Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C17H21N5O/c1-12(2)8-16(23)22-11-15-10-21(19-17(15)18-20-22)9-14-6-4-13(3)5-7-14/h4-7,10,12H,8-9,11H2,1-3H3
SMILES	CC(CC(=O)N1N=Nc2c(C1)cn(n2)Cc1ccc(cc1)C)C
InChI Key	KEQOQOHNHBUGFW-UHFFFAOYSA-N
Molecular Formula	C17H21N5O
Exact Mass	311.382 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KEQOQOHNHBUGFW-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/KEQOQOHNHBUGFW-UHFFFAOYSA-N/CHMO0000563
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:47:02.799210
MetadataModified	2024-09-07T20:04:38.470351
MetadataPublished	2021-07-11

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

Data-Source Molecule ID	Data-Source
155928564	PubChem
The data in this table is sourced from UniChem at EBI.