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Nicotinic acid (1TMS)

 

Replica Mass Spectra of Nicotinic acid (1TMS)

replicalib entry datedetectionmethodspecies
2128 August 2012  MassBank GC 2010 Ara 
219 July 2007 MS-TOFVAR5Reference Substance
1703 November 2010  Schomburg_GC_2010 
1830 March 2011  Fiehn_GC_2010 
512 May 2005  M[NIST] 
626 November 2004  M[FAME4090]Standard
801 September 2001 MS-QuadM[2]Standard Addition
912 May 2005  M[NIST] 
1025 January 2005 MS-TOFM[MOR] 
2228 August 2012  MassBank GC 2010 Ara 
14 spectrum(a)
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Spectrum Details

analyteNicotinic acid (1TMS)
analyte InChIInChI=1S/C9H13NO2Si/c1-13(2,3)12-9(11)8-5-4-6-10-7-8/h4-7H,1-3H3
analyte mass195.29
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)1,282.11 (predicted, according to Strehmel, N. et.al)
base peak (m/z)180
maximal intensity807,382
mass-intensity-peaks cardinality233 intensities
minimal m/z60
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=a0ff3e1e-34f2-4398-9475-e87a489ef5a2
download MSPSpectrumMsp.ashx?id=a0ff3e1e-34f2-4398-9475-e87a489ef5a2

GC-Method

nameMRI_2013
citation 
no method details available

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