ACCESSION: MSBNK-BAFG-CSL2311094332
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-0a4i-0940000000-7ddf10a7699c022c58d0
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  77.0416 8.7 57
  79.056 3 19
  80.0514 4.4 29
  108.0812 2.4 15
  115.0532 1.8 11
  127.0544 1.8 11
  129.0206 3.9 25
  129.0455 4 26
  135.0921 2.4 15
  139.0545 2 13
  140.0495 7.6 50
  142.0297 20.2 134
  151.0549 26.2 174
  152.0625 36.7 243
  153.0699 32.5 215
  154.0661 2.8 18
  163.0541 10.8 71
  164.0597 6.5 43
  165.07 34.1 226
  166.069 9.1 60
  167.0725 9.9 65
  168.0692 2.6 17
  171.0684 16.4 108
  177.0584 7.5 49
  178.0686 38.9 258
  179.0732 73.4 487
  180.0812 150.4 999
  181.0749 3.6 23
  189.0577 3.7 24
  190.0658 75.5 501
  191.0729 16.2 107
  192.0722 87.6 581
  205.0767 135.6 900
  206.0844 101.2 672
  207.0921 100.2 665
  214.0648 9.9 65
  215.0649 1.9 12
  216.0812 4 26
  231.0918 1.9 12
  240.0694 1.8 11
  241.0763 9.3 61
  242.0849 2.8 18
  243.0887 2.1 13
  258.1031 3.1 20
  281.0948 3.5 23
//