Dataset

Tramadol; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA002510 contains the MS mass spectrum of Tramadol with the InChIkey TVYLLZQTGLZFBW-ZBFHGGJFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
SMILES COc(c2)cc(cc2)C(O)(C1)C(CN(C)C)CCC1
InChI Key TVYLLZQTGLZFBW-ZBFHGGJFSA-N
Molecular Formula C16H25NO2
Exact Mass 263.189 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-WA002510
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1066 ChEMBL
    39J1LGJ30J FDA SRS
    DTXSID90858931 EPA CompTox Dashboard
    50176259 BindingDB
    ZINC000000000853 ZINC
    J28.136K Nikkaji
    2711 DrugCentral
    C07153 KEGG Ligand
    HMDB0014339 Human Metabolome Database
    0NG5TTM63P FDA SRS
    MTBLC75725 Metabolights
    75725 ChEBI
    MCULE-8198453745 Mcule
    14823839 PubChem: Thomson Pharma
    14848110 PubChem: Thomson Pharma
    33741 PubChem
    PD010176 ProbesDrugs
    SCHEMBL7464 SureChEMBL
    27203-92-5 ACToR
    PA451735 PharmGKB
    LSM-5221 LINCS
    36754789 eMolecules
    35864603 eMolecules
    The data in this table is sourced from UniChem at EBI.