ACCESSION: MSBNK-EPA-ENTACT_AGILENT001981
RECORD_TITLE: MK-968; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-00dr-1419000000-7904b1451c4b8a59f423
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  81.069877 21.965529 219
  136.061772 50.625398 505
  136.105808 1.258887 12
  141.051033 1.043771 10
  216.124372 20.133174 201
  354.172465 2.278109 22
  374.178693 100 999
//