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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006787

DIBENZOYLMETHANE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006787
RECORD_TITLE: DIBENZOYLMETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DIBENZOYLMETHANE
CH$NAME: 1,3-DIPHENYL-1,3-PROPANDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12O2
CH$EXACT_MASS: 224.08373
CH$SMILES: O=C(CC(=O)c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
CH$LINK: INCHIKEY NZZIMKJIVMHWJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3041247

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05i0-9870000000-2b6cb690ca482b354165
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 1.42 14
  39 4.31 43
  43 2.95 30
  50 5.54 55
  51 21.54 215
  52 2.4 24
  63 2.46 25
  65 5.42 54
  69 51.75 518
  70 1.85 19
  76 4.62 46
  77 68.31 683
  78 8.98 90
  89 4 40
  91 4.31 43
  103 2.77 28
  105 99.99 999
  106 8 80
  121 2.77 28
  122 4.92 49
  147 45.05 451
  148 4.55 46
  162 2.34 23
  195 1.11 11
  196 1.23 12
  207 2.58 26
  208 1.85 19
  223 72.92 729
  224 70.65 707
  225 11.08 111
//

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