ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010228
RECORD_TITLE: 4-ETHOXYCARBONYL-5-METHYL-6-(1-PROPENYL)-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE; 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$NAME: 4-ETHOXYCARBONYL-5-METHYL-6-(1-PROPENYL)-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$NAME: (4S,6R)-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(C(=O)2)C(C(=O)N(c(c3)ccc(C)c3)2)C([H])(C=CC)1
CH$IUPAC: InChI=1S/C20H24N2O4/c1-5-7-14-15-16(17(21(14)4)20(25)26-6-2)19(24)22(18(15)23)13-10-8-12(3)9-11-13/h5,7-11,14-17H,6H2,1-4H3/b7-5+/t14-,15?,16?,17+/m1/s1
CH$LINK: INCHIKEY HCPRLJQOXMIOCW-LTNSZIOFSA-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$SPLASH: splash10-001i-8590000000-ef5b01cc41afea4993c7
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  39 5.27 53
  41 7.97 80
  42 11.99 120
  43 4.63 46
  51 5.26 53
  52 3.37 34
  55 6.18 62
  57 7.37 74
  70 3.39 34
  71 3.5 35
  77 11.17 112
  78 14.29 143
  79 6.01 60
  80 3.82 38
  81 7.86 79
  82 4.55 46
  91 5.93 59
  94 7.25 73
  96 6.18 62
  104 3.78 38
  105 13.16 132
  106 11.69 117
  107 6.54 65
  122 25.67 257
  123 2.3 23
  129 2.71 27
  130 1.1 11
  132 3.92 39
  133 4.57 46
  141 1.9 19
  144 1.4 14
  147 1.57 16
  150 1.72 17
  167 1.03 10
  169 1.31 13
  193 1.86 19
  194 1.15 12
  237 3.68 37
  239 8.31 83
  240 1.38 14
  241 1.4 14
  257 1.74 17
  259 1.8 18
  283 99.99 999
  284 20.31 203
  285 2.49 25
  305 1.04 10
  356 5.67 57
  357 1.04 10
//
