ACCESSION: MSBNK-EPA-ENTACT_AGILENT000906
RECORD_TITLE: Dehydrothio-4-toluidine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Dehydrothio-4-toluidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂N₂S
CH$EXACT_MASS: 240.0721191276
CH$SMILES: CC1C=C2SC(=NC2=CC=1)C1C=CC(N)=CC=1
CH$IUPAC: InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3
CH$LINK: CAS 92-36-4
CH$LINK: INCHIKEY XRTJYEIMLZALBD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7087

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$FOCUSED_ION: PRECURSOR_M/Z 241.0793955793
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0090000000-a2ac81bbb5ec0e73d4a6
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  44.979347 1.166385 11
  118.05255 1.576597 15
  123.026297 5.023981 50
  226.05592 1.51963 15
  241.079396 99.999995 999
//