Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H30N6.2ClH.Fe/c1-16(2)12(17(3)4)14-10-9-11-15-13(18(5)6)19(7)8;;;/h9-11H2,1-8H3;2*1H;/q;;;+2/p-2
SMILES CN(C(=NCCCN=C(N(C)C)N(C)C)N(C)C)C.Cl[Fe]Cl
InChI Key OCIRWSBUTVSUSZ-UHFFFAOYSA-L
Molecular Formula C13H30Cl2FeN6
Exact Mass 397.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OCIRWSBUTVSUSZ-UHFFFAOYSA-L/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/OCIRWSBUTVSUSZ-UHFFFAOYSA-L/CHMO0002541
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:35:02.454264
MetadataModified 2024-09-08T01:35:02.454270
MetadataPublished 2023-09-18
Related Molecule
Field Value
Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
168499160 PubChem
The data in this table is sourced from UniChem at EBI.