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Tocopherol, alpha- (1TMS)

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Replica Mass Spectra of Tocopherol, alpha- (1TMS)

replica	lib entry date	detection	method	species
1	12 May 2005		M[NIST]
2	01 May 2001	MS-TOF	M[EIGTMS]	Arabidopsis thaliana
18	28 August 2012		MassBank GC 2010 Kusano
5	23 December 2003	MS-Quad	M[2]	Ovis aries
6	01 December 2002	MS-Quad	M[2]	Cucurbita pepo
7	01 October 2001	MS-Quad	M[2]	Standard
8	22 January 2005	MS-QUAD	M[ROE]
9	11 September 2005		M[FAME4090]	Standard
17	30 March 2011		Fiehn_GC_2010
10	25 January 2005	MS-TOF	M[MOR]
16 spectrum(a)
Page of 2 Results per page:

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Spectrum Details

analyte	Tocopherol, alpha- (1TMS)
analyte InChI	InChI=1S/C32H58O2Si/c1-23(2)15-12-16-24(3)17-13-18-25(4)19-14-21-32(8)22-20-29-28(7)30(34-35(9,10)11)26(5)27(6)31(29)33-32/h23-25H,12-22H2,1-11H3/t24-,25-,32-/m1/s1
analyte mass	502.89
chromatogram	4206GX216
citation
authors	Kopka J, 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	07 September 2004
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	3,160.75 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	164 intensities
minimal m/z	70
maximal m/z	506
download JCAMP DX	SpectrumJcampDx.ashx?id=027c24f9-b5db-4e19-98e7-2a44ebf4c68e
download MSP	SpectrumMsp.ashx?id=027c24f9-b5db-4e19-98e7-2a44ebf4c68e

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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