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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]
8	25 January 2005	MS-TOF	M[MOR]
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(_27)
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authors	Barsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date	12 October 2005
metabolite role	METB
retention time (sec)	1,922.4
retention index (VAR5 method, n-alkanes C10–C36)	1,923.47 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	333
maximal intensity	999
mass-intensity-peaks cardinality	220 intensities
minimal m/z	54
maximal m/z	519
download JCAMP DX	SpectrumJcampDx.ashx?id=f8cf322c-793d-409e-beff-97d058aa923c
download MSP	SpectrumMsp.ashx?id=f8cf322c-793d-409e-beff-97d058aa923c

GC-Method

name	M[BAR]
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA
derivatization	MEOX; TMS	Methoxyamination:90min37°C; Trimethylsilylation:30min37°C
detector	MS-TRAP	MZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extraction	methanol:water (4:1; v/v); 70°C
ion source	EI	70eV
metabolic inactivation	filtration; liquid nitrogen; lyophilization
partitioning	none
RI	ALKANE	C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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