Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/2C13H21.Fe/c2*1-12(2,3)10-7-8-11(9-10)13(4,5)6;/h2*7-9H,1-6H3;/q2*-1;+2
SMILES CC(c1ccc([cH-]1)C(C)(C)C)(C)C.CC(c1ccc([cH-]1)C(C)(C)C)(C)C.[Fe+2]
InChI Key GDNSZQMZEWNQFG-UHFFFAOYSA-N
Molecular Formula C26H42Fe
Exact Mass 410.457 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GDNSZQMZEWNQFG-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/GDNSZQMZEWNQFG-UHFFFAOYSA-N/CHMO0000485
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-04-13
Related Molecule
  • 1,4-ditert-butylcyclopenta-1,3-diene;iron(2+)
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    129682780 PubChem
    158223655 PubChem
    The data in this table is sourced from UniChem at EBI.