ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002461
RECORD_TITLE: (4R,5R)-4,5-BIS(ETHOXYCARBONYL)-2,2-DIMETHYL-1,3-DIOXOLANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (4R,5R)-4,5-BIS(ETHOXYCARBONYL)-2,2-DIMETHYL-1,3-DIOXOLANE
CH$NAME: DIETHYL (4R,5R)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O₆
CH$EXACT_MASS: 246.11034
CH$SMILES: CCOC(=O)C([H])(O1)C([H])(C(=O)OCC)OC(C)(C)1
CH$IUPAC: InChI=1S/C11H18O6/c1-5-14-9(12)7-8(10(13)15-6-2)17-11(3,4)16-7/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
CH$LINK: INCHIKEY MCNKHXZIPATURB-HTQZYQBOSA-N
CH$LINK: COMPTOX DTXSID30975191

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 13.5 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-5980000000-3ebb55bcfeab92e9bdc4
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  40 4 40
  42 6.3 63
  43 4.5 45
  44 0.72 7
  45 7.6 76
  46 1.8 18
  54 2.2 22
  56 0.98 10
  57 1.8 18
  58 31.4 314
  70 2.2 22
  71 1.83 18
  74 2.2 22
  82 6.3 63
  83 3.6 36
  84 0.27 3
  85 17 170
  87 7.2 72
  88 4 40
  89 0.18 2
  98 6.3 63
  100 4.9 49
  101 2.2 22
  110 0.45 5
  111 20.1 201
  114 10.3 103
  115 19.7 197
  117 0.4 4
  126 2.7 27
  128 5.4 54
  129 3.1 31
  132 0.27 3
  139 1.8 18
  143 35.6 356
  145 4 40
  154 0.31 3
  155 37.3 373
  159 1.8 18
  161 5.8 58
  173 2.55 26
  174 3.6 36
  175 2.7 27
  187 1.8 18
  188 4.31 43
  227 3.1 31
  228 2.7 27
  229 3.6 36
  231 99.99 999
  232 31.4 314
  233 14.3 143
  246 3.1 31
//