MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006455

3-HEXANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006455
RECORD_TITLE: 3-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$NAME: 3-HEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCCC(=O)CC
CH$IUPAC: InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY PFCHFHIRKBAQGU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021608

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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$SPLASH: splash10-054o-9000000000-7166c2e59f557283534f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 2.66 27
  26 5.18 52
  27 43.32 433
  28 5.46 55
  29 55.12 551
  38 1.44 14
  39 14.2 142
  40 1.11 11
  41 26.53 265
  42 8.1 81
  43 99.99 999
  44 2.82 28
  53 1.18 12
  55 2.98 30
  56 1.85 19
  57 87.93 879
  58 2.44 24
  71 56.08 561
  72 5.49 55
  85 2.15 22
  100 28.04 280
  101 1.77 18
//