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galacturonic acid, 5TMS
SpectraBase Compound ID JwFGEPdaSp4
InChI InChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h16-20H,1-15H3
InChIKey HDGFBGPNRURMOV-UHFFFAOYSA-N
Mol Weight 555.0 g/mol
Molecular Formula C21H50O7Si5
Exact Mass 554.240287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnXxeUkoJIS
Name galacturonic acid, 5TMS
Comments Derivatization type: 5 TMS (mass: 554.24); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000512; Note: The molecular formula of the structure shown is C6H10O7 - which differs from the formula reported for the mass spectrum (C21H50O7Si5)
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Formula C21H50O7Si5
InChI InChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h16-20H,1-15H3
InChIKey HDGFBGPNRURMOV-UHFFFAOYSA-N
Molecular Weight 555.049 g/mol
SMILES C(C(C(C(C(C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)=O
SPLASH splash10-01pk-1911000000-5066c1d8d1e7b0529253
Source of Spectrum FM-2019-512-0
Synonyms D-galacturonic acid, 5TMS Galacturonic acid, D-, 5TMS D-Galactopyranuronic acid, 5TMS Galactopyranuronic acid, D-, 5TMS NSC93619, 5TMS NSC212540, 5TMS 2,3,4,5-tetrahydroxy-6-oxohexanoic acid, 5TMS Trimethylsilyl 6-oxo-2,3,4,5-tetrakis((trimethylsilyl)oxy)hexanoate
Wiley ID 1818196