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!

Details of Kestose, 1- (11TMS)

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

Role	Analyte
name	Kestose, 1- (11TMS)
MPIMP ID	A340003
isotopomer	ambient
formula	C51H120O16Si11
molecular mass	1,298.430
monoisotopic mass	1,296.60384
InChI	InChI=1S/C51H120O16Si11/c1-68(2,3)53-34-39-42(61-72(13,14)15)45(64-75(22,23)24)46(65-76(25,26)27)49(57-39)60-51(48(67-78(31,32)33)44(63-74(19,20)21)41(59-51)36-55-70(7,8)9)37-52-50(38-56-71(10,11)12)47(66-77(28,29)30)43(62-73(16,17)18)40(58-50)35-54-69(4,5)6/h39-49H,34-38H2,1-33H3/t39?,40?,41?,42-,43-,44?,45+,46-,47+,48+,49-,50-,51+/m1/s1
InChIKey	SWHJUYJGRRIDPF-KALYOVKASA-N
substructure TMS	11
substructure TBS	0
substructure H3ON	0
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)	3,361.28
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%275578b0ab-daa3-4dc7-80a9-321065427188%27)

Synonyms of Kestose, 1- (11TMS)

property	value
no synonym(s) available!

Metabolite mapped to Kestose, 1- (11TMS)

metabolite	stereoisomer	isotopomer
Kestose, 1-		ambient
1 metabolite(s)

Reference spectra of Kestose, 1- (11TMS)

replica	entry date	method	species
15	1/22/2010 2:48:45 PM	VAR5
13	1/22/2010 2:32:32 PM	VAR5	Arabidopsis thaliana
8	12/14/2009 4:40:00 PM	VAR5	Arabidopsis thaliana
2	1/22/2005 12:00:00 AM	M[ROE]
18	8/28/2012 5:51:49 PM	MassBank GC 2010 Tsujimoto
3	11/26/2004 12:00:00 AM	M[FAME4090]	Standard
14	1/22/2010 2:45:37 PM	VAR5	Arabidopsis thaliana
5	8/1/2001 12:00:00 AM	M[2]	Standard
17	1/22/2010 2:52:43 PM	VAR5
6	7/19/2007 11:16:30 AM	VAR5	Reference Substance
16 spectrum(a)
Page of 2 Results per page:

compound timestamp information
deposited	at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Kopka J., Hummel J.

Show all analytes

Top