MassBank Record: WA001038

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Irbesartan; LC-ESI-Q; MS; POS; 60 V
Mass Spectrum
Chemical Structure
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ACCESSION: WA001038
RECORD_TITLE: Irbesartan; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Irbesartan CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H28N6O CH$EXACT_MASS: 428.23246 CH$SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 CH$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$LINK: CAS 138402-11-6 CH$LINK: INCHIKEY YOSHYTLCDANDAN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023169
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 16.000 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$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 //