ACCESSION: MSBNK-BAFG-CSL2311094340
RECORD_TITLE: Losartan; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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 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$SPLASH: splash10-0udi-0900000000-1af49d62b6a1ba3770d4
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  65.0428 1.2 16
  74.0184 2 27
  75.0257 5.2 70
  76.0341 1.3 17
  77.0418 14.9 202
  78.0375 0.8 10
  78.049 1 13
  80.0522 1.6 21
  86.0171 1 13
  87.0254 2.8 38
  88.0318 1.3 17
  89.0402 7.9 107
  98.0161 1.5 20
  99.0226 3.3 44
  100.0326 0.8 10
  101.0393 4.7 63
  102.0348 1.9 25
  102.0468 2.8 38
  110.0156 0.8 10
  111.0224 1.3 17
  113.0384 10.9 148
  114.0347 2.2 29
  114.0447 1.4 19
  115.0544 12.4 168
  116.0515 0.9 12
  123.0228 1.3 17
  125.0391 6.3 85
  126.0467 12.4 168
  127.0542 12.9 175
  128.0496 3.1 42
  128.0617 2.7 36
  137.039 7.2 97
  138.0443 6.1 83
  139.0541 16.8 228
  140.0492 16.4 223
  141.0582 1.1 14
  149.0395 3.8 51
  150.0469 38.4 522
  151.0544 73.4 999
  152.062 62.5 850
  153.0577 7.5 102
  161.0388 3 40
  162.0473 5.5 74
  163.0542 31 421
  164.0551 38.1 518
  165.0442 0.7 9
  165.0697 24.1 328
  166.0641 2.8 38
  175.0425 2 27
  176.0549 9.8 133
  177.0571 24.8 337
  178.0648 23.5 319
  179.0712 4.3 58
  180.0839 1.3 17
  187.0489 2.1 28
  188.0495 11 149
  189.0558 5.2 70
  190.0649 12.6 171
  191.0618 1.9 25
  203.0633 1.4 19
  204.0665 1.5 20
  205.0762 12.7 172
  212.0511 1.4 19
  214.0644 1 13
//