Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H21N5O2/c1-6-19-12(18)10-7-13-14-11(10)15-16-17(8(2)3)9(4)5/h7-9H,6H2,1-5H3,(H,13,14)/b16-15+
SMILES	CCOC(=O)c1c[nH]nc1/N=N/N(C(C)C)C(C)C
InChI Key	XLGLVRGMYSSDFW-FOCLMDBBSA-N
Molecular Formula	C12H21N5O2
Exact Mass	267.327 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XLGLVRGMYSSDFW-FOCLMDBBSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/XLGLVRGMYSSDFW-FOCLMDBBSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:54:45.963779
MetadataModified	2024-09-07T14:50:07.224499
MetadataPublished	2019-03-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137530495	PubChem
The data in this table is sourced from UniChem at EBI.