Dataset

electrospray ionisation mass spectrometry (ESMS)

dataset for electrospray ionisation mass spectrometry (ESMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H8O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H2,7,8,9)(H2,10,11,12)
SMILES OP(=O)(c1ccc(cc1)P(=O)(O)O)O
InChI Key JHDJUJAFXNIIIW-UHFFFAOYSA-N
Molecular Formula C6H8O6P2
Exact Mass 238.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JHDJUJAFXNIIIW-UHFFFAOYSA-N/CHMO0000482
License URL
Source https://www.chemotion-repository.net/inchikey/JHDJUJAFXNIIIW-UHFFFAOYSA-N/CHMO0000482
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:44:44.662154
MetadataModified 2024-09-07T21:18:51.219886
MetadataPublished 2022-01-20
Field Value
Measurement Technique electrospray ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DUZPOF CCDC
J409.305D Nikkaji
CB8219136 ChemicalBook
ZINC000002566335 ZINC
DTXSID30236754 EPA CompTox Dashboard
SCHEMBL2171752 SureChEMBL
880-68-2 ACToR
37034806 eMolecules
2773663 PubChem
The data in this table is sourced from UniChem at EBI.