ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003007
RECORD_TITLE: 2-TERT-BUTYLMERCAPTO-4-TERT-BUTYLPYRIDINE; 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$NAME: 2-TERT-BUTYLMERCAPTO-4-TERT-BUTYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H21NS
CH$EXACT_MASS: 223.13947
CH$SMILES: CC(C)(C)c(c1)cc(nc1)SC(C)(C)C
CH$IUPAC: InChI=1S/C13H21NS/c1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6/h7-9H,1-6H3
CH$LINK: INCHIKEY XBWSTVPXZTUJJG-UHFFFAOYSA-N
AC$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$SPLASH: splash10-014i-5900000000-394090a88eac2ed3b2a0
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  29 16 160
  39 16 160
  41 33 330
  55 0.6 6
  56 9 90
  57 17 170
  152 28 280
  167 99.99 999
  168 13 130
  169 6 60
  223 4 40
//
