MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008876
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
//