ACCESSION: MSBNK-EPA-ENTACT_AGILENT002106
RECORD_TITLE: 5-Chlorosalicylanilide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-Chlorosalicylanilide
CH$NAME: DTXSID9037749
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀ClNO₂
CH$EXACT_MASS: 247.040006281
CH$SMILES: OC1C=CC(Cl)=CC=1C(=O)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
CH$LINK: CAS 4638-48-6
CH$LINK: INCHIKEY KGYNGVVNFRUOOZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14869

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$FOCUSED_ION: PRECURSOR_M/Z 248.0472827327
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-002g-9300000000-26de175f37e76c7e6a4a
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  48.983954 1.62815 16
  51.022927 2.325257 23
  72.983954 10.152264 101
  77.038577 44.402936 443
  93.057301 2.291674 22
  94.065126 99.999997 999
  98.999604 56.598232 565
  126.994519 32.491059 324
  154.989434 49.609911 495
//