ACCESSION: MSBNK-BAFG-CSL2311107200
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 100 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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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$SPLASH: splash10-0ufr-0900000000-d2711aea6a33fb151e40
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  77.0412 11.8 109
  80.0525 1.9 17
  89.0402 2.1 19
  102.0343 1.1 10
  113.0388 3.7 34
  114.046 2.7 24
  115.0544 5.9 54
  125.0386 2.2 20
  126.0472 3 27
  127.0546 14 129
  128.0497 1.8 16
  128.0618 4.1 37
  137.0386 1.3 12
  138.0458 5.8 53
  139.0537 8.4 77
  140.0493 16.6 153
  141.0582 1.5 13
  150.0466 9.1 84
  151.0546 48.4 448
  152.0625 107.9 999
  153.0698 20.1 186
  154.0645 2.9 26
  162.0463 2.5 23
  163.0547 34.1 315
  164.0525 31.1 287
  165.0657 21.5 199
  166.0652 4.8 44
  167.0718 2.1 19
  168.0686 2.3 21
  176.0622 20.5 189
  177.066 24.8 229
  178.0721 53.7 497
  179.0729 14.2 131
  180.0811 10 92
  181.0757 1.1 10
  188.05 6.1 56
  189.0564 10.7 99
  190.0656 60 555
  191.062 13.9 128
  192.068 12.6 116
  205.0768 58.7 543
  206.0836 4.8 44
//