Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3
SMILES	CCOC(=O)c1c(N=[N+]=[N-])c(C(=O)OCC)c(c(c1N=[N+]=[N-])C(=O)OCC)N=[N+]=[N-]
InChI Key	ZFITVFRKCNNFJG-UHFFFAOYSA-N
Molecular Formula	C15H15N9O6
Exact Mass	417.336 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZFITVFRKCNNFJG-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/ZFITVFRKCNNFJG-UHFFFAOYSA-N/CHMO0000563
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:49:49.248880
MetadataModified	2024-09-07T22:22:49.508203
MetadataPublished	2022-06-23

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

Data-Source Molecule ID	Data-Source
163407582	PubChem
The data in this table is sourced from UniChem at EBI.