Spectrum FiehnHILIC001928 for Exemestane

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
BFYIZQONLCFLEV-DAELLWKTSA-N
C20H24O2
296.177630008
O=C1C=CC2(C(=C1)C(=C)CC3C2CCC4(C(=O)CCC34)C)C
InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1

Mass Spectral Metadata

NameValue
0.9887
M + 0
15 eV
positive
65
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
3.7520840016653914
0.7068377511372153
297.1871
[M+H]+
5.047298486348464 ppm
0.0014999919999922895 Da