XANTHINE
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P105206_EF88
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P105206_EF88 contains the MS2 mass spectrum of XANTHINE with the InChIkey LRFVTYWOQMYALW-UHFFFAOYSA-N.
Source: XANTHINE
Chemical Info
| InChI | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
|---|---|
| SMILES | O=C1NC2=C(NC=N2)C(=O)N1 |
| InChI Key | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
| Exact Mass | 152.033 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | f683babb-9488-4c2d-a04a-95cd1e1a99bc |
| Package id | msbnk-antwerp_univ-metox_p105206_ef88 |
| Resource type | HTML |
| State | active |