ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003028
RECORD_TITLE: 1-ACETYL-4-TERT-BUTYL-2,3,6-TRI-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$NAME: 1-ACETYL-4-TERT-BUTYL-2,3,6-TRI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDROPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H43NOS3
CH$EXACT_MASS: 445.25068
CH$SMILES: CC(C)(C)SC(C([H])=1)N(C(C)=O)C(SC(C)(C)C)C(SC(C)(C)C)C(C(C)(C)C)1
CH$IUPAC: InChI=1S/C23H43NOS3/c1-15(25)24-17(26-21(5,6)7)14-16(20(2,3)4)18(27-22(8,9)10)19(24)28-23(11,12)13/h14,17-19H,1-13H3
CH$LINK: INCHIKEY ZBWZKEOLLOJBAI-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4l-9100000000-96553e831bbd030009da
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  29 31 310
  32 15 150
  39 26 260
  40 0.5 5
  41 67 670
  42 6 60
  43 18 180
  50 0.05 1
  51 9 90
  55 11 110
  56 12 120
  57 99.99 999
  58 5 50
  59 5 50
  65 6 60
  75 0.05 1
  90 9 90
  92 16 160
  94 5 50
  120 0.42 4
  121 7 70
  135 16 160
  136 10 100
  168 0.06 1
  178 4 40
  185 1 10
  210 4 40
  244 0.01 0
  356 11 110
//
