Spectrum CCMSLIB00005435669 for Mevastatin

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
C23H34O5
390.24062418799997
O=C1OC(CCC2C(C=CC3=CCCC(OC(=O)C(C)CC)C32)C)CC(O)C1
InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
AJLFOPYRIVGYMJ-INTXDZFKSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
0.0
1
f.lfnothias/1904_statins_standards/Mevastatin_1uL.mzML;
MS2
GNPS-LIBRARY
Dorrestein, lfnothias
positive
3.1171587925810353
0.6798649733247109
798.517
[2M+NH4]+
3.5420360492153065 ppm
-0.002828375999911259 Da