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Trehalose, alpha,alpha'-, D- (8TMS)

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Replica Mass Spectra of Trehalose, alpha,alpha'-, D- (8TMS)

replica	lib entry date	detection	method	species
1	19 January 2005	MS-QUAD	M[ROE]
2	12 October 2005	MS-TRAP	M[BAR]
3	11 September 2005		M[FAME4090]	Standard
5	22 February 2005	MS-TOF	M[STR]
6	01 December 2002	MS-Quad	M[2]	Cucurbita pepo
7	01 December 2002	MS-Quad	M[2]	Medicago truncatula Gaertn.
25	28 August 2012		MassBank GC 2010 Tsujimoto
28	28 August 2012		MassBank GC 2010 Ara
29	28 August 2012		MassBank GC 2010 Ara
8	11 September 2005		M[FAME4090]	Standard
28 spectrum(a)
Page of 3 Results per page:

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Spectrum Details

analyte	Trehalose, alpha,alpha'-, D- (8TMS)
analyte InChI	InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-27-29(42-50(7,8)9)31(44-52(13,14)15)33(46-54(19,20)21)35(39-27)41-36-34(47-55(22,23)24)32(45-53(16,17)18)30(43-51(10,11)12)28(40-36)26-38-49(4,5)6/h27-36H,25-26H2,1-24H3
analyte mass	919.75
chromatogram	3161BN25
citation	Schauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
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	12 June 2003
metabolite role	METB
retention time (sec)	2,410.86
retention index (VAR5 method, n-alkanes C10–C36)	2,733.35 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	361
maximal intensity	999
mass-intensity-peaks cardinality	122 intensities
minimal m/z	43
maximal m/z	463
download JCAMP DX	SpectrumJcampDx.ashx?id=ebaadb88-dcaf-4445-84a1-2504ae43e5b8
download MSP	SpectrumMsp.ashx?id=ebaadb88-dcaf-4445-84a1-2504ae43e5b8

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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