Caffeine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU276601
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU276601 contains the MS2 mass spectrum of Caffeine with the InChIkey RYYVLZVUVIJVGH-UHFFFAOYSA-N.
Source: Caffeine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
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)C(=O)N2C |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| 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 4.0 International (CC BY 4.0) |
| Id | e994aa61-8b96-4f3f-8323-530e65fd8426 |
| Package id | msbnk-athens_univ-au276601 |
| Resource type | HTML |
| State | active |