ACCESSION: MSBNK-EPA-ENTACT_AGILENT001784
RECORD_TITLE: PharmaGSID_48516; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: PharmaGSID_48516
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₁ClFNO₃S
CH$EXACT_MASS: 339.0132198652
CH$SMILES: O=C(NS(=O)(=O)/C=C/C1C=CC=CC=1)C1=CC=C(F)C=C1Cl
CH$IUPAC: InChI=1S/C15H11ClFNO3S/c16-14-10-12(17)6-7-13(14)15(19)18-22(20,21)9-8-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-8+
CH$LINK: INCHIKEY AUMLVMKWJGCERZ-CMDGGOBGSA-N
CH$LINK: PUBCHEM CID:23700188

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 340.0204963169
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0901000000-3c8f91240fdfbbcd6d88
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  77.038577 1.408331 14
  103.054227 22.322486 223
  156.001081 1.378835 13
  156.985097 99.999998 999
  157.030036 1.562313 15
  167.016127 35.748912 357
  276.058596 1.426043 14
  340.020496 26.687793 266
//