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Details of Orotic acid (3TMS)

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Role Analyte
nameOrotic acid (3TMS)
MPIMP IDA176003
isotopomerambient
formulaC14H28N2O4Si3
molecular mass372.640
monoisotopic mass372.13569
InChIInChI=1S/C14H28N2O4Si3/c1-21(2,3)15-11(13(18)20-23(7,8)9)10-12(17)16(14(15)19)22(4,5)6/h10H,1-9H3
InChIKeyPJFAFZGQQBGVSQ-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,738.92
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2739a2e740-e621-4c83-a324-bc29e470a2f5%27)

Synonyms of Orotic acid (3TMS)

propertyvalue
ChemSpider ID539106
PubChem CID520508
2 synonym(s)

Metabolite mapped to Orotic acid (3TMS)

metabolitestereoisomerisotopomer
Orotic acid  ambient
1 metabolite(s)

Reference spectra of Orotic acid (3TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
28/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
32/1/2005 12:00:00 AM M[6]Reference Substance
163/30/2011 4:52:37 PM Fiehn_GC_2010 
47/19/2007 11:16:30 AM VAR5Reference Substance
55/12/2005 12:00:00 AM M[NIST] 
61/25/2005 12:00:00 AM M[MOR] 
710/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
1511/3/2010 4:22:29 PM Schomburg_GC_2010 
173/30/2011 4:52:37 PM Fiehn_GC_2010 
18 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 8/11/2011 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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