• • 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

Butanoic acid, 4-amino- (3TMS)

 

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 Butanoic acid, 4-amino- (3TMS)

replica	lib entry date	detection	method	species
1	24 October 2003	MS-Quad	M[2]	Standard
4	26 November 2004		M[FAME4090]	Standard
29	28 August 2012		MassBank GC 2010 Ara
5	01 December 2003	MS-Quad	M[2]	Standard Addition
26	30 March 2011		Fiehn_GC_2010
30	28 August 2012		MassBank GC 2010 Ara
6	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
7	11 September 2005		M[FAME4090]	Standard
8	12 May 2005		M[NIST]
9	19 July 2007	MS-TOF	VAR5	Reference Substance
29 spectrum(a)
Page of 3     Results per page: 5 10 25 50 100 500

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

Spectrum Details

analyte	Butanoic acid, 4-amino- (3TMS)
analyte InChI	InChI=1S/C13H33NO2Si3/c1-17(2,3)14(18(4,5)6)12-10-11-13(15)16-19(7,8)9/h10-12H2,1-9H3
analyte mass	319.66
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)	1,250.94
retention index (VAR5 method, n-alkanes C10–C36)	1,527.45 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	174
maximal intensity	999
mass-intensity-peaks cardinality	68 intensities
minimal m/z	41
maximal m/z	307
download JCAMP DX	SpectrumJcampDx.ashx?id=f9bb239d-1bc2-4084-910b-069406ff0c90
download MSP	SpectrumMsp.ashx?id=f9bb239d-1bc2-4084-910b-069406ff0c90

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: