Dataset

Aldosterone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100807_F638 contains the MS2 mass spectrum of Aldosterone with the InChIkey PQSUYGKTWSAVDQ-ZVIOFETBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
SMILES C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O
InChI Key PQSUYGKTWSAVDQ-ZVIOFETBSA-N
Molecular Formula C21H28O5
Exact Mass 360.194 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-Antwerp_Univ-METOX_N100807_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:37:51.657316
MetadataModified 2025-02-08T18:46:41.412822
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC27584 Metabolights
74693 Brenda
27584 Rhea
aldosterone DailyMed
CB8431679 ChemicalBook
ZINC000003833824 ZINC
2825 Brenda
5839 PubChem
60020696 NMRShiftDB
PD005950 ProbesDrugs
aldosterone Atlas
4964P6T9RB FDA SRS
85845809 PubChem: Thomson Pharma
10328-70-8 ACToR
SCHEMBL1675 SureChEMBL
14828271 PubChem: Thomson Pharma
aldstrn Recon
476175 eMolecules
ALDOSTERONE DailyMed
ALDOSTERONE rxnorm
ALDOSTERONE clinicaltrials
HY-113313 MedChemExpress
LSM-42770 LINCS
HMDB0000037 Human Metabolome Database
LMST02030026 LipidMaps
111 DrugCentral
3452 Guide to Pharmacology
2872 Guide to Pharmacology
J4.130K Nikkaji
DTXSID7022419 EPA CompTox Dashboard
SLM:000485683 SwissLipids
19214 BindingDB
DB04630 DrugBank
C01780 KEGG Ligand
CHEMBL273453 ChEMBL
27584 ChEBI
AS4 PDBe
The data in this table is sourced from UniChem at EBI.