ACCESSION: MSBNK-BAFG-CSL2311107202
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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: splash10-0kbf-0920000000-5d3da76fbe7878b3ce1d
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  77.0414 8.3 65
  80.0517 2.3 18
  115.0546 3.9 30
  127.0542 5.2 41
  128.0584 2 15
  129.0459 2.2 17
  139.0541 1.8 14
  140.0501 15.1 119
  141.0689 3.1 24
  151.055 21 165
  152.063 61.6 485
  153.0704 71.1 560
  154.0656 3.6 28
  157.0533 2.6 20
  163.0552 25.9 204
  164.0584 13.8 108
  165.0663 17.1 134
  166.0648 6.3 49
  167.0734 8.4 66
  168.0688 3.8 29
  176.0625 4.6 36
  177.0681 10.8 85
  178.0777 93.8 739
  179.0737 29.1 229
  180.0817 89.6 706
  181.0782 2.6 20
  185.0482 10 78
  188.052 1.6 12
  189.0587 6.3 49
  190.0665 126.7 999
  191.0735 27.5 216
  192.069 57.1 450
  205.0771 92.6 730
  206.0843 53.8 424
  207.0923 18.3 144
//
