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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008876

ACETONE (1,1,1,3,3,3-D6); EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008876
RECORD_TITLE: ACETONE (1,1,1,3,3,3-D6); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ACETONE (1,1,1,3,3,3-D6)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O
CH$EXACT_MASS: 58.04186
CH$SMILES: [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
CH$LINK: INCHIKEY CSCPPACGZOOCGX-WFGJKAKNSA-N
CH$LINK: COMPTOX DTXSID20216767

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0002-9000000000-ac4e03d64a5d08cb0e2d
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  16 3.6 36
  18 20.15 202
  26 1.1 11
  28 5.45 55
  30 7.95 80
  32 1.45 15
  34 1.85 19
  38 2.4 24
  40 3 30
  42 6.2 62
  44 6.5 65
  45 2.7 27
  46 99.99 999
  47 2.15 22
  64 20.95 210
//

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