MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009758

2-OCTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009758
RECORD_TITLE: 2-OCTANONE; 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$NAME: 2-OCTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O
CH$EXACT_MASS: 128.12012
CH$SMILES: CCCCCCC(C)=O
CH$IUPAC: InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
CH$LINK: INCHIKEY ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021927

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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 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-1a27068f4efa2d8111ac
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  29 1.2 12
  41 2.7 27
  42 1 10
  43 4.49 45
  44 1.2 12
  45 1.3 13
  55 2 20
  57 0.36 4
  58 99.99 999
  59 21.6 216
  60 1 10
  68 0.2 2
  69 1 10
  70 3.2 32
  71 17.7 177
  72 0.23 2
  85 6.8 68
  86 3.3 33
  99 1 10
  113 0.45 5
  128 12.5 125
  129 1.5 15
//