ACCESSION: MSBNK-EPA-ENTACT_AGILENT001983
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 372.1641402775
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-024i-0869000000-d7c36b3a705322aaa3aa
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  39.00518 2.722325 27
  61.009516 1.349658 13
  117.034588 3.581988 35
  127.03648 62.987954 629
  127.080076 1.06303 10
  133.039394 1.305342 13
  134.047219 18.044255 180
  160.062869 5.773264 57
  214.109819 71.754771 716
  214.167334 1.091392 10
  372.16414 100.000003 999
//