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Adenosine riboside, tetra-TMS
SpectraBase Compound ID CTty3N3bPLs
InChI InChI=1S/C22H45N5O4Si4/c1-32(2,3)26-20-17-21(24-14-23-20)27(15-25-17)22-19(31-35(10,11)12)18(30-34(7,8)9)16(29-22)13-28-33(4,5)6/h14-16,18-19,22H,13H2,1-12H3,(H,23,24,26)
InChIKey ADQCPBJKGAVWKS-UHFFFAOYSA-N
Mol Weight 556.0 g/mol
Molecular Formula C22H45N5O4Si4
Exact Mass 555.254861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fQa6Cq0Vey
Name Adenosine, 4TMS
Comments Derivatization type: 4 TMS (mass: 555.255); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000774; Note: The molecular formula of the structure shown is C10H13N5O4 - which differs from the formula reported for the mass spectrum (C22H45N5O4Si4)
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Formula C22H45N5O4Si4
InChI InChI=1S/C22H45N5O4Si4/c1-32(2,3)26-20-17-21(24-14-23-20)27(15-25-17)22-19(31-35(10,11)12)18(30-34(7,8)9)16(29-22)13-28-33(4,5)6/h14-16,18-19,22H,13H2,1-12H3,(H,23,24,26)
InChIKey ADQCPBJKGAVWKS-UHFFFAOYSA-N
Molecular Weight 555.973 g/mol
SMILES N(c1c2c(ncn1)[n](cn2)C1C(C(C(CO[Si](C)(C)C)O1)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-0f7t-0970000000-ab09cb3173d7dc34ef14
Source of Spectrum FM-2019-774-0
Synonyms Xylosyladenine, 4TMS .beta.-Adenosine, 4TMS Adenine xyloside, 4TMS Spongoadenosine, 4TMS Araadenosine, 4TMS 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, 4TMS 9-(3,4-bis((trimethylsilyl)oxy)-5-(((trimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)-N-(trimethylsilyl)-9H-purin-6-amine
Wiley ID 1818450