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Gluconic acid, 2-amino-2-deoxy- (7TMS)

 

Replica Mass Spectra of Gluconic acid, 2-amino-2-deoxy- (7TMS)

replicalib entry datedetectionmethodspecies
530 March 2011  Fiehn_GC_2010 
119 July 2007 MS-TOFVAR5Reference Substance
219 July 2007 MS-TOFMDN35Reference Substance
326 November 2004  M[FAME4090]Standard
630 March 2011  Fiehn_GC_2010 
5 spectrum(a)
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Spectrum Details

analyteGluconic acid, 2-amino-2-deoxy- (7TMS)
analyte InChIInChI=1S/C27H69NO6Si7/c1-35(2,3)28(36(4,5)6)24(27(29)34-41(19,20)21)26(33-40(16,17)18)25(32-39(13,14)15)23(31-38(10,11)12)22-30-37(7,8)9/h23-26H,22H2,1-21H3/t23-,24-,25-,26-/m1/s1
analyte mass700.44
chromatogram4029BB07
citation 
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 date07 September 2004
metabolite roleMST
retention time (sec)1,774.74
retention index (VAR5 method, n-alkanes C10–C36)2,029.48 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality234 intensities
minimal m/z41
maximal m/z524
download JCAMP DXSpectrumJcampDx.ashx?id=3e95993d-d3cc-4b95-aa18-ac0afa2ca5b4
download MSPSpectrumMsp.ashx?id=3e95993d-d3cc-4b95-aa18-ac0afa2ca5b4

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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