Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H15O2P/c16-15(17)11-12-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
SMILES OC(=O)CCP(c1ccccc1)c1ccccc1
InChI Key OTSIFUHGOBFOTH-UHFFFAOYSA-N
Molecular Formula C15H15O2P
Exact Mass 258.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OTSIFUHGOBFOTH-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/OTSIFUHGOBFOTH-UHFFFAOYSA-N/Mass/EI.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:28:42.989634
MetadataModified 2024-09-07T13:59:38.666247
MetadataPublished 2015-05-11
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3709176 PubChem
MCULE-1680052976 Mcule
J2.480.966H Nikkaji
RAHNAS CCDC
1964693 eMolecules
16059628 PubChem: Thomson Pharma
SCHEMBL1095111 SureChEMBL
DTXSID40395341 EPA CompTox Dashboard
ZINC000003099499 ZINC
The data in this table is sourced from UniChem at EBI.