Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3
SMILES	CC(Nc1c(nc2n1cccc2)c1cc2CCc3ccc(CCc1cc2)cc3)(C)C
InChI Key	MYNWXOBDAHAYHJ-UHFFFAOYSA-N
Molecular Formula	C27H29N3
Exact Mass	395.539 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MYNWXOBDAHAYHJ-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/MYNWXOBDAHAYHJ-UHFFFAOYSA-N/CHMO0000563
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:02:28.848021
MetadataModified	2024-09-07T22:36:12.147188
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
164889666	PubChem
The data in this table is sourced from UniChem at EBI.