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Loganin (5TMS)

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Replica Mass Spectra of Loganin (5TMS)

replica	lib entry date	detection	method	species
3	30 March 2011		Fiehn_GC_2010
2	19 July 2007	MS-TOF	VAR5	Reference Substance
2 spectrum(a)

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Spectrum Details

analyte	Loganin (5TMS)
analyte InChI	InChI=1S/C32H66O10Si5/c1-21-24(39-44(6,7)8)18-22-23(30(33)34-2)19-35-31(26(21)22)38-32-29(42-47(15,16)17)28(41-46(12,13)14)27(40-45(9,10)11)25(37-32)20-36-43(3,4)5/h19,21-22,24-29,31-32H,18,20H2,1-17H3/t21-,22+,24-,25+,26+,27+,28-,29+,31-,32-/m0/s1
analyte mass	751.29
chromatogram	6046hf_42
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
retention time (sec)	960.73
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	771,734
mass-intensity-peaks cardinality	530 intensities
minimal m/z	45
maximal m/z	999
download JCAMP DX	SpectrumJcampDx.ashx?id=670ff556-f958-450f-96d8-335128c92e34
download MSP	SpectrumMsp.ashx?id=670ff556-f958-450f-96d8-335128c92e34

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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