ACCESSION: MSBNK-EPA-ENTACT_AGILENT001785
RECORD_TITLE: PharmaGSID_48516; ESI-QTOF; MS2; CE: 40; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 338.0059434135
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00kf-9600000000-7328204cf95c99019bb9
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  34.969401 13.82308 138
  41.998537 100.000005 999
  42.024177 2.351387 23
  42.034923 1.450672 14
  63.962449 2.216683 22
  91.055324 1.394289 13
  101.039674 24.25145 242
  103.055324 1.01987 10
  116.050573 2.339208 23
  117.035076 9.338607 93
  119.050726 53.954286 539
  238.067366 1.45002 14
//