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Neuraminic acid, N-glycolyl- (1TMS) (7TMS) MP

 

Replica Mass Spectra of Neuraminic acid, N-glycolyl- (1TMS) (7TMS) MP

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
1 spectrum(a)
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Spectrum Details

analyteNeuraminic acid, N-glycolyl- (1TMS) (7TMS) MP
analyte InChIInChI=1S/C33H78N2O10Si7/c1-37-35-28(25-39-47(5,6)7)34-29-26(41-48(8,9)10)23-33(45-52(20,21)22,32(36)44-51(17,18)19)40-31(29)30(43-50(14,15)16)27(42-49(11,12)13)24-38-46(2,3)4/h26-27,29-31H,23-25H2,1-22H3,(H,34,35)/t26-,27+,29+,30+,31?,33+/m0/s1
analyte mass859.58
chromatogram6066hf_16
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 role 
retention time (sec)907.21
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity506.843
mass-intensity-peaks cardinality527 intensities
minimal m/z70
maximal m/z600
download JCAMP DXSpectrumJcampDx.ashx?id=fa8a1d4a-58df-4ebc-becc-ab54037be051
download MSPSpectrumMsp.ashx?id=fa8a1d4a-58df-4ebc-becc-ab54037be051

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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