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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] 
822 February 2005 MS-TOFM[STR] 
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
chromatogram1324BK20
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
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 date01 November 2001
metabolite roleMETB
retention time (sec)2,128.98
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 cardinality50 intensities
minimal m/z44
maximal m/z389
download JCAMP DXSpectrumJcampDx.ashx?id=7fbde1ff-cb60-44ec-bbf6-a75c3ce330a8
download MSPSpectrumMsp.ashx?id=7fbde1ff-cb60-44ec-bbf6-a75c3ce330a8

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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