Dataset

3-Iodotyrosine

This MassBank record with Accession MSBNK-Keio_Univ-KO001243 contains the MS2 mass spectrum of 3-Iodotyrosine with the InChIkey UQTZMGFTRHFAAM-ZETCQYMHSA-N.

Chemical Info

InChI	InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
SMILES	OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c1
InChI Key	UQTZMGFTRHFAAM-ZETCQYMHSA-N
Molecular Formula	C9H10INO3
Exact Mass	306.971 g/mol

Data and Resources

3-IodotyrosineHTML
Explore
- More information
- Go to resource

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-KO001243
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T17:26:11.950260
MetadataModified	2025-02-09T14:27:47.775432
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL479789	ChEMBL
C02515	KEGG Ligand
DB01758	DrugBank
IYR	PDBe
27847	ChEBI
59898	ChEBI
ZINC000000001575	ZINC
J4.880A	Nikkaji
DTXSID1075353	EPA CompTox Dashboard
37633	BindingDB
TICFIV	CCDC
HY-W008452	MedChemExpress
CB5721061	ChemicalBook
59898	Rhea
44266	Brenda
HMDB0000021	Human Metabolome Database
19981	Brenda
20385	Brenda
MTBLC27847	Metabolights
2332	Brenda
MTBLC59898	Metabolights
FRQ98U4U27	FDA SRS
PD002697	ProbesDrugs
6918986	PubChem
16147179	PubChem: Thomson Pharma
60021030	NMRShiftDB
2751-18-0	ACToR
SCHEMBL159412	SureChEMBL
439744	PubChem
3ityr_L	Recon
523433	eMolecules
The data in this table is sourced from UniChem at EBI.