Dataset

high-performance liquid chromatography-mass spectrometry (HPLC-MS)

dataset for high-performance liquid chromatography-mass spectrometry (HPLC-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H19NO2S/c1-3-5-11-13(18)14-15(19-4-2)17-16(20-14)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3
SMILES CCCCC(=O)c1sc(nc1OCC)c1ccccc1
InChI Key ABSYTDGSQMUQGE-UHFFFAOYSA-N
Molecular Formula C16H19NO2S
Exact Mass 289.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABSYTDGSQMUQGE-UHFFFAOYSA-N/CHMO0000796
License URL
Source https://www.chemotion-repository.net/inchikey/ABSYTDGSQMUQGE-UHFFFAOYSA-N/CHMO0000796
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:04:56.721356
MetadataModified 2024-09-08T02:04:56.721362
MetadataPublished 2023-12-12
Field Value
Measurement Technique high-performance liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452719 PubChem
The data in this table is sourced from UniChem at EBI.