MassBank Record: WA001452



 Imidapril; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001452
RECORD_TITLE: Imidapril; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0010900000-a9ab96f46a0e2cf78749 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 100 8 8 102 12 12 104 16 16 117 12 12 122 12 12 130 8 8 134 51 51 199 24 24 208 8 8 209 16 16 234 161 161 235 20 20 332 51 51 333 8 8 362 35 35 406 999 999 407 219 219 408 27 27 428 94 94 429 16 16 444 31 31 //