ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005532
RECORD_TITLE: 1,3,4,6-TETRAMETHYL-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,3,4,6-TETRAMETHYL-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: CC(=C(C)2)OC(C)(C1)C(C)(C(=O)2)1
CH$IUPAC: InChI=1S/C10H14O2/c1-6-7(2)12-10(4)5-9(10,3)8(6)11/h5H2,1-4H3
CH$LINK: INCHIKEY VCFJZOLLJFVYCM-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMS-6L
AC$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$SPLASH: splash10-00mo-9200000000-b4a788e5a21d4fb5970f
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  27 3.4 34
  28 24 240
  29 77.1 771
  30 5.1 51
  38 2.9 29
  39 35.4 354
  40 8 80
  41 48 480
  42 5.1 51
  43 99.99 999
  44 2.9 29
  50 2.9 29
  51 5.7 57
  52 3.4 34
  53 15.4 154
  54 48 480
  55 9.7 97
  56 1.7 17
  57 5.7 57
  63 1.7 17
  65 2.9 29
  66 1.7 17
  67 16.6 166
  68 2.9 29
  69 54.3 543
  70 4 40
  71 1.1 11
  77 3.4 34
  78 1.1 11
  79 3.4 34
  80 1.7 17
  81 2.9 29
  82 2.3 23
  83 3.4 34
  84 1.7 17
  85 9.7 97
  91 1.7 17
  93 1.7 17
  95 5.7 57
  97 4.6 46
  99 9.7 97
  105 1.7 17
  107 1.7 17
  108 1.7 17
  109 17.1 171
  110 1.7 17
  111 1.7 17
  112 2.9 29
  113 1.7 17
  121 1.1 11
  122 1.1 11
  123 25.7 257
  124 15.4 154
  125 4.6 46
  126 20 200
  127 1.7 17
  137 5.7 57
  138 1.1 11
  149 1.1 11
  151 23.4 234
  152 2.9 29
  165 1.7 17
  166 34.3 343
  167 6.9 69
  168 1.1 11
//