ACCESSION: MSBNK-EPA-ENTACT_AGILENT001945
RECORD_TITLE: MK-274; ESI-QTOF; MS2; CE: 40; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 431.0937213087
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0291400000-f2881f2b763e5c10e854
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  69.008339 4.595782 45
  107.085327 3.443833 34
  119.085327 7.224195 72
  135.080441 1.479361 14
  170.05243 5.696752 56
  177.057101 3.962452 39
  186.046402 3.903046 38
  196.055504 4.881045 48
  197.063329 10.658022 106
  198.047345 4.94347 49
  199.054227 1.587677 15
  205.052015 2.39319 23
  207.047679 6.689386 66
  208.055504 13.796067 137
  209.063329 2.693379 26
  211.043736 1.024162 10
  212.050419 23.348779 233
  213.057301 5.670626 56
  224.05046 40.019114 399
  225.058244 54.89793 548
  226.061144 1.326301 13
  237.069518 4.501806 44
  252.064218 1.367851 13
  253.053358 30.697941 306
  264.055664 7.140292 71
  281.058404 9.117686 91
  331.053868 4.011948 40
  345.059387 1.072478 10
  346.06611 13.169857 131
  358.06611 6.621501 66
  371.061359 2.39221 23
  386.061024 1.516584 15
  414.067172 100.000001 999
  415.074997 1.351126 13
//