ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003021
RECORD_TITLE: 2-TERT-BUTYLMERCAPTO-4,5-LUTIDINE; 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$NAME: 2-TERT-BUTYLMERCAPTO-4,5-LUTIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17NS
CH$EXACT_MASS: 195.10817
CH$SMILES: Cc(c1)c(C)cc(n1)SC(C)(C)C
CH$IUPAC: InChI=1S/C11H17NS/c1-8-6-10(12-7-9(8)2)13-11(3,4)5/h6-7H,1-5H3
CH$LINK: INCHIKEY BWBRWDDRRDAUJY-UHFFFAOYSA-N
AC$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$SPLASH: splash10-000i-3900000000-4ca25b5a14a7629d3684
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  29 5 50
  39 6 60
  41 7 70
  57 0.6 6
  77 5 50
  94 7 70
  95 18 180
  139 99.99 999
  140 12 120
  141 5 50
  180 1 10
  195 0.07 1
  196 1.4 14
//
