Dataset

Glutathione (not validated)

This MassBank record with Accession MSBNK-RIKEN-PR310781 contains the MS2 mass spectrum of Glutathione (not validated) with the InChIkey RWSXRVCMGQZWBV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)
SMILES O=C(O)CNC(=O)C(NC(=O)CCC(N)C(=O)O)CS
InChI Key RWSXRVCMGQZWBV-UHFFFAOYSA-N
Molecular Formula C10H17N3O6S
Exact Mass 307.326 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-RIKEN-PR310781
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:44.534140
MetadataModified 2024-01-11T20:42:44.684926
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL9168 SureChEMBL
GLUTAS CCDC
MCULE-3140368073 Mcule
J1.025.254G Nikkaji
745 PubChem
60072620 PubChem
14849844 PubChem: Thomson Pharma
PD055355 ProbesDrugs
70-18-8 ACToR
70111331 NMRShiftDB
234036 Brenda
177535 ChEBI
HMDB0062697 Human Metabolome Database
CHEMBL100476 ChEMBL
747254 eMolecules
The data in this table is sourced from UniChem at EBI.