ACCESSION: MSBNK-BAFG-CSL2311107195
RECORD_TITLE: Losartan carboxylic acid; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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-0900000000-6bd1334777bbc0eb1a9a
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  51.0289 3.9 45
  74.0175 1.4 16
  75.0251 4 47
  77.0409 13.9 163
  78.0483 1.5 17
  80.0513 1.1 12
  86.0164 0.9 10
  87.0242 2.7 31
  88.0315 1.3 15
  89.0396 5.6 65
  98.015 1 11
  99.0244 1.8 21
  101.0396 3.6 42
  102.034 0.9 10
  102.0459 2.4 28
  111.0219 1 11
  113.038 8 94
  114.0317 1.9 22
  114.0455 3.6 42
  115.0539 7.9 92
  116.0486 1 11
  125.0384 3.9 45
  126.046 11.4 133
  127.0534 12 141
  128.0477 2.1 24
  128.0613 4.3 50
  137.0377 5.6 65
  138.0453 6.3 74
  139.0536 13.8 162
  140.0491 15.6 183
  141.0564 1.5 17
  149.0383 3 35
  150.0462 27.3 320
  151.0541 76.2 895
  152.0619 85 999
  153.0564 5.3 62
  161.038 2.4 28
  162.0457 8.6 101
  163.0541 33.4 392
  164.0511 32 376
  165.0455 1.9 22
  165.0685 10.5 123
  166.064 2.1 24
  175.0514 2.6 30
  176.0617 32.7 384
  177.0587 22.3 262
  178.0646 21.7 255
  179.0716 2 23
  180.0802 1 11
  188.0489 12.7 149
  189.0577 5.9 69
  190.0651 19.5 229
  191.0607 2.2 25
  192.0678 1 11
  203.057 1.1 12
  204.0677 1 11
  205.0759 12.7 149
//
