ACCESSION: MSBNK-EPA-ENTACT_AGILENT001948
RECORD_TITLE: MK-274; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: MK-274
CH$NAME: DTXSID5047328
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₂F₆N₄O₂
CH$EXACT_MASS: 430.086444857
CH$SMILES: NC(=O)C1NN=C(N=1)C1C=C(C=CC=1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F
CH$IUPAC: InChI=1S/C18H12F6N4O2/c19-11-4-5-13(30-8-17(20,21)18(22,23)24)12(7-11)9-2-1-3-10(6-9)15-26-16(14(25)29)28-27-15/h1-7H,8H2,(H2,25,29)(H,26,27,28)
CH$LINK: INCHIKEY OWSLGPREZQMVQP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:53316396

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 429.0791684053
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-0009400000-69eb974940cb3c262f12
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  41.014522 4.884828 48
  41.998537 16.87477 168
  68.995758 3.992505 39
  251.031395 1.523613 15
  254.073355 1.857769 18
  276.057705 3.823493 38
  296.071543 3.425818 34
  306.048442 3.333334 33
  326.05467 100.000003 999
  327.05737 3.68099 36
  346.060898 94.787916 946
  347.062456 3.971851 39
  366.067127 82.097098 820
  367.067541 2.795824 27
  369.060484 1.661581 16
  386.073355 4.555346 45
  389.066712 34.025716 339
  390.068269 1.701226 16
  409.07294 67.224298 671
  410.080765 3.289317 32
  429.079168 92.237304 921
//