• • 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

Putrescine (4TMS)

 

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 Putrescine (4TMS)

replica	lib entry date	detection	method	species
27	30 March 2011		Fiehn_GC_2010
2	11 September 2005		M[FAME4090]	Standard
4	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
5	11 September 2005		M[FAME4090]	Standard
6	26 November 2004		M[FAME4090]	Standard
7	01 February 2005	MS-TOF	M[6]	Reference Substance
8	19 January 2005	MS-QUAD	M[ROE]
9	26 November 2004		M[FAME4090]	Standard
10	19 July 2007	MS-TOF	VAR5	Reference Substance
28	28 August 2012		MassBank GC 2010 Kusano
27 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	Putrescine (4TMS)
analyte InChI	InChI=1S/C16H44N2Si4/c1-19(2,3)17(20(4,5)6)15-13-14-16-18(21(7,8)9)22(10,11)12/h13-16H2,1-12H3
analyte mass	376.88
chromatogram	4253GX64
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	01 February 2005
metabolite role	METB-METB
retention time (sec)	1,066.04
retention index (VAR5 method, n-alkanes C10–C36)	1,738.49 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	99 intensities
minimal m/z	70
maximal m/z	378
download JCAMP DX	SpectrumJcampDx.ashx?id=e4116d66-de3c-4a90-ae5a-2366e0a6d765
download MSP	SpectrumMsp.ashx?id=e4116d66-de3c-4a90-ae5a-2366e0a6d765

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:		Not a valid url!
Email:		Not a valid email adress!
Comments:
		*