Dataset

3,4-Dihydroxy-L-phenylalanine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80328 contains the MS mass spectrum of 3,4-Dihydroxy-L-phenylalanine with the InChIkey WTDRDQBEARUVNC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
SMILES	C1=CC(=C(C=C1CC(C(=O)O)N)O)O
InChI Key	WTDRDQBEARUVNC-UHFFFAOYSA-N
Molecular Formula	C9H11NO4
Exact Mass	197.069 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80328
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:16:24.649661
MetadataModified	2025-02-09T20:04:33.012143
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-6834245595	Mcule
58663891	PubChem
20039638	NMRShiftDB
97588	Brenda
93253	Brenda
108244	Brenda
49008	Brenda
HMDB0000609	Human Metabolome Database
MTBLC49168	Metabolights
107593	Brenda
4886	Brenda
121923	Brenda
836	PubChem
PD041841	ProbesDrugs
15120912	PubChem: Thomson Pharma
59-92-7	ACToR
SCHEMBL24360	SureChEMBL
63-84-3	ACToR
477728	eMolecules
49168	ChEBI
CHEMBL351042	ChEMBL
HY-113404	MedChemExpress
QI9C343R60	FDA SRS
DTXSID8020549	EPA CompTox Dashboard
J128.150J	Nikkaji
LDOPAS	CCDC
4377	BindingDB
CB1327115	ChemicalBook
56256	Brenda
The data in this table is sourced from UniChem at EBI.