Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C46H42N6O2/c53-43-32-18-7-8-19-33(32)44(54)37-28-29(24-25-34(37)43)40-35(41-45(47-30-14-3-1-4-15-30)51-26-11-9-22-38(51)49-41)20-13-21-36(40)42-46(48-31-16-5-2-6-17-31)52-27-12-10-23-39(52)50-42/h7-13,18-28,30-31,47-48H,1-6,14-17H2
SMILES	O=C1c2ccc(cc2C(=O)c2c1cccc2)c1c(cccc1c1nc2n(c1NC1CCCCC1)cccc2)c1nc2n(c1NC1CCCCC1)cccc2
InChI Key	DKFXOUWDGJUHSG-UHFFFAOYSA-N
Molecular Formula	C46H42N6O2
Exact Mass	710.865 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DKFXOUWDGJUHSG-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/DKFXOUWDGJUHSG-UHFFFAOYSA-N/CHMO0000563
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:40:37.966568
MetadataModified	2024-09-08T01:40:37.966574
MetadataPublished	2023-10-02

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

Data-Source Molecule ID	Data-Source
168665442	PubChem
The data in this table is sourced from UniChem at EBI.