Debug Info

object
{15}
_id
:
JJXdTF30V60
spectrumID
:
JJXdTF30V60
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WDD1X:25683:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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compound
{10}
lastUpdated
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1735074081058
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false

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Mestanolone
SpectraBase Compound ID J7FwFtKEQne
InChI InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16?,17-,18-,19-,20-/m0/s1
InChIKey WYZDXEKUWRCKOB-AJFUWHIOSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJXdTF30V60
Name Mestanolone
CAS Registry Number 521-11-9
Classification Pharmaceutical steroid
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16?,17-,18-,19-,20-/m0/s1
InChIKey WYZDXEKUWRCKOB-AJFUWHIOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 304.474 g/mol
Nominal Mass 304 u
Quality 1000
Retention Index 2460
SMILES O[C@@]1([C@@]2([C@]([C@]3(C([C@@]4([C@@](CC3)(CC(CC4)=O)[H])C)CC2)[H])(CC1)[H])C)C
SPLASH splash10-007o-9830000000-576de9ba6d85c35dbfb8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms ((5a),17b)-17-Hydroxy-17-methylandrostan-3-one
Technique GC/MS
Wiley ID DD2024_025683
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