Caffeine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00568
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00568 contains the MS2 mass spectrum of Caffeine with the InChIkey RYYVLZVUVIJVGH-UHFFFAOYSA-N.
Source: Caffeine
Chemical Info
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
|---|---|
| SMILES | Cn(c2)c(C(=O)1)c(n2)N(C)C(=O)N(C)1 |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
| Exact Mass | 194.080 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 | cdc39f1c-07ae-4327-9c1e-85461af5cbb0 |
| Package id | msbnk-fiocruz-fio00568 |
| Resource type | HTML |
| State | active |