Dataset

Ketamine

This MassBank record with Accession MSBNK-Waters-WA001437 contains the MS mass spectrum of Ketamine with the InChIkey YQEZLKZALYSWHR-CYBMUJFWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1
SMILES CNC(C2)(C(=O)CCC2)c(c1)c(Cl)ccc1
InChI Key YQEZLKZALYSWHR-CYBMUJFWSA-N
Molecular Formula C13H16ClNO
Exact Mass 237.092 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-WA001437
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:38:12.116100
MetadataModified 2025-02-09T20:24:37.386719
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000036294079 ZINC
33643-49-1 ACToR
SCHEMBL16104 SureChEMBL
RKE PDBe
CB91270269 ChemicalBook
PD046165 ProbesDrugs
644025 PubChem
15391275 PubChem: Thomson Pharma
9153 Guide to Pharmacology
DTXSID2048747 EPA CompTox Dashboard
Y2RI13H7VW FDA SRS
MCULE-6886868694 Mcule
J238.629A Nikkaji
XURCES CCDC
580604 ChEBI
CHEMBL467505 ChEMBL
The data in this table is sourced from UniChem at EBI.