ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010235
RECORD_TITLE: 4-ETHOXYCARBONYL-5-METHYL-6-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-TRANS-6,6A-CIS); 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$NAME: 4-ETHOXYCARBONYL-5-METHYL-6-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-TRANS-6,6A-CIS)
CH$NAME: (4R,6R)-4-ETHOXYCARBONYL-5-METHYL-6-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H24N2O4
CH$EXACT_MASS: 392.17361
CH$SMILES: CCOC(=O)C([H])(N(C)1)C([H])(C(=O)3)C([H])(C(=O)N(c(c4)ccc(C)c4)3)C([H])(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C23H24N2O4/c1-4-29-23(28)20-18-17(19(24(20)3)15-8-6-5-7-9-15)21(26)25(22(18)27)16-12-10-14(2)11-13-16/h5-13,17-20H,4H2,1-3H3/t17-,18+,19+,20-/m1/s1
CH$LINK: INCHIKEY VGSBKCSOMUUVGJ-FUMNGEBKSA-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$SPLASH: splash10-014i-2609000000-3274286cfd13ad4b4709
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  39 1.92 19
  42 12.24 122
  43 1.08 11
  51 1.51 15
  65 1.58 16
  77 3.57 36
  78 1.52 15
  81 1.51 15
  89 1.35 14
  90 1.5 15
  91 8.32 83
  103 1.51 15
  104 1.48 15
  115 5.86 59
  116 3.05 31
  117 4.12 41
  118 2.26 23
  128 1.39 14
  129 1.14 11
  131 2.65 27
  132 2.91 29
  133 1.71 17
  143 10.33 103
  144 1.66 17
  156 1.79 18
  157 2.78 28
  158 41.69 417
  159 5.51 55
  160 4.9 49
  319 99.99 999
  320 24.66 247
  321 3.06 31
  377 1.4 14
  392 3.01 30
//
