MassBank Record: WA002602



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

ACCESSION: WA002602
RECORD_TITLE: Dehydronifedipine; 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$NAME: Dehydronifedipine CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0kv0-0290000000-f36964505b80ad498ef4 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 115 16 16 128 39 39 129 24 24 130 20 20 140 39 39 141 24 24 142 12 12 143 16 16 152 20 20 153 47 47 154 59 59 155 39 39 156 16 16 157 12 12 166 20 20 167 27 27 168 59 59 169 35 35 170 16 16 179 27 27 180 129 129 181 114 114 182 71 71 183 31 31 184 12 12 190 16 16 193 16 16 194 51 51 195 35 35 196 239 239 197 94 94 198 47 47 206 16 16 207 16 16 208 313 313 209 125 125 210 82 82 211 35 35 212 35 35 224 329 329 225 208 208 226 149 149 227 27 27 234 27 27 235 51 51 236 431 431 237 172 172 238 24 24 240 39 39 241 12 12 252 556 556 253 86 86 254 24 24 256 317 317 257 47 47 267 90 90 268 744 744 269 141 141 270 20 20 284 999 999 285 270 270 286 31 31 345 59 59 346 12 12 //