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Galactinol (9TMS)


Replica Mass Spectra of Galactinol (9TMS)

replicalib entry datedetectionmethodspecies
101 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
201 May 2001 MS-TOFM[EIGTMS]Standard Addition
301 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
401 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
501 May 2003 MS-QuadM[2]Standard
601 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
2103 November 2010  Schomburg_GC_2010 
2305 June 2013  MRI_2013 
901 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
1026 November 2004  M[FAME4090]Standard
21 spectrum(a)
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Spectrum Details

analyteGalactinol (9TMS)
analyte InChIInChI=1S/C39H94O11Si9/c1-51(2,3)40-28-29-30(43-52(4,5)6)32(44-53(7,8)9)38(50-59(25,26)27)39(41-29)42-31-33(45-54(10,11)12)35(47-56(16,17)18)37(49-58(22,23)24)36(48-57(19,20)21)34(31)46-55(13,14)15/h29-39H,28H2,1-27H3/t29-,30+,31-,32+,33-,34-,35+,36-,37-,38-,39-/m1/s1
analyte mass991.93
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 date01 September 2001
metabolite roleMETB
retention time (sec)2,541.6
retention index (VAR5 method, n-alkanes C10–C36)2,978.02 (predicted, according to Strehmel, N. et.al)
base peak (m/z)204
maximal intensity999
mass-intensity-peaks cardinality50 intensities
minimal m/z73
maximal m/z435
download JCAMP DXSpectrumJcampDx.ashx?id=67a7d10d-7514-499a-b44f-4144bdb9c863
download MSPSpectrumMsp.ashx?id=67a7d10d-7514-499a-b44f-4144bdb9c863


citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
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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