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Details of Lipoic aicd (1TMS)

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Role Analyte
nameLipoic aicd (1TMS)
MPIMP IDA195026
isotopomerambient
formulaC11H22O2S2Si
molecular mass278.509
monoisotopic mass278.08305
InChIInChI=1S/C11H22O2S2Si/c1-16(2,3)13-11(12)7-5-4-6-10-8-9-14-15-10/h10H,4-9H2,1-3H3
InChIKeyVYEJVWLMHFWIEA-UHFFFAOYSA-N
substructure TMS 
substructure TBS 
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)1,946.6
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c0c7398f-b4f1-4b08-8fab-4c70bb9f5bcb%27)

Synonyms of Lipoic aicd (1TMS)

propertyvalue
External IdentificationMassbank_2012
synonymNA195026
synonymPentanoic acid, 5-(1,2-dithiolan-3-yl)- (1TMS)
3 synonym(s)

Metabolite mapped to Lipoic aicd (1TMS)

metabolitestereoisomerisotopomer
Lipoic acidDL- ambient
1 metabolite(s)

Reference spectra of Lipoic aicd (1TMS)

replicaentry datedetectionmethodspecies
38/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
13/30/2011 4:52:37 PM Fiehn_GC_2010 
48/28/2012 5:51:49 PM MassBank GC 2010 Ara 
58/28/2012 5:51:49 PM MassBank GC 2010 Ara 
68/28/2012 5:51:49 PM MassBank GC 2010 Ara 
23/30/2011 4:52:37 PM Fiehn_GC_2010 
6 spectrum(a)
compound timestamp information
deposited at 3/23/2011 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 10/1/2012 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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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