ACCESSION: MSBNK-EPA-ENTACT_AGILENT001902
RECORD_TITLE: FK 1052; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0536-2900000000-a9e3f4d2e0b81cdcef04
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.003288 2.146685 21
  81.045822 56.101403 560
  129.058398 7.255452 72
  142.066223 10.118625 101
  143.074048 2.440003 24
  144.081873 99.999998 999
  144.126812 1.315707 13
  155.074048 6.794471 67
  156.081873 65.050674 649
  170.061137 1.03658 10
  170.097523 32.019334 319
  196.076788 2.640691 26
  198.092438 4.769668 47
//