ACCESSION: MSBNK-BAFG-CSL2311094336
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 70 V
DATE: 2023.11.09
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Losartan
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₂₂H₂₃ClN₆O
CH$EXACT_MASS: 422.1622
CH$SMILES: CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl
CH$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

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 9.819 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 423.1695
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-0a6u-0930000000-0397e15b1ada62ab89b0
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  77.0407 9.9 73
  79.0555 1.4 10
  80.0511 5.1 37
  102.0108 1.8 13
  108.0793 1.5 11
  115.0533 3.2 23
  127.0537 4 29
  128.052 2.3 17
  129.0206 1.6 11
  129.044 2.9 21
  139.0542 3.8 28
  140.0488 9 66
  142.029 15.5 114
  150.0467 1.6 11
  151.0542 33.9 251
  152.0617 53.5 396
  153.069 28.6 211
  154.0655 3.7 27
  163.0536 16.8 124
  164.0568 11.8 87
  165.0689 45.5 336
  166.0652 8.1 59
  167.0716 9.4 69
  168.0691 1.8 13
  171.0664 5.5 40
  177.057 10.2 75
  178.0657 40.4 299
  179.0723 56.6 419
  180.0801 83.3 616
  181.0751 3 22
  189.0557 6.9 51
  190.0649 64.8 479
  191.0709 16.2 119
  192.0697 57.1 422
  205.0755 134.9 999
  206.0833 47.2 349
  207.0911 27 199
  214.0646 9.2 68
  215.0578 2.3 17
  216.0792 2.4 17
  241.0749 3.4 25
  242.0798 1.6 11
//