MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007141

PHENYLACETONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007141
RECORD_TITLE: PHENYLACETONE; 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$NAME: PHENYLACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O
CH$EXACT_MASS: 134.07316
CH$SMILES: CC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: CAS 103-79-7
CH$LINK: INCHIKEY QCCDLTOVEPVEJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1059280

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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$SPLASH: splash10-0006-9000000000-f1e53fad0477c0100995
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 3.06 31
  27 1.57 16
  38 1.64 16
  39 12.2 122
  41 1.82 18
  42 1.08 11
  43 99.99 999
  44 1.69 17
  50 2.54 25
  51 6.4 64
  52 1.54 15
  62 2.05 21
  63 7.11 71
  64 1.59 16
  65 16.73 167
  77 1.24 12
  89 4.62 46
  90 1.68 17
  91 55.11 551
  92 18.17 182
  134 17.65 177
  135 1.44 14
//