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 1 times rated; on average=3.0

Pyroglutamic acid (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 Pyroglutamic acid (2TMS)

replica	lib entry date	detection	method	species
35	28 August 2012		MassBank GC 2010 Tsujimoto
2	12 May 2005		M[NIST]
4	26 November 2004		M[FAME4090]	Standard
5	01 September 2001	MS-Quad	M[2]	Standard Addition
32	30 March 2011		Fiehn_GC_2010
6	01 October 2001	MS-TOF	M[EIGTMS]	Standard Addition
8	01 February 2005	MS-TOF	M[6]	Reference Substance
9	01 June 2001	MS-TOF	M[EIGTMS]	Standard
10	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
11	12 May 2005		M[NIST]
30 spectrum(a)
Page of 3 Results per page:

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

Spectrum Details

analyte	Pyroglutamic acid (2TMS)
analyte InChI	InChI=1S/C11H23NO3Si2/c1-16(2,3)12-9(7-8-10(12)13)11(14)15-17(4,5)6/h9H,7-8H2,1-6H3
analyte mass	273.48
chromatogram	2236BN40
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-METB
retention time (sec)	1,248.84
retention index (VAR5 method, n-alkanes C10–C36)	1,520.32 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	156
maximal intensity	999
mass-intensity-peaks cardinality	47 intensities
minimal m/z	41
maximal m/z	273
download JCAMP DX	SpectrumJcampDx.ashx?id=99083bfc-0c12-4517-b13f-16600dc27ebb
download MSP	SpectrumMsp.ashx?id=99083bfc-0c12-4517-b13f-16600dc27ebb

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