Rosmarinic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR040221
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR040221 contains the MS2 mass spectrum of Rosmarinic acid with the InChIkey DOUMFZQKYFQNTF-WUTVXBCWSA-N.
Source: Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M+Na]+
Chemical Info
| InChI | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 |
|---|---|
| SMILES | OC(=O)C(OC(=O)C=Cc(c2)cc(O)c(O)c2)Cc(c1)cc(O)c(O)c1 |
| InChI Key | DOUMFZQKYFQNTF-WUTVXBCWSA-N |
| Exact Mass | 360.085 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 | 49734ddc-3b3b-4ab3-8fa4-c6b967cf05f1 |
| Package id | msbnk-riken-pr040221 |
| Resource type | HTML |
| State | active |