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Creatinine (3TMS)

 

Replica Mass Spectra of Creatinine (3TMS)

replicalib entry datedetectionmethodspecies
1003 November 2010  Schomburg_GC_2010 
1130 March 2011  Fiehn_GC_2010 
312 May 2005  M[NIST] 
419 July 2007 MS-TOFMDN35Reference Substance
512 May 2005  M[NIST] 
619 July 2007 MS-TOFVAR5Reference Substance
1228 August 2012  MassBank GC 2010 Tsujimoto 
7 spectrum(a)
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Spectrum Details

analyteCreatinine (3TMS)
analyte InChIInChI=1S/C13H31N3OSi3/c1-15-11-12(17-20(8,9)10)14-13(15)16(18(2,3)4)19(5,6)7/h11H,1-10H3
analyte mass329.66
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)1,548.73 (predicted, according to Strehmel, N. et.al)
base peak (m/z)115
maximal intensity1,792,579
mass-intensity-peaks cardinality310 intensities
minimal m/z60
maximal m/z548
download JCAMP DXSpectrumJcampDx.ashx?id=2002a7e3-02f1-465b-ba35-2624360e308a
download MSPSpectrumMsp.ashx?id=2002a7e3-02f1-465b-ba35-2624360e308a

GC-Method

nameMRI_2013
citation 
no method details available

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