ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008008
RECORD_TITLE: 2,6-DIMETHYL-6-ETHYLENEDIOXYMETHYL-1-CYCLOHEXENE-1-CARBALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2,6-DIMETHYL-6-ETHYLENEDIOXYMETHYL-1-CYCLOHEXENE-1-CARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O3
CH$EXACT_MASS: 210.12559
CH$SMILES: O=CC(=C(C)2)C(C)(CCC2)C(O1)OCC1
CH$IUPAC: InChI=1S/C12H18O3/c1-9-4-3-5-12(2,10(9)8-13)11-14-6-7-15-11/h8,11H,3-7H2,1-2H3
CH$LINK: INCHIKEY SBAZHOZEPDPTMC-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-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: splash10-00di-9100000000-567886fcf8c303967671
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  31 4.1 41
  39 3.96 40
  40 9.15 92
  41 10.08 101
  42 2.98 30
  43 13.75 138
  44 10.22 102
  45 16.19 162
  53 2.96 30
  55 8.14 81
  56 3.4 34
  57 5.91 59
  61 1.52 15
  65 1.77 18
  67 4.17 42
  69 6.71 67
  70 2.53 25
  71 3.45 35
  73 99.99 999
  74 4.74 47
  77 3.55 36
  79 3.58 36
  81 4.01 40
  82 3.15 32
  83 3.9 39
  84 1.64 16
  85 1.86 19
  87 1.58 16
  91 3.23 32
  93 4.77 48
  95 4.01 40
  96 1.99 20
  97 4.07 41
  105 2.06 21
  107 2.77 28
  108 2.08 21
  109 4.82 48
  111 2.29 23
  113 1.77 18
  123 1.84 18
  126 1.76 18
  129 1.62 16
  135 3.34 33
  136 2.29 23
  137 1.91 19
  153 1.85 19
  168 1.81 18
  169 2.66 27
  210 1.9 19
//
