ACCESSION: MSBNK-EPA-ENTACT_AGILENT000933
RECORD_TITLE: HMR1426; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0udi-0900000000-62389210fc3eefb5e9c0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  51.022927 1.069988 10
  77.038577 16.139041 161
  102.046402 2.117989 21
  104.049476 100 999
  121.010647 3.937392 39
  137.015254 11.848489 118
  145.010647 2.67861 26
  146.018472 2.465263 24
  165.010169 1.333977 13
  180.987325 32.99667 329
  221.041947 4.92176 49
  250.044687 3.274928 32
//