Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/2C9H13.Fe/c2*1-6-5-7(2)9(4)8(6)3;/h2*5H,1-4H3;/q2*-1;+2
SMILES Cc1[cH-]c(c(c1C)C)C.Cc1[cH-]c(c(c1C)C)C.[Fe+2]
InChI Key VSUTUDRPAASKEB-UHFFFAOYSA-N
Molecular Formula C18H26Fe
Exact Mass 298.244 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VSUTUDRPAASKEB-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/VSUTUDRPAASKEB-UHFFFAOYSA-N/CHMO0000485
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-04-13
Related Molecule
  • iron(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15523032 PubChem
    15819717 PubChem
    50919677 PubChem
    5148332 PubChem
    The data in this table is sourced from UniChem at EBI.