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Replica Mass Spectra of Diethylenglycol (2TMS)
| replica | lib entry date | detection | method | species |
| 14 | 05 June 2013 | | MRI_2013 | |
| 1 | 22 January 2005 | MS-QUAD | M[ROE] | |
| 2 | 12 May 2005 | | M[NIST] | |
| 3 | 01 December 2003 | MS-Quad | M[2] | Arabidopsis thaliana |
| 4 | 12 June 2003 | MS-Quad | M[2] | Arabidopsis thaliana |
| 11 | 19 April 2010 | MS-TOF | VAR5 | Multi Mix |
| 12 | 03 November 2010 | | Schomburg_GC_2010 | |
| 5 | 01 May 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
| 7 | 12 May 2005 | | M[NIST] | |
| 8 | 15 March 2005 | MS-TOF | M[6] | Reference Substance |
| 13 spectrum(a) |
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Spectrum Details
| analyte | Diethylenglycol (2TMS) |
| analyte InChI | InChI=1S/C10H26O3Si2/c1-14(2,3)12-9-7-11-8-10-13-15(4,5)6/h7-10H2,1-6H3 |
| analyte mass | 250.48 |
| chromatogram | NA(_54) |
| citation | |
| authors | Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia |
| lib entry date | 22 January 2005 |
| metabolite role | CONT-MST |
| retention time (sec) | |
| retention index (VAR5 method, n-alkanes C10–C36) | 1,235.3 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 73 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 86 intensities |
| minimal m/z | 70 |
| maximal m/z | 337 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=08aa8bd8-d250-457b-842d-a4916d59cea4 |
| download MSP | SpectrumMsp.ashx?id=08aa8bd8-d250-457b-842d-a4916d59cea4 |
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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