| SpectraBase Spectrum ID |
CtgZFQKis2g |
| Name |
5'-Methylthioadenosine 3TMS |
| Classification |
Nucleoside derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
513.208140912 u |
| Formula |
C20H39N5O3SSi3 |
| InChI |
InChI=1S/C20H39N5O3SSi3/c1-29-11-14-16(27-31(5,6)7)17(28-32(8,9)10)20(26-14)25-13-23-15-18(24-30(2,3)4)21-12-22-19(15)25/h12-14,16-17,20H,11H2,1-10H3,(H,21,22,24) |
| InChIKey |
BAKWXPKBSGCDPL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
513.879 g/mol |
| Nominal Mass |
513 u |
| Quality |
975 |
| Retention Index |
3910 |
| SMILES |
C1(N2C=3C(=C(N[Si](C)(C)C)N=CN3)N=C2)C(C(C(O1)CSC)O[Si](C)(C)C)O[Si](C)(C)C |
| SPLASH |
splash10-000i-4970000000-778f342077c8bc68b5ff |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
9-(5-(methylthiomethyl)-3,4-bis((trimethylsilyl)oxy)oxolan-2-yl)-N-(trimethylsilyl)-9H-purin-6-\ramine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026251 |
