ACCESSION: MSBNK-EPA-ENTACT_AGILENT000290
RECORD_TITLE: GSK232420A; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: GSK232420A
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉F₆N₃O
CH$EXACT_MASS: 325.0649811316
CH$SMILES: NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F
CH$IUPAC: InChI=1S/C12H9F6N3O/c13-11(14,15)6-21(5-10(20)22)8-2-1-7(4-19)9(3-8)12(16,17)18/h1-3H,5-6H2,(H2,20,22)
CH$LINK: CAS 864283-48-7
CH$LINK: INCHIKEY ZDYGKWOTFUOWOA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11472813

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 324.0577046799
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0090000000-50cfd5171ff8b0109e2c
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  113.015664 2.091358 20
  264.037918 11.870694 118
  284.045248 100.000003 999
//