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Maltitol (9TMS)

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Replica Mass Spectra of Maltitol (9TMS)

replica	lib entry date	detection	method	species
1	11 September 2005		M[FAME4090]	Standard
2	01 July 2001	MS-Quad	M[2]	Standard
3	11 September 2005		M[FAME4090]	Standard
9	30 March 2011		Fiehn_GC_2010
5	25 January 2005	MS-TOF	M[MOR]
6	26 November 2004		M[FAME4090]	Standard
7	01 February 2005	MS-TOF	M[6]	Reference Substance
10	05 June 2013		MRI_2013
8	19 July 2007	MS-TOF	VAR5	Reference Substance
9 spectrum(a)

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Spectrum Details

analyte	Maltitol (9TMS)
analyte InChI	InChI=1S/C39H96O11Si9/c1-51(2,3)40-28-31-35(47-56(16,17)18)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)44-34(32(45-54(10,11)12)29-41-52(4,5)6)36(48-57(19,20)21)33(46-55(13,14)15)30-42-53(7,8)9/h31-39H,28-30H2,1-27H3/t31-,32-,33+,34-,35-,36-,37+,38-,39-/m1/s1
analyte mass	993.94
chromatogram	1288EC38
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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	01 October 2001
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	2,825.89 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	203 intensities
minimal m/z	70
maximal m/z	540
download JCAMP DX	SpectrumJcampDx.ashx?id=2a354308-4b31-490f-81b5-7f2d4bb90140
download MSP	SpectrumMsp.ashx?id=2a354308-4b31-490f-81b5-7f2d4bb90140

GC-Method

name	M[EIGTMS]
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detector	MS-TOF	MZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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