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Maltotriose (1MEOX) (11TMS) MP

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Replica Mass Spectra of Maltotriose (1MEOX) (11TMS) MP

replica	lib entry date	detection	method	species
1	01 February 2005	MS-TOF	M[6]	Reference Substance
2	19 July 2007	MS-TOF	MDN35	Reference Substance
16	28 August 2012		MassBank GC 2010 Tsujimoto
14	30 March 2011		Fiehn_GC_2010
4	01 December 2003	MS-Quad	M[2]	Standard
13	03 November 2010		Schomburg_GC_2010
6	26 November 2004		M[FAME4090]	Standard
15	28 August 2012		MassBank GC 2010 Kusano
17	28 August 2012		MassBank GC 2010 Ara
7	19 December 2003	MS-Quad	M[2]	Standard
15 spectrum(a)
Page of 2 Results per page:

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Spectrum Details

analyte	Maltotriose (1MEOX) (11TMS) MP
analyte InChI	InChI=1S/C52H123NO16Si11/c1-54-53-35-39(62-73(11,12)13)45(64-75(17,18)19)44(42(63-74(14,15)16)38-57-72(8,9)10)61-51-49(68-79(29,30)31)47(66-77(23,24)25)43(40(58-51)36-55-70(2,3)4)60-52-50(69-80(32,33)34)48(67-78(26,27)28)46(65-76(20,21)22)41(59-52)37-56-71(5,6)7/h35,39-52H,36-38H2,1-34H3
analyte mass	1,327.47
chromatogram	3161BN22
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)	2,922.9
retention index (VAR5 method, n-alkanes C10–C36)	3,529.17 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	204
maximal intensity	999
mass-intensity-peaks cardinality	175 intensities
minimal m/z	45
maximal m/z	586
download JCAMP DX	SpectrumJcampDx.ashx?id=96b776b3-1340-478f-bf1f-5bb96ea5eb09
download MSP	SpectrumMsp.ashx?id=96b776b3-1340-478f-bf1f-5bb96ea5eb09

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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