ACCESSION: MSBNK-EPA-ENTACT_AGILENT000236
RECORD_TITLE: CP-863187; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-863187
CH$NAME: DTXSID0047294
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₄F₂N₄O
CH$EXACT_MASS: 340.1135674985
CH$SMILES: CC(C)C1=NN=C2C=CC(=CN21)C1OC=NC=1C1=CC(F)=CC=C1F
CH$IUPAC: InChI=1S/C18H14F2N4O/c1-10(2)18-23-22-15-6-3-11(8-24(15)18)17-16(21-9-25-17)13-7-12(19)4-5-14(13)20/h3-10H,1-2H3
CH$LINK: CAS 668981-02-0
CH$LINK: INCHIKEY UACOXBQBNWQWOK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9949821

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 341.1208439502
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0950000000-d9374b8ee8b33da9f06a
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  103.029075 1.360258 13
  105.045867 1.504731 15
  152.030632 1.154074 11
  163.035383 2.1103 21
  170.040054 3.832104 38
  190.046282 100.000001 999
  190.097488 4.761966 47
  190.11523 2.72282 27
  197.050953 9.976392 99
  202.046282 2.725518 27
  209.050953 2.447054 24
  217.057181 30.218357 301
  218.041197 4.345658 43
  224.062052 7.386024 73
  227.041531 2.658336 26
  228.049356 3.473155 34
  229.057181 5.470011 54
  243.060455 1.524858 15
  244.06828 1.746736 17
  245.052096 1.466895 14
  272.062995 12.119718 121
  325.089544 3.286414 32
  341.120844 3.101655 30
//