ACCESSION: MSBNK-BAFG-CSL2311094329
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 110 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$MASS_SPECTROMETRY: COLLISION_ENERGY 110
AC$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$SPLASH: splash10-0udi-0900000000-0dd28758b32773085997
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  75.0253 2.1 25
  77.0416 13.1 160
  78.0355 0.9 11
  80.0517 2.2 27
  89.0057 0.9 11
  89.04 3.9 47
  99.0235 1.1 13
  101.039 3.1 38
  102.0342 2.1 25
  102.0469 1.6 19
  113.038 6.3 77
  114.0323 2.1 25
  114.0449 2.3 28
  115.0545 9.1 111
  117.0567 1.1 13
  125.0383 5.5 67
  126.0457 5.4 66
  127.0539 12.6 154
  128.0505 5 61
  128.0629 2.2 27
  129.045 1.1 13
  137.0384 4.1 50
  138.0476 6.3 77
  139.0544 14.9 182
  140.0496 17.7 217
  141.0592 1.4 17
  142.0295 1.7 20
  149.0381 2.3 28
  150.0466 23.1 283
  151.0549 62 760
  152.0622 81.4 999
  153.0612 11.1 136
  154.0663 2.3 28
  161.0409 1.3 15
  162.0454 5.9 72
  163.0542 30.3 371
  164.0543 38.1 467
  165.0698 38.5 472
  166.0648 7.2 88
  167.0714 1.7 20
  176.0553 7.4 90
  177.0576 24.6 301
  178.0655 44.3 543
  179.0727 14.6 179
  180.0795 5.3 65
  187.0504 1.6 19
  188.0491 8.6 105
  189.0567 6.5 79
  190.0651 24.8 304
  191.0606 7.6 93
  192.0683 5.1 62
  201.0596 0.9 11
  203.0607 1.3 15
  203.0725 0.9 11
  204.0675 1.3 15
  205.0759 43.2 530
  212.0478 1.2 14
  214.0642 2.6 31
  239.057 0.9 11
//