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Details of Kestose, 1- (11TMS)

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Role Analyte
nameKestose, 1- (11TMS)
MPIMP IDA340003
isotopomerambient
formulaC51H120O16Si11
molecular mass1,298.430
monoisotopic mass1,296.60384
InChIInChI=1S/C51H120O16Si11/c1-68(2,3)53-34-39-42(61-72(13,14)15)45(64-75(22,23)24)46(65-76(25,26)27)49(57-39)60-51(48(67-78(31,32)33)44(63-74(19,20)21)41(59-51)36-55-70(7,8)9)37-52-50(38-56-71(10,11)12)47(66-77(28,29)30)43(62-73(16,17)18)40(58-50)35-54-69(4,5)6/h39-49H,34-38H2,1-33H3/t39?,40?,41?,42-,43-,44?,45+,46-,47+,48+,49-,50-,51+/m1/s1
InChIKeySWHJUYJGRRIDPF-KALYOVKASA-N
substructure TMS11
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,361.28
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%275578b0ab-daa3-4dc7-80a9-321065427188%27)

Synonyms of Kestose, 1- (11TMS)

propertyvalue
no synonym(s) available!

Metabolite mapped to Kestose, 1- (11TMS)

metabolitestereoisomerisotopomer
Kestose, 1-  ambient
1 metabolite(s)

Reference spectra of Kestose, 1- (11TMS)

replicaentry datedetectionmethodspecies
151/22/2010 2:48:45 PM VAR5 
131/22/2010 2:32:32 PM VAR5Arabidopsis thaliana
812/14/2009 4:40:00 PM VAR5Arabidopsis thaliana
21/22/2005 12:00:00 AM M[ROE] 
188/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
311/26/2004 12:00:00 AM M[FAME4090]Standard
141/22/2010 2:45:37 PM VAR5Arabidopsis thaliana
58/1/2001 12:00:00 AM M[2]Standard
171/22/2010 2:52:43 PM VAR5 
67/19/2007 11:16:30 AM VAR5Reference Substance
16 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 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Kopka J., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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