Spectrum CCMSLIB00005723713 for h_116_1_androstenedione

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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/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
C19H26O2
286.193280072
O=C1C=CC2(C)C(C1)CCC3C4CCC(=O)C4(C)CCC32
WJIQCDPCDVWDDE-WZNAKSSCSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
286.193
1
stanozolol/base_de_donnee_mZxML/h_116.mzXML
MS2
GNPS-LIBRARY
Anis Elloumi, Mehdi Beniddir, mpanitchpakdi
positive
3.797403650294662
0.7482312505034285
573.394
[2M+H]+
0.9245719347973503 ppm
-5.301439999811919E-4 Da