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Maltotriose (1MEOX) (11TMS) MP

 

Replica Mass Spectra of Maltotriose (1MEOX) (11TMS) MP

replicalib entry datedetectionmethodspecies
101 February 2005 MS-TOFM[6]Reference Substance
219 July 2007 MS-TOFMDN35Reference Substance
1628 August 2012  MassBank GC 2010 Tsujimoto 
1430 March 2011  Fiehn_GC_2010 
401 December 2003 MS-QuadM[2]Standard
1303 November 2010  Schomburg_GC_2010 
626 November 2004  M[FAME4090]Standard
1528 August 2012  MassBank GC 2010 Kusano 
1728 August 2012  MassBank GC 2010 Ara 
719 December 2003 MS-QuadM[2]Standard
15 spectrum(a)
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Spectrum Details

analyteMaltotriose (1MEOX) (11TMS) MP
analyte InChIInChI=1S/C52H123NO16Si11/c1-54-53-35-39(62-73(11,12)13)45(64-75(17,18)19)44(42(63-74(14,15)16)38-57-72(8,9)10)61-51-49(68-79(29,30)31)47(66-77(23,24)25)43(40(58-51)36-55-70(2,3)4)60-52-50(69-80(32,33)34)48(67-78(26,27)28)46(65-76(20,21)22)41(59-52)37-56-71(5,6)7/h35,39-52H,36-38H2,1-34H3
analyte mass1,327.47
chromatogram3161BN22
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
authorsKopka 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 date12 June 2003
metabolite roleMETB
retention time (sec)2,922.9
retention index (VAR5 method, n-alkanes C10–C36)3.529,17 (predicted, according to Strehmel, N. et.al)
base peak (m/z)204
maximal intensity999
mass-intensity-peaks cardinality175 intensities
minimal m/z45
maximal m/z586
download JCAMP DXSpectrumJcampDx.ashx?id=96b776b3-1340-478f-bf1f-5bb96ea5eb09
download MSPSpectrumMsp.ashx?id=96b776b3-1340-478f-bf1f-5bb96ea5eb09

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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