GOLM METABOLOME DATABASE
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, 2-oxo- (1MEOX) (5TMS) BP

 

Replica Mass Spectra of Gluconic acid, 2-oxo- (1MEOX) (5TMS) BP

replicalib entry datedetectionmethodspecies
115 March 2005 MS-TOFM[6]Reference Substance
301 July 2001 MS-QuadM[2]Standard
628 August 2012  MassBank GC 2010 Tsujimoto 
419 July 2007 MS-TOFVAR5Reference Substance
501 November 2001 MS-TOFM[EIGTMS]Standard
5 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteGluconic acid, 2-oxo- (1MEOX) (5TMS) BP
analyte InChIInChI=1S/C22H53NO7Si5/c1-25-23-19(22(24)30-35(14,15)16)21(29-34(11,12)13)20(28-33(8,9)10)18(27-32(5,6)7)17-26-31(2,3)4/h18,20-21H,17H2,1-16H3/b23-19+/t18-,20-,21-/m1/s1
analyte mass584.09
chromatogram6060hf_37
citation 
authorsBoelling C, Liebig F, Erban A, Kopka 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 date19 July 2007
metabolite roleMETB
retention time (sec)578.43
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity42.119
mass-intensity-peaks cardinality315 intensities
minimal m/z45
maximal m/z998
download JCAMP DXSpectrumJcampDx.ashx?id=6fd26bf9-f09e-4a0f-805f-3aa4e2ad9b18
download MSPSpectrumMsp.ashx?id=6fd26bf9-f09e-4a0f-805f-3aa4e2ad9b18

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

comments on this mass spectrum

Post a Comment
Name:
 
Website:  
Email:
Comments:
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
Top