Anthraquinone base + 2O, MeOH, O-Hex-Pen
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309399
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309399 contains the MS2 mass spectrum of Anthraquinone base + 2O, MeOH, O-Hex-Pen with the InChIkey NVKNRXOMCYTFJF-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C26H28O14/c27-6-12-14(5-11-16(19(12)31)18(30)10-4-2-1-3-9(10)17(11)29)39-26-24(36)22(34)21(33)15(40-26)8-38-25-23(35)20(32)13(28)7-37-25/h1-5,13,15,20-28,31-36H,6-8H2 |
|---|---|
| SMILES | O=C3C=5C=CC=CC=5(C(=O)C=4C(O)=C(C(OC2OC(COC1OCC(O)C(O)C1(O))C(O)C(O)C2(O))=CC3=4)CO) |
| InChI Key | NVKNRXOMCYTFJF-UHFFFAOYSA-N |
| Molecular Formula | C26H28O14 |
| Exact Mass | 564.496 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 8d61750c-4c90-4ed8-8e60-f8c916035fbf |
| Package id | msbnk-riken-pr309399 |
| Resource type | HTML |
| State | active |