• • 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

Oxalic acid (2TMS)

 

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 Oxalic acid (2TMS)

replica	lib entry date	detection	method	species
1	01 September 2001	MS-Quad	M[2]	Standard Addition
2	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
3	19 July 2007	MS-TOF	VAR5	Reference Substance
16	28 August 2012		MassBank GC 2010 Ara
4	22 February 2005	MS-TOF	M[STR]
5	25 January 2005	MS-TOF	M[MOR]
6	11 September 2005		M[FAME4090]	Standard
7	11 September 2005		M[FAME4090]	Standard
13	30 March 2011		Fiehn_GC_2010
9	12 May 2005		M[NIST]
15 spectrum(a)
Page of 2     Results per page: 5 10 25 50 100 500

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

Spectrum Details

analyte	Oxalic acid (2TMS)
analyte InChI	InChI=1S/C8H18O4Si2/c1-13(2,3)11-7(9)8(10)12-14(4,5)6/h1-6H3
analyte mass	234.4
chromatogram	4126GX6
citation
authors	Liebig F, Erban A, 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	15 March 2005
metabolite role	METB
retention time (sec)	567.75
retention index (VAR5 method, n-alkanes C10–C36)	1,114.74 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	68 intensities
minimal m/z	70
maximal m/z	357
download JCAMP DX	SpectrumJcampDx.ashx?id=4cb4bba8-355d-4db0-9595-c6e2705f74c9
download MSP	SpectrumMsp.ashx?id=4cb4bba8-355d-4db0-9595-c6e2705f74c9

GC-Method

name	M[6]
citation	Erban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatization	MEOX; TMS	Methoxyamination:90min40°C; Trimethylsilylation:45min40°C
detector	MS-TOF	MZ:70-600; SCANS:20/s; Pegasus III 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, C18, 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, #525560 (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: