Dataset

TAURINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101002_F638 contains the MS2 mass spectrum of TAURINE with the InChIkey XOAAWQZATWQOTB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
SMILES NCCS(O)(=O)=O
InChI Key XOAAWQZATWQOTB-UHFFFAOYSA-N
Molecular Formula C2H7NO3S
Exact Mass 125.015 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101002_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:24.587199
MetadataModified 2024-01-11T09:31:24.753662
MetadataPublished 2021-12-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC507393 Metabolights
MTBLC15891 Metabolights
CB42129798 ChemicalBook
taurine DailyMed
CB2742654 ChemicalBook
507393 Rhea
HMDB0000251 Human Metabolome Database
49436 Brenda
57673 Brenda
595 Brenda
49437 Brenda
475330 eMolecules
Taurine Selleck
PD000392 ProbesDrugs
107-35-7 ACToR
1123 PubChem
15146560 PubChem: Thomson Pharma
1EQV5MLY3D FDA SRS
taur Recon
4068592 PubChem
20107083 NMRShiftDB
SCHEMBL23068 SureChEMBL
MCULE-6041857208 Mcule
228537 Brenda
TAURATE rxnorm
TAURINE rxnorm
AMINOETHYLSULFONIC ACID clinicaltrials
TAURINE clinicaltrials
50357220 BindingDB
TAURIN CCDC
11497 Brenda
TAURINE DailyMed
HY-B0351 MedChemExpress
J5.056C Nikkaji
ZINC000003809490 ZINC
DTXSID3021304 EPA CompTox Dashboard
4486 DrugCentral
CHEMBL239243 ChEMBL
DB01956 DrugBank
2379 Guide to Pharmacology
507393 ChEBI
15891 ChEBI
TAU PDBe
C00245 KEGG Ligand
The data in this table is sourced from UniChem at EBI.