ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010170
RECORD_TITLE: 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$NAME: 2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14N2O2
CH$EXACT_MASS: 230.10553
CH$SMILES: Cc(c3)ccc(c3)N(C(=O)1)C(=O)C(C2)C(CN2)1
CH$IUPAC: InChI=1S/C13H14N2O2/c1-8-2-4-9(5-3-8)15-12(16)10-6-14-7-11(10)13(15)17/h2-5,10-11,14H,6-7H2,1H3
CH$LINK: INCHIKEY FXVANCKDLNHCJC-UHFFFAOYSA-N
AC$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: splash10-000i-9100000000-4d386c92698f4bf44bd4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  30 13.63 136
  35 3.02 30
  41 2.81 28
  42 9.83 98
  43 4.14 41
  44 7.98 80
  47 9.97 100
  48 4.52 45
  49 3.19 32
  56 6.34 63
  57 2.08 21
  58 20.47 205
  68 2.96 30
  70 2.38 24
  72 2.8 28
  83 36.82 368
  85 24.95 250
  86 99.99 999
  87 6.51 65
  91 2.64 26
  100 6.63 66
  101 17.96 180
  102 1.41 14
  106 2.44 24
  107 2.5 25
  118 1.45 15
  120 1.3 13
  230 4.6 46
//
