ACCESSION: MSBNK-EPA-ENTACT_AGILENT001903
RECORD_TITLE: FK 1052; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: FK 1052
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₉N₃O
CH$EXACT_MASS: 293.1528122506
CH$SMILES: CC1N=CNC=1CC1CCC2=C(C)C3=CC=CC=C3N2C1=O
CH$IUPAC: InChI=1S/C18H19N3O/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)
CH$LINK: CAS 129299-72-5
CH$LINK: INCHIKEY AEKQMJRJRAHOAP-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 292.1455357989
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001j-9510000000-ad29462ded3545f51027
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  81.045822 100.000003 999
  144.081873 1.764443 17
  156.081873 3.008053 30
  198.092438 61.544398 614
  292.145536 15.571733 155
//