Dataset

Capecitabine

This MassBank record with Accession MSBNK-Athens_Univ-AU214003 contains the MS2 mass spectrum of Capecitabine with the InChIkey GAGWJHPBXLXJQN-UORFTKCHSA-N.

Chemical Info

molecular Image
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

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU214003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:54:00.156694
MetadataModified 2025-02-08T18:58:38.093863
MetadataPublished 2015-12-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.