Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C48H30N6/c1-4-10-43-37(7-1)40(31-13-19-49-20-14-31)28-46(52-43)34-25-35(47-29-41(32-15-21-50-22-16-32)38-8-2-5-11-44(38)53-47)27-36(26-34)48-30-42(33-17-23-51-24-18-33)39-9-3-6-12-45(39)54-48/h1-30H
SMILES	n1ccc(cc1)c1cc(nc2c1cccc2)c1cc(cc(c1)c1nc2ccccc2c(c1)c1ccncc1)c1nc2ccccc2c(c1)c1ccncc1
InChI Key	JTRLIYPGUAYPND-UHFFFAOYSA-N
Molecular Formula	C48H30N6
Exact Mass	690.792 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JTRLIYPGUAYPND-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/JTRLIYPGUAYPND-UHFFFAOYSA-N/CHMO0000563
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:05:40.490247
MetadataModified	2024-09-07T17:51:59.805913
MetadataPublished	2020-05-03

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

Data-Source Molecule ID	Data-Source
68021335	PubChem
SCHEMBL10057630	SureChEMBL
CB02717621	ChemicalBook
J3.001.168F	Nikkaji
The data in this table is sourced from UniChem at EBI.