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dehydroascorbic acid, 2TMS
SpectraBase Compound ID 5kqIZ78poKb
InChI InChI=1S/C12H22O6Si2/c1-19(2,3)16-7-8(18-20(4,5)6)11-9(13)10(14)12(15)17-11/h8,11H,7H2,1-6H3/t8-,11+/m0/s1
InChIKey KFCCSZGBXLKHOL-GZMMTYOYSA-N
Mol Weight 318.47 g/mol
Molecular Formula C12H22O6Si2
Exact Mass 318.095491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMwg4YxeRro
Name dehydroascorbic acid, 2TMS
Comments Derivatization type: 2 TMS (mass: 318.095); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000495; Note: The molecular formula of the structure shown is C6H6O6 - which differs from the formula reported for the mass spectrum (C12H22O6Si2)
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Formula C12H22O6Si2
InChI InChI=1S/C12H22O6Si2/c1-19(2,3)16-7-8(18-20(4,5)6)11-9(13)10(14)12(15)17-11/h8,11H,7H2,1-6H3/t8-,11+/m0/s1
InChIKey KFCCSZGBXLKHOL-GZMMTYOYSA-N
Molecular Weight 318.472 g/mol
SMILES C([C@@]([C@@]1(C(C(C(=O)O1)=O)=O)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C
SPLASH splash10-05fs-1910000000-095ee93a3429ec63b444
Source of Spectrum FM-2019-495-0
Synonyms L-Dehydroascorbate, 2TMS Oxidized vitamin C, 2TMS L-Dehydroascorbic acid, 2TMS Bis-DHA, 2TMS DHAA, 2TMS DEHYDROASCORBIC ACID, 2TMS (5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione, 2TMS (R)-5-((S)-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctan-4-yl)furan-2,3,4(5H)-trione
Wiley ID 1818179