How would you rate the quality of this mass spectrum?
poor, not helpful 
 outstanding, most helpful.
This spectrum was 0 times rated; on average=0.0

Gluconic acid-1,5-lactone (4TMS)


Replica Mass Spectra of Gluconic acid-1,5-lactone (4TMS)

replicalib entry datedetectionmethodspecies
125 January 2005 MS-TOFM[MOR] 
226 November 2004  M[FAME4090]Standard
1330 March 2011  Fiehn_GC_2010 
1428 August 2012  MassBank GC 2010 Tsujimoto 
322 February 2005 MS-TOFM[STR] 
1605 June 2013  MRI_2013 
1528 August 2012  MassBank GC 2010 Tsujimoto 
1203 November 2010  Schomburg_GC_2010 
519 July 2007 MS-TOFVAR5Reference Substance
601 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
14 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteGluconic acid-1,5-lactone (4TMS)
analyte InChIInChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
analyte mass466.86
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB
retention time (sec)1,213.5
retention index (VAR5 method, n-alkanes C10–C36)1,873.87 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality46 intensities
minimal m/z70
maximal m/z144
download JCAMP DXSpectrumJcampDx.ashx?id=4853fb48-45b4-4e1f-a052-770a452dec03
download MSPSpectrumMsp.ashx?id=4853fb48-45b4-4e1f-a052-770a452dec03


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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

comments on this mass spectrum

Post a Comment
service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved