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Inositol, allo- (6TMS)

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Replica Mass Spectra of Inositol, allo- (6TMS)

replica	lib entry date	detection	method	species
1	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
6	30 March 2011		Fiehn_GC_2010
2	19 July 2007	MS-TOF	VAR5	Reference Substance
3	12 May 2005		M[NIST]
4	26 November 2004		M[FAME4090]	Standard
5 spectrum(a)

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Spectrum Details

analyte	Inositol, allo- (6TMS)
analyte InChI	InChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3/t19-,20-,21-,22-,23-,24+
analyte mass	613.24
chromatogram	6060hf_61
citation
authors	Boelling C, Liebig F, Erban A, 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	19 July 2007
metabolite role	MST
retention time (sec)	536.03
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	146,977
mass-intensity-peaks cardinality	446 intensities
minimal m/z	45
maximal m/z	998
download JCAMP DX	SpectrumJcampDx.ashx?id=bc9768cc-6d7e-4fae-84af-d23567a50fbc
download MSP	SpectrumMsp.ashx?id=bc9768cc-6d7e-4fae-84af-d23567a50fbc

GC-Method

name	MDN35
citation	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany

attribute	text	details
deconvolution	ChromaTOF	BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s;
extraction	chloroform:dH2O	(2:1; v/v); chloroform (20°C); dH2O (4°C)
ion source	EI	70eV
RI	FAME, d6-Cholesterole	FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separation	GC	COLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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