ACCESSION: MSBNK-EPA-ENTACT_AGILENT000724
RECORD_TITLE: 4'-Chloroacetoacetanilide; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4'-Chloroacetoacetanilide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀ClNO₂
CH$EXACT_MASS: 211.040006281
CH$SMILES: CC(=O)CC(=O)NC1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
CH$LINK: CAS 101-92-8
CH$LINK: INCHIKEY JMRJWEJJUKUBEA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7587

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 210.0327298293
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-d36701384160e31a0fba
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  34.969401 14.197641 141
  39.024024 1.639985 16
  41.003288 45.72008 456
  57.034588 99.999998 999
  57.058398 2.146811 21
  57.070974 1.168606 11
  83.013853 31.882037 318
  126.0116 10.37925 103
//