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

Squalene, all-trans-

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 Squalene, all-trans-

replica	lib entry date	detection	method	species
1	01 February 2005	MS-TOF	M[6]	Reference Substance
2	01 June 2003	MS-Quad	M[2]	Markhamia acuminata
3	19 July 2007	MS-TOF	MDN35	Reference Substance
4	25 January 2005	MS-TOF	M[MOR]
9	30 March 2011		Fiehn_GC_2010
5	26 November 2004		M[FAME4090]	Standard
6	01 October 2001	MS-TOF	M[EIGTMS]	Standard Addition
8	19 July 2007	MS-TOF	VAR5	Reference Substance
8 spectrum(a)

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

Spectrum Details

analyte	Squalene, all-trans-
analyte InChI	InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
analyte mass	410.72
chromatogram	1135EC32
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 May 2001
metabolite role	METB
retention time (sec)	1,054.86
retention index (VAR5 method, n-alkanes C10–C36)	2,824.48 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	81
maximal intensity	999
mass-intensity-peaks cardinality	43 intensities
minimal m/z	70
maximal m/z	233
download JCAMP DX	SpectrumJcampDx.ashx?id=b14d3af2-eecb-4a93-b647-c1f40ffaa544
download MSP	SpectrumMsp.ashx?id=b14d3af2-eecb-4a93-b647-c1f40ffaa544

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:
Email:
Comments:
		*

Top