Dataset

electrospray ionisation mass spectrometry (ESMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H12O6P2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H2,13,14,15)(H2,16,17,18)
SMILES OP(=O)(c1ccc(cc1)c1ccc(cc1)P(=O)(O)O)O
InChI Key QWSZMKCGMDROKE-UHFFFAOYSA-N
Molecular Formula C12H12O6P2
Exact Mass 314.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QWSZMKCGMDROKE-UHFFFAOYSA-N/CHMO0000482
License URL
Source https://www.chemotion-repository.net/inchikey/QWSZMKCGMDROKE-UHFFFAOYSA-N/CHMO0000482
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:27:32.608459
MetadataModified 2024-09-07T20:56:58.066913
MetadataPublished 2022-01-07
Field Value
Measurement Technique electrospray ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID10299327 EPA CompTox Dashboard
ZINC000001870275 ZINC
SCHEMBL4953765 SureChEMBL
4329627 eMolecules
13817-79-3 ACToR
J1.225.695G Nikkaji
RIGNUR CCDC
279154 PubChem
The data in this table is sourced from UniChem at EBI.