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Orotic acid (3TMS)

 

Replica Mass Spectra of Orotic acid (3TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
201 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
301 February 2005 MS-TOFM[6]Reference Substance
1630 March 2011  Fiehn_GC_2010 
419 July 2007 MS-TOFVAR5Reference Substance
512 May 2005  M[NIST] 
625 January 2005 MS-TOFM[MOR] 
701 October 2001 MS-TOFM[EIGTMS]Standard Addition
1503 November 2010  Schomburg_GC_2010 
1730 March 2011  Fiehn_GC_2010 
17 spectrum(a)
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Spectrum Details

analyteOrotic acid (3TMS)
analyte 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
analyte mass372.64
chromatogram10300xx_41
citationNA
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,739.74 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity100,930
mass-intensity-peaks cardinality298 intensities
minimal m/z60
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=c865bdc7-921f-40a1-b79a-edaa270b1793
download MSPSpectrumMsp.ashx?id=c865bdc7-921f-40a1-b79a-edaa270b1793

GC-Method

nameMRI_2013
citation 
no method details available

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