Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C31H26N2O4/c1-36-21-17-24-26(25(18-21)37-2)28(32-29(34)20-13-7-4-8-14-20)27(19-11-5-3-6-12-19)31(24)23-16-10-9-15-22(23)30(35)33-31/h3-18,27-28H,1-2H3,(H,32,34)(H,33,35)/t27-,28+,31+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)c1ccccc1
InChI Key WSCUALFGPUXSPJ-XHWIWGEHSA-N
Molecular Formula C31H26N2O4
Exact Mass 490.549 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WSCUALFGPUXSPJ-XHWIWGEHSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/WSCUALFGPUXSPJ-XHWIWGEHSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:10:34.189781
MetadataModified 2024-09-08T02:10:34.189786
MetadataPublished 2023-12-15
Field Value
Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452736 PubChem
The data in this table is sourced from UniChem at EBI.