ACCESSION: MSBNK-BAFG-CSL2311094335
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 120 V
DATE: 2023.11.09
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$NAME: Losartan
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₂₂H₂₃ClN₆O
CH$EXACT_MASS: 422.1622
CH$SMILES: CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl
CH$IUPAC: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
CH$LINK: CAS 114798-26-4
CH$LINK: INCHIKEY PSIFNNKUMBGKDQ-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 9.819 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 423.1695
MS$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$SPLASH: splash10-0udi-0900000000-a55a5883e03a847e41b8
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  51.0286 2.8 36
  74.0176 1 13
  75.025 3.5 45
  77.0409 14.6 191
  78.0362 0.9 11
  80.0505 1.6 21
  86.0171 1 13
  87.0242 1.4 18
  88.0321 0.9 11
  89.0038 0.8 10
  89.0405 5.1 66
  98.0164 1.1 14
  99.0233 1.8 23
  101.0391 3.8 49
  102.0343 2.4 31
  102.046 2.7 35
  113.039 7.8 102
  114.0349 1.9 24
  114.0456 1.4 18
  115.0543 11.2 147
  116.0512 1.2 15
  125.0381 5.9 77
  126.0476 6 78
  126.0633 0.9 11
  127.0542 12.5 164
  128.0523 5.5 72
  129.0477 1.6 21
  137.0386 6.6 86
  138.0458 5.4 70
  139.0544 18 236
  140.0497 17.6 231
  141.0223 0.8 10
  142.0291 1.1 14
  149.0383 4.2 55
  150.0465 30.5 400
  151.0547 76.1 999
  152.0621 73.4 963
  153.0568 9.5 124
  154.0652 1.3 17
  161.0385 2.2 28
  162.047 7.1 93
  163.0541 33.5 439
  164.0549 37.9 497
  165.0696 31.3 410
  166.0646 4.9 64
  167.0716 1 13
  175.0459 2 26
  176.0558 8.3 108
  177.0573 24.4 320
  178.0651 34.7 455
  179.0719 8.5 111
  180.0808 2.4 31
  187.0528 1.4 18
  188.0495 12.2 160
  189.0574 5.8 76
  190.0652 18.4 241
  191.0597 4.6 60
  192.0676 2.2 28
  203.0596 2.5 32
  204.0681 1.7 22
  205.0755 27.5 361
  212.0493 0.9 11
  214.0647 1.5 19
//