MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004924

4-METHYLPENTAN-2-ONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004924
RECORD_TITLE: 4-METHYLPENTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 4-METHYLPENTAN-2-ONE
CH$NAME: 4-METHYL-2-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: CC(C)CC(C)=O
CH$IUPAC: InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
CH$LINK: CAS 108-10-1
CH$LINK: INCHIKEY NTIZESTWPVYFNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021889

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-052f-9000000000-ef9512a77e6eca91c42f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  42 3.88 39
  43 99.99 999
  44 1.47 15
  55 1.33 13
  56 1.47 15
  57 17.67 177
  58 45.91 459
  59 3.34 33
  67 1.53 15
  85 14.65 147
  100 14.99 150
  101 1.13 11
//