MassBank Record: WA001451



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

ACCESSION: WA001451
RECORD_TITLE: Imidapril; 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$NAME: Imidapril CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H27N3O6 CH$EXACT_MASS: 405.18999 CH$SMILES: CCOC(=O)C(CCc(c2)cccc2)NC(C)C(=O)N(C(=O)1)C(C(O)=O)CN(C)1 CH$IUPAC: InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1 CH$LINK: CAS 89371-37-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.340 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: splash10-001i-0693400000-26795411dd95a392fd24 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 102 12 12 117 102 102 130 157 157 131 8 8 134 86 86 135 8 8 145 74 74 155 24 24 160 129 129 161 8 8 186 8 8 188 20 20 199 243 243 200 20 20 206 24 24 234 999 999 235 129 129 236 12 12 256 51 51 261 31 31 262 27 27 280 12 12 288 12 12 332 388 388 333 71 71 406 384 384 407 78 78 408 12 12 428 133 133 429 20 20 444 31 31 450 12 12 //