ACCESSION: MSBNK-BAFG-CSL2311094337
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 100 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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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$SPLASH: splash10-0ufr-0910000000-a526dc988ad47ba1f679
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  75.027 1.5 16
  77.041 12.6 136
  78.0374 1.4 15
  80.0511 2.7 29
  87.0244 1.1 11
  89.0028 0.9 9
  89.0398 2.3 24
  91.0562 1 10
  101.0385 2.2 23
  102.0351 1.9 20
  102.0456 1.3 14
  113.0387 4.3 46
  114.0343 1.2 12
  114.0446 1.3 14
  115.0539 7.8 84
  117.0593 1 10
  125.0384 3.2 34
  126.0463 3.1 33
  127.0543 13.3 143
  128.0511 6.2 66
  129.0456 1.2 12
  137.0384 2.4 25
  138.0456 4.7 50
  139.0547 10.3 111
  140.0492 18.8 203
  141.0209 1 10
  141.0565 1.4 15
  142.0283 4.5 48
  149.0386 1.7 18
  150.0461 15.5 167
  151.0544 69.3 748
  152.062 92.5 999
  153.0626 13.3 143
  154.0641 3 32
  162.0463 3.9 42
  163.0541 29.6 319
  164.0529 37.8 408
  165.0693 50.8 548
  166.0657 6.5 70
  167.0718 1.7 18
  176.0544 5.6 60
  177.0575 25.8 278
  178.0653 51.8 559
  179.0726 24.4 263
  180.0805 10.7 115
  181.0756 1 10
  187.0545 1.6 17
  188.0498 9 97
  189.0585 9.2 99
  190.0646 33.2 358
  191.0609 11.1 119
  192.0679 12.5 135
  201.0604 1 10
  203.0622 1.7 18
  204.0718 1.5 16
  205.0762 76.1 821
  206.084 2.4 25
  214.0644 4.5 48
  215.0595 1.2 12
  239.0599 1 10
//