ACCESSION: MSBNK-BAFG-CSL2311094333
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 90 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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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$SPLASH: splash10-0zi0-0910000000-a8b06559b7c9e4f8fc11
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  51.0274 1.4 12
  77.0414 13.2 114
  78.0368 1.5 12
  80.0511 4.2 36
  89.0388 1.4 12
  102.0335 1.7 14
  113.0379 3.1 26
  114.0454 1.4 12
  115.0532 6.5 56
  116.0498 1.7 14
  117.0566 1.2 10
  125.0383 1.9 16
  126.0458 2.2 19
  127.054 12.4 107
  128.0521 7.3 63
  129.0449 3.3 28
  137.0386 1.5 12
  138.0466 3.9 33
  139.0539 11.3 97
  140.0492 17.6 152
  141.0588 1.2 10
  142.0292 7.5 64
  150.0455 9.9 85
  151.0544 61 527
  152.0621 96.8 837
  153.0685 21.1 182
  154.0645 3.7 32
  162.0466 3.2 27
  163.054 30.4 262
  164.0553 34.6 299
  165.0693 64 553
  166.0645 11.1 96
  167.0721 6.4 55
  168.0683 2.3 19
  176.0545 6.2 53
  177.0575 25.4 219
  178.0658 63.8 551
  179.0722 38.3 331
  180.0808 25.3 218
  181.0761 1.8 15
  187.0557 1.2 10
  188.0479 4.6 39
  189.0565 8.3 71
  190.0654 49.6 429
  191.0641 14.3 123
  192.0686 25.1 217
  203.0602 1.2 10
  204.0705 1.8 15
  205.076 115.5 999
  206.0839 8.7 75
  207.0917 1.7 14
  214.0642 5.8 50
  216.0796 1.5 12
  239.06 2.2 19
  240.0761 1.2 10
  241.0755 1.2 10
//