ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003006
RECORD_TITLE: 3-TERT-BUTYLMERCAPTO-4-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$NAME: 3-TERT-BUTYLMERCAPTO-4-PICOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NS
CH$EXACT_MASS: 181.09252
CH$SMILES: Cc(c1)c(cnc1)SC(C)(C)C
CH$IUPAC: InChI=1S/C10H15NS/c1-8-5-6-11-7-9(8)12-10(2,3)4/h5-7H,1-4H3
CH$LINK: INCHIKEY WPQGKFHEPSYERL-UHFFFAOYSA-N
AC$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$SPLASH: splash10-004i-9600000000-d2bfd7308fb6f69df7f8
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29 20 200
  39 17 170
  41 24 240
  45 0.9 9
  51 5 50
  53 18 180
  57 59 590
  65 0.04 0
  79 6 60
  80 6 60
  97 7 70
  124 0.09 1
  125 99.99 999
  126 12 120
  127 5 50
  181 0.16 2
  182 2 20
//
