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Glucopyranoside, 1-O-methyl-, beta-D- (4TMS)

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Replica Mass Spectra of Glucopyranoside, 1-O-methyl-, beta-D- (4TMS)

replica	lib entry date	detection	method	species
2	18 December 2004	MS-Quad	M[2]	Nicotiana tabacum
3	12 May 2005		M[NIST]
4	18 December 2004	MS-Quad	M[2]	Nicotiana tabacum
5	01 February 2005	MS-TOF	M[6]	Reference Substance
6	18 December 2004	MS-Quad	M[2]	Nicotiana tabacum
7	02 January 2005	MS-TOF	M[6]	Nicotiana tabacum
8	15 March 2005	MS-TOF	M[6]	Reference Substance
9	18 December 2004	MS-Quad	M[2]	Standard
8 spectrum(a)

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Spectrum Details

analyte	Glucopyranoside, 1-O-methyl-, beta-D- (4TMS)
analyte InChI	InChI=1S/C19H46O6Si4/c1-20-19-18(25-29(11,12)13)17(24-28(8,9)10)16(23-27(5,6)7)15(22-19)14-21-26(2,3)4/h15-19H,14H2,1-13H3/t15-,16-,17+,18-,19-/m1/s1
analyte mass	482.91
chromatogram	3038BN25
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	14 November 2003
metabolite role	MST
retention time (sec)	1,687.62
retention index (VAR5 method, n-alkanes C10–C36)	1,884 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	204
maximal intensity	999
mass-intensity-peaks cardinality	95 intensities
minimal m/z	45
maximal m/z	435
download JCAMP DX	SpectrumJcampDx.ashx?id=c3e39739-6aa9-4e3d-a64c-0c68323d9842
download MSP	SpectrumMsp.ashx?id=c3e39739-6aa9-4e3d-a64c-0c68323d9842

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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