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Glucuronic acid (1MEOX) (5TMS) MP

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Replica Mass Spectra of Glucuronic acid (1MEOX) (5TMS) MP

replica	lib entry date	detection	method	species
2	22 February 2005	MS-TOF	M[STR]
3	14 October 2003	MS-Quad	M[2]	Standard
15	28 August 2012		MassBank GC 2010 Tsujimoto
4	19 July 2007	MS-TOF	VAR5	Reference Substance
5	01 May 2001	MS-TOF	M[EIGTMS]	Solanum tuberosum
6	22 February 2005	MS-TOF	M[STR]
7	19 January 2005	MS-QUAD	M[ROE]
9	12 October 2005	MS-TRAP	M[BAR]
10	01 March 2002	MS-Quad	M[2]	Standard
11	15 March 2005	MS-TOF	M[6]	Reference Substance
15 spectrum(a)
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Spectrum Details

analyte	Glucuronic acid (1MEOX) (5TMS) MP
analyte InChI	InChI=1S/C22H53NO7Si5/c1-25-23-17-18(26-31(2,3)4)19(27-32(5,6)7)20(28-33(8,9)10)21(29-34(11,12)13)22(24)30-35(14,15)16/h17-21H,1-16H3/b23-17+/t18-,19+,20-,21-/m0/s1
analyte mass	584.09
chromatogram	NA(_43)
citation
authors	Moritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date	25 January 2005
metabolite role	METB
retention time (sec)	338.1
retention index (VAR5 method, n-alkanes C10–C36)	1,923.47 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	188 intensities
minimal m/z	53
maximal m/z	425
download JCAMP DX	SpectrumJcampDx.ashx?id=1970ce8d-026c-4ee2-9c12-9341e2d6c5be
download MSP	SpectrumMsp.ashx?id=1970ce8d-026c-4ee2-9c12-9341e2d6c5be

GC-Method

name	M[MOR]
citation	Gullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatization	MEOX; TMS	METHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detector	MS-TOF	m/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extraction	methanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	none
RI	ALKANE	C12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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