Spectrum CCMSLIB00000079118 for EXEMESTANE

Rating: (*)★(*)★(*)★(*)★(*)☆

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
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
BFYIZQONLCFLEV-DAELLWKTSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
296.178
1
NCP003512_E2_F11_BD6_01_15730.mzXML
MS2
GNPS-NIH-CLINICALCOLLECTION1
negarg, Garg_Neha, Dorrestein
positive
4.379725908258179
0.6709182202959504
297.185
[M+H]+
2.0189713477872644 ppm
-6.000079999921581E-4 Da