Dataset

Tolterodine; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01108702 contains the MS2 mass spectrum of Tolterodine with the InChIkey OOGJQPCLVADCPB-HXUWFJFHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
SMILES CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C
InChI Key OOGJQPCLVADCPB-HXUWFJFHSA-N
Molecular Formula C22H31NO
Exact Mass 325.241 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-EQ01108702
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MetadataPublished 2024-06-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    443879 PubChem
    PD009584 ProbesDrugs
    DB01036 DrugBank
    WHE7A56U7K FDA SRS
    14777260 PubChem: Thomson Pharma
    124937-51-5 ACToR
    14801661 PubChem: Thomson Pharma
    LSM-5645 LINCS
    902595 eMolecules
    29542663 eMolecules
    tolterodine DailyMed
    169000 Brenda
    HMDB0015170 Human Metabolome Database
    SCHEMBL3064 SureChEMBL
    CHEMBL1382 ChEMBL
    9622 ChEBI
    TOLTERODINE DailyMed
    TOLTERODINE rxnorm
    TOLTERODINE TARTRATE rxnorm
    DETROL rxnorm
    DETROL clinicaltrials
    DETRUSITOL clinicaltrials
    TOLTERODINE clinicaltrials
    TOLTERODINE L-TARTRATE clinicaltrials
    TOLTERODINE TARTRATE clinicaltrials
    HY-A0024 MedChemExpress
    DTXSID3023687 EPA CompTox Dashboard
    2705 DrugCentral
    ZINC000000968336 ZINC
    360 Guide to Pharmacology
    J561.859B Nikkaji
    50165008 BindingDB
    CB4128443 ChemicalBook
    CB1128442 ChemicalBook
    The data in this table is sourced from UniChem at EBI.