Dataset

Procaine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301729 contains the MS2 mass spectrum of Procaine with the InChIkey MFDFERRIHVXMIY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
SMILES CCN(CC)CCOC(=O)C1=CC=C(N)C=C1
InChI Key MFDFERRIHVXMIY-UHFFFAOYSA-N
Molecular Formula C13H20N2O2
Exact Mass 236.315 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301729
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 2-(diethylamino)ethyl 4-aminobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PROCAINE rxnorm
    PROCAINE clinicaltrials
    PROCAINE HYDROCHLORIDE clinicaltrials
    NEOCAINE clinicaltrials
    SP-01A clinicaltrials
    SP01A clinicaltrials
    NOVOCAIN clinicaltrials
    HY-B0546 MedChemExpress
    DTXSID7045021 EPA CompTox Dashboard
    2271 DrugCentral
    ZINC000001530757 ZINC
    4291 Guide to Pharmacology
    J4.603E Nikkaji
    BEWYIL CCDC
    64452 BindingDB
    CB34796982 ChemicalBook
    CB94796979 ChemicalBook
    PROCAINE DailyMed
    PROCAINE HYDROCHLORIDE rxnorm
    CHEMBL569 ChEMBL
    C07375 KEGG Ligand
    DB00721 DrugBank
    8430 ChEBI
    CB9296712 ChemicalBook
    10757 Brenda
    procaine DailyMed
    HMDB0014859 Human Metabolome Database
    MCULE-8861116126 Mcule
    10008928 NMRShiftDB
    15196329 PubChem: Thomson Pharma
    4914 PubChem
    PD010059 ProbesDrugs
    PA451110 PharmGKB
    LSM-5396 LINCS
    SCHEMBL3524 SureChEMBL
    59-46-1 ACToR
    4Z8Y51M438 FDA SRS
    739616 eMolecules
    The data in this table is sourced from UniChem at EBI.