ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009801
RECORD_TITLE: 5,9-DIMETHYLDEC-8-EN-1-YN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 5,9-DIMETHYLDEC-8-EN-1-YN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O
CH$EXACT_MASS: 178.13577
CH$SMILES: C#CC(=O)CC(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C12H18O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h1,7,11H,6,8-9H2,2-4H3
CH$LINK: INCHIKEY YGQFGXUPZVFDTI-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00ke-9300000000-417fd7cdbbc499dee0d9
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  27 9.6 96
  28 2.8 28
  29 8.5 85
  39 1.59 16
  40 3.5 35
  41 72.3 723
  42 6.1 61
  43 1.2 12
  51 2.5 25
  53 45.1 451
  54 3.9 39
  55 3.93 39
  56 10.9 109
  57 2.5 25
  65 3.6 36
  67 2.13 21
  68 14.8 148
  69 87.1 871
  70 9.5 95
  77 0.71 7
  79 14.5 145
  80 7.2 72
  81 25.9 259
  82 0.79 8
  83 10.6 106
  91 8.4 84
  93 17.4 174
  94 0.57 6
  95 99.99 999
  96 12.1 121
  105 6.2 62
  107 2.03 20
  108 12.4 124
  109 15.8 158
  110 24.8 248
  111 0.3 3
  117 3.9 39
  119 5 50
  121 17.2 172
  122 0.5 5
  123 6.7 67
  134 3.4 34
  135 42.1 421
  136 1.19 12
  145 14.8 148
  149 4.5 45
  161 2 20
  163 6.59 66
  164 8.9 89
  177 3.2 32
//