Dataset

Sufentanil

This MassBank record with Accession MSBNK-Waters-WA000640 contains the MS mass spectrum of Sufentanil with the InChIkey GGCSSNBKKAUURC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
SMILES COCC(C2)(CCN(CCc(c3)scc3)C2)N(C(=O)CC)c(c1)cccc1
InChI Key GGCSSNBKKAUURC-UHFFFAOYSA-N
Molecular Formula C22H30N2O2S
Exact Mass 386.203 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-WA000640
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:41:13.571733
MetadataModified 2025-02-09T20:21:43.199525
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD010068 ProbesDrugs
14804981 PubChem: Thomson Pharma
PA451527 PharmGKB
56030-54-7 ACToR
SCHEMBL26728 SureChEMBL
AFE2YW0IIZ FDA SRS
41693 PubChem
sufentanil DailyMed
HMDB0014846 Human Metabolome Database
147357 Brenda
SUFENTANIL DailyMed
94503 BindingDB
DSUVIA rxnorm
SUFENTANIL CITRATE rxnorm
SUFENTA clinicaltrials
SUFENTANIL clinicaltrials
SUFENTANIL CITRATE clinicaltrials
R 30,730 clinicaltrials
R-30730 clinicaltrials
DSUVIA clinicaltrials
DTXSID6023604 EPA CompTox Dashboard
2491 DrugCentral
ZINC000000538386 ZINC
3534 Guide to Pharmacology
J11.105H Nikkaji
MTEPAM CCDC
SUFENTANIL rxnorm
LSM-45544 LINCS
CHEMBL658 ChEMBL
DB00708 DrugBank
9316 ChEBI
C08022 KEGG Ligand
The data in this table is sourced from UniChem at EBI.