ACCESSION: MSBNK-EPA-ENTACT_AGILENT001900
RECORD_TITLE: FK 1052; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 294.1600887023
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0290000000-bd5978938cf1f82efe2a
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  95.060375 9.808239 97
  96.0682 1.022876 10
  121.076025 1.583486 15
  137.070939 1.44582 14
  144.080776 3.743741 37
  149.070939 23.021123 229
  158.096426 2.162816 21
  200.10699 1.167313 11
  294.160089 100.000002 999
//