ACCESSION: MSBNK-EPA-ENTACT_AGILENT001546
RECORD_TITLE: AVE9423; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: AVE9423
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₁₂Cl₂F₂N₂O₅
CH$EXACT_MASS: 504.0091333291
CH$SMILES: OC(=O)C1=CC=CC=C1N1C=C(C(=O)C2C=C(NC3C(Cl)=CC(F)=CC=3F)C(Cl)=CC1=2)C(O)=O
CH$IUPAC: InChI=1S/C23H12Cl2F2N2O5/c24-14-8-19-12(7-17(14)28-20-15(25)5-10(26)6-16(20)27)21(30)13(23(33)34)9-29(19)18-4-2-1-3-11(18)22(31)32/h1-9,28H,(H,31,32)(H,33,34)
CH$LINK: CAS 862243-29-6
CH$LINK: INCHIKEY OEMJXSVJXPIFMA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:24798733

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$FOCUSED_ION: PRECURSOR_M/Z 503.0018568774
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0004910000-16fd52b6aae0574e2902
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  34.969401 2.092871 20
  331.044378 6.759685 67
  343.068843 7.999644 79
  351.050119 1.077233 10
  359.039292 12.024096 120
  367.021056 1.534134 15
  379.045521 23.370891 233
  380.050178 1.715629 17
  382.980728 1.56902 15
  387.058672 4.38768 43
  395.01597 11.803099 117
  403.029122 3.519532 35
  415.022198 16.642158 166
  416.025026 1.110619 11
  423.03535 99.999997 999
  424.043175 6.017627 60
  439.006455 1.377204 13
  458.004203 3.418492 34
  459.012028 27.202648 271
  503.001857 21.132792 211
//