ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003002
RECORD_TITLE: 3-METHYLMERCAPTOPYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYLMERCAPTOPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NS
CH$EXACT_MASS: 125.02992
CH$SMILES: CSc(c1)cncc1
CH$IUPAC: InChI=1S/C6H7NS/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
CH$LINK: INCHIKEY AULOGPOZBOCNSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40172119
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-7900000000-c701a3cfea355e041707
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39 24 240
  45 8 80
  50 8 80
  51 1.3 13
  52 6 60
  57 7 70
  78 9 90
  79 0.15 2
  80 7 70
  83 19 190
  92 10 100
  110 0.22 2
  124 9 90
  125 99.99 999
  126 8 80
  127 5 50
//
