ACCESSION: MSBNK-Waters-WA001423
RECORD_TITLE: Losartan; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Losartan
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₃ClN₆O
CH$EXACT_MASS: 422.16219
CH$SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl
CH$IUPAC: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
CH$LINK: CAS 114798-26-4
CH$LINK: INCHIKEY PSIFNNKUMBGKDQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023227

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.680 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 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00di-0000900000-b29a5b1fbb325a2f0c07
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  120 8 8
  167 8 8
  187 8 8
  190 8 8
  197 8 8
  205 8 8
  214 8 8
  225 8 8
  227 8 8
  241 8 8
  247 8 8
  274 8 8
  316 8 8
  340 8 8
  350 8 8
  360 8 8
  374 8 8
  391 8 8
  421 999 999
  422 259 259
  423 345 345
  424 71 71
  468 8 8
  479 12 12
//