Dataset

Lovastatin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81630 contains the MS mass spectrum of Lovastatin with the InChIkey PCZOHLXUXFIOCF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3
SMILES CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
InChI Key PCZOHLXUXFIOCF-UHFFFAOYSA-N
Molecular Formula C24H36O5
Exact Mass 404.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81630
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:26.166225
MetadataModified 2024-01-11T22:27:26.315852
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1987527 eMolecules
3962 PubChem
MCULE-4325649241 Mcule
20381 Brenda
PD065512 ProbesDrugs
56378910 PubChem: Thomson Pharma
60015877 NMRShiftDB
HMDB0248085 Human Metabolome Database
CHEMBL3186637 ChEMBL
SCHEMBL1130742 SureChEMBL
The data in this table is sourced from UniChem at EBI.