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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] 
426 November 2004  M[FAME4090]Standard
512 May 2005  M[NIST] 
612 May 2005  M[NIST] 
712 October 2005 MS-TRAPM[BAR] 
822 February 2005 MS-TOFM[STR] 
1001 November 2001 MS-QuadM[2]Reference Substance
1101 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
1530 March 2011  Fiehn_GC_2010 
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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
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)34.97
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity1,000
mass-intensity-peaks cardinality337 intensities
minimal m/z45
maximal m/z574
download JCAMP DXSpectrumJcampDx.ashx?id=81e0dc8b-4231-4b50-ad33-2e9779c0b130
download MSPSpectrumMsp.ashx?id=81e0dc8b-4231-4b50-ad33-2e9779c0b130

GC-Method

nameSchomburg_GC_2010
citation 
no method details available

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