Carminic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU136551
Dataset description:
This MassBank record with Accession MSBNK-LCSB-LU136551 contains the MS2 mass spectrum of Carminic acid with the InChIkey DGQLVPJVXFOQEV-JNVSTXMASA-N.
Source: Carminic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
Chemical Info
| InChI | InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21+/m1/s1 |
|---|---|
| SMILES | CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O |
| InChI Key | DGQLVPJVXFOQEV-JNVSTXMASA-N |
| Exact Mass | 492.090 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 | 25c421cd-ad92-49d3-822d-c05f908009bf |
| Package id | msbnk-lcsb-lu136551 |
| Resource type | HTML |
| State | active |