Dataset

Methyldopa

This MassBank record with Accession MSBNK-Waters-WA001403 contains the MS mass spectrum of Methyldopa with the InChIkey CJCSPKMFHVPWAR-JTQLQIEISA-N.

InChI	InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1
SMILES	OC(=O)C(C)(N)Cc(c1)cc(O)c(O)c1
InChI Key	CJCSPKMFHVPWAR-JTQLQIEISA-N
Molecular Formula	C10H13NO4
Exact Mass	211.084 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001403
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:41:33.130044
MetadataModified	2025-02-09T20:21:34.895929
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00968	DrugBank
CHEMBL459	ChEMBL
C07194	KEGG Ligand
61058	ChEBI
J9.247I	Nikkaji
5217	Guide to Pharmacology
ZINC000000020255	ZINC
DTXSID5023295	EPA CompTox Dashboard
HY-B0225	MedChemExpress
METHYLDOPA	clinicaltrials
DOPEGYT	clinicaltrials
DOPAMET	clinicaltrials
ALDOMET	clinicaltrials
METHYLDOPA	rxnorm
METHYLDOPA ANHYDROUS	rxnorm
METHYLDOPA	DailyMed
CB2723064	ChemicalBook
48449	BindingDB
1762	DrugCentral
163489324	PubChem: Thomson Pharma
38853	PubChem
PD001858	ProbesDrugs
80004369	NMRShiftDB
M4R0H12F6M	FDA SRS
methyldopa	Atlas
Methyldopa(Aldomet)	Selleck
133161-54-3	ACToR
SCHEMBL34003	SureChEMBL
PA450453	PharmGKB
14748911	PubChem: Thomson Pharma
LSM-5596	LINCS
1012713	eMolecules
methyldopa	DailyMed
21855	Brenda
CB4277127	ChemicalBook
MTBLC61058	Metabolights
HMDB0011754	Human Metabolome Database
155827	Brenda
96125	Brenda
45673	Brenda
6919173	PubChem
MCULE-8885874119	Mcule
The data in this table is sourced from UniChem at EBI.