Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3
SMILES COC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key REIZEQZILPXYKS-UHFFFAOYSA-N
Molecular Formula C14H19BO4
Exact Mass 262.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/REIZEQZILPXYKS-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:34:11.243194
MetadataModified 2024-09-07T11:53:37.744799
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB4345936 ChemicalBook
DTXSID10378500 EPA CompTox Dashboard
ZINC000169743471 ZINC
171364-80-0 ACToR
524160 eMolecules
14798999 PubChem: Thomson Pharma
TASBUL CCDC
J845.354C Nikkaji
SCHEMBL105161 SureChEMBL
2773500 PubChem
The data in this table is sourced from UniChem at EBI.