MassBank Record: MSBNK-EPA-ENTACT_AGILENT001982
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
//