ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008324
RECORD_TITLE: DIETHYL 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$NAME: DIETHYL SUCCINYLSUCCINATE
CH$NAME: DIETHYL 3,8-DIOXA-4,7-DIOXOCYCLOOCTANE-1,2-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₈
CH$EXACT_MASS: 288.08452
CH$SMILES: CCOC(=O)C(O1)C(OC(=O)CCC(=O)1)C(=O)OCC
CH$IUPAC: InChI=1S/C12H16O8/c1-3-17-11(15)9-10(12(16)18-4-2)20-8(14)6-5-7(13)19-9/h9-10H,3-6H2,1-2H3
CH$LINK: INCHIKEY PIHBRGVADPXIIF-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$SPLASH: splash10-06vu-6930000000-fc77550128c304271138
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  27 61.54 615
  29 96.21 962
  31 18.3 183
  39 7.74 77
  40 0.48 5
  41 13.25 133
  43 8.89 89
  45 20.32 203
  52 7.04 70
  53 22.39 224
  54 13.56 136
  55 60.01 600
  56 3.11 31
  68 5.61 56
  69 14.98 150
  71 5.87 59
  72 6.89 69
  73 28.88 289
  80 7.27 73
  81 18.83 188
  82 7.79 78
  83 10.6 106
  87 2.92 29
  96 34.89 349
  97 5.79 58
  98 6.73 67
  99 24.65 247
  100 6.76 68
  101 25.5 255
  107 3.45 35
  108 16.77 168
  109 22.97 230
  110 10.23 102
  111 15.9 159
  114 48.55 486
  115 4.68 47
  125 2.2 22
  126 9.86 99
  127 13.31 133
  128 1.23 12
  129 4.22 42
  135 9.75 98
  136 64.3 643
  137 93.19 932
  138 11.74 117
  139 1.8 18
  142 99.99 999
  143 7.83 78
  153 10.76 108
  154 12.22 122
  155 19.29 193
  163 6.55 66
  164 32.94 329
  165 38.15 382
  166 3.91 39
  181 36.05 361
  182 27.32 273
  183 20.46 205
  184 0.86 9
  192 26.9 269
  193 3.82 38
  199 9.56 96
  209 8.8 88
  210 90.76 908
  211 36.8 368
  212 3.69 37
  227 35.62 356
  228 4.76 48
  238 10.69 107
  255 0.93 9
  256 76.21 762
  257 9.74 97
//