Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2
SMILES	c1ccc(cc1)CNc1c(nc2n1cccc2)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	ZLJOSDAHLIZTQZ-UHFFFAOYSA-N
Molecular Formula	C30H27N3
Exact Mass	429.555 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZLJOSDAHLIZTQZ-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/ZLJOSDAHLIZTQZ-UHFFFAOYSA-N/CHMO0000563
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:01:52.724388
MetadataModified	2024-09-07T22:35:25.069579
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
164889658	PubChem
The data in this table is sourced from UniChem at EBI.