ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010179
RECORD_TITLE: 4,4-HEXAMETHYLENE-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$NAME: 4,4-HEXAMETHYLENE-2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22N2O2
CH$EXACT_MASS: 298.16813
CH$SMILES: Cc(c4)ccc(c4)N(C(=O)3)C(=O)C(C13)C(C2)(CCCC2)NC1
CH$IUPAC: InChI=1S/C18H22N2O2/c1-12-5-7-13(8-6-12)20-16(21)14-11-19-18(15(14)17(20)22)9-3-2-4-10-18/h5-8,14-15,19H,2-4,9-11H2,1H3
CH$LINK: INCHIKEY UZYOMVNADBCKTA-UHFFFAOYSA-N
AC$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: splash10-0a4i-5090000000-b939b832a4f038f71094
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  39 4.73 47
  41 10.82 108
  43 8.68 87
  55 5.77 58
  56 4.47 45
  67 5.73 57
  68 4.62 46
  77 4.29 43
  80 20.2 202
  81 8.89 89
  82 6.87 69
  83 5.05 51
  91 5.07 51
  94 24.77 248
  110 4.85 49
  111 4.68 47
  242 19.78 198
  255 99.99 999
  256 21.29 213
  269 5.86 59
  298 38.25 383
  299 7.04 70
//
