Spectrum CCMSLIB00005723723 for h_68_calusterone

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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/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16?,17?,18?,19-,20-,21-/m0/s1
C21H32O2
316.240230264
O=C1C=C2CC(C)C3C(CCC4(C)C3CCC4(O)C)C2(C)CC1
IVFYLRMMHVYGJH-JTRUIORZSA-N

Mass Spectral Metadata

NameValue
MS2
ESI
Commercial
qTof
316.24
1
stanozolol/base_de_donnee_mZxML/h_68.mzXML
GNPS-LIBRARY
Anis Elloumi, Mehdi Beniddir, mpanitchpakdi
positive
4.354884886378236
0.699852392123109
299.236
[M-H2O+H]+
10.49250758591906 ppm
0.0031397359999800756 Da