Dataset

Serine O-sulfate

This MassBank record with Accession MSBNK-Keio_Univ-KO001139 contains the MS2 mass spectrum of Serine O-sulfate with the InChIkey LFZGUGJDVUUGLK-REOHCLBHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
SMILES N[C@@H](COS(O)(=O)=O)C(O)=O
InChI Key LFZGUGJDVUUGLK-REOHCLBHSA-N
Molecular Formula C3H7NO6S
Exact Mass 184.999 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO001139
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T17:26:13.303208
MetadataModified 2025-02-09T14:27:25.857916
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID80211652 EPA CompTox Dashboard
17663 BindingDB
J367.006F Nikkaji
81K4VO7FNP FDA SRS
C02703 KEGG Ligand
CHEMBL28885 ChEMBL
15829 ChEBI
OSE PDBe
SCHEMBL4314030 SureChEMBL
4537 Brenda
95014 Brenda
44818 Brenda
8126 Brenda
DB03497 DrugBank
ZINC000004095907 ZINC
MTBLC15829 Metabolights
30298 Brenda
44277954 PubChem
5438-01-7 ACToR
626-69-7 ACToR
164701 PubChem
15195238 PubChem: Thomson Pharma
80004480 NMRShiftDB
PD059729 ProbesDrugs
The data in this table is sourced from UniChem at EBI.