ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010224
RECORD_TITLE: 4-ETHOXYCARBONYL-6-ETHYL-5-METHYL-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$NAME: 4-ETHOXYCARBONYL-6-ETHYL-5-METHYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-TRANS-6,6A-CIS)
CH$NAME: (4R,6S)-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$IUPAC: InChI=1S/C19H24N2O4/c1-5-13-14-15(16(20(13)4)19(24)25-6-2)18(23)21(17(14)22)12-9-7-11(3)8-10-12/h7-10,13-16H,5-6H2,1-4H3/t13-,14-,15-,16+/m0/s1
CH$LINK: INCHIKEY HOLUPEUXIPLRIG-YHUYYLMFSA-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$SPLASH: splash10-00di-4191000000-ae60d62db55e2595a8ea
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  39 2.04 20
  41 3.69 37
  42 3.78 38
  43 12.2 122
  44 3.45 35
  51 2.15 22
  55 3.06 31
  57 4.28 43
  58 5.53 55
  67 2.21 22
  69 2.26 23
  70 2.32 23
  71 2.36 24
  76 3.18 32
  80 4.15 42
  81 5.23 52
  82 2.4 24
  84 1.78 18
  91 2.22 22
  94 2.26 23
  105 1.93 19
  107 2.09 21
  110 11.58 116
  133 1.71 17
  136 4.22 42
  141 1.99 20
  186 2.85 29
  243 2.04 20
  262 4.5 45
  270 1.08 11
  271 99.99 999
  272 20.13 201
  273 2.13 21
  278 2.2 22
  315 8.76 88
  316 1.52 15
  344 5.14 51
//
