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/C25H22N2O3/c1-15-22(26-24(28)16-8-4-3-5-9-16)20-14-17(30-2)12-13-21(20)27-23(15)18-10-6-7-11-19(18)25(27)29/h3-15,22-23H,1-2H3,(H,26,28)/t15-,22-,23+/m1/s1
SMILES COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1)[C@H]([C@@H]1N2C(=O)c2c1cccc2)C
InChI Key NWCOERFKLVQQOI-IEKZBVHVSA-N
Molecular Formula C25H22N2O3
Exact Mass 398.454 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NWCOERFKLVQQOI-IEKZBVHVSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/NWCOERFKLVQQOI-IEKZBVHVSA-N/CHMO0000473
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:59:54.444333
MetadataModified 2024-09-08T00:59:54.444338
MetadataPublished 2023-05-22
Field Value
Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
168059112 PubChem
The data in this table is sourced from UniChem at EBI.