ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012074
RECORD_TITLE: 7,7-DIETHOXY-5-HEPTYN-4-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$NAME: 7,7-DIETHOXY-5-HEPTYN-4-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₃
CH$EXACT_MASS: 200.14124
CH$SMILES: CCCC(O)C#CC(OCC)OCC
CH$IUPAC: InChI=1S/C11H20O3/c1-4-7-10(12)8-9-11(13-5-2)14-6-3/h10-12H,4-7H2,1-3H3
CH$LINK: INCHIKEY RGYUCYLKZOICPG-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$SPLASH: splash10-0a4i-9600000000-fd52f214913dc7e949e1
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 1.26 13
  29 8.83 88
  41 5.65 57
  43 11.6 116
  45 1.53 15
  47 3.74 37
  53 3.06 31
  55 11.43 114
  56 1.91 19
  57 80.1 801
  58 2.85 29
  67 2.96 30
  69 2.43 24
  71 8.78 88
  73 1.77 18
  75 3.08 31
  79 4.07 41
  81 20.02 200
  82 1.64 16
  83 10.36 104
  84 6.23 62
  85 13.55 136
  89 2.14 21
  97 2.65 27
  99 10.67 107
  101 2.35 24
  103 4.13 41
  107 1.39 14
  109 4.82 48
  111 12.69 127
  112 2.87 29
  125 3.25 33
  127 5.9 59
  129 1.22 12
  153 3.49 35
  155 99.99 999
  156 10.27 103
  157 1.02 10
  199 2.68 27
  200 0.34 3
//