ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003008
RECORD_TITLE: 3-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$NAME: 3-TERT-BUTYLMERCAPTO-4-TERT-BUTYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H21NS
CH$EXACT_MASS: 223.13947
CH$SMILES: CC(C)(C)Sc(c1)c(ccn1)C(C)(C)C
CH$IUPAC: InChI=1S/C13H21NS/c1-12(2,3)10-7-8-14-9-11(10)15-13(4,5)6/h7-9H,1-6H3
CH$LINK: INCHIKEY IHFTTWBCVPSHEW-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0aor-9400000000-41e726d152242b339600
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  29 45 450
  39 23 230
  41 48 480
  45 0.5 5
  55 6 60
  57 99.99 999
  65 7 70
  125 0.64 6
  126 7 70
  136 8 80
  150 6 60
  152 0.58 6
  153 7 70
  166 9 90
  167 72 720
  168 0.11 1
  223 12 120
  224 2 20
//
