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fructose-1,6-bisphosphate, 7TMS, 1MEOX
SpectraBase Compound ID Eve7677wfnr
InChI InChI=1S/C28H73NO12P2Si7/c1-32-29-25(23-33-42(30,38-47(11,12)13)39-48(14,15)16)27(36-45(5,6)7)28(37-46(8,9)10)26(35-44(2,3)4)24-34-43(31,40-49(17,18)19)41-50(20,21)22/h26-28H,23-24H2,1-22H3/b29-25+/t26-,27-,28-/m1/s1
InChIKey QLEJBMIVBNXBHG-CUUCPZIPSA-N
Mol Weight 874.4 g/mol
Molecular Formula C28H73NO12P2Si7
Exact Mass 873.299287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1UIYMxjVXs
Name fructose-1,6-bisphosphate, 7TMS, 1MEOX
Alternate Name(s) D-Fructose 1,6-bisphosphate, 7TMS, 1MEOX 1,6-Di-O-phosphono-D-fructose, 7TMS, 1MEOX CHEBI:16905, 7TMS, 1MEOX D-fructose 1,6-bis(dihydrogen phosphate), 7TMS, 1MEOX 2FP, 7TMS, 1MEOX [(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate, 7TMS, 1MEOX (3R,4S,5R,E)-2-(methoxyimino)-3,4,5-tris((trimethylsilyl)oxy)hexane-1,6-diyl tetrakis(trimethylsilyl) bis(phosphate)
Comments Derivatization type: 7 TMS (mass: 873.299); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001071; Note: The molecular formula of the structure shown is C6H14O12P2 - which differs from the formula reported for the mass spectrum (C28H73NO12P2Si7)
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Formula C28H73NO12P2Si7
InChI InChI=1S/C28H73NO12P2Si7/c1-32-29-25(23-33-42(30,38-47(11,12)13)39-48(14,15)16)27(36-45(5,6)7)28(37-46(8,9)10)26(35-44(2,3)4)24-34-43(31,40-49(17,18)19)41-50(20,21)22/h26-28H,23-24H2,1-22H3/b29-25+/t26-,27-,28-/m1/s1
InChIKey QLEJBMIVBNXBHG-CUUCPZIPSA-N
Molecular Weight 874.430 g/mol
SMILES C([C@]([C@]([C@@](\C(COP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)=N\OC)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])OP(O[Si](C)(C)C)(O[Si](C)(C)C)=O
SPLASH splash10-00kk-1954000000-c578c6dc8f011032d008
Source of Spectrum FM-2019-1071-0
Wiley ID 1818729