MassBank Record: MSBNK-EPA-ENTACT_AGILENT001979
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001979
RECORD_TITLE: MK-968; ESI-QTOF; MS2; CE: 10; [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 10
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: splash10-00di-0009000000-ee420b5cf4142d352825
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
127.03648 3.379336 33
214.109819 9.003569 89
372.16414 100 999
//