Spectrum CCMSLIB00005435645 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
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
C23H34O5
390.24062418799997
O=C1OC(CCC2C(C=CC3=CCCC(OC(=O)C(C)CC)C32)C)CC(O)C1
AJLFOPYRIVGYMJ-INTXDZFKSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
0.0
0
f.lfnothias/1904_statins_standards/Mevastatin_1uL.mzML;
MS2
GNPS-LIBRARY
Dorrestein, lfnothias
positive
3.199232585210773
0.7751704419423259
391.249
[M+H]+
1.0372218205123314 ppm
4.0581200005362916E-4 Da