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Valine, 2,3,4,4,4,5,5,5-d8- (2TMS)

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Replica Mass Spectra of Valine, 2,3,4,4,4,5,5,5-d8- (2TMS)

replica	lib entry date	detection	method	species
1	01 October 2001	MS-TOF	M[EIGTMS]	Standard Addition
1 spectrum(a)

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Spectrum Details

analyte	Valine, 2,3,4,4,4,5,5,5-d8- (2TMS)
analyte InChI
analyte mass	269
chromatogram	4173GX95
citation
authors	Liebig F, Erban A, 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 February 2005
metabolite role	IS (QUAN)
retention time (sec)	619.31
retention index (VAR5 method, n-alkanes C10–C36)	1,201.49 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	87 intensities
minimal m/z	70
maximal m/z	256
download JCAMP DX	SpectrumJcampDx.ashx?id=8fd1cb41-4da5-42c0-a19a-feb122e70095
download MSP	SpectrumMsp.ashx?id=8fd1cb41-4da5-42c0-a19a-feb122e70095

GC-Method

name	M[6]
citation	Erban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatization	MEOX; TMS	Methoxyamination:90min40°C; Trimethylsilylation:45min40°C
detector	MS-TOF	MZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, 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, C18, 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, #525560 (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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