Spectrum FiehnHILIC000529 for Mevastatin

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
AJLFOPYRIVGYMJ-INTXDZFKSA-N
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

Mass Spectral Metadata

NameValue
M + 0
0.9884334
positive
HCD (NCE 20-30-40%)
88
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.796915338080609
0.7483045918234936
391.2471
[M+H]+
3.8190391698264925 ppm
-0.0014941879999810226 Da