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Adenosine-5-monophosphate (5TMS)

 

Replica Mass Spectra of Adenosine-5-monophosphate (5TMS)

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
1130 March 2011  Fiehn_GC_2010 
212 May 2005  M[NIST] 
326 November 2004  M[FAME4090]Standard
1003 November 2010  Schomburg_GC_2010 
401 May 2001 MS-TOFM[EIGTMS]Reference Substance
1230 March 2011  Fiehn_GC_2010 
612 May 2005  M[NIST] 
722 February 2005 MS-TOFM[STR] 
815 December 2003 MS-QuadM[2]Standard
11 spectrum(a)
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Spectrum Details

analyteAdenosine-5-monophosphate (5TMS)
analyte InChIInChI=1S/C25H54N5O7PSi5/c1-39(2,3)29-23-20-24(27-17-26-23)30(18-28-20)25-22(35-41(7,8)9)21(34-40(4,5)6)19(33-25)16-32-38(31,36-42(10,11)12)37-43(13,14)15/h17-19,21-22,25H,16H2,1-15H3,(H,26,27,29)/t19-,21-,22-,25-/m1/s1
analyte mass708.13
chromatogram6060hf_30
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
retention time (sec)1,034.69
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity54,875
mass-intensity-peaks cardinality346 intensities
minimal m/z45
maximal m/z896
download JCAMP DXSpectrumJcampDx.ashx?id=ada58ea7-52aa-4789-9021-b906bee25dee
download MSPSpectrumMsp.ashx?id=ada58ea7-52aa-4789-9021-b906bee25dee

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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