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Adenosine-5-monophosphate, 5TMS
SpectraBase Compound ID JYcZn9WI79g
InChI InChI=1S/C25H54N5O7PSi5.O/c1-39(2,3)29-23-20-24(27-17-26-23)30(18-28-20)25-22(35-41(7,8)9)21(34-40(4,5)6)19(33-25)16-32-38(31,36-42(10,11)12)37-43(13,14)15;/h17-19,21-22,25H,16H2,1-15H3,(H,26,27,29);/t19-,21-,22-,25-;/m1./s1
InChIKey IINPMBZKKBFCIE-MSNAFCMLSA-N
Mol Weight 724.1 g/mol
Molecular Formula C25H54N5O8PSi5
Exact Mass 723.255633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XpAHzt3L8K
Name Adenosine-5-monophosphate, 5TMS
Comments Derivatization type: 5 TMS (mass: 725.271); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000042; Note: The molecular formula of the structure shown is C10H16N5O8P - which differs from the formula reported for the mass spectrum (C25H56N5O8PSi5)
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Formula C25H56N5O8PSi5
InChI InChI=1S/C25H54N5O7PSi5.O/c1-39(2,3)29-23-20-24(27-17-26-23)30(18-28-20)25-22(35-41(7,8)9)21(34-40(4,5)6)19(33-25)16-32-38(31,36-42(10,11)12)37-43(13,14)15;/h17-19,21-22,25H,16H2,1-15H3,(H,26,27,29);/t19-,21-,22-,25-;/m1./s1
InChIKey IINPMBZKKBFCIE-MSNAFCMLSA-N
Molecular Weight 726.149 g/mol
SMILES O.N(c1c2c(ncn1)[n](cn2)[C@]1([C@@]([C@@]([C@@](COP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[Si](C)(C)C
SPLASH splash10-014i-0942000000-403889f0301e2084bd49
Source of Spectrum FM-2019-42-0
Synonyms Prestwick_546, 5TMS Adenosine 5'-monophosphate monohydrate, 5TMS 18422-05-4, 5TMS [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate hydrate, 5TMS bis(trimethylsilyl) (((2R,3R,4R,5R)-5-(6-((trimethylsilyl)amino)-9H-purin-9-yl)-3,4-bis((trimethylsilyl)oxy)tetrahydrofuran-2-yl)methyl) phosphate hydrate
Wiley ID 1817743