ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003000
RECORD_TITLE: 3-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$NAME: 3-TERT-BUTYLMERCAPTOPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NS
CH$EXACT_MASS: 167.07687
CH$SMILES: CC(C)(C)Sc(c1)cncc1
CH$IUPAC: InChI=1S/C9H13NS/c1-9(2,3)11-8-5-4-6-10-7-8/h4-7H,1-3H3
CH$LINK: INCHIKEY OMPJHXLULXOAFP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40307641
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: splash10-08fr-9600000000-d1d25e19d8cc5f3990aa
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29 27 270
  39 39 390
  41 35 350
  51 0.6 6
  57 73 730
  67 12 120
  83 8 80
  84 0.05 1
  110 5 50
  111 99.99 999
  112 12 120
  113 0.04 0
  167 15 150
  168 3 30
//
