Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C16H19N7O2/c1-11(2)21(12(3)4)20-19-16-13(9-17)10-18-22(16)14-5-7-15(8-6-14)23(24)25/h5-8,10-12H,1-4H3/b20-19+
SMILES	N#Cc1cnn(c1/N=N/N(C(C)C)C(C)C)c1ccc(cc1)[N+](=O)[O-]
InChI Key	ZRSIZLVHDLEVQU-FMQUCBEESA-N
Molecular Formula	C16H19N7O2
Exact Mass	341.368 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZRSIZLVHDLEVQU-FMQUCBEESA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/ZRSIZLVHDLEVQU-FMQUCBEESA-N/CHMO0000563
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:59:12.589156
MetadataModified	2024-09-07T20:20:10.541866
MetadataPublished	2021-07-11

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

Data-Source Molecule ID	Data-Source
155928579	PubChem
The data in this table is sourced from UniChem at EBI.