Dataset

Tramadol

This MassBank record with Accession MSBNK-Waters-WA002507 contains the MS mass spectrum of Tramadol with the InChIkey TVYLLZQTGLZFBW-ZBFHGGJFSA-N.

Chemical Info

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-WA002507
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:41.256130
MetadataModified 2024-01-11T22:46:41.432805
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1066 ChEMBL
ZINC000000000853 ZINC
2711 DrugCentral
DTXSID90858931 EPA CompTox Dashboard
50176259 BindingDB
J28.136K Nikkaji
39J1LGJ30J FDA SRS
HMDB0014339 Human Metabolome Database
MTBLC75725 Metabolights
0NG5TTM63P FDA SRS
C07153 KEGG Ligand
36754789 eMolecules
35864603 eMolecules
14848110 PubChem: Thomson Pharma
33741 PubChem
SCHEMBL7464 SureChEMBL
LSM-5221 LINCS
PD010176 ProbesDrugs
27203-92-5 ACToR
14823839 PubChem: Thomson Pharma
PA451735 PharmGKB
MCULE-8198453745 Mcule
75725 ChEBI
The data in this table is sourced from UniChem at EBI.