ACCESSION: MSBNK-EPA-ENTACT_AGILENT001069
RECORD_TITLE: 4'-Chloro-2',5'-dimethoxyacetoacetanilide; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4'-Chloro-2',5'-dimethoxyacetoacetanilide
CH$NAME: DTXSID5029265
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄ClNO₄
CH$EXACT_MASS: 271.0611356532
CH$SMILES: CC(=O)CC(=O)NC1C=C(OC)C(Cl)=CC=1OC
CH$IUPAC: InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)
CH$LINK: CAS 4433-79-8
CH$LINK: INCHIKEY MOUVJGIRLPZEES-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:78170

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$FOCUSED_ION: PRECURSOR_M/Z 270.0538592015
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-053r-9100000000-3d6b3da67116bf7de381
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  57.034588 68.064089 679
  57.058398 1.746958 17
  83.013853 99.999998 999
  83.050238 2.571749 25
  83.063302 1.420558 14
  155.985292 2.012173 20
  171.008768 13.909039 138
  186.032243 19.742744 197
  270.053859 18.343848 183
//