Bergapten
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00701
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00701 contains the MS2 mass spectrum of Bergapten with the InChIkey BGEBZHIAGXMEMV-UHFFFAOYSA-N.
Source: Bergapten
Chemical Info
| InChI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
|---|---|
| SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| InChI Key | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| Molecular Formula | C12H8O4 |
| Exact Mass | 216.042 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 | 24ef1dce-3a4a-4bd8-a435-a4a155e4d029 |
| Package id | msbnk-washington_state_univ-bml00701 |
| Resource type | HTML |
| State | active |