MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008599

3-HYDROXY-3-METHYL-2-PENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008599
RECORD_TITLE: 3-HYDROXY-3-METHYL-2-PENTANONE; 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$NAME: 3-HYDROXY-3-METHYL-2-PENTANONE
CH$NAME: DIACETONE ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CC(=O)CC(C)(C)O
CH$IUPAC: InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
CH$LINK: INCHIKEY SWXVUIWOUIDPGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024917

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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$SPLASH: splash10-052f-9000000000-8448b11a23b1992dae6d
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 8.39 84
  26 1.34 13
  27 5.85 59
  29 3.42 34
  31 8.35 84
  39 5.26 53
  41 6.43 64
  42 4.84 48
  43 99.99 999
  44 1.86 19
  55 1.36 14
  56 3.57 36
  57 1.15 12
  58 14.94 149
  59 40.2 402
  60 1.16 12
  83 1.09 11
  98 2.24 22
  101 11.95 120
//