Dataset

high-resolution mass spectrometry (HRMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C27H26N2O4/c1-15-9-11-17(12-10-15)25(30)28-24-16(2)27(20-8-6-5-7-19(20)26(31)29-27)21-13-18(32-3)14-22(33-4)23(21)24/h5-14,16,24H,1-4H3,(H,28,30)(H,29,31)/t16-,24-,27+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)C)C
InChI Key FGPDWKCDLHHVMZ-JCDPWUBBSA-N
Molecular Formula C27H26N2O4
Exact Mass 442.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FGPDWKCDLHHVMZ-JCDPWUBBSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/FGPDWKCDLHHVMZ-JCDPWUBBSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:09:14.876815
MetadataModified 2024-09-08T02:09:14.876821
MetadataPublished 2023-12-15
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452734 PubChem
The data in this table is sourced from UniChem at EBI.