ACCESSION: MSBNK-EPA-ENTACT_AGILENT000931
RECORD_TITLE: HMR1426; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: HMR1426
CH$NAME: DTXSID9047338
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂ClNOS
CH$EXACT_MASS: 301.0328124525
CH$SMILES: OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C16H12ClNOS/c17-12-6-7-13-11(8-12)9-14-16(13,19)18-15(20-14)10-4-2-1-3-5-10/h1-8,14,19H,9H2
CH$LINK: CAS 262376-75-0
CH$LINK: INCHIKEY RUBKYBIDEVUTQU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9882837

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$FOCUSED_ION: PRECURSOR_M/Z 302.0400889042
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0409000000-54d4989aac47a151a655
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  104.049476 18.916526 188
  165.010169 1.640172 16
  180.987325 7.014092 70
  198.99789 24.600655 245
  285.01354 10.45555 104
  302.040089 100 999
//