ACCESSION: MSBNK-EPA-ENTACT_AGILENT002104
RECORD_TITLE: 5-Chlorosalicylanilide; ESI-QTOF; MS2; CE: 20; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 246.0327298293
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004j-0950000000-fe4b54464610c5384a3b
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  34.969401 4.313925 43
  41.998537 2.410628 24
  91.018938 1.26919 12
  92.050573 2.145346 21
  126.995616 100.000001 999
  127.042748 4.055261 40
  127.055324 1.821889 18
  246.03273 60.128639 600
//