KU60648_BTP_M15
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000207
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000207 contains the MS2 mass spectrum of KU60648_BTP_M15 with the InChIkey QJYRVNWHFQHZKI-UHFFFAOYSA-N.
Source: KU60648_BTP_M15
Chemical Info
| InChI | InChI=1S/C31H32N4O5S/c36-16-14-35(15-17-37)28-18-25(38)22-6-3-5-20(30(22)40-28)21-8-9-24(33-27(39)19-34-12-10-32-11-13-34)29-23-4-1-2-7-26(23)41-31(21)29/h1-9,18,32,36-37H,10-17,19H2,(H,33,39) |
|---|---|
| SMILES | OCCN(C1=CC(C2=C(C(C3=C4SC5=CC=CC=C5C4=C(C=C3)N([H])C(CN6CCNCC6)=O)=CC=C2)O1)=O)CCO |
| InChI Key | QJYRVNWHFQHZKI-UHFFFAOYSA-N |
| Molecular Formula | C31H32N4O5S |
| Exact Mass | 572.209 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 | e4a10ab5-23c4-4723-9b58-483c28431df0 |
| Package id | msbnk-uob-xb000207 |
| Resource type | HTML |
| State | active |