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fructose-6-phosphate, 6TMS, 1MEOX
SpectraBase Compound ID GmDgH0CZp2H
InChI InChI=1S/C25H64NO9PSi6/c1-28-26-22(20-30-37(2,3)4)24(32-39(8,9)10)25(33-40(11,12)13)23(31-38(5,6)7)21-29-36(27,34-41(14,15)16)35-42(17,18)19/h23-25H,20-21H2,1-19H3/b26-22+/t23-,24-,25-/m1/s1
InChIKey PYLXLHQAZZMFRY-UYKXPLQNSA-N
Mol Weight 722.3 g/mol
Molecular Formula C25H64NO9PSi6
Exact Mass 721.293429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dntt9vpuXXI
Name fructose-6-phosphate, 6TMS, 1MEOX
Comments Derivatization type: 6 TMS (mass: 721.293); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001067; Note: The molecular formula of the structure shown is C6H13O9P - which differs from the formula reported for the mass spectrum (C25H64NO9PSi6)
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Formula C25H64NO9PSi6
InChI InChI=1S/C25H64NO9PSi6/c1-28-26-22(20-30-37(2,3)4)24(32-39(8,9)10)25(33-40(11,12)13)23(31-38(5,6)7)21-29-36(27,34-41(14,15)16)35-42(17,18)19/h23-25H,20-21H2,1-19H3/b26-22+/t23-,24-,25-/m1/s1
InChIKey PYLXLHQAZZMFRY-UYKXPLQNSA-N
Molecular Weight 722.269 g/mol
SMILES C(\C([C@]([C@@]([C@@](COP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])=N/OC)O[Si](C)(C)C
SPLASH splash10-0gba-1933000000-1c8febd80da1382bec31
Source of Spectrum FM-2019-1067-0
Synonyms Neuberg ester, 6TMS, 1MEOX fructose-6P, 6TMS, 1MEOX fructose-6-P, 6TMS, 1MEOX D-fructose-6-P, 6TMS, 1MEOX D-Fructose 6-phosphate, 6TMS, 1MEOX [(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate, 6TMS, 1MEOX (2R,3S,4R,E)-5-(methoxyimino)-2,3,4,6-tetrakis((trimethylsilyl)oxy)hexyl bis(trimethylsilyl) phosphate
Wiley ID 1818725