Dataset

Anastrozole

This MassBank record with Accession MSBNK-Athens_Univ-AU275001 contains the MS2 mass spectrum of Anastrozole with the InChIkey YBBLVLTVTVSKRW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
SMILES CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N
InChI Key YBBLVLTVTVSKRW-UHFFFAOYSA-N
Molecular Formula C17H19N5
Exact Mass 293.164 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-AU275001
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:51:15.611469
MetadataModified 2025-02-08T19:11:26.268027
MetadataPublished 2019-05-30
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2187 PubChem
PD003143 ProbesDrugs
NSC-719344 clinicaltrials
2Z07MYW1AZ FDA SRS
LSM-5631 LINCS
14751420 PubChem: Thomson Pharma
120511-73-1 ACToR
PA448432 PharmGKB
Anastrozole Selleck
SCHEMBL9726 SureChEMBL
901391 eMolecules
27516220 eMolecules
CB3121715 ChemicalBook
anastrozole DailyMed
HMDB0015348 Human Metabolome Database
19102 Brenda
MCULE-3029589501 Mcule
ANASTROZOLE DailyMed
10015 BindingDB
ARIMIDEX rxnorm
ANASTROZOLE clinicaltrials
ARIMIDEX clinicaltrials
ICI D1033 clinicaltrials
ICI-D1033 clinicaltrials
ZD1033 clinicaltrials
ZD-1033 clinicaltrials
HY-14274 MedChemExpress
DTXSID9022607 EPA CompTox Dashboard
210 DrugCentral
ZINC000000000941 ZINC
5137 Guide to Pharmacology
J592.428F Nikkaji
SATHOL CCDC
ANASTROZOLE rxnorm
219759 Brenda
DB01217 DrugBank
CHEMBL1399 ChEMBL
C08159 KEGG Ligand
12014321 PubChem: Drugs of the Future
2704 ChEBI
SAM001246525 NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.