Dataset

Xylazine

This MassBank record with Accession MSBNK-Eawag-EQ01058402 contains the MS2 mass spectrum of Xylazine with the InChIkey BPICBUSOMSTKRF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
SMILES CC1=C(C(=CC=C1)C)NC2=NCCCS2
InChI Key BPICBUSOMSTKRF-UHFFFAOYSA-N
Molecular Formula C12H16N2S
Exact Mass 220.103 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01058402
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:55:29.515863
MetadataModified 2025-02-09T09:55:29.692217
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL297362 ChEMBL
523 Guide to Pharmacology
DTXSID3040643 EPA CompTox Dashboard
ROMPUN rxnorm
XYLAZINE HYDROCHLORIDE rxnorm
XYLAZINE rxnorm
50027069 BindingDB
92386 ChEBI
HMDB0259938 Human Metabolome Database
J8.925G Nikkaji
DMPHTZ CCDC
ZINC000000002248 ZINC
50225286 BindingDB
14797946 PubChem: Thomson Pharma
5707 PubChem
PD001454 ProbesDrugs
7361-61-7 ACToR
LSM-2477 LINCS
SCHEMBL15487 SureChEMBL
2KFG9TP5V8 FDA SRS
596238 eMolecules
DB11477 DrugBank
CB8130978 ChemicalBook
MCULE-5365381772 Mcule
The data in this table is sourced from UniChem at EBI.