Dataset

high-resolution mass spectrometry (HRMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C28H29N3O4/c1-16-25(29-26(32)17-10-12-18(13-11-17)31(2)3)24-22(14-19(34-4)15-23(24)35-5)28(16)21-9-7-6-8-20(21)27(33)30-28/h6-16,25H,1-5H3,(H,29,32)(H,30,33)/t16-,25-,28+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)N(C)C)C
InChI Key ABSKKDIQFQWBSP-MELYQEHWSA-N
Molecular Formula C28H29N3O4
Exact Mass 471.548 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABSKKDIQFQWBSP-MELYQEHWSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/ABSKKDIQFQWBSP-MELYQEHWSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:07:40.961752
MetadataModified 2024-09-08T02:07:40.961757
MetadataPublished 2023-12-15
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452720 PubChem
The data in this table is sourced from UniChem at EBI.