• • 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

Octacosane, n-

 

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 Octacosane, n-

replica	lib entry date	detection	method	species
1	01 September 2001	MS-Quad	M[2]	Standard Addition
2	22 February 2005	MS-TOF	M[STR]
11	27 June 2008	MS-TOF	VAR5	na
12	27 June 2008	MS-TOF	VAR5	na
10	23 June 2008	MS-TOF	VAR5	na
16	03 November 2010		Schomburg_GC_2010
3	01 May 2003	MS-Quad	M[2]	Spathodea campanulata P. Beauv.
15	03 February 2011	MS-TOF	VAR5
13	27 June 2008	MS-TOF	VAR5	na
6	01 April 2001	MS-TOF	M[EIGTMS]	Standard Addition
14 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	Octacosane, n-
analyte InChI	InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
analyte mass	394.76
chromatogram	1344EC05
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 November 2001
metabolite role	IS (RI05)
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	2,803.93 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	71
maximal intensity	999
mass-intensity-peaks cardinality	111 intensities
minimal m/z	70
maximal m/z	396
download JCAMP DX	SpectrumJcampDx.ashx?id=da599c21-14d4-495b-82aa-943e7849ad1f
download MSP	SpectrumMsp.ashx?id=da599c21-14d4-495b-82aa-943e7849ad1f

GC-Method

name	M[EIGTMS]
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detector	MS-TOF	MZ:70-600; SCANS:6/s; Pegasus II 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, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

comments on this mass spectrum

Post a Comment

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