ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012076
RECORD_TITLE: 9,9-DIETHOXY-7-NONYN-6-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$NAME: 9,9-DIETHOXY-7-NONYN-6-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₃
CH$EXACT_MASS: 228.17254
CH$SMILES: CCCCCC(O)C#CC(OCC)OCC
CH$IUPAC: InChI=1S/C13H24O3/c1-4-7-8-9-12(14)10-11-13(15-5-2)16-6-3/h12-14H,4-9H2,1-3H3
CH$LINK: INCHIKEY HKKTYOXRKSVGMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80448466

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$SPLASH: splash10-053r-9600000000-dfbb58854c2307e99ce6
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  27 1.49 15
  29 10.09 101
  31 1.38 14
  41 8.48 85
  42 2.6 26
  43 17.66 177
  44 1.97 20
  45 3.32 33
  47 3.99 40
  53 1.51 15
  55 23.54 235
  56 8.52 85
  57 56.15 562
  58 2.95 30
  59 7.95 80
  60 9.11 91
  61 1.38 14
  67 16.44 164
  68 2.19 22
  69 12.71 127
  70 8.32 83
  71 14.12 141
  72 2.42 24
  73 7.94 79
  75 4.87 49
  79 3.8 38
  81 10.99 110
  82 3.73 37
  83 34.64 346
  84 11.89 119
  85 45.85 459
  86 3.45 35
  87 4.52 45
  91 1.93 19
  93 4.78 48
  95 13.21 132
  96 1.95 20
  97 6.26 63
  98 2.62 26
  99 16.1 161
  100 1.86 19
  101 6.98 70
  103 9.07 91
  107 3.81 38
  109 19.8 198
  110 2.9 29
  111 26.39 264
  112 14.48 145
  113 3.99 40
  114 1.11 11
  116 1.49 15
  117 4.04 40
  119 2.15 22
  123 1.61 16
  124 1.48 15
  125 4.75 48
  126 1.19 12
  127 4.16 42
  128 1.06 11
  129 3.1 31
  135 1.15 12
  137 3.43 34
  139 5.01 50
  141 2.74 27
  153 2.54 25
  154 4.74 47
  155 3.89 39
  157 1.03 10
  165 1.31 13
  169 2.83 28
  181 13.8 138
  182 3.45 35
  183 99.99 999
  184 12.64 126
  185 1.54 15
  211 1.29 13
  227 3.36 34
  228 0.49 5
//