Dataset

LEVULINIC ACID

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010606 contains the MS mass spectrum of LEVULINIC ACID with the InChIkey JOOXCMJARBKPKM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
SMILES CC(=O)CCC(O)=O
InChI Key JOOXCMJARBKPKM-UHFFFAOYSA-N
Molecular Formula C5H8O3
Exact Mass 116.047 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-JP010606
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:11.582555
MetadataModified 2024-01-11T15:56:11.741760
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11579 PubChem
PD008114 ProbesDrugs
15188728 PubChem: Thomson Pharma
123-76-2 ACToR
RYX5QG61EI FDA SRS
MCULE-1392778065 Mcule
SCHEMBL20868 SureChEMBL
J10.067F Nikkaji
10008922 NMRShiftDB
45630 ChEBI
DTXSID8021648 EPA CompTox Dashboard
LMFA01060006 LipidMaps
ZINC000000586584 ZINC
NIPPEJ CCDC
82191 BindingDB
LEVULINIC ACID DailyMed
HY-Y0839 MedChemExpress
CALCIUM LEVULINATE rxnorm
LEVULINIC ACID clinicaltrials
CALCIUM LAEVULINATE clinicaltrials
CALCIUM LEVULINATE clinicaltrials
MAGNESIUM DIASPORAL clinicaltrials
MAGNESIUM LEVULINATE clinicaltrials
LEVULINIC ACID rxnorm
100859 Brenda
166631 Brenda
50078 Brenda
CB3213533 ChemicalBook
8266 Brenda
HMDB0000720 Human Metabolome Database
56601 Brenda
MTBLC45630 Metabolights
SHF PDBe
DB02239 DrugBank
CHEMBL1235931 ChEMBL
711531 eMolecules
The data in this table is sourced from UniChem at EBI.