ACCESSION: MSBNK-BAFG-CSL2311107197
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 90 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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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$SPLASH: splash10-0ufr-0910000000-2f25294ad046b689b4ad
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  77.0418 10.9 104
  80.0515 2 19
  102.0333 1.1 10
  113.0398 2.8 26
  114.0458 1.9 18
  115.0546 5.4 51
  116.0496 1.2 11
  125.0382 1.2 11
  126.0475 1.3 12
  127.0548 11.9 114
  128.0606 3.9 37
  129.042 1.3 12
  138.0472 4.3 41
  139.0546 6.8 65
  140.0498 16 153
  141.0581 1.7 16
  150.0477 4.2 40
  151.0551 38.5 370
  152.0625 103.9 999
  153.07 35 336
  154.0635 4.2 40
  157.0523 1.1 10
  162.0455 1.9 18
  163.0552 35.6 342
  164.0549 25.3 243
  165.0645 23.9 229
  166.0653 6 57
  167.0735 3.6 34
  168.0675 3 28
  176.0626 15 144
  177.068 23.2 223
  178.0751 64.6 621
  179.073 27.1 260
  180.0813 24.9 239
  181.0747 1.4 13
  185.049 2.2 21
  188.0496 4.2 40
  189.0585 9.6 92
  190.0656 80.2 771
  191.0657 13.8 132
  192.069 24.2 232
  204.0665 1 9
  205.0767 76.6 736
  206.0842 12.5 120
//