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NA114002 (classified unknown)

 

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Replica Mass Spectra of NA114002 (classified unknown)

replica	lib entry date	detection	method	species
11	05 June 2013		MRI_2013
8	03 November 2010		Schomburg_GC_2010
1	12 June 2003	MS-Quad	M[2]	Reference Substance
10	23 July 2012	MS-TOF	VAR5
2	01 September 2001	MS-Quad	M[2]	Standard Addition
9	06 May 2011	MS-TOF	VAR5
4	22 February 2005	MS-TOF	M[STR]
5	19 March 2010	MS-TOF	VAR5	Arabidopsis Thaliana
8 spectrum(a)

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Spectrum Details

analyte	NA114002 (classified unknown)
analyte InChI
analyte mass	235
chromatogram	4157GX11
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	CONT
retention time (sec)	570.63
retention index (VAR5 method, n-alkanes C10–C36)	1,122.76 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	80 intensities
minimal m/z	70
maximal m/z	238
download JCAMP DX	SpectrumJcampDx.ashx?id=7afee01e-6578-4f88-9b34-67d51750ba70
download MSP	SpectrumMsp.ashx?id=7afee01e-6578-4f88-9b34-67d51750ba70

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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