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Fructose-1,6-diphosphate (1MEOX) (7TMS) BP

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Replica Mass Spectra of Fructose-1,6-diphosphate (1MEOX) (7TMS) BP

replica	lib entry date	detection	method	species
1	26 November 2004		M[FAME4090]	Standard
3	22 February 2005	MS-TOF	M[STR]
6	03 November 2010		Schomburg_GC_2010
4	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
5	22 February 2005	MS-TOF	M[STR]
5 spectrum(a)

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Spectrum Details

analyte	Fructose-1,6-diphosphate (1MEOX) (7TMS) BP
analyte InChI	InChI=1S/C28H73NO12P2Si7/c1-32-29-25(23-33-42(30,38-47(11,12)13)39-48(14,15)16)27(36-45(5,6)7)28(37-46(8,9)10)26(35-44(2,3)4)24-34-43(31,40-49(17,18)19)41-50(20,21)22/h26-28H,23-24H2,1-22H3/b29-25-
analyte mass	874.43
chromatogram	1160EC23
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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	01 May 2001
metabolite role	METB
retention time (sec)	1,021.38
retention index (VAR5 method, n-alkanes C10–C36)	2,714.26 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	75 intensities
minimal m/z	73
maximal m/z	558
download JCAMP DX	SpectrumJcampDx.ashx?id=3ffeab54-a8f9-4b7f-9ce0-7c90d41cb27b
download MSP	SpectrumMsp.ashx?id=3ffeab54-a8f9-4b7f-9ce0-7c90d41cb27b

GC-Method

name	M[EIGTMS]
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detector	MS-TOF	MZ:70-600; SCANS:6/s; Pegasus II 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, 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, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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