GOLM METABOLOME DATABASE

- home
- search
- ms analysis
  - library search
  - prediction
- GoBioSpace
- 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

Valine (2TMS)

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 Valine (2TMS)

replica	lib entry date	detection	method	species
1	12 June 2003	MS-Quad	M[2]	Arabidopsis thaliana
2	23 August 2005		M[FAME4090]
28	03 November 2010		Schomburg_GC_2010
3	01 September 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
4	22 February 2005	MS-TOF	M[STR]
5	19 July 2007	MS-TOF	VAR5	Reference Substance
6	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
7	12 May 2005		M[NIST]
8	15 March 2005	MS-TOF	M[6]	Reference Substance
34	05 June 2013		MRI_2013
31 spectrum(a)
Page of 4 Results per page:

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

Spectrum Details

analyte	Valine (2TMS)
analyte InChI	InChI=1S/C11H27NO2Si2/c1-9(2)10(12-15(3,4)5)11(13)14-16(6,7)8/h9-10,12H,1-8H3/t10-/m0/s1
analyte mass	261.51
chromatogram	2236BN30
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	01 August 2002
metabolite role	METB
retention time (sec)	828.42
retention index (VAR5 method, n-alkanes C10–C36)	1,207.43 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	144
maximal intensity	999
mass-intensity-peaks cardinality	40 intensities
minimal m/z	43
maximal m/z	246
download JCAMP DX	SpectrumJcampDx.ashx?id=76b2a5c2-55c6-492c-8852-219b884ae05b
download MSP	SpectrumMsp.ashx?id=76b2a5c2-55c6-492c-8852-219b884ae05b

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

comments on this mass spectrum

Post a Comment

Name:
Website:
Email:
Comments:
		*

Top