Dataset

Simvastatin

This MassBank record with Accession MSBNK-Athens_Univ-AU112804 contains the MS2 mass spectrum of Simvastatin with the InChIkey RYMZZMVNJRMUDD-HGQWONQESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
SMILES CCC(C)(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 RYMZZMVNJRMUDD-HGQWONQESA-N
Molecular Formula C25H38O5
Exact Mass 418.272 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-Athens_Univ-AU112804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:07:19.008004
MetadataModified 2025-02-08T18:56:41.201112
MetadataPublished 2015-09-22
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.