Dataset

Lovastatin; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU221204 contains the MS2 mass spectrum of Lovastatin with the InChIkey PCZOHLXUXFIOCF-BXMDZJJMSA-N.

Chemical Information

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/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
InChI Key PCZOHLXUXFIOCF-BXMDZJJMSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU221204
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Maintainer
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MetadataPublished 2016-02-22
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL503 ChEMBL
    12012664 PubChem: Drugs of the Future
    C07074 KEGG Ligand
    803 PDBe
    SAM002589963 NIH Clinical Collection
    2739 Guide to Pharmacology
    J22.276C Nikkaji
    CEKBEZ CCDC
    34168 BindingDB
    LOVASTATIN DailyMed
    MEVACOR rxnorm
    ALTOPREV rxnorm
    LOVASTATIN rxnorm
    MEVACOR clinicaltrials
    40303 Rhea
    MK-803 clinicaltrials
    LOVASTATIN clinicaltrials
    ALTOPREV clinicaltrials
    HY-N0504 MedChemExpress
    MCULE-7087866108 Mcule
    DTXSID5020784 EPA CompTox Dashboard
    1612 DrugCentral
    DB00227 DrugBank
    PA450272 PharmGKB
    60027498 NMRShiftDB
    PD003114 ProbesDrugs
    9LHU78OQFD FDA SRS
    LSM-2189 LINCS
    75330-75-5 ACToR
    71949-96-7 ACToR
    lovastatin-mevacor Selleck
    14879393 PubChem: Thomson Pharma
    14806053 PubChem: Thomson Pharma
    53232 PubChem
    591670 eMolecules
    30154567 eMolecules
    ZINC000003812841 ZINC
    MTBLC40303 Metabolights
    17608 Brenda
    HMDB0014372 Human Metabolome Database
    111182 Brenda
    lovastatin DailyMed
    MCULE-4740518260 Mcule
    40303 ChEBI
    SCHEMBL3136 SureChEMBL
    The data in this table is sourced from UniChem at EBI.