Capecitabine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU214003
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU214003 contains the MS2 mass spectrum of Capecitabine with the InChIkey GAGWJHPBXLXJQN-UORFTKCHSA-N.
Source: Capecitabine
Chemical Info
| InChI | InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1 |
|---|---|
| SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O |
| InChI Key | GAGWJHPBXLXJQN-UORFTKCHSA-N |
| Molecular Formula | C15H22FN3O6 |
| Exact Mass | 359.149 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 1dac1571-ea16-4646-b62f-26c0c739f821 |
| Package id | msbnk-athens_univ-au214003 |
| Resource type | HTML |
| State | active |