MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001802

ISOBUTYL METHYL KETONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001802
RECORD_TITLE: ISOBUTYL METHYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: ISOBUTYL METHYL KETONE
CH$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: INCHIKEY NTIZESTWPVYFNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021889

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-a74860e5429fbdddd4ec
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 3.19 32
  18 1.06 11
  27 4.99 50
  28 2.45 25
  29 9.81 98
  39 5.56 56
  41 17.42 174
  42 3.35 34
  43 99.99 999
  44 2.45 25
  57 20.28 203
  58 37.94 379
  59 2.37 24
  67 1.55 16
  85 14.39 144
  100 11.69 117
  101 1.72 17
//