ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010293
RECORD_TITLE: (E)-3-(2-OXOPROPYLENE)-1-PARA-TOLYL-2,5-PYRROLIDINEDIONE; 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$NAME: (E)-3-(2-OXOPROPYLENE)-1-PARA-TOLYL-2,5-PYRROLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₃NO₃
CH$EXACT_MASS: 243.08954
CH$SMILES: CC(=O)C([H])=C(C2)C(=O)N(C(=O)2)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C14H13NO3/c1-9-3-5-12(6-4-9)15-13(17)8-11(14(15)18)7-10(2)16/h3-7H,8H2,1-2H3/b11-7+
CH$LINK: INCHIKEY RCXQOHURHKFFFZ-YRNVUSSQSA-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$SPLASH: splash10-0006-9470000000-e902ca63ecc6d5c825db
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  39 18.95 190
  43 73.92 739
  51 5.33 53
  65 4.76 48
  67 14.98 150
  75 8.44 84
  76 5.4 54
  79 6.28 63
  86 9.28 93
  96 5.67 57
  98 8.05 81
  99 37.69 377
  101 16.19 162
  126 4.77 48
  133 9.94 99
  135 11.14 111
  143 22.6 226
  156 5.75 58
  172 13.98 140
  173 19.72 197
  200 7.55 76
  201 28.89 289
  202 6.38 64
  215 6.97 70
  243 99.99 999
  244 16.51 165
//