ACCESSION: MSBNK-EPA-ENTACT_AGILENT001899
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0002-7900000000-580dc220f97b0b71ba44
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  41.038577 1.374073 13
  42.033826 1.866702 18
  54.033826 4.685318 46
  67.054227 2.263294 22
  68.049476 1.09366 10
  77.038577 1.517664 15
  80.049476 12.987108 129
  91.054227 1.008367 10
  93.057301 1.062048 10
  94.065126 18.743328 187
  95.060375 100.000001 999
  95.11789 1.383941 13
  96.0682 18.039776 180
  104.049476 1.349078 13
  107.060375 1.56195 15
  108.080776 1.907021 19
  117.069877 2.246552 22
  120.0682 1.555096 15
  121.076025 37.525753 374
  122.08385 1.979573 19
  123.091675 1.320946 13
  130.065126 1.479121 14
  131.072951 1.235375 12
  135.091675 3.5429 35
  137.070939 1.395982 13
  143.072951 7.192108 71
  144.080776 56.190597 561
  149.070939 68.12163 680
  149.119901 1.283649 12
  158.096426 11.190987 111
  170.096426 1.711169 17
  180.080776 1.546871 15
  181.088601 1.789628 17
  182.096426 1.181411 11
  294.160089 1.616952 16
//