Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C22H20N2O2/c25-24(26)21-13-11-20(12-14-21)23-22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15,23H,5-7,9H2
SMILES	[O-][N+](=O)c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	JHKWAMLRTSXGOG-UHFFFAOYSA-N
Molecular Formula	C22H20N2O2
Exact Mass	344.406 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JHKWAMLRTSXGOG-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/JHKWAMLRTSXGOG-UHFFFAOYSA-N/CHMO0000563
Version
Author	Jasmin Seibert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:38:08.758237
MetadataModified	2025-01-29T16:30:30.482234
MetadataPublished	2024-11-18

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
167126123	PubChem
SCHEMBL24548408	SureChEMBL
The data in this table is sourced from UniChem at EBI.