ACCESSION: MSBNK-BAFG-CSL2311094342
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 140 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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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$SPLASH: splash10-0udi-1900000000-6ede9f25cafc94b42739
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  51.0288 4.5 66
  65.0414 1.2 17
  74.0179 3.1 45
  75.0257 7 103
  76.0334 2.1 31
  77.0416 16 237
  78.0369 0.7 10
  78.048 1.4 20
  80.0514 1.5 22
  86.017 1.8 26
  87.0245 4.4 65
  88.0314 1.2 17
  89.0402 8 118
  90.0486 1 14
  91.0545 0.8 11
  98.0154 2.7 40
  99.0239 4.6 68
  100.033 1 14
  101.0383 5.2 77
  102.0331 1.5 22
  102.0461 3.8 56
  110.0143 1 14
  111.0228 1.4 20
  112.0181 0.9 13
  113.0384 11.9 176
  114.0339 3.3 48
  114.0453 1.9 28
  115.0542 12.1 179
  122.0136 0.8 11
  123.0221 0.8 11
  124.0319 1.1 16
  125.0378 8.4 124
  126.0464 14.9 220
  127.0539 10.8 160
  128.0537 5.3 78
  137.0383 8.8 130
  138.0318 1.4 20
  138.0453 3.4 50
  139.0539 18.2 269
  140.0492 11.3 167
  149.0387 5.6 83
  150.0464 44 652
  151.0542 67.4 999
  152.0621 47.5 704
  153.0425 0.9 13
  153.0565 4.6 68
  161.0373 2.5 37
  162.047 8 118
  163.0541 32.8 486
  164.0542 30.3 449
  165.0446 0.9 13
  165.0702 15.5 229
  166.0654 1.8 26
  175.0417 1.9 28
  176.0557 6.7 99
  177.0572 22.5 333
  178.0655 17.8 263
  179.0723 1.7 25
  187.0445 1.5 22
  188.0496 11.1 164
  189.0575 3.5 51
  190.0652 8.6 127
  191.0615 2 29
  201.0579 0.8 11
  203.0607 1.8 26
  205.0746 6.1 90
  212.0498 1.3 19
  214.0649 0.9 13
//