KU60648_BTP_M10
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000212
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000212 contains the MS2 mass spectrum of KU60648_BTP_M10 with the InChIkey HFYKQUUKTPHBCS-UHFFFAOYSA-N.
Source: KU60648_BTP_M10
Chemical Info
| InChI | InChI=1S/C31H28N2O9S/c34-20-14-22(33-10-12-40-13-11-33)41-27-15(5-3-6-17(20)27)16-8-9-19(23-18-4-1-2-7-21(18)43-29(16)23)32-30-26(37)24(35)25(36)28(42-30)31(38)39/h1-9,14,24-26,28,30,32,35-37H,10-13H2,(H,38,39) |
|---|---|
| SMILES | O=C1C=C(N2CCOCC2)OC3=C1C=CC=C3C4=C(SC5=CC=CC=C56)C6=C(N(C7C(O)C(O)C(O)C(C(O)=O)O7)[H])C=C4 |
| InChI Key | HFYKQUUKTPHBCS-UHFFFAOYSA-N |
| Molecular Formula | C31H28N2O9S |
| Exact Mass | 604.152 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 | a386057f-bdf3-4652-aade-40b39a8be2e7 |
| Package id | msbnk-uob-xb000212 |
| Resource type | HTML |
| State | active |