ACCESSION: MSBNK-EPA-ENTACT_AGILENT001483
RECORD_TITLE: Carabersat; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Carabersat
CH$NAME: DTXSID6047319
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₀FNO₄
CH$EXACT_MASS: 357.1376363346
CH$SMILES: CC(=O)C1C=C2C(NC(=O)C3C=CC(F)=CC=3)C(O)C(C)(C)OC2=CC=1
CH$IUPAC: InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)
CH$LINK: CAS 184653-84-7
CH$LINK: INCHIKEY RCLXAPJEFHPYEG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:193943

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 358.1449127863
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-2920000000-88ccaa108c75c23d6a04
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  43.017841 20.371613 203
  59.049141 14.003883 139
  123.024069 4.051282 40
  140.050618 7.627952 76
  149.059706 2.287308 22
  159.080441 2.806411 28
  161.059706 23.120875 230
  177.091006 100.000003 999
  177.135945 1.975417 19
  177.163777 1.04378 10
  201.091006 5.301931 52
  219.101571 29.070491 290
//