MassBank Record: WA001037

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Irbesartan; LC-ESI-Q; MS; POS; 75 V
Mass Spectrum
Chemical Structure
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ACCESSION: WA001037
RECORD_TITLE: Irbesartan; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0980000000-c6649d5bca5fbb99c3c9 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 112 16 16 118 12 12 129 12 12 152 43 43 153 74 74 154 12 12 165 31 31 166 16 16 167 86 86 168 12 12 178 98 98 179 106 106 180 470 470 181 71 71 190 149 149 191 102 102 192 353 353 193 43 43 195 118 118 196 43 43 205 168 168 206 357 357 207 999 999 208 223 223 209 16 16 219 20 20 233 16 16 386 20 20 429 35 35 //