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2'-deoxyadenosine 5'-monophosphate, 4TMS
SpectraBase Compound ID IMeI3tIi06q
InChI InChI=1S/C22H46N5O6PSi4/c1-35(2,3)26-21-20-22(24-15-23-21)27(16-25-20)19-13-17(31-36(4,5)6)18(30-19)14-29-34(28,32-37(7,8)9)33-38(10,11)12/h15-19H,13-14H2,1-12H3,(H,23,24,26)
InChIKey LDQVYNZLWNEILO-UHFFFAOYSA-N
Mol Weight 620.0 g/mol
Molecular Formula C22H46N5O6PSi4
Exact Mass 619.226277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Se3VRqpkYA
Name 2'-deoxyadenosine 5'-monophosphate, 4TMS
Comments Derivatization type: 4 TMS (mass: 619.226); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000198; Note: The molecular formula of the structure shown is C10H14N5O6P - which differs from the formula reported for the mass spectrum (C22H46N5O6PSi4)
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Formula C22H46N5O6PSi4
InChI InChI=1S/C22H46N5O6PSi4/c1-35(2,3)26-21-20-22(24-15-23-21)27(16-25-20)19-13-17(31-36(4,5)6)18(30-19)14-29-34(28,32-37(7,8)9)33-38(10,11)12/h15-19H,13-14H2,1-12H3,(H,23,24,26)
InChIKey LDQVYNZLWNEILO-UHFFFAOYSA-N
Molecular Weight 619.953 g/mol
SMILES N(c1c2c(ncn1)[n](cn2)C1CC(C(COP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)O1)O[Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-05mo-0941000000-8a249f45a70f34e5dcd8
Source of Spectrum FM-2019-198-0
Synonyms dAMP, 4TMS Deoxyadenylic acid, 4TMS Deoxy-AMP, 4TMS 2'-Deoxy-AMP, 4TMS 2'-Deoxyadenylic acid, 4TMS deoxyadenosine-phosphate, 4TMS [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate, 4TMS bis(trimethylsilyl) ((5-(6-((trimethylsilyl)amino)-9H-purin-9-yl)-3-((trimethylsilyl)oxy)tetrahydrofuran-2-yl)methyl) phosphate
Wiley ID 1817889