Dataset

Guanidineacetic acid, N-Guanylglycine, Guanidinoacetate, Betacyamine, 2-(diaminomethylideneamino)acetic acid, Glykocyamin, Glycocyamine, Guanidoacetate, N-Amidinoglycine, Betasyamine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT210250 contains the MS2 mass spectrum of Guanidineacetic acid, N-Guanylglycine, Guanidinoacetate, Betacyamine, 2-(diaminomethylideneamino)acetic acid, Glykocyamin, Glycocyamine, Guanidoacetate, N-Amidinoglycine, Betasyamine with the InChIkey BPMFZUMJYQTVII-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
SMILES C(C(=O)O)N=C(N)N
InChI Key BPMFZUMJYQTVII-UHFFFAOYSA-N
Molecular Formula C3H7N3O2
Exact Mass 117.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT210250
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:21.362419
MetadataModified 2024-01-11T21:07:21.567294
MetadataPublished 2008-07-29
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB02751 DrugBank
C00581 KEGG Ligand
CHEMBL281593 ChEMBL
16344 ChEBI
NMG PDBe
515597 eMolecules
10661 Brenda
MTBLC16344 Metabolights
MTBLC57742 Metabolights
21148 Brenda
5325 Guide to Pharmacology
57742 ChEBI
CB7298833 ChemicalBook
57742 Rhea
HMDB0000128 Human Metabolome Database
1788 Brenda
HY-W021448 MedChemExpress
50021601 BindingDB
SCHEMBL22719975 SureChEMBL
ZINC000000895314 ZINC
3946848 PubChem
60020795 NMRShiftDB
PD007669 ProbesDrugs
16935329 PubChem: Thomson Pharma
gudac Recon
352-97-6 ACToR
131533521 PubChem: Thomson Pharma
GO52O1A04E FDA SRS
763 PubChem
J4.504G Nikkaji
GUACET CCDC
MCULE-8327589872 Mcule
SCHEMBL33970 SureChEMBL
The data in this table is sourced from UniChem at EBI.