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Diethylenglycol (2TMS)

 

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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)
Page of 2     Results per page: 5 10 25 50 100 500

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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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