ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010291
RECORD_TITLE: (E)-3-BENZOYLMETHYLENE-1-PHENYL-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$NAME: (E)-3-BENZOYLMETHYLENE-1-PHENYL-2,5-PYRROLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₃NO₃
CH$EXACT_MASS: 291.08954
CH$SMILES: c(c3)ccc(c3)C(=O)C([H])=C(C1)C(=O)N(c(c2)cccc2)C(=O)1
CH$IUPAC: InChI=1S/C18H13NO3/c20-16(13-7-3-1-4-8-13)11-14-12-17(21)19(18(14)22)15-9-5-2-6-10-15/h1-11H,12H2/b14-11+
CH$LINK: INCHIKEY MXDOBCYVGIUBPN-SDNWHVSQSA-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$SPLASH: splash10-0kdi-9300000000-37e639f002aa610132ae
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  38 6.3 63
  39 38.09 381
  50 11.32 113
  51 40.63 406
  52 3.98 40
  63 7.84 78
  64 10.44 104
  65 7.52 75
  66 3.97 40
  67 20.17 202
  75 3.68 37
  76 5.37 54
  77 99.99 999
  78 8.31 83
  91 15.2 152
  105 73.82 738
  106 5.35 54
  115 9.15 92
  116 3.43 34
  119 9.82 98
  171 4.03 40
  199 3.5 35
  263 1.21 12
  291 5.34 53
  292 1.25 13
//