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Details of Adenosine, 5-methylthio- (3TMS)

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Role Analyte
nameAdenosine, 5-methylthio- (3TMS)
MPIMP IDA280002
isotopomerambient
formulaC20H39N5O3SSi3
molecular mass513.879
monoisotopic mass513.20814
InChIInChI=1S/C20H39N5O3SSi3/c1-29-11-14-16(27-31(5,6)7)17(28-32(8,9)10)20(26-14)25-13-23-15-18(24-30(2,3)4)21-12-22-19(15)25/h12-14,16-17,20H,11H2,1-10H3,(H,21,22,24)/t14?,16-,17-,20-/m1/s1
InChIKeyBAKWXPKBSGCDPL-KKPONZJBSA-N
substructure TMS 
substructure TBS0
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)2,793.88
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2737fcb778-9798-4078-8c88-4eccd7f017c9%27)

Synonyms of Adenosine, 5-methylthio- (3TMS)

propertyvalue
no synonym(s) available!

Metabolite mapped to Adenosine, 5-methylthio- (3TMS)

Reference spectra of Adenosine, 5-methylthio- (3TMS)

replicaentry datedetectionmethodspecies
108/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
118/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
63/17/2010 9:36:06 AM VAR5Solanum tuberosum
25/1/2001 12:00:00 AM M[EIGTMS]Reference Substance
73/17/2010 4:47:46 PM VAR5Brassica oleracea
138/28/2012 5:51:49 PM MassBank GC 2010 Ara 
48/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
811/3/2010 4:21:27 PM Schomburg_GC_2010 
93/30/2011 4:52:37 PM Fiehn_GC_2010 
55/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
11 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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