KU60648_BTP_M14
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000205
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000205 contains the MS2 mass spectrum of KU60648_BTP_M14 with the InChIkey BTMHRDSTPWZKMJ-UHFFFAOYSA-N.
Source: KU60648_BTP_M14
Chemical Info
| InChI | InChI=1S/C31H30N4O4S/c36-25-18-28(35-14-16-38-17-15-35)39-30-20(5-3-6-22(25)30)21-8-9-24(33-27(37)19-34-12-10-32-11-13-34)29-23-4-1-2-7-26(23)40-31(21)29/h1-9,18,32H,10-17,19H2,(H,33,37) |
|---|---|
| SMILES | O=C1C=C(OC2=C1C=CC=C2C3=C4SC5=CC=CC=C5C4=C(C=C3)N([H])C(CN6CCNCC6)=O)N7CCOCC7 |
| InChI Key | BTMHRDSTPWZKMJ-UHFFFAOYSA-N |
| Molecular Formula | C31H30N4O4S |
| Exact Mass | 554.199 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 | d75639dd-de1b-468e-9ef9-12cc9ba29552 |
| Package id | msbnk-uob-xb000205 |
| Resource type | HTML |
| State | active |