ACCESSION: MSBNK-EPA-ENTACT_AGILENT001549
RECORD_TITLE: AVE9423; ESI-QTOF; MS2; CE: 40; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 505.0164097808
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0000900000-9e48219707244715173c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  161.99166 1.162626 11
  225.033491 1.824938 18
  253.02938 1.218476 12
  343.068433 1.916307 19
  352.054654 1.323182 13
  378.036598 4.508552 45
  406.031513 3.335049 33
  413.005451 2.289433 22
  441.000366 2.666464 26
  443.016016 8.551836 85
  459.01093 9.550617 95
  468.99528 2.956584 29
  487.005845 100 999
  488.01367 1.97098 19
//