Dataset

DOM; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002885 contains the MS mass spectrum of DOM with the InChIkey NTJQREUGJKIARY-UHFFFAOYSA-N.

Chemical Information

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-WA002885
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL8600 ChEMBL
    DB01528 DrugBank
    164 Guide to Pharmacology
    J14.785K Nikkaji
    DTXSID50860611 EPA CompTox Dashboard
    UKI9MLD5OI FDA SRS
    50005265 BindingDB
    HMDB0245501 Human Metabolome Database
    85875 PubChem
    15414462 PubChem: Thomson Pharma
    SCHEMBL398119 SureChEMBL
    PD008805 ProbesDrugs
    31230164 eMolecules
    The data in this table is sourced from UniChem at EBI.