Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C24H22N2O4S/c1-13-21(25-23(28)19-9-6-10-31-19)20-17(11-14(29-2)12-18(20)30-3)24(13)16-8-5-4-7-15(16)22(27)26-24/h4-13,21H,1-3H3,(H,25,28)(H,26,27)/t13-,21-,24+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1cccs1)C
InChI Key GDLZIOCMGMIXMQ-KCSLVJNWSA-N
Molecular Formula C24H22N2O4S
Exact Mass 434.507 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GDLZIOCMGMIXMQ-KCSLVJNWSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/GDLZIOCMGMIXMQ-KCSLVJNWSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:08:01.876400
MetadataModified 2024-09-08T02:08:01.876424
MetadataPublished 2023-12-15
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452723 PubChem
The data in this table is sourced from UniChem at EBI.