MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000259

2-HEXANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000259
RECORD_TITLE: 2-HEXANONE; 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$NAME: 2-HEXANONE
CH$NAME: METHYL BUTYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCCCC(C)=O
CH$IUPAC: InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
CH$LINK: INCHIKEY QQZOPKMRPOGIEB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022068

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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$SPLASH: splash10-052f-9000000000-b9a2ab16adfdd94ece2a
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 7.4 74
  26 1.7 17
  27 12.3 123
  28 0.34 3
  29 19.2 192
  39 7.9 79
  40 1 10
  41 1.88 19
  43 99.99 999
  44 2.3 23
  53 1.1 11
  55 0.15 2
  57 18 180
  58 53.7 537
  59 3.1 31
  71 0.57 6
  85 6.8 68
  100 14.2 142
  101 1.2 12
//