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/C27H23N3O4/c1-15-24(29-25(31)17-10-8-16(14-28)9-11-17)23-21(12-18(33-2)13-22(23)34-3)27(15)20-7-5-4-6-19(20)26(32)30-27/h4-13,15,24H,1-3H3,(H,29,31)(H,30,32)/t15-,24-,27+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)C#N)C
InChI Key AFFMHBKGIIMTPE-SOTSVMSQSA-N
Molecular Formula C27H23N3O4
Exact Mass 453.489 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AFFMHBKGIIMTPE-SOTSVMSQSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/AFFMHBKGIIMTPE-SOTSVMSQSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:10:27.561367
MetadataModified 2024-09-08T02:10:27.561372
MetadataPublished 2023-12-15
Field Value
Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452729 PubChem
The data in this table is sourced from UniChem at EBI.