Dataset

Roquefortine A

This MassBank record with Accession MSBNK-AAFC-AC000551 contains the MS2 mass spectrum of Roquefortine A with the InChIkey GJSSYQDXZLZOLR-QMHBMSAFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18+/m0/s1
SMILES C[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@@H]1OC(=O)C)C
InChI Key GJSSYQDXZLZOLR-QMHBMSAFSA-N
Molecular Formula C18H22N2O2
Exact Mass 298.168 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-AAFC-AC000551
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:48.687997
MetadataModified 2024-01-11T09:23:48.836257
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
101286186 PubChem
J14.043K Nikkaji
The data in this table is sourced from UniChem at EBI.