Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H11ClN2O4/c1-6-3-8(13(15)16)9(17-2)4-7(6)12-10(14)5-11/h3-4H,5H2,1-2H3,(H,12,14)
SMILES ClCC(=O)Nc1cc(OC)c(cc1C)[N+](=O)[O-]
InChI Key DVKLSAODRDRXGI-UHFFFAOYSA-N
Molecular Formula C10H11ClN2O4
Exact Mass 258.658 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/DVKLSAODRDRXGI-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:16:52.170559
MetadataModified 2024-09-07T13:40:11.046296
MetadataPublished 2014-07-30
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15225263 eMolecules
MCULE-6790859415 Mcule
4658349 PubChem
ZINC000005516885 ZINC
The data in this table is sourced from UniChem at EBI.