ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012075
RECORD_TITLE: 6,6-DIETHOXY-4-HEXYN-3-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 6,6-DIETHOXY-4-HEXYN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₃
CH$EXACT_MASS: 186.12559
CH$SMILES: CCOC(OCC)C#CC(O)CC
CH$IUPAC: InChI=1S/C10H18O3/c1-4-9(11)7-8-10(12-5-2)13-6-3/h9-11H,4-6H2,1-3H3
CH$LINK: INCHIKEY KMQZWLILQMKVEI-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0006-9800000000-8e7987f539ed410d9265
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  27 1.3 13
  29 12.94 129
  31 1.08 11
  41 10.84 108
  43 17.7 177
  45 1.68 17
  47 3.47 35
  53 1.54 15
  55 7.92 79
  57 20.8 208
  58 1.23 12
  59 2.26 23
  65 1.72 17
  67 18.18 182
  68 1.31 13
  69 1.79 18
  71 6.66 67
  73 1.03 10
  75 3 30
  81 1.54 15
  82 1.12 11
  83 10.11 101
  84 4.66 47
  85 27.7 277
  86 1.68 17
  95 10.13 101
  96 1.02 10
  97 1.58 16
  99 2.6 26
  101 1.48 15
  103 4.14 41
  111 22.46 225
  112 3.34 33
  113 6.86 69
  127 2.81 28
  139 12.33 123
  140 1.63 16
  141 99.99 999
  142 8.88 89
  169 1.11 11
  185 2.53 25
  186 0.26 3
//