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Replica Mass Spectra of Cellobiose, D- (1MEOX) (8TMS) BP
replica | lib entry date | detection | method | species |
1 | 26 November 2004 | | M[FAME4090] | Reference Substance |
6 | 30 March 2011 | | Fiehn_GC_2010 | |
3 | 25 January 2005 | MS-TOF | M[MOR] | |
7 | 05 June 2013 | | MRI_2013 | |
4 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
5 | 03 November 2010 | | Schomburg_GC_2010 | |
6 spectrum(a) |
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Spectrum Details
analyte | Cellobiose, D- (1MEOX) (8TMS) BP |
analyte InChI | InChI=1S/C37H89NO11Si8/c1-39-38-26-29(44-52(8,9)10)33(46-54(14,15)16)32(31(45-53(11,12)13)28-41-51(5,6)7)43-37-36(49-57(23,24)25)35(48-56(20,21)22)34(47-55(17,18)19)30(42-37)27-40-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26- |
analyte mass | 948.79 |
chromatogram | NA(_49) |
citation | |
authors | Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia |
lib entry date | 19 January 2005 |
metabolite role | METB |
retention time (sec) | |
retention index (VAR5 method, n-alkanes C10–C36) | 2,718.76 (predicted, according to Strehmel, N. et.al) |
base peak (m/z) | 204 |
maximal intensity | 999 |
mass-intensity-peaks cardinality | 331 intensities |
minimal m/z | 70 |
maximal m/z | 599 |
download JCAMP DX | SpectrumJcampDx.ashx?id=870359e3-0137-4881-ab1a-790e82e201a4 |
download MSP | SpectrumMsp.ashx?id=870359e3-0137-4881-ab1a-790e82e201a4 |
GC-Method
name | M[ROE] |
citation | U. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087 |
attribute | text | details |
deconvolution | Xcalibur program | |
derivatization | MEOX; MSTFA | METHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C |
detector | MS-QUAD | m/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer |
extraction | methanol:chloroform | |
ion source | EI | 70eV |
RI | ALKANE | C12, C15, C19, C22, C28, C32, C36 |
separation | GC | COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C |
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