MassBank Record: WA002603



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

ACCESSION: WA002603
RECORD_TITLE: Dehydronifedipine; 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$NAME: Dehydronifedipine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H16N2O6 CH$EXACT_MASS: 344.10084 CH$SMILES: COC(=O)c(c(C)1)c(c(c2)c(ccc2)[N+1]([O-1])=O)c(C(=O)OC)c(C)n1 CH$IUPAC: InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3 CH$LINK: CAS 67035-22-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.600 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-015a-0192000000-1885c83e6622b3fd17e2 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 129 16 16 140 20 20 152 12 12 154 20 20 166 12 12 168 31 31 169 16 16 180 20 20 181 67 67 182 74 74 183 20 20 193 20 20 194 43 43 195 31 31 196 47 47 197 24 24 198 20 20 200 12 12 208 24 24 209 114 114 210 94 94 211 39 39 212 16 16 224 47 47 225 31 31 226 55 55 227 24 24 235 24 24 236 67 67 237 196 196 238 27 27 240 12 12 241 20 20 252 161 161 253 24 24 254 24 24 256 411 411 257 59 59 267 215 215 268 725 725 269 212 212 270 27 27 284 999 999 285 274 274 286 39 39 345 717 717 346 145 145 347 24 24 //