ACCESSION: MSBNK-BAFG-CSL2311107189
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 110 V
DATE: 2023.11.10
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$NAME: Losartan carboxylic acid
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C22H21ClN6O2
CH$EXACT_MASS: 436.1415
CH$SMILES: CCCCc1nc(Cl)c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(O)=O
CH$IUPAC: InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
CH$LINK: CAS 124750-92-1
CH$LINK: INCHIKEY ZEUXAIYYDDCIRX-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 10.786 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 437.1487
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-0900000000-25e05de7807c99616ed0
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  51.0272 2.7 21
  75.0264 1.5 11
  77.0409 10.8 86
  80.0513 1.5 11
  89.0396 2.8 22
  101.038 1.8 14
  102.0332 1.5 11
  113.0373 5.8 46
  114.0467 2.8 22
  115.0542 7.4 59
  125.0385 3.3 26
  126.0461 5.2 41
  127.0541 15.7 125
  128.0475 1.6 12
  128.0615 5.6 44
  137.0375 3.1 24
  138.0467 6.4 51
  139.0545 10 79
  140.0495 18.3 146
  141.0574 1.4 11
  149.0396 1.5 11
  150.0461 13.6 108
  151.0544 67.3 537
  152.0621 125.1 999
  153.0679 15.5 123
  154.0639 2.2 17
  162.0469 5.5 43
  163.054 43 343
  164.0511 43.2 344
  165.067 19.4 154
  166.0649 4.3 34
  168.0678 1.5 11
  176.0618 29.1 232
  177.0644 28.7 229
  178.0696 43.2 344
  179.0709 9.4 75
  180.0818 6.1 48
  188.0503 6.7 53
  189.0567 10.3 82
  190.0653 46.5 371
  191.0608 6.9 55
  192.0682 7.7 61
  204.0672 1.3 10
  205.0758 41.2 329
  206.084 1.3 10
//
