Dataset

Roquefortine M

This MassBank record with Accession MSBNK-AAFC-AC000929 contains the MS2 mass spectrum of Roquefortine M with the InChIkey GIYROBMIPLLHQE-OQLLNIDSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H23N5O4/c1-4-21(2,3)22(14-7-5-6-8-17(14)27(31)20(22)30)10-16-19(29)25-15(18(28)26-16)9-13-11-23-12-24-13/h4-9,11-12,16,31H,1,10H2,2-3H3,(H,23,24)(H,25,29)(H,26,28)/b15-9+
SMILES CC(C=C)(C1(C(N(O)C2=CC=CC=C12)=O)CC3C(N/C(C(N3)=O)=C/C4=CN=CN4)=O)C
InChI Key GIYROBMIPLLHQE-OQLLNIDSSA-N
Molecular Formula C22H23N5O4
Exact Mass 421.175 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-AC000929
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:31.184212
MetadataModified 2024-01-11T09:24:31.335958
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137628390 PubChem
The data in this table is sourced from UniChem at EBI.