MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008774

2-HEXANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008774
RECORD_TITLE: 2-HEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
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$LINK: CAS 591-78-6
CH$LINK: INCHIKEY QQZOPKMRPOGIEB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022068

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AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0006-9000000000-858b1e62ef5dfd041baf
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  38 0.78 8
  39 9 90
  40 0.82 8
  41 17.07 171
  43 99.99 999
  44 2.53 25
  45 0.51 5
  50 0.29 3
  53 0.35 4
  55 1.46 15
  57 13.67 137
  58 41.16 412
  59 2.24 22
  71 4.32 43
  72 0.57 6
  85 5.1 51
  100 5.72 57
//