ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003029
RECORD_TITLE: 2-ACETOXY-1-ACETYL-4-TERT-BUTYL-3,6-DI-TERT-BUTYLMERCAPTO-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$NAME: 2-ACETOXY-1-ACETYL-4-TERT-BUTYL-3,6-DI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDROPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H37NO3S2
CH$EXACT_MASS: 415.22149
CH$SMILES: CC(=O)OC(N(C(C)=O)1)C(SC(C)(C)C)C(C(C)(C)C)=CC(SC(C)(C)C)1
CH$IUPAC: InChI=1S/C21H37NO3S2/c1-13(23)22-16(26-20(6,7)8)12-15(19(3,4)5)17(27-21(9,10)11)18(22)25-14(2)24/h12,16-18H,1-11H3
CH$LINK: INCHIKEY HVGSPMLKOZDGFJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:546569
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: splash10-06b9-7923000000-87b55bbbaf5a7e7538fe
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  29 22 220
  32 10 100
  39 15 150
  41 4.5 45
  43 58 580
  45 9 90
  55 8 80
  56 0.07 1
  57 99.99 999
  58 5 50
  59 5 50
  60 0.05 1
  65 4 40
  75 5 50
  77 5 50
  90 0.07 1
  92 14 140
  106 10 100
  120 52 520
  121 0.17 2
  125 27 270
  132 8 80
  134 6 60
  135 0.16 2
  136 50 500
  137 6 60
  152 25 250
  153 0.06 1
  167 25 250
  168 95 950
  169 13 130
  178 0.1 1
  194 10 100
  210 54 540
  211 7 70
  223 0.07 1
  224 17 170
  225 4 40
  228 5 50
  266 0.1 1
  284 3 30
  326 93 930
  327 20 200
  328 7 70
//
