ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010195
RECORD_TITLE: 5-METHYL-4,4-PENTAMETHYLENE-2-PARA-TOLYLPEPHYDROPYRROLO(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$NAME: 5-METHYL-4,4-PENTAMETHYLENE-2-PARA-TOLYLPEPHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄N₂O₂
CH$EXACT_MASS: 312.18378
CH$SMILES: Cc(c4)ccc(c4)N(C(=O)3)C(=O)C(C13)C(C2)(CCCC2)N(C)C1
CH$IUPAC: InChI=1S/C19H24N2O2/c1-13-6-8-14(9-7-13)21-17(22)15-12-20(2)19(16(15)18(21)23)10-4-3-5-11-19/h6-9,15-16H,3-5,10-12H2,1-2H3
CH$LINK: INCHIKEY WBWHLFPGZUBCLQ-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$SPLASH: splash10-014i-3192000000-20bb7859c28d4fe7200e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  42 5.47 55
  43 5.2 52
  44 11.12 111
  45 3.31 33
  56 4.06 41
  58 5.75 58
  82 3.26 33
  91 4.12 41
  94 11.71 117
  95 6.12 61
  96 3.94 39
  108 11.62 116
  128 6.1 61
  135 3.94 39
  210 3.32 33
  256 28.26 283
  257 6.67 67
  269 99.99 999
  270 21.96 220
  312 33.63 336
  313 7.56 76
//