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

Aspartic acid, N-(3-indolylacetyl)- (3TMS)

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 Aspartic acid, N-(3-indolylacetyl)- (3TMS)

replica	lib entry date	detection	method	species
1	29 November 2003	MS-Quad	M[2]	Standard
2	01 December 2003	MS-Quad	M[2]	Standard
3	22 September 2004	MS-Quad	M[2]	Standard
5	19 July 2007	MS-TOF	MDN35	Reference Substance
6	19 July 2007	MS-TOF	VAR5	Reference Substance
5 spectrum(a)

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

Spectrum Details

analyte	Aspartic acid, N-(3-indolylacetyl)- (3TMS)
analyte InChI	InChI=1S/C23H38N2O5Si3/c1-31(2,3)25-16-17(18-12-10-11-13-20(18)25)14-21(26)24-19(23(28)30-33(7,8)9)15-22(27)29-32(4,5)6/h10-13,16,19H,14-15H2,1-9H3,(H,24,26)/t19-/m0/s1
analyte mass	506.82
chromatogram	3255BF23
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 December 2003
metabolite role	METB
retention time (sec)	2,470.44
retention index (VAR5 method, n-alkanes C10–C36)	2,808.67 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	202
maximal intensity	999
mass-intensity-peaks cardinality	49 intensities
minimal m/z	43
maximal m/z	508
download JCAMP DX	SpectrumJcampDx.ashx?id=97a7aefe-08f7-4f2c-8db6-948685ca6449
download MSP	SpectrumMsp.ashx?id=97a7aefe-08f7-4f2c-8db6-948685ca6449

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