Dataset

Sufentanil; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA000642 contains the MS mass spectrum of Sufentanil with the InChIkey GGCSSNBKKAUURC-UHFFFAOYSA-N.

Chemical Information

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-WA000642
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
    • 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.