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Details of Maltotriitol (12TMS)

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Role Analyte
nameMaltotriitol (12TMS)
MPIMP IDA355004
isotopomerambient
formulaC54H130O16Si12
molecular mass1,372.627
monoisotopic mass1,370.65901
InChIInChI=1S/C54H130O16Si12/c1-71(2,3)55-37-41-45(61-54-52(70-82(34,35)36)50(68-80(28,29)30)47(65-77(19,20)21)42(60-54)38-56-72(4,5)6)49(67-79(25,26)27)51(69-81(31,32)33)53(59-41)62-46(43(63-75(13,14)15)39-57-73(7,8)9)48(66-78(22,23)24)44(64-76(16,17)18)40-58-74(10,11)12/h41-54H,37-40H2,1-36H3/t41?,42-,43-,44+,45-,46?,47-,48-,49?,50+,51?,52-,53?,54?/m0/s1
InChIKeyARPOAHTZGMXYRP-IGNXPUKASA-N
substructure TMS12
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,615.17
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%274e60c551-0b11-410e-9fd8-a97d40674def%27)

Synonyms of Maltotriitol (12TMS)

propertyvalue
no synonym(s) available!

Metabolite mapped to Maltotriitol (12TMS)

metabolitestereoisomerisotopomer
MaltotriitolDL- ambient
MaltotriitolL- ambient
2 metabolite(s)

Reference spectra of Maltotriitol (12TMS)

replicaentry datedetectionmethodspecies
111/26/2004 12:00:00 AM M[FAME4090]Standard
63/30/2011 4:52:37 PM Fiehn_GC_2010 
47/19/2007 11:16:30 AM MDN35Reference Substance
56/10/2009 1:54:07 PM VAR5Reference Substance
4 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 Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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