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Spermidine (4TMS)

 

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Replica Mass Spectra of Spermidine (4TMS)

replica	lib entry date	detection	method	species
1	25 January 2005	MS-TOF	M[MOR]
2	26 November 2004		M[FAME4090]	Standard
3	11 September 2005		M[FAME4090]	Standard
4	15 March 2005	MS-TOF	M[6]	Reference Substance
10	14 April 2010	MS-TOF	VAR5	Reference Substance
12	30 March 2011		Fiehn_GC_2010
6	15 March 2005	MS-TOF	M[6]	Reference Substance
8	01 April 2002	MS-Quad	M[2]	Reference Substance
9	01 November 2001	MS-TOF	M[EIGTMS]	Reference Substance
9 spectrum(a)

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Spectrum Details

analyte	Spermidine (4TMS)
analyte InChI
analyte mass	433.97
chromatogram	4253GX69
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)	1,368.94
retention index (VAR5 method, n-alkanes C10–C36)	2,197.01 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	118 intensities
minimal m/z	70
maximal m/z	420
download JCAMP DX	SpectrumJcampDx.ashx?id=dc8b4907-bcaa-4cef-9f9b-a3fbd7b6474c
download MSP	SpectrumMsp.ashx?id=dc8b4907-bcaa-4cef-9f9b-a3fbd7b6474c

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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