Dataset

L-Thiocitrulline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81637 contains the MS mass spectrum of L-Thiocitrulline with the InChIkey BKGWACHYAMTLAF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H13N3O2S/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
SMILES C(CC(C(=O)O)N)CNC(=S)N
InChI Key BKGWACHYAMTLAF-UHFFFAOYSA-N
Molecular Formula C6H13N3O2S
Exact Mass 191.073 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-BML81637
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:21.039524
MetadataModified 2024-01-11T22:26:21.214777
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL3276661 SureChEMBL
3353976 PubChem
PD034254 ProbesDrugs
139389 ChEBI
CHEMBL1608298 ChEMBL
The data in this table is sourced from UniChem at EBI.