ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009989
RECORD_TITLE: 4-METHYL-1-PENTEN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-1-PENTEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: C=CC(=O)C(C)C
CH$IUPAC: InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3
CH$LINK: INCHIKEY SNOYUTZWILESAI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10166944

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-818d4c2d02460b513de2
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  27 20.3 203
  28 3.4 34
  29 2.3 23
  39 0.47 5
  41 11.2 112
  42 2.6 26
  43 18.8 188
  55 99.99 999
  56 8.8 88
  69 2.5 25
  70 11 110
  98 9.1 91
//