Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C29H27NO/c1-31-29-10-6-5-9-26(29)27-19-24-18-16-22-13-11-21(12-14-22)15-17-23(27)20-28(24)30-25-7-3-2-4-8-25/h2-14,19-20,30H,15-18H2,1H3
SMILES COc1ccccc1c1cc2CCc3ccc(CCc1cc2Nc1ccccc1)cc3
InChI Key XTJRNBYCUHZGMU-UHFFFAOYSA-N
Molecular Formula C29H27NO
Exact Mass 405.531 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XTJRNBYCUHZGMU-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/XTJRNBYCUHZGMU-UHFFFAOYSA-N/CHMO0000563
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:12:51.156855
MetadataModified 2024-09-08T00:09:10.281877
MetadataPublished 2023-01-04
Field Value
Measurement Technique fast-atom bombardment mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
166451844 PubChem
The data in this table is sourced from UniChem at EBI.