ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003023
RECORD_TITLE: 4-(TERT-BUTYLMERCAPTO)-METYL-3-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$NAME: 4-(TERT-BUTYLMERCAPTO)-METYL-3-PICOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17NS
CH$EXACT_MASS: 195.10817
CH$SMILES: Cc(c1)c(ccn1)CSC(C)(C)C
CH$IUPAC: InChI=1S/C11H17NS/c1-9-7-12-6-5-10(9)8-13-11(2,3)4/h5-7H,8H2,1-4H3
CH$LINK: INCHIKEY XFHWIZOKZFCTND-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4r-7900000000-121ca1e4eabd6694cec9
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  29 18 180
  31 12 120
  39 18 180
  41 2.6 26
  45 8 80
  51 8 80
  52 5 50
  53 0.08 1
  57 81 810
  65 8 80
  77 15 150
  78 0.07 1
  79 8 80
  93 11 110
  94 5 50
  105 0.21 2
  106 71 710
  107 9 90
  124 5 50
  138 0.1 1
  139 99.99 999
  140 13 130
  141 5 50
  180 0.03 0
  195 41 410
  196 5.4 54
//
