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Details of Estrone (1MEOX) (1TMS) BP

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Role Analyte
nameEstrone (1MEOX) (1TMS) BP
MPIMP IDA273015
isotopomerambient
formulaC22H33NO2Si
molecular mass371.589
monoisotopic mass371.22806
InChIInChI=1S/C22H33NO2Si/c1-22-13-12-18-17-9-7-16(25-26(3,4)5)14-15(17)6-8-19(18)20(22)10-11-21(22)23-24-2/h7,9,14,18-20H,6,8,10-13H2,1-5H3/b23-21-/t18-,19-,20+,22+/m1/s1
InChIKeyGIUGKXYPAYLRPS-AFLCNQENSA-N
substructure TMS1
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,739.99
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27f1906ae4-a931-466a-8402-be489bca5d99%27)

Synonyms of Estrone (1MEOX) (1TMS) BP

propertyvalue
ChemSpider ID24606577
PubChem CID20845854
synonymB000343
synonymEstrone (1MEOX) (1TMS) BP
4 synonym(s)

Metabolite mapped to Estrone (1MEOX) (1TMS) BP

metabolitestereoisomerisotopomer
Estrone  ambient
1 metabolite(s)

Reference spectra of Estrone (1MEOX) (1TMS) BP

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
33/30/2011 4:52:37 PM Fiehn_GC_2010 
3 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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