ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010290
RECORD_TITLE: (E)-3-BENZOYLMETHYLENE-1-METHYL-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$NAME: (E)-3-BENZOYLMETHYLENE-1-METHYL-2,5-PYRROLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₁NO₃
CH$EXACT_MASS: 229.07389
CH$SMILES: O=C(C1)N(C)C(=O)C1=C([H])C(=O)c(c2)cccc2
CH$IUPAC: InChI=1S/C13H11NO3/c1-14-12(16)8-10(13(14)17)7-11(15)9-5-3-2-4-6-9/h2-7H,8H2,1H3/b10-7+
CH$LINK: INCHIKEY OBCSOFNPRNSGHS-JXMROGBWSA-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$SPLASH: splash10-056r-8930000000-77de3491821efd52d49c
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 3.02 30
  28 2.74 27
  38 5.19 52
  39 21.7 217
  50 7.67 77
  51 25.29 253
  58 4.56 46
  66 4.48 45
  67 10.71 107
  74 2.9 29
  75 2.83 28
  76 3.92 39
  77 69.06 691
  78 6.4 64
  105 99.99 999
  106 7.88 79
  115 10.1 101
  116 12.85 129
  144 18.37 184
  151 3.57 36
  171 12.51 125
  172 8.02 80
  200 4.28 43
  201 3.1 31
  212 8.35 84
  228 5.32 53
  229 45.34 453
  230 6.9 69
//