ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006373
RECORD_TITLE: DIETHYL 1,1-CYCLOPROPANEDICARBOXYLATE; 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$NAME: DIETHYL 1,1-CYCLOPROPANEDICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O₄
CH$EXACT_MASS: 186.08921
CH$SMILES: CCOC(=O)C(C1)(C1)C(=O)OCC
CH$IUPAC: InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3
CH$LINK: CAS 1559-02-0
CH$LINK: INCHIKEY KYYUCZOHNYSLFV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80165984

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$SPLASH: splash10-03dl-3900000000-386aa6d0ba2304031463
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  30 1.18 12
  31 2.33 23
  39 10.71 107
  40 9.01 90
  41 14.92 149
  42 1.66 17
  45 6.52 65
  53 2.12 21
  54 1.97 20
  55 1.97 20
  57 2.04 20
  59 1.21 12
  67 1.71 17
  68 11.61 116
  69 11.04 110
  71 1.19 12
  82 7.14 71
  83 1.47 15
  84 5.38 54
  85 10.98 110
  86 17.09 171
  87 1.57 16
  95 12.05 121
  96 1.72 17
  97 5 50
  99 3 30
  111 1.25 13
  112 48.25 483
  113 60.9 609
  114 23.55 236
  129 1.09 11
  130 43.39 434
  131 4.76 48
  140 4.78 48
  141 99.99 999
  142 10.52 105
  143 1.82 18
  158 27.07 271
  159 22 220
  160 2.43 24
  186 5.37 54
//