MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004119

PROPIOPHENONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004119
RECORD_TITLE: PROPIOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: PROPIOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O
CH$EXACT_MASS: 134.07316
CH$SMILES: CCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: INCHIKEY KRIOVPPHQSLHCZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2044470

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AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-0a4i-4900000000-416230789be4145ce902
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 2.5 25
  29 1.8 18
  39 1 10
  43 1.5 15
  50 4.2 42
  51 10.5 105
  74 1.4 14
  75 0.1 1
  76 1.4 14
  77 30 300
  78 2.6 26
  105 99.99 999
  106 9.8 98
  107 0.7 7
  133 0.6 6
  134 1.4 14
  135 5.4 54
//