ACCESSION: MSBNK-EPA-ENTACT_AGILENT000932
RECORD_TITLE: HMR1426; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0udi-0910000000-ae129142ab7228920a38
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  57.069877 3.390831 33
  102.09134 1.595703 15
  104.049476 99.999999 999
  109.101177 1.240337 12
  121.010647 4.296616 42
  138.037196 2.81921 28
  165.010169 11.052029 110
  171.002975 2.974801 29
  180.987325 45.141218 450
  198.99789 30.140294 301
  250.045174 3.518986 35
  257.018625 1.674017 16
  284.029524 1.164811 11
  285.01354 21.87048 218
  302.040089 11.266224 112
//