ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010172
RECORD_TITLE: 5-METHYL-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$NAME: 5-METHYL-2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆N₂O₂
CH$EXACT_MASS: 244.12118
CH$SMILES: Cc(c3)ccc(c3)N(C(=O)1)C(=O)C(C2)C(CN(C)2)1
CH$IUPAC: InChI=1S/C14H16N2O2/c1-9-3-5-10(6-4-9)16-13(17)11-7-15(2)8-12(11)14(16)18/h3-6,11-12H,7-8H2,1-2H3
CH$LINK: INCHIKEY CDGMLTCYXXHIDE-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$SPLASH: splash10-0a5c-9010000000-a12a3cb2c447c7f72043
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  38 9 90
  39 5.07 51
  40 6.76 68
  41 24.43 244
  42 5.11 51
  43 4.34 43
  55 7.05 71
  57 99.99 999
  58 3.95 40
  67 6.17 62
  68 17.42 174
  77 6.65 67
  78 4.8 48
  81 4.25 43
  82 55.14 551
  83 6.88 69
  84 3.51 35
  91 5.03 50
  104 4.48 45
  121 7.08 71
  243 13.49 135
  244 39.87 399
  245 4.68 47
//