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Creatinine (3TMS)

 

Replica Mass Spectra of Creatinine (3TMS)

replicalib entry datedetectionmethodspecies
1305 June 2013  MRI_2013 
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_01
citationNA
authorsJäger C, Schomburg D Department of Bioinformatics and Biochemistry, Technische Universität Carolo-Wilhelmina Braunschweig, Langer Kamp 19B, D-38106 Braunschweig, Germany
lib entry date03 November 2010
metabolite role 
retention time (sec)22.37
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)115
maximal intensity1,000
mass-intensity-peaks cardinality153 intensities
minimal m/z41
maximal m/z333
download JCAMP DXSpectrumJcampDx.ashx?id=500bd8ec-2bd5-4f8b-84a8-335c794ac957
download MSPSpectrumMsp.ashx?id=500bd8ec-2bd5-4f8b-84a8-335c794ac957

GC-Method

nameSchomburg_GC_2010
citation 
no method details available

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