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Sucrose (8TMS)

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Replica Mass Spectra of Sucrose (8TMS)

replica	lib entry date	detection	method	species
1	22 February 2005	MS-TOF	M[STR]
40	28 August 2012		MassBank GC 2010 Kusano
2	12 October 2005	MS-TRAP	M[BAR]
4	25 January 2005	MS-TOF	M[MOR]
5	05 October 2004	MS-Quad	M[2]	Standard
36	17 March 2010	MS-TOF	VAR5	Brassica oleracea
6	26 November 2004		M[FAME4090]	Standard
7	15 March 2005	MS-TOF	M[6]	Reference Substance
38	03 November 2010		Schomburg_GC_2010
8	19 July 2007	MS-TOF	VAR5	Reference Substance
34 spectrum(a)
Page of 4 Results per page:

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Spectrum Details

analyte	Sucrose (8TMS)
analyte InChI	InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-28-30(43-51(10,11)12)32(45-53(16,17)18)33(46-54(19,20)21)35(40-28)42-36(27-39-50(7,8)9)34(47-55(22,23)24)31(44-52(13,14)15)29(41-36)26-38-49(4,5)6/h28-35H,25-27H2,1-24H3/t28-,29-,30-,31-,32+,33-,34+,35-,36+/m1/s1
analyte mass	919.75
chromatogram	6037hf_64
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	METB
retention time (sec)	823.19
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	1,351,824
mass-intensity-peaks cardinality	543 intensities
minimal m/z	45
maximal m/z	996
download JCAMP DX	SpectrumJcampDx.ashx?id=ecd5ba9f-0d33-4f10-b933-403fc180d465
download MSP	SpectrumMsp.ashx?id=ecd5ba9f-0d33-4f10-b933-403fc180d465

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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