sunitinib_BTP_M13
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000110
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000110 contains the MS2 mass spectrum of sunitinib_BTP_M13 with the InChIkey OLBSUIITKHHXBA-GDNBJRDFSA-N.
Source: sunitinib_BTP_M13
Chemical Info
| InChI | InChI=1S/C28H35FN4O9/c1-5-33(6-2)8-7-30-26(37)20-12(3)17(31-13(20)4)10-15-14-9-16(29)19(11-18(14)32-25(15)36)41-23-21(34)24(27(38)39)42-28(40)22(23)35/h9-11,21-24,28,31,34-35,40H,5-8H2,1-4H3,(H,30,37)(H,32,36)(H,38,39)/b15-10- |
|---|---|
| SMILES | O=C1NC(C=C(OC(C(C(OC2O)C(O)=O)O)C2O)C(F)=C3)=C3/C1=C/C4=C(C)C(C(NCCN(CC)CC)=O)=C(C)N4 |
| InChI Key | OLBSUIITKHHXBA-GDNBJRDFSA-N |
| Molecular Formula | C28H35FN4O9 |
| Exact Mass | 590.239 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 | 13a51b5c-40b6-42d4-a416-b681f76aff11 |
| Package id | msbnk-uob-xb000110 |
| Resource type | HTML |
| State | active |