ACCESSION: MSBNK-EPA-ENTACT_AGILENT001943
RECORD_TITLE: MK-274; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-0001900000-0b87b5b47c96943dca62
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  326.05467 2.965315 29
  346.060898 3.88579 38
  366.067127 4.017766 40
  389.066712 1.674524 16
  409.07294 9.369522 93
  429.079168 99.999997 999
//