Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3
SMILES	CCCCCNc1c(nc2n1cccc2)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	UQJHNSOMYNCVFC-UHFFFAOYSA-N
Molecular Formula	C28H31N3
Exact Mass	409.566 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UQJHNSOMYNCVFC-UHFFFAOYSA-N/CHMO0000563.1
License URL
Source	https://www.chemotion-repository.net/inchikey/UQJHNSOMYNCVFC-UHFFFAOYSA-N/CHMO0000563.1
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:59:42.123206
MetadataModified	2024-09-07T22:32:30.673743
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
164889663	PubChem
The data in this table is sourced from UniChem at EBI.