MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006448

2-HEXANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006448
RECORD_TITLE: 2-HEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 2-HEXANONE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-a8db7120c386c93d25ff
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 4.01 40
  26 1.65 17
  27 12.46 125
  29 14.95 150
  39 7.33 73
  41 16.51 165
  42 4.65 47
  43 99.99 999
  44 2.3 23
  55 1.85 19
  57 16.15 162
  58 50.03 500
  59 2.43 24
  71 5.04 50
  72 1.03 10
  85 5.32 53
  100 12.07 121
//