ACCESSION: MSBNK-EPA-ENTACT_AGILENT001982
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0059-0900000000-b1a833505fe024108ddf
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39.00518 1.18225 11
  61.009516 1.755848 17
  65.014522 2.825624 28
  92.025421 6.48288 64
  105.033246 3.230739 32
  107.03632 8.444324 84
  117.034389 5.715875 57
  127.03648 100.000001 999
  127.080076 1.600824 15
  132.031569 4.508925 45
  133.039394 23.082674 230
  134.047219 74.755052 746
  134.091255 1.145053 11
  137.040817 1.277895 12
  158.047219 1.519535 15
  160.062869 27.746004 277
  186.078519 5.810729 58
  214.109819 18.446042 184
  372.16414 1.852568 18
//