Dataset

DL-Methionine sulfoxide

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81130 contains the MS mass spectrum of DL-Methionine sulfoxide with the InChIkey QEFRNWWLZKMPFJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
SMILES	CS(=O)CCC(C(=O)O)N
InChI Key	QEFRNWWLZKMPFJ-UHFFFAOYSA-N
Molecular Formula	C5H11NO3S
Exact Mass	165.046 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-BML81130
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:22:45.575817
MetadataModified	2024-01-11T22:22:45.723451
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J65.857J	Nikkaji
MCULE-2810141962	Mcule
SCHEMBL995666	SureChEMBL
HMDB0250776	Human Metabolome Database
25244659	PubChem
847	PubChem
60022124	NMRShiftDB
PD099500	ProbesDrugs
16081282	PubChem: Thomson Pharma
4241-59-2	ACToR
454-41-1	ACToR
62697-73-8	ACToR
56964	Brenda
MTBLC49033	Metabolights
93282	Brenda
CB3188590	ChemicalBook
CB5188589	ChemicalBook
223086	Brenda
CB2188588	ChemicalBook
O74B4F6OYL	FDA SRS
HY-W010104A	MedChemExpress
49033	ChEBI
526505	eMolecules
The data in this table is sourced from UniChem at EBI.