Dataset

Imatinib; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU274202 contains the MS2 mass spectrum of Imatinib with the InChIkey KTUFNOKKBVMGRW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
SMILES CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1
InChI Key KTUFNOKKBVMGRW-UHFFFAOYSA-N
Molecular Formula C29H31N7O
Exact Mass 493.259 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-AU274202
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    BKJ8M8G5HI FDA SRS
    LSM-1023 LINCS
    152459-95-5 ACToR
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    STI 571 clinicaltrials
    STI-571 clinicaltrials
    STI571 clinicaltrials
    GLAMOX clinicaltrials
    GLEEVEC clinicaltrials
    HY-15463 MedChemExpress
    229530 Brenda
    DTXSID3037125 EPA CompTox Dashboard
    1423 DrugCentral
    5687 Guide to Pharmacology
    J1.337.143A Nikkaji
    KIZXAW CCDC
    13530 BindingDB
    IMATINIB DailyMed
    229529 Brenda
    GLEEVEC rxnorm
    IMATINIB MESYLATE rxnorm
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    The data in this table is sourced from UniChem at EBI.