Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H12O4/c1-20-16(19)9-6-7-12-13(8-9)15(18)11-5-3-2-4-10(11)14(12)17/h2-8,12-13H,1H3
SMILES COC(=O)C1=CC2C(C=C1)C(=O)c1c(C2=O)cccc1
InChI Key XPUGCZXGLANSMF-UHFFFAOYSA-N
Molecular Formula C16H12O4
Exact Mass 268.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XPUGCZXGLANSMF-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/XPUGCZXGLANSMF-UHFFFAOYSA-N/Mass/EI.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:33:43.142849
MetadataModified 2024-09-07T14:07:11.976691
MetadataPublished 2015-08-20
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91827495 PubChem
The data in this table is sourced from UniChem at EBI.