ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000782
RECORD_TITLE: 3,7-DIMETHYL-5-PHENYLAZOTROPOLONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3,7-DIMETHYL-5-PHENYLAZOTROPOLONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H14N2O2
CH$EXACT_MASS: 254.10553
CH$SMILES: CC(C=1)=C(O)C(=O)C(C)=CC(N=Nc(c2)cccc2)1
CH$IUPAC: InChI=1S/C15H14N2O2/c1-10-8-13(9-11(2)15(19)14(10)18)17-16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19)/b17-16+
CH$LINK: INCHIKEY LUHNBQJRYZIKBC-WUKNDPDISA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-9300000000-814ae705cd9d57f8aa2b
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  51 6.5 65
  53 6.5 65
  55 3.5 35
  65 0.65 7
  77 99.99 999
  78 10 100
  91 14 140
  92 0.3 3
  93 10 100
  105 26 260
  106 3 30
  121 1.8 18
  131 6 60
  149 14.5 145
  150 3 30
  254 5.9 59
  255 10 100
//
