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Galactaric acid (6TMS)

 

Replica Mass Spectra of Galactaric acid (6TMS)

replicalib entry datedetectionmethodspecies
126 November 2004  M[FAME4090]Standard
219 July 2007 MS-TOFVAR5Reference Substance
412 June 2003 MS-QuadM[2]Arabidopsis thaliana
519 July 2007 MS-TOFVAR5Reference Substance
601 August 2001 MS-QuadM[2]Standard
712 May 2005  M[NIST] 
801 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
1530 March 2011  Fiehn_GC_2010 
901 May 2001 MS-TOFM[EIGTMS]Standard Addition
1001 June 2001 MS-TOFM[EIGTMS]Alyssum lesbiacum
14 spectrum(a)
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Spectrum Details

analyteGalactaric acid (6TMS)
analyte InChIInChI=1S/C24H58O8Si6/c1-33(2,3)27-19(21(29-35(7,8)9)23(25)31-37(13,14)15)20(28-34(4,5)6)22(30-36(10,11)12)24(26)32-38(16,17)18/h19-22H,1-18H3/t19-,20+,21+,22-
analyte mass643.23
chromatogram6080hf_57
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 roleMST
retention time (sec)639.24
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity1,302,418
mass-intensity-peaks cardinality582 intensities
minimal m/z45
maximal m/z998
download JCAMP DXSpectrumJcampDx.ashx?id=09c9e43c-b4ef-4842-864b-320d2d1266d8
download MSPSpectrumMsp.ashx?id=09c9e43c-b4ef-4842-864b-320d2d1266d8

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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