Dataset

METHIONINESULFOXIMINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101501_EF88 contains the MS2 mass spectrum of METHIONINESULFOXIMINE with the InChIkey SXTAYKAGBXMACB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)
SMILES CS(=N)(=O)CCC(N)C(O)=O
InChI Key SXTAYKAGBXMACB-UHFFFAOYSA-N
Molecular Formula C5H12N2O3S
Exact Mass 180.057 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101501_EF88
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:39:36.547234
MetadataModified 2025-02-08T18:45:53.818327
MetadataPublished 2021-12-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD028658 ProbesDrugs
70093819 NMRShiftDB
1982-67-8 ACToR
16118 PubChem
CB2363545 ChemicalBook
592359 eMolecules
113346 Brenda
132258 Brenda
13170 Brenda
HMDB0029430 Human Metabolome Database
SCHEMBL187873 SureChEMBL
MCULE-7485004955 Mcule
CHEMBL1615096 ChEMBL
47833 ChEBI
25201243 PubChem
J199.798J Nikkaji
The data in this table is sourced from UniChem at EBI.