ACCESSION: MSBNK-BAFG-CSL2311107192
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 150 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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-1900000000-78d61de26f8faa19dff0
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  65.0433 1.2 18
  74.0174 3 47
  75.0255 5.8 91
  76.0333 2.5 39
  77.0416 15.2 240
  78.0488 2.4 37
  86.0166 2.1 33
  87.025 3.9 61
  88.0196 0.7 11
  88.0331 2.7 42
  89.04 6.5 102
  98.0162 2.8 44
  99.0229 4 63
  100.032 1.2 18
  101.0389 3.5 55
  102.0471 6.5 102
  111.021 1.6 25
  113.0386 10.6 167
  114.0341 2.6 41
  114.0443 2.7 42
  115.0539 7.5 118
  125.0386 7.4 116
  126.0463 16.2 256
  127.0538 7.5 118
  128.0483 0.7 11
  128.0615 3.9 61
  137.039 8.3 131
  138.0417 4.2 66
  139.054 10.8 170
  140.0502 10.1 159
  149.0386 4.4 69
  150.0466 45.2 714
  151.0545 63.2 999
  152.0618 43.8 692
  153.058 2.9 45
  154.0654 1 15
  161.0378 3.9 61
  162.0468 8.1 128
  163.0541 25.6 404
  164.051 22.4 354
  165.0697 5.3 83
  166.0624 0.7 11
  175.0526 3.7 58
  176.0618 23.2 366
  177.0572 14.1 222
  178.0649 7.5 118
  179.0607 1 15
  187.0449 1.1 17
  188.0499 10.7 169
  189.056 2.6 41
  190.0645 6.8 107
  203.0606 1.3 20
  204.072 1.1 17
  205.0738 2.9 45
//
