ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002996
RECORD_TITLE: 4-TERT-BUTYLMERCAPTOPYRIDINECAPTOPYRIDINE; 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$NAME: 4-TERT-BUTYLMERCAPTOPYRIDINECAPTOPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃NS
CH$EXACT_MASS: 167.07687
CH$SMILES: CC(C)(C)Sc(c1)ccnc1
CH$IUPAC: InChI=1S/C9H13NS/c1-9(2,3)11-8-4-6-10-7-5-8/h4-7H,1-3H3
CH$LINK: INCHIKEY ZEROTOAVTDOIRS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80307640

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$SPLASH: splash10-0bt9-9500000000-d559545a786a3c454fd3
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29 31 310
  32 9 90
  39 24 240
  41 5 50
  51 1 10
  55 6 60
  56 5 50
  57 99.99 999
  58 6 60
  59 7 70
  67 12 120
  83 0.05 1
  84 3 30
  110 4 40
  111 84 840
  112 0.2 2
  113 5 50
  152 4 40
  167 22 220
  168 0.03 0
  169 1.5 15
//