Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14H,3-13H2,1-2H3
SMILES CCCCCCCCCCCCOC(=O)C(Br)C
InChI Key RXTSHIDRCASANN-UHFFFAOYSA-N
Molecular Formula C15H29BrO2
Exact Mass 321.294 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RXTSHIDRCASANN-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/RXTSHIDRCASANN-UHFFFAOYSA-N/Mass/EI.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:23:10.837101
MetadataModified 2024-09-07T13:50:01.145676
MetadataPublished 2014-08-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
527508 PubChem
SCHEMBL15796074 SureChEMBL
DTXSID30335817 EPA CompTox Dashboard
CB2511625 ChemicalBook
J38.898J Nikkaji
The data in this table is sourced from UniChem at EBI.