ACCESSION: MSBNK-Waters-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: 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
//