| SpectraBase Spectrum ID |
2SoPVfzV68 |
| Name |
isoxanthopterin, 3TMS |
| Comments |
Non-derivatized structure shown; Derivatization type: 3 TMS (mass: 395.163); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000890; Note: The molecular formula of the structure shown is C6H5N5O2 - which differs from the formula reported for the mass spectrum (C15H29N5O2Si3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H29N5O2Si3 |
| InChI |
InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13) |
| InChIKey |
GLKCOBIIZKYKFN-UHFFFAOYSA-N |
| Molecular Weight |
179.139 g/mol |
| SMILES |
N=C1N=C(c2ncc(nc2N1)O)O |
| SPLASH |
splash10-000t-2924000000-b582ed715295873d64bb |
| Source of Spectrum |
FM-2019-890-0 |
| Synonyms |
Isoxanthopterin, 3TMS
Ranachrome 4, 3TMS
Spectrum_000248, 3TMS
SpecPlus_000308, 3TMS
2-Amino-4,7-dihydroxypteridine, 3TMS
2-Aminopteridine-4,7-diol, 3TMS
2-Amino-1,8-dihydropteridine-4,7-dione, 3TMS
2-imino-1,2-dihydropteridine-4,7-diol |
| Wiley ID |
1818556 |
