ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001217
RECORD_TITLE: 2,5-DIACETOXY-2,5-DIMETHYL-3-HEXYNE; 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$NAME: 2,5-DIACETOXY-2,5-DIMETHYL-3-HEXYNE
CH$NAME: 1,1,4,4-TETRAMETHYL-2-BUTYNYLENE DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O4
CH$EXACT_MASS: 226.12051
CH$SMILES: CC(=O)OC(C)(C)C#CC(C)(C)OC(C)=O
CH$IUPAC: InChI=1S/C12H18O4/c1-9(13)15-11(3,4)7-8-12(5,6)16-10(2)14/h1-6H3
CH$LINK: INCHIKEY JTSBDFUPOCMOBR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10325397
AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-4900000000-41d1a91aa5279ce9efa6
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  18 1.5 15
  26 3.5 35
  43 26 260
  55 0.35 4
  58 5 50
  65 1 10
  67 1 10
  68 1.1 11
  69 16 160
  70 6 60
  73 1.5 15
  75 1.7 17
  76 1 10
  77 14 140
  78 3 30
  80 1.7 17
  81 1 10
  82 14 140
  83 3 30
  92 0.2 2
  97 4 40
  98 3 30
  99 2.5 25
  100 5.5 55
  101 3 30
  107 19 190
  108 3 30
  109 4 40
  110 4 40
  121 7 70
  122 44 440
  123 1.8 18
  124 4 40
  125 6.5 65
  142 2 20
  143 99.99 999
  144 10 100
  167 8 80
  168 1.5 15
  169 0.1 1
  182 22 220
  183 2 20
//
