Dataset
![molecular Image]()
beta-Alanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
Chemical Info
| Synonyms |
|---|
| 3-Aminopropanoate |
| b-Ala |
| 3-Aminopropionic acid |
| beta-Alanine |
| InChI | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
|---|---|
| SMILES | NCCC(O)=O |
| InChI Key | UCMIRNVEIXFBKS-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO2 |
| Exact Mass | 89.048 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-Keio_Univ-KO002082 |
| Version | |
| Author | |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-01-11T17:39:24.226462 |
| MetadataModified | 2024-01-22T12:42:35.386064 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL297569 | ChEMBL |
| DB03107 | DrugBank |
| C00099 | KEGG Ligand |
| 57966 | ChEBI |
| 2365 | Guide to Pharmacology |
| 16958 | ChEBI |
| BAL | PDBe |
| ZINC000004658555 | ZINC |
| 50000102 | BindingDB |
| BETA-ALANINE | rxnorm |
| HY-N0230 | MedChemExpress |
| BALNIN | CCDC |
| DTXSID0030823 | EPA CompTox Dashboard |
| SCHEMBL21500 | SureChEMBL |
| J4.070C | Nikkaji |
| 1199 | Brenda |
| 4755801 | PubChem |
| PD007378 | ProbesDrugs |
| SCHEMBL23829722 | SureChEMBL |
| 11P2JDE17B | FDA SRS |
| 15339064 | PubChem: Thomson Pharma |
| 107-95-9 | ACToR |
| 28854-76-4 | ACToR |
| ala_B | Recon |
| 203114 | Brenda |
| 494 | Brenda |
| 92730 | Brenda |
| 16830 | Brenda |
| HMDB0000056 | Human Metabolome Database |
| 182618 | Brenda |
| 57966 | Rhea |
| CB0711205 | ChemicalBook |
| 207597 | Brenda |
| MTBLC57966 | Metabolights |
| MTBLC16958 | Metabolights |
| 145296 | Brenda |
| 10016956 | NMRShiftDB |
| MCULE-1344289084 | Mcule |
| 239 | PubChem |
| 476066 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |