1-Methylxanthine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01150658
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01150658 contains the MS2 mass spectrum of 1-Methylxanthine with the InChIkey MVOYJPOZRLFTCP-UHFFFAOYSA-N.
Source: 1-Methylxanthine
Chemical Info
| InChI | InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) |
|---|---|
| SMILES | CN1C(=O)C2=C(NC1=O)N=CN2 |
| InChI Key | MVOYJPOZRLFTCP-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O2 |
| Exact Mass | 166.049 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 0b35f76f-d7f9-4f04-9e4c-88c0ab072653 |
| Package id | msbnk-eawag-eq01150658 |
| Resource type | HTML |
| State | active |