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-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] 
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 
12 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

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
chromatogramNA(_27)
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authorsBarsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date12 October 2005
metabolite roleMETB
retention time (sec)2,461.8
retention index (VAR5 method, n-alkanes C10–C36)2.414,04 (predicted, according to Strehmel, N. et.al)
base peak (m/z)387
maximal intensity999
mass-intensity-peaks cardinality243 intensities
minimal m/z53
maximal m/z541
download JCAMP DXSpectrumJcampDx.ashx?id=dd910a98-a84c-4749-8168-6992a695b875
download MSPSpectrumMsp.ashx?id=dd910a98-a84c-4749-8168-6992a695b875

GC-Method

nameM[BAR]
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA 
derivatizationMEOX; TMSMethoxyamination:90min37°C; Trimethylsilylation:30min37°C
detectorMS-TRAPMZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
metabolic inactivationfiltration; liquid nitrogen; lyophilization 
partitioningnone 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°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