Dataset

Fumiquinazoline F

This MassBank record with Accession MSBNK-AAFC-AC000911 contains the MS2 mass spectrum of Fumiquinazoline F with the InChIkey SUVZUTHVKIBYOH-KPZWWZAWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18+/m0/s1
SMILES C[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)CC4=CNC5=CC=CC=C54
InChI Key SUVZUTHVKIBYOH-KPZWWZAWSA-N
Molecular Formula C21H18N4O2
Exact Mass 358.143 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-AC000911
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:25.414945
MetadataModified 2024-01-11T09:24:25.584082
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15076837 PubChem: Thomson Pharma
64550 ChEBI
60073860 NMRShiftDB
DTXSID30891847 EPA CompTox Dashboard
MTBLC64550 Metabolights
CHEMBL2229117 ChEMBL
ZINC000015219760 ZINC
J2.450.529D Nikkaji
10089772 PubChem
The data in this table is sourced from UniChem at EBI.