Dataset

DOM

This MassBank record with Accession MSBNK-Waters-WA002882 contains the MS mass spectrum of DOM with the InChIkey NTJQREUGJKIARY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
SMILES COc(c1)c(C)cc(OC)c(CC(C)N)1
InChI Key NTJQREUGJKIARY-UHFFFAOYSA-N
Molecular Formula C12H19NO2
Exact Mass 209.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002882
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:27.841971
MetadataModified 2024-01-11T22:47:28.020270
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
85875 PubChem
15414462 PubChem: Thomson Pharma
SCHEMBL398119 SureChEMBL
PD008805 ProbesDrugs
J14.785K Nikkaji
HMDB0245501 Human Metabolome Database
50005265 BindingDB
DTXSID50860611 EPA CompTox Dashboard
UKI9MLD5OI FDA SRS
DB01528 DrugBank
CHEMBL8600 ChEMBL
164 Guide to Pharmacology
31230164 eMolecules
The data in this table is sourced from UniChem at EBI.