Dataset

Praziquantel; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00345 contains the MS2 mass spectrum of Praziquantel with the InChIkey FSVJFNAIGNNGKK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2
SMILES C(C4)CCC(C4)C(=O)N(C1)CC(c32)N(CCc(cccc3)2)C(=O)1
InChI Key FSVJFNAIGNNGKK-UHFFFAOYSA-N
Molecular Formula C19H24N2O2
Exact Mass 312.184 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-Fiocruz-FIO00345
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-1638759858 Mcule
    SCHEMBL16019896 SureChEMBL
    20109353 NMRShiftDB
    SCHEMBL44153 SureChEMBL
    CB8178956 ChemicalBook
    13867 Brenda
    PA164764583 PharmGKB
    praziquantel DailyMed
    HMDB0015191 Human Metabolome Database
    15272465 PubChem: Thomson Pharma
    PD001793 ProbesDrugs
    4891 PubChem
    55268-74-1 ACToR
    135526-78-2 ACToR
    Praziquantel Atlas
    LSM-1387 LINCS
    Praziquantel(Biltricide) Selleck
    57452-31-0 ACToR
    511675 eMolecules
    CHEMBL976 ChEMBL
    DB01058 DrugBank
    SAM002264632 NIH Clinical Collection
    C07367 KEGG Ligand
    12015327 PubChem: Drugs of the Future
    PRAZIQUANTEL DailyMed
    74574 BindingDB
    DRONCIT rxnorm
    PRAZIQUANTEL rxnorm
    BILTRICIDE clinicaltrials
    CYSTICIDE clinicaltrials
    PRAZIQUANTEL clinicaltrials
    EMBAY 8440 clinicaltrials
    EMBAY-8440 clinicaltrials
    HY-B0244 MedChemExpress
    6490C9U457 FDA SRS
    91583 ChEBI
    DTXSID9021182 EPA CompTox Dashboard
    2241 DrugCentral
    J2.787A Nikkaji
    J457.026J Nikkaji
    BILTRICIDE rxnorm
    The data in this table is sourced from UniChem at EBI.