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Replica Mass Spectra of Kestose, 1- (11TMS)
replica | lib entry date | detection | method | species |
15 | 22 January 2010 | MS-TOF | VAR5 | |
13 | 22 January 2010 | MS-TOF | VAR5 | Arabidopsis thaliana |
8 | 14 December 2009 | MS-TOF | VAR5 | Arabidopsis thaliana |
2 | 22 January 2005 | MS-QUAD | M[ROE] | |
18 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
3 | 26 November 2004 | | M[FAME4090] | Standard |
14 | 22 January 2010 | MS-TOF | VAR5 | Arabidopsis thaliana |
17 | 22 January 2010 | MS-TOF | VAR5 | |
6 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
12 | 22 January 2010 | MS-TOF | VAR5 | Arabidopsis thaliana |
15 spectrum(a) |
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Spectrum Details
analyte | Kestose, 1- (11TMS) |
analyte InChI | InChI=1S/C51H120O16Si11/c1-68(2,3)53-34-39-42(61-72(13,14)15)45(64-75(22,23)24)46(65-76(25,26)27)49(57-39)60-51(48(67-78(31,32)33)44(63-74(19,20)21)41(59-51)36-55-70(7,8)9)37-52-50(38-56-71(10,11)12)47(66-77(28,29)30)43(62-73(16,17)18)40(58-50)35-54-69(4,5)6/h39-49H,34-38H2,1-33H3/t39?,40?,41?,42-,43-,44?,45+,46-,47+,48+,49-,50-,51+/m1/s1 |
analyte mass | 1,298.43 |
chromatogram | 1248BK08 |
citation | Schauer 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 |
authors | 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 date | 01 August 2001 |
metabolite role | MST |
retention time (sec) | 2,800.38 |
retention index (VAR5 method, n-alkanes C10–C36) | 3,387.25 (predicted, according to Strehmel, N. et.al) |
base peak (m/z) | 361 |
maximal intensity | 999 |
mass-intensity-peaks cardinality | 50 intensities |
minimal m/z | 73 |
maximal m/z | 453 |
download JCAMP DX | SpectrumJcampDx.ashx?id=af24dd58-39e7-4943-b9e5-8af212e0cf08 |
download MSP | SpectrumMsp.ashx?id=af24dd58-39e7-4943-b9e5-8af212e0cf08 |
GC-Method
name | M[2] |
citation | Roessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142 |
attribute | text | details |
deconvolution | AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA | DIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low |
derivatization | MEOX; TMS | Methoxyamination:60min37°C; Trimethylsilylation:>45min37°C |
detector | MS-Quad | m/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA |
extraction | methanol:water (4:1; v/v); 15min70°C | |
ion source | EI | 70eV |
metabolic inactivation | cut; liquid nitrogen; -80°C | |
partitioning | methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning | |
RI | ALKANE | C12, C15, C19, C22, C28, C32, C36 |
separation | GC | COLUMN: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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