| SpectraBase Spectrum ID |
8JY3siMELTs |
| Name |
5-Amino-1-beta-D-ribofuranosyl-imidazole-4-carboxamide 3ME I |
| Classification |
Adenosine-regulating agent derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
300.143369755 u |
| Formula |
C12H20N4O5 |
| InChI |
InChI=1S/C12H20N4O5/c1-15(2)11-7(10(13)19)14-5-16(11)12-9(20-3)8(18)6(4-17)21-12/h5-6,8-9,12,17-18H,4H2,1-3H3,(H2,13,19)/t6-,8-,9-,12-/m1/s1 |
| InChIKey |
HQLLCVCKGKUJLJ-WOUKDFQISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
300.315 g/mol |
| Nominal Mass |
300 u |
| Quality |
985 |
| Retention Index |
2427 |
| SMILES |
OC[C@]1(O[C@]([C@@]([C@@]1(O)[H])(OC)[H])(N1C(=C(N=C1)C(=O)N)N(C)C)[H])[H] |
| SPLASH |
splash10-000e-9400000000-c5b48dde7ab6679748bd |
| Sample Comments |
Methyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
AICA-ribonucleoside 3ME I
5-(dimethylamino)-1-(4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl)-1H-imidazole-4-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019711 |
