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Sophorose (1MEOX) (8TMS) BP

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Replica Mass Spectra of Sophorose (1MEOX) (8TMS) BP

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	Sophorose (1MEOX) (8TMS) BP
analyte InChI	InChI=1S/C37H89NO11Si8/c1-39-38-26-29(32(45-53(11,12)13)34(47-55(17,18)19)31(44-52(8,9)10)28-41-51(5,6)7)42-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(43-37)27-40-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26-/t29-,30+,31+,32+,33+,34+,35-,36+,37+/m0/s1
analyte mass	948.79
chromatogram	6075hf_52
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)	874.27
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	502,116
mass-intensity-peaks cardinality	557 intensities
minimal m/z	45
maximal m/z	999
download JCAMP DX	SpectrumJcampDx.ashx?id=af01e55b-48cd-458d-b4a3-5fc0f7302e5a
download MSP	SpectrumMsp.ashx?id=af01e55b-48cd-458d-b4a3-5fc0f7302e5a

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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