ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003009
RECORD_TITLE: 3-TERT-BUTYLMERCAPTO-4-PHENYLPYRIDINE; 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$NAME: 3-TERT-BUTYLMERCAPTO-4-PHENYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H17NS
CH$EXACT_MASS: 243.10817
CH$SMILES: c(c2)ccc(c2)c(c1)c(cnc1)SC(C)(C)C
CH$IUPAC: InChI=1S/C15H17NS/c1-15(2,3)17-14-11-16-10-9-13(14)12-7-5-4-6-8-12/h4-11H,1-3H3
CH$LINK: INCHIKEY NQZOBJGIRUYUQQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:71435713
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: splash10-001i-9100000000-9a790d205a4f41b8ea01
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  32 55 550
  35 10 100
  41 5 50
  47 2.2 22
  49 17 170
  57 12 120
  84 99.99 999
  86 0.62 6
  88 11 110
  115 6 60
  186 21 210
  187 0.24 2
  243 3 30
//
