Dataset

Oxycarboxin

This MassBank record with Accession MSBNK-Waters-WA000034 contains the MS2 mass spectrum of Oxycarboxin with the InChIkey AMEKQAFGQBKLKX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
SMILES c(c2)ccc(c2)NC(=O)C(=C(C)1)S(=O)(=O)CCO1
InChI Key AMEKQAFGQBKLKX-UHFFFAOYSA-N
Molecular Formula C12H13NO4S
Exact Mass 267.057 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000034
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:45:37.358229
MetadataModified 2025-02-09T20:27:48.254264
MetadataPublished 2016-01-19
Related Molecule