| SpectraBase Spectrum ID |
8KHx7mcYNXM |
| Name |
5'-Methylthioadenosine 2TMS |
| Classification |
Nucleoside derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
441.168614119 u |
| Formula |
C17H31N5O3SSi2 |
| InChI |
InChI=1S/C17H31N5O3SSi2/c1-26-8-11-13(24-27(2,3)4)14(25-28(5,6)7)17(23-11)22-10-21-12-15(18)19-9-20-16(12)22/h9-11,13-14,17H,8H2,1-7H3,(H2,18,19,20) |
| InChIKey |
BJFTXDTWJLXWJZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
441.697 g/mol |
| Nominal Mass |
441 u |
| Quality |
971 |
| Retention Index |
3438 |
| SMILES |
NC1=C2C(N(C3C(C(C(O3)CSC)O[Si](C)(C)C)O[Si](C)(C)C)C=N2)=NC=N1 |
| SPLASH |
splash10-0209-4910000000-b9136bb0215a9b9d4e9a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
9-(5-(methylthiomethyl)-3,4-bis((trimethylsilyl)oxy)oxolan-2-yl)-9H-purin-6-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026239 |
