ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003026
RECORD_TITLE: 2-ACETOXY-1-ACETYL-3,6-DI-(METHYLMERCAPTO)-1,2,3,6-TETRAHYDRO-PYRIDINE; 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$NAME: 2-ACETOXY-1-ACETYL-3,6-DI-(METHYLMERCAPTO)-1,2,3,6-TETRAHYDRO-PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO₃S₂
CH$EXACT_MASS: 275.06498
CH$SMILES: CC(=O)OC(C(SC)1)N(C(C)=O)C(SC)C=C1
CH$IUPAC: InChI=1S/C11H17NO3S2/c1-7(13)12-10(17-4)6-5-9(16-3)11(12)15-8(2)14/h5-6,9-11H,1-4H3
CH$LINK: INCHIKEY XAZHRGHFTLBESJ-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$SPLASH: splash10-004l-9500000000-acdba125056f431c1102
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  32 6 60
  33 7 70
  39 10 100
  41 1 10
  43 84 840
  45 20 200
  46 5 50
  47 0.14 1
  48 8 80
  51 6 60
  52 10 100
  53 0.17 2
  54 7 70
  68 8 80
  78 12 120
  79 0.25 3
  80 52 520
  90 17 170
  96 42 420
  111 0.06 1
  112 8 80
  125 27 270
  126 99.99 999
  127 0.12 1
  128 6 60
  138 12 120
  168 23 230
  228 0.38 4
  275 4 40
  276 1 10
//