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Details of Alanylalanine (3TMS)

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Role Analyte
nameAlanylalanine (3TMS)
MPIMP IDA184036
isotopomerambient
formulaC15H36N2O3Si3
molecular mass376.715
monoisotopic mass376.20337
InChIInChI=1S/C15H36N2O3Si3/c1-12(15(19)20-23(9,10)11)16-14(18)13(2)17(21(3,4)5)22(6,7)8/h12-13H,1-11H3,(H,16,18)
InChIKeySGPBIUTUIITLLH-UHFFFAOYSA-N
substructure TMS 
substructure TBS 
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)1,840.13
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2719445cef-b3e6-4c1c-8f84-953d6b0b0644%27)

Synonyms of Alanylalanine (3TMS)

propertyvalue
External IdentificationMassbank_2012
synonymAlanylalanine (3TMS)
synonymUnknown#sst-cgl-078
3 synonym(s)

Metabolite mapped to Alanylalanine (3TMS)

metabolitestereoisomerisotopomer
AlanylalanineL-, L- ambient
1 metabolite(s)

Reference spectra of Alanylalanine (3TMS)

replicaentry datedetectionmethodspecies
23/30/2011 4:52:37 PM Fiehn_GC_2010 
111/3/2010 4:23:28 PM Schomburg_GC_2010 
38/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
48/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
4 spectrum(a)
compound timestamp information
deposited at 2/24/2011 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 10/2/2012 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.
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