ACCESSION: MSBNK-EPA-ENTACT_AGILENT001484
RECORD_TITLE: Carabersat; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-05r0-0945000000-bff903c26b65e296469f
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  43.017841 5.151908 51
  59.049141 6.947934 69
  123.024069 1.078335 10
  140.050618 4.228557 42
  159.080441 1.074921 10
  161.059706 26.353171 263
  177.091006 100 999
  177.135945 2.104984 21
  201.091006 3.431251 34
  219.101571 59.356373 592
  219.154355 1.080631 10
  286.087398 1.618056 16
  340.134348 1.477168 14
  358.144913 81.29607 812
//