Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-
SMILES	O=C(/C=C\C(=O)O)NCCCCCCNC(=O)/C=C\C(=O)O
InChI Key	WPUBWLUSKQXZNQ-SFECMWDFSA-N
Molecular Formula	C14H20N2O6
Exact Mass	312.318 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/WPUBWLUSKQXZNQ-SFECMWDFSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WPUBWLUSKQXZNQ-SFECMWDFSA-N/CHMO0000470
Version
Author	hatice mutlu
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:55:37.415433
MetadataModified	2024-09-08T00:55:37.415438
MetadataPublished	2023-05-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
45071950	PubChem
ZINC000100037758	ZINC
SCHEMBL8857549	SureChEMBL
J2.552.933B	Nikkaji
36848-00-7	ACToR
The data in this table is sourced from UniChem at EBI.