MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009143

ACETOIN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009143
RECORD_TITLE: ACETOIN; 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$NAME: ACETOIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₂
CH$EXACT_MASS: 88.05243
CH$SMILES: CC(O)C(C)=O
CH$IUPAC: InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
CH$LINK: INCHIKEY ROWKJAVDOGWPAT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0024399

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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$SPLASH: splash10-0005-9000000000-62904abc1fc33ec40dfa
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  14 3.37 34
  15 14.38 144
  19 6.6 66
  26 2.8 28
  27 13.43 134
  28 1.36 14
  29 11.99 120
  30 1.06 11
  31 1.3 13
  39 1 10
  41 1.38 14
  42 7.43 74
  43 71.49 715
  44 2.92 29
  45 99.99 999
  46 2.09 21
  73 1.46 15
  88 7.22 72
//