ACCESSION: MSBNK-EPA-ENTACT_AGILENT001486
RECORD_TITLE: Carabersat; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9300000000-b72ad6a395025faeb34f
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  43.017841 100 999
  43.041651 2.52088 25
  43.054227 1.846449 18
  59.049141 22.356993 223
  107.049141 4.457252 44
  119.049141 1.001292 10
  123.024069 11.00353 109
  135.081584 1.034974 10
  140.050618 4.008885 40
  149.059706 6.829148 68
  159.080441 3.163206 31
  161.059706 1.438263 14
  165.055763 2.153096 21
  177.091006 15.486046 154
//