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Details of Estrone (1TMS)

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Role Analyte
nameEstrone (1TMS)
MPIMP IDA269012
isotopomerambient
formulaC21H30O2Si
molecular mass342.548
monoisotopic mass342.20151
InChIInChI=1S/C21H30O2Si/c1-21-12-11-17-16-8-6-15(23-24(2,3)4)13-14(16)5-7-18(17)19(21)9-10-20(21)22/h6,8,13,17-19H,5,7,9-12H2,1-4H3/t17-,18-,19+,21+/m1/s1
InChIKeyFRJOUBWXHQBBER-BNDYYXHWSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,698.19
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27bb21739f-7334-46a7-a4a3-4f410c18577f%27)

Synonyms of Estrone (1TMS)

propertyvalue
ChemSpider ID20035751
PubChem CID14409785
synonymB000345
synonymEstrone (1TMS)
4 synonym(s)

Metabolite mapped to Estrone (1TMS)

metabolitestereoisomerisotopomer
Estrone  ambient
1 metabolite(s)

Reference spectra of Estrone (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
2 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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