ACCESSION: MSBNK-EPA-ENTACT_AGILENT001944
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-004i-3059000000-9fbcf821705dcfa60be2
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  41.014522 13.709857 136
  41.998537 25.205655 251
  68.995758 8.882382 88
  92.995758 1.487882 14
  108.990673 4.713449 47
  212.050573 1.012826 10
  230.040951 3.636855 36
  231.029933 2.356411 23
  236.06279 3.563717 35
  250.047179 2.949045 29
  251.031395 31.397163 313
  252.032911 1.732693 17
  252.056762 5.81584 58
  254.073555 2.71533 27
  258.042174 3.557333 35
  259.032457 1.230219 12
  276.057705 4.800009 47
  277.035612 1.066296 10
  277.060564 1.110953 11
  278.043437 9.796922 97
  279.038686 1.577855 15
  286.042254 2.826852 28
  295.063518 1.118804 11
  298.053488 1.865007 18
  304.0389 1.246291 12
  306.048483 24.39774 243
  318.05455 1.628643 16
  320.044105 1.140864 11
  326.05467 100.000002 999
  327.05737 4.592144 45
  346.060898 8.166659 81
  366.067127 1.67351 16
//