Dataset

Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS034705 contains the MS2 mass spectrum of Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon with the InChIkey XOAAWQZATWQOTB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
SMILES	C(CS(=O)(=O)O)N
InChI Key	XOAAWQZATWQOTB-UHFFFAOYSA-N
Molecular Formula	C2H7NO3S
Exact Mass	125.147 g/mol

Data and Resources

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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-PS034705
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:41.749018
MetadataModified	2024-01-11T21:06:41.898532
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
TAURIN	CCDC
11497	Brenda
J5.056C	Nikkaji
4486	DrugCentral
DTXSID3021304	EPA CompTox Dashboard
HY-B0351	MedChemExpress
TAURINE	clinicaltrials
AMINOETHYLSULFONIC ACID	clinicaltrials
TAURINE	rxnorm
TAURATE	rxnorm
228537	Brenda
TAURINE	DailyMed
50357220	BindingDB
CB42129798	ChemicalBook
CHEMBL239243	ChEMBL
DB01956	DrugBank
2379	Guide to Pharmacology
507393	ChEBI
15891	ChEBI
TAU	PDBe
C00245	KEGG Ligand
Taurine	Selleck
15146560	PubChem: Thomson Pharma
4068592	PubChem
107-35-7	ACToR
taur	Recon
1EQV5MLY3D	FDA SRS
PD000392	ProbesDrugs
1123	PubChem
475330	eMolecules
MTBLC15891	Metabolights
49437	Brenda
595	Brenda
57673	Brenda
49436	Brenda
HMDB0000251	Human Metabolome Database
507393	Rhea
CB2742654	ChemicalBook
taurine	DailyMed
ZINC000003809490	ZINC
MTBLC507393	Metabolights
20107083	NMRShiftDB
SCHEMBL23068	SureChEMBL
MCULE-6041857208	Mcule
The data in this table is sourced from UniChem at EBI.