Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H21BO4/c1-10-9-11(13(17)18-6)7-8-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
SMILES COC(=O)c1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C
InChI Key RDBWYSWPXDSHOE-UHFFFAOYSA-N
Molecular Formula C15H21BO4
Exact Mass 276.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RDBWYSWPXDSHOE-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/RDBWYSWPXDSHOE-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:42:55.668684
MetadataModified 2024-09-07T12:07:31.712666
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11087024 PubChem
16157782 PubChem: Thomson Pharma
17393205 eMolecules
ZINC000169748047 ZINC
CB21177149 ChemicalBook
DTXSID90454770 EPA CompTox Dashboard
SCHEMBL203450 SureChEMBL
MolPort-006-715-965 MolPort
The data in this table is sourced from UniChem at EBI.