ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003017
RECORD_TITLE: 3-TERT-BUTYLMERCAPTO-5-PICOLINE; 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$NAME: 3-TERT-BUTYLMERCAPTO-5-PICOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NS
CH$EXACT_MASS: 181.09252
CH$SMILES: Cc(c1)cc(cn1)SC(C)(C)C
CH$IUPAC: InChI=1S/C10H15NS/c1-8-5-9(7-11-6-8)12-10(2,3)4/h5-7H,1-4H3
CH$LINK: INCHIKEY ASCYFBRLXRDIQH-UHFFFAOYSA-N
AC$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$SPLASH: splash10-004i-7900000000-9d1cc2fee5ae417d1dc6
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  29 10 100
  39 10 100
  41 17 170
  45 0.5 5
  53 12 120
  57 43 430
  81 8 80
  97 0.06 1
  125 99.99 999
  126 11 110
  181 13 130
  182 1.8 18
//
