Dataset

Sunitinib; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000100 contains the MS2 mass spectrum of Sunitinib with the InChIkey WINHZLLDWRZWRT-ATVHPVEESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
SMILES CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
InChI Key WINHZLLDWRZWRT-ATVHPVEESA-N
Molecular Formula C22H27FN4O2
Exact Mass 398.212 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-UoB-XB000100
Version
Author
Maintainer
Language
MetadataPublished 2022-11-08
Related Molecule
  • N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5329102 PubChem
    14830382 PubChem: Thomson Pharma
    60077060 NMRShiftDB
    NSC-736511 clinicaltrials
    V99T50803M FDA SRS
    PA162372840 PharmGKB
    PD003663 ProbesDrugs
    27524016 eMolecules
    23296409 eMolecules
    SCHEMBL8081 SureChEMBL
    ZINC000003964325 ZINC
    CB9728174 ChemicalBook
    HMDB0015397 Human Metabolome Database
    sunitinib DailyMed
    40342 Brenda
    127384 Brenda
    7646 Brenda
    DB01268 DrugBank
    CHEMBL535 ChEMBL
    38940 ChEBI
    B49 PDBe
    SUNITINIB DailyMed
    4814 BindingDB
    SUNITINIB rxnorm
    SUNITINIB MALATE rxnorm
    PHA-290940AD clinicaltrials
    CB6507435 ChemicalBook
    SUNITINIB clinicaltrials
    SUNITINIB MALATE clinicaltrials
    SUTENT clinicaltrials
    SU-010398 clinicaltrials
    SU-011248 clinicaltrials
    SU-011248 L-MALATE SALT clinicaltrials
    SU-11248 clinicaltrials
    SU010398 clinicaltrials
    SU011248 clinicaltrials
    SU011248 L-MALATE SALT clinicaltrials
    HY-10255A MedChemExpress
    LSM-42800 LINCS
    2544 DrugCentral
    5713 Guide to Pharmacology
    J1.942.549E Nikkaji
    J2.036.576E Nikkaji
    SUTENT rxnorm
    25420 Brenda
    The data in this table is sourced from UniChem at EBI.