7-Methylxanthine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP016301
Dataset description:
This MassBank record with Accession MSBNK-BGC_Munich-RP016301 contains the MS2 mass spectrum of 7-Methylxanthine with the InChIkey PFWLFWPASULGAN-UHFFFAOYSA-N.
Source: 7-Methylxanthine
Chemical Info
| InChI | InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) |
|---|---|
| SMILES | Cn1cnc2[nH]c(=O)[nH]c(=O)c12 |
| InChI Key | PFWLFWPASULGAN-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O2 |
| Exact Mass | 166.049 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 | 1a277bfa-97ae-4346-b8a0-8d1c62399cfe |
| Package id | msbnk-bgc_munich-rp016301 |
| Resource type | HTML |
| State | active |