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Gluconic acid-6-phosphate (7TMS)

 

Replica Mass Spectra of Gluconic acid-6-phosphate (7TMS)

replicalib entry datedetectionmethodspecies
101 January 2002 MS-TOFM[EIGTMS]Reference Substance
212 May 2005  M[NIST] 
1403 November 2010  Schomburg_GC_2010 
426 November 2004  M[FAME4090]Standard
512 May 2005  M[NIST] 
612 May 2005  M[NIST] 
712 October 2005 MS-TRAPM[BAR] 
1001 November 2001 MS-QuadM[2]Reference Substance
1101 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
1530 March 2011  Fiehn_GC_2010 
12 spectrum(a)
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Spectrum Details

analyteGluconic acid-6-phosphate (7TMS)
analyte InChIInChI=1S/C27H69O10PSi7/c1-39(2,3)31-23(22-30-38(29,36-44(16,17)18)37-45(19,20)21)24(32-40(4,5)6)25(33-41(7,8)9)26(34-42(10,11)12)27(28)35-43(13,14)15/h23-26H,22H2,1-21H3/t23-,24-,25+,26-/m1/s1
analyte mass781.4
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) 
retention index (VAR5 method, n-alkanes C10–C36)2.414,04 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality263 intensities
minimal m/z45
maximal m/z573
download JCAMP DXSpectrumJcampDx.ashx?id=be0737d7-b5a6-473f-8fa9-75409a09f8de
download MSPSpectrumMsp.ashx?id=be0737d7-b5a6-473f-8fa9-75409a09f8de

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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