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Trehalose-6-phosphate (9TMS)

 

Replica Mass Spectra of Trehalose-6-phosphate (9TMS)

replicalib entry datedetectionmethodspecies
603 November 2010  Schomburg_GC_2010 
730 March 2011  Fiehn_GC_2010 
101 May 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
319 July 2007 MS-TOFMDN35Reference Substance
422 February 2005 MS-TOFM[STR] 
519 July 2007 MS-TOFVAR5Reference Substance
6 spectrum(a)
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Spectrum Details

analyteTrehalose-6-phosphate (9TMS)
analyte InChIInChI=1S/C39H95O14PSi9/c1-55(2,3)42-29-31-33(47-57(7,8)9)35(49-59(13,14)15)37(51-61(19,20)21)39(44-31)45-38-36(50-60(16,17)18)34(48-58(10,11)12)32(46-56(4,5)6)30(43-38)28-41-54(40,52-62(22,23)24)53-63(25,26)27/h30-39H,28-29H2,1-27H3
analyte mass1,071.91
chromatogram1318EC07
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 November 2001
metabolite roleMETB
retention time (sec)1,118.64
retention index (VAR5 method, n-alkanes C10–C36)3,172.77 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality133 intensities
minimal m/z72
maximal m/z515
download JCAMP DXSpectrumJcampDx.ashx?id=412f6445-ec07-4020-859b-88821185d4b0
download MSPSpectrumMsp.ashx?id=412f6445-ec07-4020-859b-88821185d4b0

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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