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Details of Raffinose (11TMS)

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Role Analyte
nameRaffinose (11TMS)
MPIMP IDA337002
isotopomerambient
formulaC51H120O16Si11
molecular mass1,298.430
monoisotopic mass1,296.60384
InChIInChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(61-72(13,14)15)44(63-74(19,20)21)46(65-76(25,26)27)49(56-39)52-34-38-41(60-71(10,11)12)45(64-75(22,23)24)47(66-77(28,29)30)50(57-38)59-51(37-55-70(7,8)9)48(67-78(31,32)33)43(62-73(16,17)18)40(58-51)36-54-69(4,5)6/h38-50H,34-37H2,1-33H3
InChIKeyHKNREENPQGOOIO-UHFFFAOYSA-N
substructure TMS11
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,350.64
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27176f3289-5e77-4e1b-8695-fa71478f18f9%27)

Synonyms of Raffinose (11TMS)

Metabolite mapped to Raffinose (11TMS)

metabolitestereoisomerisotopomer
RaffinoseDL- ambient
RaffinoseD- ambient
2 metabolite(s)

Reference spectra of Raffinose (11TMS)

replicaentry datedetectionmethodspecies
151/22/2010 2:48:45 PM VAR5 
15/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
171/22/2010 2:54:19 PM VAR5 
211/26/2004 12:00:00 AM M[FAME4090]Standard
38/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
58/1/2001 12:00:00 AM M[2]Standard
66/12/2003 12:00:00 AM M[2]Arabidopsis thaliana
72/22/2005 12:00:00 AM M[STR] 
89/11/2005 12:00:00 AM M[FAME4090]Standard
99/11/2005 12:00:00 AM M[FAME4090]Standard
19 spectrum(a)
    of 2    
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 Hummel J.
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