ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010182
RECORD_TITLE: 5,5'-METHYLENEDI(2-PARA-TOLYLPERHYDROPYRROLO(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$NAME: 5,5'-METHYLENEDI(2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₂₈N₄O₄
CH$EXACT_MASS: 472.21106
CH$SMILES: C(N(C4)CC(C5=O)C4C(N(c(c6)ccc(C)c6)5)=O)N(C1)CC(C2=O)C1C(N(c(c3)ccc(C)c3)2)=O
CH$IUPAC: InChI=1S/C27H28N4O4/c1-16-3-7-18(8-4-16)30-24(32)20-11-28(12-21(20)25(30)33)15-29-13-22-23(14-29)27(35)31(26(22)34)19-9-5-17(2)6-10-19/h3-10,20-23H,11-15H2,1-2H3
CH$LINK: INCHIKEY JJHLVDNCHWSTEB-UHFFFAOYSA-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$SPLASH: splash10-0006-9120000000-3454abcb491b885f389f
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  39 7.83 78
  40 12.34 123
  41 25.49 255
  42 29.13 291
  43 41.52 415
  51 5.85 59
  53 10.56 106
  54 5.95 60
  55 36.74 367
  57 6.25 63
  65 7.18 72
  67 7.97 80
  68 88.03 880
  69 8.16 82
  78 6.23 62
  80 20.32 203
  81 42.8 428
  82 16.22 162
  91 11.94 119
  96 23.58 236
  97 6.27 63
  104 9.94 99
  107 6.33 63
  132 13.45 135
  133 15.56 156
  160 6.87 69
  187 16.13 161
  230 8.75 88
  242 10.35 104
  243 99.99 999
  244 18.04 180
//