ACCESSION: MSBNK-EPA-ENTACT_AGILENT001984
RECORD_TITLE: MK-968; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: MK-968
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁F₂N₅O
CH$EXACT_MASS: 373.1714167292
CH$SMILES: FC1C=CC=CC=1C(F)COC1CCC(CC1)NC1NC=NC2=NN=CC=12
CH$IUPAC: InChI=1S/C19H21F2N5O/c20-16-4-2-1-3-14(16)17(21)10-27-13-7-5-12(6-8-13)25-18-15-9-24-26-19(15)23-11-22-18/h1-4,9,11-13,17H,5-8,10H2,(H2,22,23,24,25,26)
CH$LINK: INCHIKEY GHKNHBRWJYMSHK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:24809526

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$FOCUSED_ION: PRECURSOR_M/Z 374.1786931809
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-3900000000-bf47333531b6e5a27504
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  41.038577 1.094138 10
  53.038577 1.339523 13
  79.054227 7.598795 75
  81.069877 48.318394 482
  81.102239 1.076171 10
  101.038377 2.542098 25
  108.055624 1.11457 11
  109.050873 4.777461 47
  119.035223 10.578473 105
  121.044605 8.641671 86
  136.061772 100.000002 999
  136.105808 2.832546 28
  136.124452 1.386994 13
  141.051033 8.138467 81
  174.077422 1.201147 11
  216.124372 2.334215 23
//