ACCESSION: MSBNK-BAFG-CSL2311107199
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 120 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$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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: splash10-0udi-0900000000-093140802b6df162aef6
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  75.0262 2 18
  77.0417 13.2 122
  87.0252 1.4 12
  89.0407 3.5 32
  99.024 1.2 11
  101.0393 2.3 21
  102.0338 1.2 11
  102.0474 2.7 24
  113.0388 6.4 59
  114.0337 1.4 12
  114.0463 2.5 23
  115.0551 7.8 72
  125.039 4.7 43
  126.0465 7.7 71
  127.0548 16.7 154
  128.0484 1.9 17
  128.0625 6.1 56
  137.0388 4.5 41
  138.047 7 64
  139.0548 10 92
  140.0502 14.8 136
  141.0583 1.6 14
  149.0392 2.5 23
  150.047 21.1 195
  151.055 79.5 735
  152.0628 108 999
  153.064 8.9 82
  161.039 2.2 20
  162.0469 8.1 74
  163.0551 40.8 377
  164.052 43.2 399
  165.0694 15.3 141
  166.065 3.6 33
  175.0557 1.3 12
  176.0627 31.5 291
  177.0624 26.1 241
  178.0671 34 314
  179.0731 4.5 41
  180.0818 2.8 25
  188.0493 11.6 107
  189.0581 7.7 71
  190.0657 30.6 283
  191.0603 4.6 42
  192.0685 2.2 20
  203.0603 1.2 11
  204.0689 1.8 16
  205.0769 24.5 226
//
