MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000260

4-METHYL-2-PENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000260
RECORD_TITLE: 4-METHYL-2-PENTANONE; 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$NAME: 4-METHYL-2-PENTANONE
CH$NAME: METHYL ISOBUTYL KETONE
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: INCHIKEY NTIZESTWPVYFNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021889

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AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-5c7c989978f9e9e3684e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 7.9 79
  26 1.1 11
  27 10.3 103
  28 0.14 1
  29 13.9 139
  38 1.3 13
  39 11.7 117
  40 0.17 2
  41 24.7 247
  42 3.5 35
  43 99.99 999
  44 0.24 2
  55 1.3 13
  56 1.3 13
  57 24.9 249
  58 3.99 40
  59 2.5 25
  67 1.7 17
  85 14.6 146
  100 1.54 15
  101 1.4 14
//