ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010234
RECORD_TITLE: 4-METHOXYCARBONYL-5-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-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$NAME: 4-METHOXYCARBONYL-5-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-CIS)
CH$NAME: (4S)-4-METHOXYCARBONYL-5-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₀N₂O₄
CH$EXACT_MASS: 364.14231
CH$SMILES: Cc(c4)ccc(c4)N(C(=O)1)C(=O)C([H])(C([H])(C(=O)OC)2)C([H])(CN(c(c3)cccc3)2)1
CH$IUPAC: InChI=1S/C21H20N2O4/c1-13-8-10-15(11-9-13)23-19(24)16-12-22(14-6-4-3-5-7-14)18(21(26)27-2)17(16)20(23)25/h3-11,16-18H,12H2,1-2H3/t16-,17-,18-/m0/s1
CH$LINK: INCHIKEY KTXSTUFUZXOMIO-BZSNNMDCSA-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$SPLASH: splash10-0a4l-9307000000-8770198cd54d07e18f17
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39 4.82 48
  41 8.06 81
  43 25.74 257
  44 8.3 83
  45 6.1 61
  47 9.09 91
  48 4.37 44
  49 4.46 45
  51 3.79 38
  55 5.52 55
  57 4.48 45
  58 3.77 38
  59 8.65 87
  69 3.49 35
  77 9.85 99
  83 31.88 319
  84 6.65 67
  85 24.03 240
  86 5.74 57
  87 4.22 42
  91 4.8 48
  104 7.11 71
  106 8.42 84
  117 5.44 54
  143 4.15 42
  144 44.24 442
  145 5.7 57
  152 4.4 44
  305 99.99 999
  306 21.36 214
  364 24.95 250
  365 5.23 52
//