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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008603

1,1-DIMETHOXY-3-BUTANONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008603
RECORD_TITLE: 1,1-DIMETHOXY-3-BUTANONE; 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

CH$NAME: 1,1-DIMETHOXY-3-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O3
CH$EXACT_MASS: 132.07864
CH$SMILES: COC(OC)CC(C)=O
CH$IUPAC: InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
CH$LINK: INCHIKEY PJCCSZUMZMCWSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8052196

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002f-9000000000-248141bca8e1165eafd7
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 1.84 18
  15 13.54 135
  26 1.29 13
  27 6.03 60
  28 1.01 10
  29 10.56 106
  31 10.98 110
  33 1.16 12
  39 1.45 15
  41 1.01 10
  42 5.91 59
  43 99.99 999
  44 2.15 22
  45 1.38 14
  47 11.47 115
  58 7.45 75
  59 5.78 58
  75 45.99 460
  76 1.14 11
  85 10.84 108
  101 9.29 93
  117 7.7 77
//

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