Dataset

fast-atom bombardment mass spectrometry (FABMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C21H23N5O2/c1-27-16-10-14-15(11-17(16)28-2)20(23-13-6-4-3-5-7-13)25-21-19(14)24-18-12-22-8-9-26(18)21/h8-13H,3-7H2,1-2H3,(H,23,25)
SMILES COc1cc2c(NC3CCCCC3)nc3c(c2cc1OC)nc1n3ccnc1
InChI Key OQALJCKHBAHWFS-UHFFFAOYSA-N
Molecular Formula C21H23N5O2
Exact Mass 377.440 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OQALJCKHBAHWFS-UHFFFAOYSA-N/CHMO0000563.3
License URL
Source https://www.chemotion-repository.net/inchikey/OQALJCKHBAHWFS-UHFFFAOYSA-N/CHMO0000563.3
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:17:05.271596
MetadataModified 2024-09-08T00:14:36.048145
MetadataPublished 2023-01-23
Field Value
Measurement Technique fast-atom bombardment mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
166451847 PubChem
The data in this table is sourced from UniChem at EBI.