Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
SMILES COP(=O)(c1ccccc1)OC
InChI Key OXDOANYFRLHSML-UHFFFAOYSA-N
Molecular Formula C8H11O3P
Exact Mass 186.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OXDOANYFRLHSML-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/OXDOANYFRLHSML-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:37:17.919189
MetadataModified 2024-09-07T21:09:12.463266
MetadataPublished 2022-01-10
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000001691068 ZINC
DTXSID20176933 EPA CompTox Dashboard
CB3178810 ChemicalBook
75234 PubChem
2240-41-7 ACToR
1641-61-8 ACToR
SCHEMBL499887 SureChEMBL
16361877 PubChem: Thomson Pharma
J150.754K Nikkaji
20199001 NMRShiftDB
2800343 eMolecules
The data in this table is sourced from UniChem at EBI.