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Pyrophosphate (4TMS)

 

Replica Mass Spectra of Pyrophosphate (4TMS)

replicalib entry datedetectionmethodspecies
212 May 2005  M[NIST] 
1203 November 2010  Schomburg_GC_2010 
1330 March 2011  Fiehn_GC_2010 
501 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
601 September 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
812 May 2005  M[NIST] 
1122 February 2005 MS-TOFM[STR] 
7 spectrum(a)
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Spectrum Details

analytePyrophosphate (4TMS)
analyte InChIInChI=1S/C12H36O7P2Si4/c1-22(2,3)16-20(13,17-23(4,5)6)15-21(14,18-24(7,8)9)19-25(10,11)12/h1-12H3
analyte mass466.7
chromatogramNA(_46)
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authorsStrelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date22 February 2005
metabolite roleMETB
retention time (sec)1,393.32
retention index (VAR5 method, n-alkanes C10–C36)1,653.35 (predicted, according to Strehmel, N. et.al)
base peak (m/z)451
maximal intensity999
mass-intensity-peaks cardinality165 intensities
minimal m/z45
maximal m/z470
download JCAMP DXSpectrumJcampDx.ashx?id=58262ebf-2d6b-4edc-a8fe-976cd9857ee4
download MSPSpectrumMsp.ashx?id=58262ebf-2d6b-4edc-a8fe-976cd9857ee4

GC-Method

nameM[STR]
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
attributetextdetails
detectorMS-TOF 
ion sourceEI70eV
RIALKANEC10, C12, C15, C19, C22, C28, C32, C36
separationGCDB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

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