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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]
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
9	19 July 2007	MS-TOF	MDN35	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	3225BF29
citation
authors	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	05 October 2004
metabolite role	METB
retention time (sec)	2,325.72
retention index (VAR5 method, n-alkanes C10–C36)	2,632.34 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	361
maximal intensity	999
mass-intensity-peaks cardinality	287 intensities
minimal m/z	41
maximal m/z	565
download JCAMP DX	SpectrumJcampDx.ashx?id=7ebd55f2-a4ef-4ec5-bf6e-201be581d353
download MSP	SpectrumMsp.ashx?id=7ebd55f2-a4ef-4ec5-bf6e-201be581d353

GC-Method

name	M[2]
citation	Roessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detector	MS-Quad	m/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extraction	methanol:water (4:1; v/v); 15min70°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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