ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010225
RECORD_TITLE: 4-ETHOXYCARBONYL-6-ETHYL-5-METHYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-CIS-6,6A-TRANS); 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$NAME: 4-ETHOXYCARBONYL-6-ETHYL-5-METHYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-CIS-6,6A-TRANS)
CH$NAME: (4S,6R)-4-ETHOXYCARBONYL-6-ETHYL-5-METHYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H24N2O4
CH$EXACT_MASS: 344.17361
CH$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])(CC)1
CH$IUPAC: InChI=1S/C19H24N2O4/c1-5-13-14-15(16(20(13)4)19(24)25-6-2)18(23)21(17(14)22)12-9-7-11(3)8-10-12/h7-10,13-16H,5-6H2,1-4H3/t13-,14+,15+,16+/m1/s1
CH$LINK: INCHIKEY HOLUPEUXIPLRIG-UGUYLWEFSA-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$SPLASH: splash10-00di-2291000000-93343a9b2993faba758d
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39 2.15 22
  41 3.02 30
  42 3.91 39
  43 4.51 45
  55 2.58 26
  57 2.44 24
  67 2.03 20
  77 2.45 25
  81 4.92 49
  82 8.73 87
  91 3.1 31
  94 2.73 27
  104 2.21 22
  108 2.32 23
  110 19.43 194
  132 2.59 26
  133 2.7 27
  135 3.11 31
  149 2.15 22
  154 2.03 20
  257 2.24 22
  265 7.15 72
  266 1.14 11
  269 1.11 11
  271 99.99 999
  272 17.54 175
  273 2.47 25
  283 1.86 19
  285 1.25 13
  315 19.88 199
  316 3.35 34
  344 2.18 22
//
