Dataset

1,3-DIAMINOUREA

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009979 contains the MS mass spectrum of 1,3-DIAMINOUREA with the InChIkey XEVRDFDBXJMZFG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
SMILES NNC(=O)NN
InChI Key XEVRDFDBXJMZFG-UHFFFAOYSA-N
Molecular Formula CH6N4O
Exact Mass 90.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP009979
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:38.560744
MetadataModified 2024-01-11T15:55:38.731401
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID5038757 EPA CompTox Dashboard
489090 eMolecules
ZINC000064634060 ZINC
96266 Brenda
CB4752419 ChemicalBook
139082 Brenda
497-18-7 ACToR
W8V7FYY4WH FDA SRS
15437066 PubChem: Thomson Pharma
J2.600J Nikkaji
HMDB0249636 Human Metabolome Database
CBOHAZ CCDC
73948 PubChem
SCHEMBL64716 SureChEMBL
61308 ChEBI
The data in this table is sourced from UniChem at EBI.