ACCESSION: MSBNK-BAFG-CSL2311094341
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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$SPLASH: splash10-0zi3-0920000000-9f53387b021e82e51568
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  77.0416 12.7 78
  80.0514 4.6 28
  102.0341 2.1 13
  115.0547 5.1 31
  127.0542 7.7 47
  128.0488 2.5 15
  128.0606 1.7 10
  129.0445 2.4 14
  138.0471 2.5 15
  139.0544 7.4 45
  140.0499 16.6 102
  141.0589 2.3 14
  142.0298 12.6 78
  150.0469 5.3 32
  151.0549 54.8 339
  152.0625 95.7 593
  153.0697 26.9 166
  154.0664 4.4 27
  163.0545 24.1 149
  164.0556 24.1 149
  165.07 61.6 381
  166.0661 10.1 62
  167.0731 8.9 55
  168.0693 2.1 13
  171.0666 2.1 13
  176.0564 3.3 20
  177.0583 21 130
  178.0667 49.6 307
  179.0734 50.3 311
  180.0806 53.1 329
  181.0764 2.7 16
  188.0502 2.8 17
  189.0575 9.6 59
  190.0655 64 396
  191.0713 12.7 78
  192.0698 45.4 281
  204.0745 2.1 13
  205.0767 161.2 999
  206.0843 24.9 154
  207.091 7.1 44
  214.066 7.9 48
  216.0821 2.3 14
  241.0755 2.2 13
//