ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003022
RECORD_TITLE: 3-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$NAME: 3-TERT-BUTYLMERCAPTO-4,5-LUTIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17NS
CH$EXACT_MASS: 195.10817
CH$SMILES: Cc(c1)c(C)c(cn1)SC(C)(C)C
CH$IUPAC: InChI=1S/C11H17NS/c1-8-6-12-7-10(9(8)2)13-11(3,4)5/h6-7H,1-5H3
CH$LINK: INCHIKEY NKEYQJJYGCIRKM-UHFFFAOYSA-N
AC$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$SPLASH: splash10-000i-2900000000-0138e6614289a217f946
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  29 8 80
  39 8 80
  41 16 160
  57 3 30
  67 7 70
  106 9 90
  138 7 70
  139 99.99 999
  140 11 110
  141 5 50
  180 1 10
  195 0.12 1
  196 1.5 15
//
