Dataset

Carbocysteine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80902 contains the MS mass spectrum of Carbocysteine with the InChIkey GBFLZEXEOZUWRN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
SMILES C(C(C(=O)O)N)SCC(=O)O
InChI Key GBFLZEXEOZUWRN-UHFFFAOYSA-N
Molecular Formula C5H9NO4S
Exact Mass 179.025 g/mol

Data and Resources

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-BML80902
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:53.029824
MetadataModified 2024-01-11T22:25:53.189209
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1987394 eMolecules
CHEMBL1447969 ChEMBL
11139-64-3 ACToR
15195145 PubChem: Thomson Pharma
2387-59-9 ACToR
1080 PubChem
PD056661 ProbesDrugs
638-23-3 ACToR
SCHEMBL69149 SureChEMBL
J1.028.091E Nikkaji
15794764 PubChem
4252LRM78Q FDA SRS
HY-D0205 MedChemExpress
MCULE-1997609241 Mcule
DTXSID9022738 EPA CompTox Dashboard
HMDB0029415 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.