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Daidzein (2TMS)

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Replica Mass Spectra of Daidzein (2TMS)

replica	lib entry date	detection	method
3	30 March 2011		Fiehn_GC_2010
2	25 January 2005	MS-TOF	M[MOR]
4	28 August 2012		MassBank GC 2010 Tsujimoto
3 spectrum(a)

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyte	Daidzein (2TMS)
analyte InChI	InChI=1S/C21H26O4Si2/c1-26(2,3)24-16-9-7-15(8-10-16)19-14-23-20-13-17(25-27(4,5)6)11-12-18(20)21(19)22/h7-14H,1-6H3
analyte mass	398.6
chromatogram	2114BV31
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 April 2002
metabolite role	METB
retention time (sec)	2,456.34
retention index (VAR5 method, n-alkanes C10–C36)	2,933.42 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	398
maximal intensity	999
mass-intensity-peaks cardinality	176 intensities
minimal m/z	43
maximal m/z	402
download JCAMP DX	SpectrumJcampDx.ashx?id=515e47a9-c871-4491-a4d5-67a7a71938bf
download MSP	SpectrumMsp.ashx?id=515e47a9-c871-4491-a4d5-67a7a71938bf

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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