Dataset

high resolution fast-atom bombardment mass spectrometry (HRFABMS)

dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C42H38N6O2/c1-41(2,3)45-39-35(43-33-15-9-11-19-47(33)39)27-21-26(25-17-18-31-32(24-25)38(50)30-14-8-7-13-29(30)37(31)49)22-28(23-27)36-40(46-42(4,5)6)48-20-12-10-16-34(48)44-36/h7-24,45-46H,1-6H3
SMILES O=C1c2ccc(cc2C(=O)c2c1cccc2)c1cc(cc(c1)c1nc2n(c1NC(C)(C)C)cccc2)c1nc2n(c1NC(C)(C)C)cccc2
InChI Key OLDGIZKIAOEWNB-UHFFFAOYSA-N
Molecular Formula C42H38N6O2
Exact Mass 658.790 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OLDGIZKIAOEWNB-UHFFFAOYSA-N/CHMO0000726
License URL
Source https://www.chemotion-repository.net/inchikey/OLDGIZKIAOEWNB-UHFFFAOYSA-N/CHMO0000726
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:42:20.117640
MetadataModified 2024-09-08T01:42:20.117645
MetadataPublished 2023-10-02
Field Value
Measurement Technique high resolution fast-atom bombardment mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
168665438 PubChem
The data in this table is sourced from UniChem at EBI.