Dataset

METHIONINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101401_F638 contains the MS2 mass spectrum of METHIONINE with the InChIkey FFEARJCKVFRZRR-BYPYZUCNSA-N.

Chemical Info

InChI	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
SMILES	CSCC[C@H](N)C(O)=O
InChI Key	FFEARJCKVFRZRR-BYPYZUCNSA-N
Molecular Formula	C5H11NO2S
Exact Mass	149.051 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101401_F638
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:29:55.106232
MetadataModified	2024-01-11T09:29:55.270336
MetadataPublished	2021-12-13

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL42336	ChEMBL
DB00134	DrugBank
16643	ChEBI
MET	PDBe
57844	ChEBI
C00073	KEGG Ligand
514491	eMolecules
14772273	PubChem: Thomson Pharma
6992087	PubChem
6137	PubChem
60018689	NMRShiftDB
PD010211	ProbesDrugs
256541	Brenda
methionine	Atlas
AE28F7PNPL	FDA SRS
met_L	Recon
33807-07-7	ACToR
26062-47-5	ACToR
3654-96-4	ACToR
58576-49-1	ACToR
24425-78-3	ACToR
242044	Brenda
LMETON	CCDC
MCULE-7228063662	Mcule
MCULE-3383932641	Mcule
SCHEMBL4226	SureChEMBL
4814	Guide to Pharmacology
J9.174J	Nikkaji
3347	DrugCentral
ZINC000001532529	ZINC
50142500	BindingDB
METHIONINE	DailyMed
230480	Brenda
DTXSID5040548	EPA CompTox Dashboard
METHIONINE	clinicaltrials
L-METHIONINE	clinicaltrials
HY-N0326	MedChemExpress
METHIONINE	rxnorm
57844	Rhea
methionine	DailyMed
468	Brenda
MTBLC57844	Metabolights
PA450423	PharmGKB
HMDB0000696	Human Metabolome Database
138053	Brenda
136827	Brenda
692	Brenda
678	Brenda
88	Brenda
MTBLC16643	Metabolights
The data in this table is sourced from UniChem at EBI.