ACCESSION: MSBNK-EPA-ENTACT_AGILENT001550
RECORD_TITLE: AVE9423; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a6u-0009100000-156c5decd7a0760fd428
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  34.969401 6.572672 65
  302.006395 1.334595 13
  323.062615 1.162794 11
  331.044378 20.573603 205
  332.047893 1.857771 18
  342.061018 1.350981 13
  343.068843 61.825818 617
  344.072845 4.735963 47
  351.050606 7.478456 74
  358.031467 2.72052 27
  359.039292 99.999995 999
  360.043295 6.783153 67
  367.020568 4.518886 45
  379.045521 80.293738 802
  380.050178 5.926235 59
  382.980728 8.949281 89
  386.050847 1.329731 13
  387.058672 3.848188 38
  395.01597 20.911088 208
  396.018798 1.634651 16
  403.029777 3.304509 33
  415.022198 16.601992 165
  416.025026 1.312205 13
  421.0197 4.657591 46
  422.027525 1.764866 17
  423.03535 24.476082 244
  424.043175 2.012088 20
  439.005799 1.275943 12
  458.004203 2.514185 25
  459.012028 4.601505 45
//