ACCESSION: MSBNK-BAFG-CSL2311107190
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 140 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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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$SPLASH: splash10-0ufr-0900000000-521975040537379b8035
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  51.0286 4.8 65
  65.0439 1.6 21
  74.0179 2.6 35
  75.0266 4.2 57
  76.0336 1.9 26
  77.0413 15.1 207
  78.0487 1.7 23
  86.0173 1.4 19
  87.0245 2.9 39
  88.0319 1.5 20
  89.0401 6 82
  98.0173 1.9 26
  99.0233 3.8 52
  100.0316 0.9 12
  101.0382 3.6 49
  102.0354 1.2 16
  102.0473 5.6 76
  111.0229 1.2 16
  113.0385 10.2 140
  114.0348 6.1 83
  115.0548 8.3 114
  125.0396 6.8 93
  126.0466 13.3 182
  127.0545 12.9 177
  128.0472 1 13
  128.0607 5.3 72
  137.0388 8.4 115
  138.0331 1.4 19
  138.0469 4.4 60
  139.0546 12.4 170
  140.0501 13.1 180
  149.039 3.3 45
  150.047 37.1 509
  151.055 72.7 999
  152.0623 67.3 924
  153.0563 3.7 50
  154.0619 0.9 12
  161.0386 2.6 35
  162.0458 8.3 114
  163.0548 32.7 449
  164.0505 28.6 393
  165.0496 1.2 16
  165.0706 7.3 100
  166.0665 1.3 17
  175.0521 3.1 42
  176.062 28.4 390
  177.0582 19.9 273
  178.0658 14.8 203
  179.0715 0.9 12
  187.0411 0.9 12
  188.0505 12.5 171
  189.0569 5.5 75
  190.0647 11.8 162
  191.0608 1.3 17
  192.0691 0.8 10
  203.0613 1.3 17
  204.0679 0.8 10
  205.0763 5 68
//