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Isocitric acid (4TMS)

 

Replica Mass Spectra of Isocitric acid (4TMS)

replicalib entry datedetectionmethodspecies
2528 August 2012  MassBank GC 2010 Kusano 
111 September 2005  M[FAME4090]Standard
219 January 2005 MS-QUADM[ROE] 
2728 August 2012  MassBank GC 2010 Ara 
2628 August 2012  MassBank GC 2010 Tsujimoto 
2905 June 2013  MRI_2013 
601 October 2001 MS-TOFM[EIGTMS]Standard
812 May 2005  M[NIST] 
922 February 2005 MS-TOFM[STR] 
1012 October 2005 MS-TRAPM[BAR] 
25 spectrum(a)
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Spectrum Details

analyteIsocitric acid (4TMS)
analyte InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3
analyte mass480.85
chromatogram6032hf_41
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-METB
retention time (sec)583.34
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity615.714
mass-intensity-peaks cardinality505 intensities
minimal m/z45
maximal m/z997
download JCAMP DXSpectrumJcampDx.ashx?id=dc4da8dd-3215-4ae1-9cc8-3c583ce2012e
download MSPSpectrumMsp.ashx?id=dc4da8dd-3215-4ae1-9cc8-3c583ce2012e

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

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