ACCESSION: MSBNK-Waters-WA001420
RECORD_TITLE: Losartan; LC-ESI-Q; MS; POS; 45 V, 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Losartan
CH$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 POSITIVE
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 45 V, 60 V

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

PK$SPLASH: splash10-0a4i-0292100000-f6b73a86162426d6f53c
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  115 8 8
  171 98 98
  173 27 27
  178 8 8
  180 24 24
  189 12 12
  190 12 12
  192 94 94
  193 16 16
  195 31 31
  206 12 12
  207 999 999
  208 137 137
  209 12 12
  212 12 12
  233 16 16
  235 98 98
  236 12 12
  258 27 27
  259 8 8
  282 8 8
  294 12 12
  324 16 16
  341 63 63
  342 20 20
  362 20 20
  365 20 20
  377 141 141
  378 27 27
  379 47 47
  380 16 16
  405 78 78
  406 20 20
  407 27 27
  408 8 8
  423 63 63
  424 16 16
  425 24 24
  445 20 20
  461 16 16
  463 8 8
//