Debug Info

object
{15}
_id
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8Ws7EinUS0H
spectrumID
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8Ws7EinUS0H
cost
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1
specType
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131072
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dbLocation
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WMSR3X:27754:1
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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spectralOutlier
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compound
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lastUpdated
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1735074081058
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false

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3,17a-Dihydroxy-estra-1,3,5(10)-triene
SpectraBase Compound ID Cqv75wDRUIC
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
InChIKey VOXZDWNPVJITMN-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ws7EinUS0H
Name 17.beta.-estradiol
Comments MONAID: JP003433
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
InChIKey VOXZDWNPVJITMN-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 272.388 g/mol
SMILES Oc1cc2c(C3C(C4C(C(CC4)O)(CC3)C)CC2)cc1
SPLASH splash10-00di-1980000000-3d31fe2a51ebc5f40fa0
Source of Spectrum SRH-2022-3433-0
Wiley ID 1825715
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