MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008617

1-PHENYL-1,2-PROPANEDIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008617
RECORD_TITLE: 1-PHENYL-1,2-PROPANEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 1-PHENYL-1,2-PROPANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈O₂
CH$EXACT_MASS: 148.05243
CH$SMILES: CC(=O)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY BVQVLAIMHVDZEL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060372

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AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a6r-9500000000-0ad1ba839fdf36b66932
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 5.19 52
  27 1.96 20
  38 1.33 13
  39 1.84 18
  42 1.5 15
  43 18.42 184
  50 12.2 122
  51 33.51 335
  52 1.49 15
  74 3.8 38
  75 1.73 17
  76 2.58 26
  77 78.91 789
  78 5.44 54
  105 99.99 999
  106 7.94 79
  148 1.62 16
//