Dataset

fast-atom bombardment mass spectrometry (FABMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H9N9O6/c1-25-10(22)4-7(16-19-13)5(11(23)26-2)9(18-21-15)6(12(24)27-3)8(4)17-20-14/h1-3H3
SMILES [N-]=[N+]=Nc1c(C(=O)OC)c(N=[N+]=[N-])c(c(c1C(=O)OC)N=[N+]=[N-])C(=O)OC
InChI Key DHWXSONNLZCPDN-UHFFFAOYSA-N
Molecular Formula C12H9N9O6
Exact Mass 375.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DHWXSONNLZCPDN-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/DHWXSONNLZCPDN-UHFFFAOYSA-N/CHMO0000563
Version
Author Danny Wagner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:48:43.902463
MetadataModified 2024-09-07T22:21:57.654768
MetadataPublished 2022-06-23
Field Value
Measurement Technique fast-atom bombardment mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
163407579 PubChem
The data in this table is sourced from UniChem at EBI.