ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012102
RECORD_TITLE: 1,3-BENZENDIOL BIS(2-PROPENYL)ETHER BISEPOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-BENZENDIOL BIS(2-PROPENYL)ETHER BISEPOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₄
CH$EXACT_MASS: 222.08921
CH$SMILES: c(c1)cc(OCC(O3)C3)cc1OCC(O2)C2
CH$IUPAC: InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
CH$LINK: INCHIKEY WPYCRFCQABTEKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020470

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$SPLASH: splash10-00di-9640000000-92e200fa60c09517dc94
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  38 3.5 35
  39 12.4 124
  41 11.5 115
  43 6.4 64
  50 3.1 31
  51 4.3 43
  52 4.6 46
  53 6.4 64
  55 6.6 66
  57 63.8 638
  58 3.1 31
  63 9.1 91
  64 11 110
  65 11.2 112
  66 2.8 28
  67 3.8 38
  68 3.4 34
  69 5.9 59
  76 2.4 24
  77 12.4 124
  78 2.9 29
  79 7.1 71
  80 2.8 28
  81 7.4 74
  82 8.7 87
  91 9 90
  92 8.1 81
  93 9.5 95
  94 3.4 34
  95 5.4 54
  103 5.2 52
  105 4.3 43
  107 10.9 109
  108 3.6 36
  109 2.2 22
  110 35 350
  111 3.5 35
  119 5.2 52
  121 4.1 41
  123 17.6 176
  124 2.7 27
  133 2.1 21
  134 4.5 45
  135 8.8 88
  136 10.9 109
  137 4.2 42
  147 2.5 25
  149 10.4 104
  163 2.8 28
  166 27.9 279
  167 3.1 31
  192 4.3 43
  222 99.99 999
  223 21.1 211
  224 3.1 31
//