ACCESSION: MSBNK-BAFG-CSL2311107198
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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 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$SPLASH: splash10-0zfu-0910000000-436bbcf70b84713bc5bd
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  77.0406 12.8 101
  80.0514 2.8 22
  113.0379 1.8 14
  115.0539 5.3 41
  127.0537 10.5 83
  128.0564 4.1 32
  129.0475 1.6 12
  138.046 2.9 22
  139.0538 3.3 26
  140.049 17.2 136
  141.0637 3.5 27
  150.0458 2.7 21
  151.0539 36.1 285
  152.0623 109.4 866
  153.0697 62.2 492
  154.065 5.4 42
  157.0529 1.7 13
  162.0451 1.3 10
  163.0546 35.1 278
  164.0562 18.8 148
  165.0646 26.2 207
  166.0648 6.3 49
  167.0724 6 47
  168.0675 4.1 32
  176.062 7.2 57
  177.0671 22.2 175
  178.0761 96.1 761
  179.0733 29.2 231
  180.0805 59.6 472
  181.0763 2.4 19
  185.0467 5.2 41
  188.0496 2.3 18
  189.0567 9.5 75
  190.0653 126.1 999
  191.0706 25.7 203
  192.068 43.8 346
  205.0762 104.3 826
  206.0838 32.9 260
  207.0906 5.3 41
//