Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3
SMILES COC(=O)c1ccc(cc1)P(=O)(OC)OC
InChI Key QJGWDEWFFPKFQG-UHFFFAOYSA-N
Molecular Formula C10H13O5P
Exact Mass 244.181 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QJGWDEWFFPKFQG-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/QJGWDEWFFPKFQG-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:31:38.361285
MetadataModified 2024-09-07T21:02:03.016675
MetadataPublished 2022-01-10
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL11581923 SureChEMBL
23415639 PubChem
J3.505.908C Nikkaji
The data in this table is sourced from UniChem at EBI.