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cystine, 3TMS
SpectraBase Compound ID H9EXA3wDWvc
InChI InChI=1S/C18H37N3O5Si3/c1-27(2,3)23-12-13-15(25-28(4,5)6)16(26-29(7,8)9)17(24-13)21-11-10-14(19)20-18(21)22/h10-11,13,15-17H,12H2,1-9H3,(H2,19,20,22)
InChIKey NATBOBHUVCMNTD-UHFFFAOYSA-N
Mol Weight 459.8 g/mol
Molecular Formula C18H37N3O5Si3
Exact Mass 459.204101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jww48dMECyr
Name cystine, 3TMS
Comments Derivatization type: 3 TMS (mass: 459.204); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000131; Note: The molecular formula of the structure shown is C9H13N3O5 - which differs from the formula reported for the mass spectrum (C18H37N3O5Si3)
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Formula C18H37N3O5Si3
InChI InChI=1S/C18H37N3O5Si3/c1-27(2,3)23-12-13-15(25-28(4,5)6)16(26-29(7,8)9)17(24-13)21-11-10-14(19)20-18(21)22/h10-11,13,15-17H,12H2,1-9H3,(H2,19,20,22)
InChIKey NATBOBHUVCMNTD-UHFFFAOYSA-N
Molecular Weight 459.765 g/mol
SMILES NC=1C=CN(C2C(C(C(CO[Si](C)(C)C)O2)O[Si](C)(C)C)O[Si](C)(C)C)C(N1)=O
SPLASH splash10-0fr2-1930000000-95438474260d8bfabd89
Source of Spectrum FM-2019-131-0
Synonyms cytidine, 3TMS cytarabine, 3TMS Arabinocytidine, 3TMS Cytarabinoside, 3TMS Spongocytidine, 3TMS Aracytidine, 3TMS 4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 3TMS 4-Amino-1-(3,4-bis((trimethylsilyl)oxy)-5-(((trimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Wiley ID 1817824