ACCESSION: MSBNK-EPA-ENTACT_AGILENT002108
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0036-9400000000-1821364f1de7e2328d6f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  34.969401 79.614111 795
  41.003288 14.594345 145
  41.998537 4.634267 46
  49.008374 3.95982 39
  89.003288 1.093596 10
  91.018938 34.976093 349
  92.050573 64.726285 646
  93.035076 1.682619 16
  124.979966 4.064432 40
  125.987791 1.436147 14
  126.995616 100.000003 999
  127.042748 1.843565 18
//