• • home
  • search
• • ms analysis
    • library search
    • prediction
  • GoBioSpace
• • profile data
    • search
    • species
  • decision trees
  • data entities
    • analytes
    • metabolites
    • reference substances
    • chromatograms
  • web services
  • download
• • blog
  • thanks to
  • publications
  • imprint
  • privacy policy
  • contact
  • help

The GMD web site use latest HTML5 features! This message indicates backward compatibility problems in GMD's mass spectra, chemical compound structure and metabolite profile visualizations. As your browser does not support the HTML5 <canvas> element, please consider to upgrade to a HTML5 ready web browser, including Microsoft Internet Explorer, Mozilla Firefox, Apple Safari, Google Chrome and Opera, to fully enjoy GMD's functionalities!

How would you rate the quality of this mass spectrum?

poor, not helpful 

     

 outstanding, most helpful.

This spectrum was 0 times rated; on average=0.0

1

2

3

4

5

Maltotriitol (12TMS)

 

Reset Zoom _{zoom: click+drag; export spectrum in JCAMP-DX or NIST-MSP format; view png image}

This png spectrum visualization works for backward compatibility reasons only, as your browser does not support the HTML5 <canvas> element. To enjoy zoom-in functionality please upgrade to a HTML5 ready Browser!

Replica Mass Spectra of Maltotriitol (12TMS)

replica	lib entry date	detection	method	species
1	26 November 2004		M[FAME4090]	Standard
6	30 March 2011		Fiehn_GC_2010
4	19 July 2007	MS-TOF	MDN35	Reference Substance
3 spectrum(a)

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyte	Maltotriitol (12TMS)
analyte InChI	InChI=1S/C54H130O16Si12/c1-71(2,3)55-37-41-45(61-54-52(70-82(34,35)36)50(68-80(28,29)30)47(65-77(19,20)21)42(60-54)38-56-72(4,5)6)49(67-79(25,26)27)51(69-81(31,32)33)53(59-41)62-46(43(63-75(13,14)15)39-57-73(7,8)9)48(66-78(22,23)24)44(64-76(16,17)18)40-58-74(10,11)12/h41-54H,37-40H2,1-36H3/t41?,42-,43-,44+,45-,46?,47-,48-,49?,50+,51?,52-,53?,54?/m0/s1
analyte mass	1,372.63
chromatogram	6076if_20
citation	NA
authors	Kuczmierczyk M, Strehmel N, 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	10 June 2009
metabolite role
retention time (sec)	1,943.69
retention index (VAR5 method, n-alkanes C10–C36)	3,615.17 (observed)
base peak (m/z)	73
maximal intensity	469,394
mass-intensity-peaks cardinality	584 intensities
minimal m/z	45
maximal m/z	993
download JCAMP DX	SpectrumJcampDx.ashx?id=98ce850a-15c8-49a6-859e-a6534754866a
download MSP	SpectrumMsp.ashx?id=98ce850a-15c8-49a6-859e-a6534754866a

GC-Method

name	VAR5
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	OFFSET: "just above noise"; SMOOTHING: 20; PEAK WIDTH: 6; S/N: 2
derivatization	MEOX; TMS	METHOXYAMINATION: 90min at 30°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s; Pegasus III TOF mass spectrometer
extraction	water:chloroform	(2:1; v/v) 15min at 70°C
gas chromatograph	Agilent GC 6890
ion source	EI	70eV
mass spectrometry instrument	Pegasus III TOF mass spectrometer
metabolic inactivation	shock-frozen in liquid nitrogen
RI	ALKANE	C10, C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%phenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, 5PDM VF-5ms (Varian, Darmstadt, Germany); PROGRAM:iso1min 70°C, ramp 9°C/min, iso 5min 350°C; FLOW:Helium, 0.6mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

protocol	property	value
extraction	water chloroform	(2:1; v/v) 15min at 70°C
derivatization	derivatisation	METHOXYAMINATION, 90min at 30°C
derivatization	derivatisation	TRIMETHYLSILYLATION, 30min at 37°C
separation	Ion source temperature	250°C
separation	Column length	30+10m (analytical column + guard column)
separation	Column inner diameter	0.25mm
separation	Temperature program	isotherm 1min 70°C, ramp 9°C/min, isotherm 5min 350°C
ion source	electron ionization	70eV
detector	LECO instrument model	Pegasus III TOF mass spectrometer
detector	highest observed m/z	m/z = 600
detector	lowest observed m/z	m/z = 70
detector	sampling frequency	20 scans/s
detector	mass analyzer type	MS-TOF
deconvolution	moving average smoothing	20
deconvolution	software	ChromaTOF
deconvolution	signal-to-noise ratio	2
RI	Retention index	decane
RI	Retention index	dodecane
RI	Retention index	pentadecane
RI	Retention index	octadecane
RI	Retention index	nonadecane
RI	Retention index	docosane
RI	Retention index	octacosane
RI	Retention index	dotriacontane
RI	Retention index	hexatriacontane
Chromatography	Chromatography	Agilent GC 6890

comments on this mass spectrum

Post a Comment

Name:
Website:		Not a valid url!
Email:		Not a valid email adress!
Comments:
		*