MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008600

4-HYDROXY-3-HEXANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008600
RECORD_TITLE: 4-HYDROXY-3-HEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 4-HYDROXY-3-HEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(O)C(=O)CC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
CH$LINK: INCHIKEY SKCYVGUCBRYGTE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40863474

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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$SPLASH: splash10-0a4i-9000000000-1305f4ba1ce44486bae5
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 1.62 16
  26 3.99 40
  27 21.99 220
  28 1.67 17
  29 37.46 375
  30 2.8 28
  31 55.56 556
  39 6.5 65
  41 23.89 239
  42 2.7 27
  43 4.58 46
  45 1.09 11
  55 1.76 18
  56 1.2 12
  57 40.79 408
  58 21.48 215
  59 99.99 999
  60 3.46 35
  87 1.01 10
  116 1.56 16
//