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Asparagine (4TMS) BP2

 

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Replica Mass Spectra of Asparagine (4TMS) BP2

replica	lib entry date	detection	method	species
1	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
2	01 December 2003	MS-Quad	M[2]	Standard
3	11 September 2005		M[FAME4090]	Standard
4	01 May 2001	MS-TOF	M[EIGTMS]	Standard
5	12 June 2003	MS-Quad	M[2]	Arabidopsis thaliana
7	01 June 2001	MS-TOF	M[EIGTMS]	Standard
10	12 October 2005	MS-TRAP	M[BAR]
7 spectrum(a)

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Spectrum Details

analyte	Asparagine (4TMS) BP2
analyte InChI
analyte mass	420.84
chromatogram	4132GX20
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	METB
retention time (sec)	1,178.81
retention index (VAR5 method, n-alkanes C10–C36)	1,863.67 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	68 intensities
minimal m/z	70
maximal m/z	407
download JCAMP DX	SpectrumJcampDx.ashx?id=cd4a9ab3-0fc8-44ae-a95d-e647d343364b
download MSP	SpectrumMsp.ashx?id=cd4a9ab3-0fc8-44ae-a95d-e647d343364b

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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