ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010218
RECORD_TITLE: 1,3,3A,4-TETRAHYDRO-2-(PARA-TOLYL)-2H-ISOINDOLE-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$NAME: 1,3,3A,4-TETRAHYDRO-2-(PARA-TOLYL)-2H-ISOINDOLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₃NO₂
CH$EXACT_MASS: 239.09463
CH$SMILES: Cc(c3)ccc(c3)N(C(=O)1)C(=O)C(=C([H])2)C(CC([H])=C([H])2)1
CH$IUPAC: InChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-4,6-9,13H,5H2,1H3
CH$LINK: INCHIKEY HUFOTEUMQBTPCV-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$SPLASH: splash10-056r-9500000000-43b9be490ab91b9fa9a7
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  25 19.64 196
  29 3.44 34
  38 3.31 33
  39 16.5 165
  41 7.32 73
  43 7.59 76
  50 19.07 191
  51 35.14 351
  52 30.46 305
  53 7.33 73
  55 5.36 54
  57 4.71 47
  63 11.88 119
  65 11.39 114
  67 3.55 36
  74 2.99 30
  75 6.62 66
  76 16.48 165
  77 73.99 740
  78 99.99 999
  79 11.87 119
  80 3.68 37
  83 3.24 32
  89 3.28 33
  90 4.11 41
  91 15.15 152
  102 3.34 33
  104 19.25 193
  105 95.32 953
  106 77.4 774
  107 7.99 80
  108 1.97 20
  122 2.3 23
  130 2.12 21
  132 21.81 218
  133 15.78 158
  134 2.15 22
  144 2.33 23
  149 2.55 26
  193 7.06 71
  194 3.34 33
  237 4.76 48
  239 19.4 194
  240 2.1 21
//