82 82 107 12 12 110 8 8 118 8 8 120 12 12 121 12 12 122 27 27 133 63 63 134 35 35 135 47 47 136 12 12 137 12 12 138 8 8 139 12 12 150 306 306 151 71 71 152 12 12 165 999 999 166 86 86 177 31 31 191 8 8 198 8 8 218 20 20 243 8 8 245 8 8 260 74 74 261 43 43 303 114 114 304 20 20 455 63 63 456 16 16 //