MassBank Record: WA001038



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

ACCESSION: WA001038
RECORD_TITLE: Irbesartan; 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$NAME: Irbesartan CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H28N6O CH$EXACT_MASS: 428.23246 CH$SMILES: CCCCC(=N1)N(Cc(c5)ccc(c5)c(c4)c(ccc4)c(n3)nnn3)C(=O)C(C2)(CCC2)1 CH$IUPAC: InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) CH$LINK: CAS 138402-11-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.000 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: splash10-0a4i-0490000000-73e65fa517b2ecac3cef PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 112 20 20 167 67 67 178 24 24 179 16 16 180 94 94 181 16 16 190 24 24 191 12 12 192 82 82 193 12 12 195 364 364 196 43 43 206 59 59 207 999 999 208 306 306 209 20 20 240 24 24 386 71 71 387 16 16 429 55 55 430 12 12 //