ACCESSION: MSBNK-EPA-ENTACT_AGILENT001545
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-000i-0000910000-a8796ed86711e6141826
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  487.005845 100.000001 999
  488.01367 3.305848 33
  505.01641 12.608092 125
//