Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)
SMILES	O1CCN(CC1)CCNc1nc2c(c3c1cccc3)nc1n2cccc1
InChI Key	NYRZJQHSBUCBRV-UHFFFAOYSA-N
Molecular Formula	C20H21N5O
Exact Mass	347.414 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NYRZJQHSBUCBRV-UHFFFAOYSA-N/CHMO0000563.1
License URL
Source	https://www.chemotion-repository.net/inchikey/NYRZJQHSBUCBRV-UHFFFAOYSA-N/CHMO0000563.1
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:15:43.750485
MetadataModified	2024-09-08T00:12:50.494890
MetadataPublished	2023-01-23

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

Data-Source Molecule ID	Data-Source
166451850	PubChem
The data in this table is sourced from UniChem at EBI.