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Glucose-6-phosphate (1MEOX) (6TMS) MP

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Replica Mass Spectra of Glucose-6-phosphate (1MEOX) (6TMS) MP

replica	lib entry date	detection	method	species
1	12 June 2003	MS-Quad	M[2]	Arabidopsis thaliana
3	01 December 2003	MS-Quad	M[2]	Standard
4	12 May 2005		M[NIST]
27	05 June 2013		MRI_2013
5	22 February 2005	MS-TOF	M[STR]
6	19 July 2007	MS-TOF	VAR5	Reference Substance
24	30 March 2011		Fiehn_GC_2010
9	01 October 2001	MS-TOF	M[EIGTMS]	Standard Addition
10	01 January 2002	MS-TOF	M[EIGTMS]	Standard
26	28 August 2012		MassBank GC 2010 Ara
24 spectrum(a)
Page of 3 Results per page:

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Spectrum Details

analyte	Glucose-6-phosphate (1MEOX) (6TMS) MP
analyte InChI	InChI=1S/C25H64NO9PSi6/c1-28-26-20-22(30-37(2,3)4)24(32-39(8,9)10)25(33-40(11,12)13)23(31-38(5,6)7)21-29-36(27,34-41(14,15)16)35-42(17,18)19/h20,22-25H,21H2,1-19H3/b26-20+/t22-,23+,24+,25+/m0/s1
analyte mass	722.26
chromatogram	4137GX16
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-METB
retention time (sec)	1,455.63
retention index (VAR5 method, n-alkanes C10–C36)	2,308.72 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	184 intensities
minimal m/z	70
maximal m/z	506
download JCAMP DX	SpectrumJcampDx.ashx?id=24d8e102-5177-495b-aebb-4c801776cc13
download MSP	SpectrumMsp.ashx?id=24d8e102-5177-495b-aebb-4c801776cc13

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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