ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010190
RECORD_TITLE: 5-METHYL-4,4-TETRAMETHYLENE-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$NAME: 5-METHYL-4,4-TETRAMETHYLENE-2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₂N₂O₂
CH$EXACT_MASS: 298.16813
CH$SMILES: Cc(c4)ccc(c4)N(C(=O)3)C(=O)C(C23)C(C1)(NC2)C(C)CC1
CH$IUPAC: InChI=1S/C18H22N2O2/c1-11-5-7-13(8-6-11)20-16(21)14-10-19-18(15(14)17(20)22)9-3-4-12(18)2/h5-8,12,14-15,19H,3-4,9-10H2,1-2H3
CH$LINK: INCHIKEY SJLJUSUBOGDIFX-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$SPLASH: splash10-0a4i-8390000000-d6a975229e79e39c4eec
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  40 5.13 51
  42 8.76 88
  43 9.65 97
  44 5.72 57
  54 4.39 44
  56 8.52 85
  65 3.57 36
  67 5.64 56
  68 7.69 77
  77 5.28 53
  78 3.93 39
  79 4.54 45
  80 3.36 34
  81 7.81 78
  82 5.22 52
  91 8.16 82
  93 4.11 41
  94 28.83 288
  95 18.11 181
  96 3.36 34
  107 4.09 41
  108 30.87 309
  109 8.03 80
  110 7.49 75
  132 3.63 36
  133 5.18 52
  164 4.94 49
  255 3.68 37
  256 99.99 999
  257 18.21 182
  269 7 70
  270 19.48 195
  298 14.02 140
  299 3.32 33
//