Dataset

HOMOSERINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100902_FB57 contains the MS2 mass spectrum of HOMOSERINE with the InChIkey UKAUYVFTDYCKQA-VKHMYHEASA-N.

Chemical Info

InChI	InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
SMILES	N[C@@H](CCO)C(O)=O
InChI Key	UKAUYVFTDYCKQA-VKHMYHEASA-N
Molecular Formula	C4H9NO3
Exact Mass	119.058 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_P100902_FB57
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:31:13.337641
MetadataModified	2024-01-11T09:31:13.479680
MetadataPublished	2021-12-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB04193	DrugBank
C00263	KEGG Ligand
CHEMBL11722	ChEMBL
15699	ChEBI
57476	ChEBI
HSE	PDBe
518497	eMolecules
6971022	PubChem
60018693	NMRShiftDB
PD006892	ProbesDrugs
6KA95X0IVO	FDA SRS
14747553	PubChem: Thomson Pharma
1927-25-9	ACToR
15146514	PubChem: Thomson Pharma
hom_L	Recon
12647	PubChem
J9.199E	Nikkaji
SCHEMBL29649	SureChEMBL
9897	Brenda
345	Brenda
MTBLC15699	Metabolights
MTBLC57476	Metabolights
HMDB0000719	Human Metabolome Database
CB2854094	ChemicalBook
CB72130885	ChemicalBook
57476	Rhea
203564	Brenda
BUHGOA	CCDC
ZINC000000895146	ZINC
DTXSID5075159	EPA CompTox Dashboard
HY-W002292	MedChemExpress
The data in this table is sourced from UniChem at EBI.