ACCESSION: MSBNK-EPA-ENTACT_AGILENT000167
RECORD_TITLE: Flucarbazone; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Flucarbazone
CH$NAME: DTXSID3034614
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁F₃N₄O₆S
CH$EXACT_MASS: 396.0351394443
CH$SMILES: CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1C=CC=CC=1OC(F)(F)F)OC
CH$IUPAC: InChI=1S/C12H11F3N4O6S/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15/h3-6H,1-2H3,(H,17,20)
CH$LINK: CAS 145026-88-6
CH$LINK: INCHIKEY GINFBXXYGUODAT-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 397.042415896
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0900000000-a45d2385bdc935961959
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  73.039639 1.155116 11
  115.037628 3.000452 29
  130.061103 99.999997 999
//