Caffeine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00696
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00696 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 | CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | f5e65867-17d5-4795-a39e-1a1010872de9 |
| Package id | msbnk-washington_state_univ-bml00696 |
| Resource type | HTML |
| State | active |