Dataset

Sunitinib

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

Chemical Info

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
MetadataCreated 2024-01-11T22:09:21.937930
MetadataModified 2025-02-09T19:56:05.201601
MetadataPublished 2022-11-08
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.