Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H13O4P/c1-11-8-5-4-6-9(7-8)14(10,12-2)13-3/h4-7H,1-3H3
SMILES COc1cccc(c1)P(=O)(OC)OC
InChI Key GDSWYCZRSZXYHX-UHFFFAOYSA-N
Molecular Formula C9H13O4P
Exact Mass 216.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GDSWYCZRSZXYHX-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/GDSWYCZRSZXYHX-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:36:01.796359
MetadataModified 2024-09-07T21:07:36.255069
MetadataPublished 2022-01-10
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
57681405 PubChem
SCHEMBL12230072 SureChEMBL
ZINC000145433547 ZINC
The data in this table is sourced from UniChem at EBI.