ACCESSION: MSBNK-EPA-ENTACT_AGILENT001485
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 356.1303598829
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000b-0492000000-2881b43c801fad0fdf01
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.998537 3.445217 34
  135.045153 10.450555 104
  137.040817 6.825331 68
  138.036066 14.894367 148
  160.040402 34.381203 343
  160.089364 1.100136 10
  162.056052 2.43769 24
  177.072117 7.901337 78
  217.087018 4.049598 40
  283.06502 2.670992 26
  284.072845 45.899505 458
  284.13036 2.039664 20
  285.079527 2.223485 22
  286.088495 2.289795 22
  298.088495 99.999998 999
  299.095177 1.09208 10
  320.109231 10.382956 103
  338.119795 27.314548 272
  356.13036 14.22632 142
//