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Erythrose-4-phosphate (1MEOX) (4TMS) MP

 

Replica Mass Spectra of Erythrose-4-phosphate (1MEOX) (4TMS) MP

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFMDN35Reference Substance
226 November 2004  M[FAME4090]Standard
803 November 2010  Schomburg_GC_2010 
930 March 2011  Fiehn_GC_2010 
1030 March 2011  Fiehn_GC_2010 
319 July 2007 MS-TOFVAR5Reference Substance
419 July 2007 MS-TOFVAR5Reference Substance
522 February 2005 MS-TOFM[STR] 
622 February 2005 MS-TOFM[STR] 
9 spectrum(a)
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Spectrum Details

analyteErythrose-4-phosphate (1MEOX) (4TMS) MP
analyte InChIInChI=1S/C17H44NO7PSi4/c1-20-18-14-16(22-27(2,3)4)17(23-28(5,6)7)15-21-26(19,24-29(8,9)10)25-30(11,12)13/h14,16-17H,15H2,1-13H3/b18-14+/t16-,17+/m0/s1
analyte mass517.85
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)1,887.6
retention index (VAR5 method, n-alkanes C10–C36)1,897.2 (predicted, according to Strehmel, N. et.al)
base peak (m/z)357
maximal intensity999
mass-intensity-peaks cardinality159 intensities
minimal m/z58
maximal m/z518
download JCAMP DXSpectrumJcampDx.ashx?id=bf9e6c42-e356-4a04-9fc5-f9fbd1b2ec2f
download MSPSpectrumMsp.ashx?id=bf9e6c42-e356-4a04-9fc5-f9fbd1b2ec2f

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

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