ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002999
RECORD_TITLE: 2-TERT-BUTYLMERCAPTOPYRIDINE; 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$NAME: 2-TERT-BUTYLMERCAPTOPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NS
CH$EXACT_MASS: 167.07687
CH$SMILES: CC(C)(C)Sc(c1)nccc1
CH$IUPAC: InChI=1S/C9H13NS/c1-9(2,3)11-8-6-4-5-7-10-8/h4-7H,1-3H3
CH$LINK: INCHIKEY CZTNOVDJLZJTSA-UHFFFAOYSA-N
AC$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$SPLASH: splash10-03di-9800000000-1fea3da88350a1d0d71a
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29 17 170
  39 20 200
  41 21 210
  50 0.8 8
  56 21 210
  67 41 410
  78 11 110
  83 0.03 0
  111 99.99 999
  112 16 160
  113 5 50
  152 0.02 0
  167 7 70
  168 1 10
//
