ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003030
RECORD_TITLE: 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE; 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$NAME: 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H33NO3S2
CH$EXACT_MASS: 435.19019
CH$SMILES: CC(=O)OC(N(C(C)=O)1)C(SC(C)(C)C)C(c(c2)cccc2)=CC(SC(C)(C)C)1
CH$IUPAC: InChI=1S/C23H33NO3S2/c1-15(25)24-19(28-22(3,4)5)14-18(17-12-10-9-11-13-17)20(29-23(6,7)8)21(24)27-16(2)26/h9-14,19-21H,1-8H3
CH$LINK: INCHIKEY ZWFZFSUFGXNYAX-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4r-7901000000-d14dbe3fd8f522d62ad2
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  29 20 200
  32 9 90
  39 13 130
  41 4 40
  43 42 420
  45 9 90
  50 6 60
  51 0.06 1
  55 5 50
  56 6 60
  57 99.99 999
  60 0.06 1
  75 6 60
  77 6 60
  90 6 60
  102 0.05 1
  115 18 180
  127 10 100
  128 9 90
  132 0.07 1
  154 20 200
  155 52 520
  156 43 430
  157 0.06 1
  172 20 200
  186 46 460
  187 63 630
  188 0.43 4
  189 11 110
  214 8 80
  243 9 90
  244 0.18 2
  286 7 70
  346 38 380
  347 8 80
  376 0.8 8
//
