ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010168
RECORD_TITLE: DIMETHYL 2,5-DIMETHYLPERHYDROPYRROLO(3,4-C)PYRROLE-3A,6A-DICARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL 2,5-DIMETHYLPERHYDROPYRROLO(3,4-C)PYRROLE-3A,6A-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀N₂O₄
CH$EXACT_MASS: 256.14231
CH$SMILES: COC(=O)C(C2)(C1)C(CN(C)2)(CN(C)1)C(=O)OC
CH$IUPAC: InChI=1S/C12H20N2O4/c1-13-5-11(9(15)17-3)7-14(2)8-12(11,6-13)10(16)18-4/h5-8H2,1-4H3
CH$LINK: INCHIKEY PXMWCPHTPVACCP-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9630000000-21faf20cf50226462932
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  42 5.08 51
  43 24.91 249
  44 5.12 51
  45 15.67 157
  54 5.51 55
  58 99.99 999
  59 11.11 111
  68 5.15 52
  69 6.81 68
  94 21.84 218
  95 6.34 63
  96 6.78 68
  108 6.49 65
  122 10.5 105
  128 19.46 195
  139 5.52 55
  152 11.97 120
  153 6.19 62
  154 17.95 180
  157 7.65 77
  166 18.81 188
  180 34.06 341
  181 15.72 157
  182 5.03 50
  197 4.55 46
  212 13.86 139
  213 7.12 71
  225 14.9 149
  256 31.56 316
  257 4.5 45
//