Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3
SMILES	CCCCCNc1c(nc2n1cccc2)c1cc2CCc3ccc(CCc1cc2)cc3c1nc2n(c1NCCCCC)cccc2
InChI Key	NGPFPSHZDMLAMO-UHFFFAOYSA-N
Molecular Formula	C40H46N6
Exact Mass	610.833 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NGPFPSHZDMLAMO-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/NGPFPSHZDMLAMO-UHFFFAOYSA-N/CHMO0000563
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:59:09.646138
MetadataModified	2024-09-07T22:31:46.275172
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
164889655	PubChem
The data in this table is sourced from UniChem at EBI.