Dataset

Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS018405 contains the MS2 mass spectrum of Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine with the InChIkey CVSVTCORWBXHQV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
SMILES CN(CC(=O)O)C(=N)N
InChI Key CVSVTCORWBXHQV-UHFFFAOYSA-N
Molecular Formula C4H9N3O2
Exact Mass 131.135 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-PS018405
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:20:36.107910
MetadataModified 2025-02-09T19:06:01.861635
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL21567 SureChEMBL
MCULE-3625061513 Mcule
MTBLC57947 Metabolights
433 Brenda
HMDB0000064 Human Metabolome Database
CB3674978 ChemicalBook
ZINC000003861770 ZINC
MTBLC16919 Metabolights
15170675 PubChem: Thomson Pharma
586 PubChem
60020491 NMRShiftDB
PD010201 ProbesDrugs
MU72812GK0 FDA SRS
creat Recon
57-00-1 ACToR
PA164778930 PharmGKB
creatine Atlas
494174 eMolecules
CHEMBL283800 ChEMBL
57947 ChEBI
CRN PDBe
16919 ChEBI
C00300 KEGG Ligand
DB00148 DrugBank
DTXSID1040451 EPA CompTox Dashboard
HY-W010388 MedChemExpress
CREATINE clinicaltrials
CREATINE rxnorm
CREATINE DailyMed
50357229 BindingDB
JOHJIB CCDC
J9.321A Nikkaji
4496 Guide to Pharmacology
4661 DrugCentral
57947 Rhea
The data in this table is sourced from UniChem at EBI.