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Details of Levodopa (4TMS)

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Role Analyte
nameLevodopa (4TMS)
MPIMP IDA209007
isotopomerambient
formulaC21H43NO4Si4
molecular mass485.913
monoisotopic mass485.22692
InChIInChI=1S/C21H43NO4Si4/c1-27(2,3)22-18(21(23)26-30(10,11)12)15-17-13-14-19(24-28(4,5)6)20(16-17)25-29(7,8)9/h13-14,16,18,22H,15H2,1-12H3/t18-/m0/s1
InChIKeySSTPUELEMUKSOG-SFHVURJKSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,089.82
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2799032fb0-c65b-42e2-880f-f046ca619e05%27)

Synonyms of Levodopa (4TMS)

propertyvalue
ChemSpider ID20036095
PubChem CID530098
2 synonym(s)

Metabolite mapped to Levodopa (4TMS)

Reference spectra of Levodopa (4TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
21/25/2005 12:00:00 AM M[MOR] 
88/28/2012 5:51:49 PM MassBank GC 2010 Ara 
96/5/2013 12:39:00 PM MRI_2013 
37/19/2007 11:16:30 AM MDN35Reference Substance
78/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
68/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
47/19/2007 11:16:30 AM VAR5Reference Substance
511/26/2004 12:00:00 AM M[FAME4090]Standard
9 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 8/11/2011 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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