Dataset

Lapatinib; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU252503 contains the MS2 mass spectrum of Lapatinib with the InChIkey BCFGMOOMADDAQU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
SMILES CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1
InChI Key BCFGMOOMADDAQU-UHFFFAOYSA-N
Molecular Formula C29H26ClFN4O4S
Exact Mass 580.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU252503
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Maintainer
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MetadataPublished 2019-04-08
Related Molecule
  • N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LAPATINIB DITOSYLATE rxnorm
    LAPATINIB DailyMed
    LAPATINIB rxnorm
    LAPATINIB DITOSYLATE MONOHYDRATE clinicaltrials
    TYKERB clinicaltrials
    TYVERB clinicaltrials
    GSK-572016 clinicaltrials
    LAPATINIB clinicaltrials
    LAPATINIB DITOSYLATE clinicaltrials
    HY-50898 MedChemExpress
    GW-572016 clinicaltrials
    GW572016 clinicaltrials
    DTXSID7046675 EPA CompTox Dashboard
    1548 DrugCentral
    ZINC000001550477 ZINC
    5692 Guide to Pharmacology
    J1.859.987B Nikkaji
    OVAYOB CCDC
    5445 BindingDB
    TYKERB rxnorm
    DB01259 DrugBank
    CHEMBL554 ChEMBL
    FMM PDBe
    6757269 eMolecules
    PD003505 ProbesDrugs
    lapatinib Atlas
    0VUA21238F FDA SRS
    LSM-1051 LINCS
    14911387 PubChem: Thomson Pharma
    PA152241907 PharmGKB
    lapatinib Selleck
    231277-92-2 ACToR
    CB8855402 ChemicalBook
    lapatinib DailyMed
    213440 Brenda
    HMDB0015388 Human Metabolome Database
    49603 ChEBI
    208908 PubChem
    SCHEMBL8100 SureChEMBL
    The data in this table is sourced from UniChem at EBI.