ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010227
RECORD_TITLE: 4-ETHOXYCARBONYL-5-METHYL-6-(1-PROPENYL)-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$NAME: 4-ETHOXYCARBONYL-5-METHYL-6-(1-PROPENYL)-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-TRANS-6,6A-CIS)
CH$NAME: (4R,6S)-4-ETHOXYCARBONYL-5-METHYL-6-(1-PROPENYL)-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H24N2O4
CH$EXACT_MASS: 356.17361
CH$SMILES: CCOC(=O)C([H])(N(C)1)C([H])(C(=O)2)C([H])(C(=O)N(c(c3)ccc(C)c3)2)C([H])(C=CC)1
CH$IUPAC: InChI=1S/C20H24N2O4/c1-5-7-14-15-16(17(21(14)4)20(25)26-6-2)19(24)22(18(15)23)13-10-8-12(3)9-11-13/h5,7-11,14-17H,6H2,1-4H3/b7-5+/t14-,15-,16-,17+/m0/s1
CH$LINK: INCHIKEY HCPRLJQOXMIOCW-NUJXTKSFSA-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$SPLASH: splash10-001i-7691000000-17df72ea3f25469555e2
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  38 4.38 44
  40 4.08 41
  41 15.44 154
  51 3.35 34
  53 3.59 36
  66 2.63 26
  67 2.27 23
  76 7.53 75
  77 6.82 68
  78 5.14 51
  79 4.68 47
  80 10.09 101
  81 5.38 54
  91 6.31 63
  94 13.4 134
  96 13.12 131
  104 4.87 49
  105 7.6 76
  106 7.28 73
  107 8.79 88
  120 4.32 43
  121 2.62 26
  122 47.12 471
  123 4.6 46
  132 6 60
  133 7.25 73
  257 9.22 92
  283 99.99 999
  284 20.3 203
  285 2.6 26
  309 3.03 30
  327 3.95 40
  341 3.89 39
  356 10.57 106
  357 2.29 23
//
