ACCESSION: MSBNK-BAFG-CSL2311108239
RECORD_TITLE: Eprosartan; LC-ESI-QTOF; MS2; 40 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$NAME: Eprosartan
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₂₃H₂₄N₂O₄S
CH$EXACT_MASS: 424.1457
CH$SMILES: CCCCc1ncc(\C=C(/Cc2sccc2)C(O)=O)n1Cc3ccc(cc3)C(O)=O
CH$IUPAC: InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
CH$LINK: CAS 133040-01-4
CH$LINK: INCHIKEY OROAFUQRIXKEMV-LDADJPATSA-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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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 6.955 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 425.1528
MS$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$SPLASH: splash10-0a70-1982500000-a2b598c1784ff103f603
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  77.0422 3.0363 31
  78.0363 2.0258 20
  79.0595 1.0631 10
  80.0528 8.6856 89
  84.0836 2.238 22
  97.0126 19.8184 203
  106.0307 5.1295 52
  107.0513 38.4323 394
  119.0617 1.5601 16
  120.0691 3.6599 37
  124.0404 5.6274 57
  135.0454 77.9778 800
  137.1089 1.4107 14
  153.104 1.0168 10
  161.0289 2.8554 29
  161.108 2.0745 21
  162.0382 3.3295 34
  162.1154 1.093 11
  163.0471 1.2304 12
  163.1236 33.2006 340
  164.0574 4.1759 42
  168.0849 1.1624 11
  169.0776 1.6831 17
  170.0976 1.5152 15
  174.0377 2.0556 21
  177.103 1.8024 18
  189.102 2.9915 30
  196.076 1.3384 13
  201.048 9.5757 98
  202.0564 8.3232 85
  205.0969 1.8355 18
  207.1135 94.4678 969
  215.0641 2.0493 21
  231.0458 1.5869 16
  240.0654 1.3869 14
  243.0945 1.5166 15
  244.1027 11.6148 119
  245.1107 11.2699 115
  271.1442 1.1418 11
  272.0976 16.6377 170
  273.1058 12.2796 126
  278.0641 1.0033 10
  290.1088 3.5359 36
  291.116 4.5397 46
  295.1401 1.0894 11
  297.1605 7.6083 78
  323.1351 1.1425 11
  341.1501 38.7132 397
  361.1355 3.0442 31
  379.1479 10.1914 104
  389.1338 2.8247 28
  407.1402 16.4107 168
  425.1527 97.349 999
//