MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009602

METHYL PHENYL KETONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009602
RECORD_TITLE: METHYL PHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL PHENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.05751
CH$SMILES: CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY KWOLFJPFCHCOCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021828

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AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0adi-9700000000-6f2471f8e98524af3f5b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 3.8 38
  29 1.2 12
  38 0.31 3
  39 8.1 81
  42 3.8 38
  43 27 270
  50 1.73 17
  51 39.3 393
  52 3.7 37
  62 2.7 27
  63 0.46 5
  65 3 30
  74 5.6 56
  75 3.3 33
  76 0.47 5
  77 77.9 779
  78 8.4 84
  89 1.2 12
  91 0.26 3
  105 99.99 999
  106 7.8 78
  120 54.1 541
  121 5.1 51
//