Spectrum CCMSLIB00005723851 for h_267_isomere_de_oxymetholone_m2

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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/c1-13-11-21(3)14(10-19(13)23)4-5-15-16-8-9-20(2,12-22)17(16)6-7-18(15)21/h13-15,18,22H,4-12H2,1-3H3/t13-,14?,15?,18?,20+,21+/m1/s1
C21H32O2
316.240230264
O=C1CC2CCC3C4=C(CCC3C2(C)CC1C)C(C)(CO)CC4
YKELUTWGCGLPTM-XBSXUXEWSA-N

Mass Spectral Metadata

NameValue
299.236
ESI
Commercial
qTof
316.24
1
stanozolol/base_de_donnee_mZxML/h_267.mzXML
MS2
GNPS-LIBRARY
Anis Elloumi, Mehdi Beniddir, mpanitchpakdi
positive
3.793966773655438
0.6832332768921083
[M-H2O+H]+
10.49250758591906 ppm
0.0031397359999800756 Da