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NA201004 (classified unknown)

 

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Replica Mass Spectra of NA201004 (classified unknown)

replica	lib entry date	detection	method	species
1	27 October 2003	MS-Quad	M[2]	Standard
2	15 March 2005	MS-TOF	M[6]	Reference Substance
4	31 March 2011	MS-TOF	VAR5
3 spectrum(a)

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Spectrum Details

analyte	NA201004 (classified unknown)
analyte InChI
analyte mass	502.94
chromatogram	4157GX20
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	15 March 2005
metabolite role	MST
retention time (sec)	1,282.33
retention index (VAR5 method, n-alkanes C10–C36)	2,014.83 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	157 intensities
minimal m/z	70
maximal m/z	459
download JCAMP DX	SpectrumJcampDx.ashx?id=f6815ffd-b4a3-4c21-93fa-36e2a2943049
download MSP	SpectrumMsp.ashx?id=f6815ffd-b4a3-4c21-93fa-36e2a2943049

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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