ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008323
RECORD_TITLE: DIMETHYL SUCCINYLSUCCINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL SUCCINYLSUCCINATE
CH$NAME: DIMETHYL 3,8-DIOXA-4,7-DIOXOCYCLOOCTANE-1,2-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₈
CH$EXACT_MASS: 260.05322
CH$SMILES: COC(=O)C(O1)C(OC(=O)CCC(=O)1)C(=O)OC
CH$IUPAC: InChI=1S/C10H12O8/c1-15-9(13)7-8(10(14)16-2)18-6(12)4-3-5(11)17-7/h7-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY QAMRXMRHRZVZGF-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-004r-6910000000-90bee0d5fdef1a122026
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  15 36.09 361
  26 2.79 28
  27 22.49 225
  29 8.87 89
  31 10.24 102
  39 9.31 93
  40 6.67 67
  41 12.73 127
  42 5.37 54
  43 7.45 75
  45 6.35 64
  51 4.34 43
  52 8.64 86
  53 23.33 233
  54 12.79 128
  55 53.51 535
  56 3.93 39
  57 3.23 32
  59 21.96 220
  63 1.08 11
  68 9.86 99
  69 16.77 168
  70 2.17 22
  71 1.91 19
  79 3 30
  80 7.2 72
  81 12.6 126
  82 7.92 79
  83 9.99 100
  85 5.72 57
  86 5.16 52
  87 20.97 210
  95 0.86 9
  96 38.03 380
  97 5.17 52
  98 4.67 47
  99 3.94 39
  101 3.15 32
  107 4.99 50
  108 15.25 153
  109 15.61 156
  110 7.16 72
  111 1.24 12
  112 3.62 36
  113 22.6 226
  114 5.07 51
  115 7.16 72
  119 2.2 22
  125 3.16 32
  128 99.99 999
  129 6.56 66
  135 6.37 64
  136 42.74 427
  137 54.97 550
  138 4.95 50
  139 1.42 14
  140 7.26 73
  141 5.59 56
  142 0.36 4
  151 2.23 22
  155 0.55 6
  162 1.96 20
  163 3.7 37
  164 14.61 146
  165 25.38 254
  166 2.41 24
  167 12.4 124
  168 14.14 141
  169 12.89 129
  170 0.69 7
  178 29.15 292
  179 4.46 45
  181 4.81 48
  194 1.91 19
  195 6.2 62
  196 56.42 564
  197 21.24 212
  198 1.79 18
  199 11.25 113
  200 1.75 18
  210 10.45 105
  211 1.07 11
  213 9 90
  227 2.08 21
  228 62.99 630
  229 6.91 69
  230 0.45 5
//