3-Methylxanthine,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS103103
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS103103 contains the MS2 mass spectrum of 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX,...
Source: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione
Chemical Info
| InChI | InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC=N2 |
| InChI Key | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O2 |
| Exact Mass | 166.140 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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 09d0350c-fce6-4fb6-8f01-bc659aded270 |
| Package id | msbnk-riken_respect-ps103103 |
| Resource type | HTML |
| State | active |