• • 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!

text search

Enter your search string. Drop-down compound lists reflect GMD inventory. Search can be performed on different information types as listed below (Examples). Search returns score-sorted hits. For frequent use, you can add the GMD to your browser's list of OpenSearch providers.

This are the search results.

score	name	stereoisomer	isotopomer	formula	molecular mass	analyte	metabolite	reference substance
1000	Sarcosine		ambient	C3H7NO2	89.093
1000	carbamic acid ethyl ester (urethane)		ambient	C3H7NO2	89.093
1000	2-nitropropane		ambient	C3H7NO2	89.093
1000	Alanine	D-	ambient	C3H7NO2	89.093
1000	Alanine	DL-	ambient	C3H7NO2	89.093
1000	Alanine	L-	ambient	C3H7NO2	89.093
1000	beta-Alanine	L-	ambient	C3H7NO2	89.093
208	[94220] lactamide 2 [8.394]		ambient
208	[5641] carbamic acid ethyl ester (urethane) [6.361]		ambient
208	Sarcosine, 1-13C- (2TMS)		13C
17 hit(s)
Page of 2     Results per page: 5 10 25 50 100 500

posting data!

 Functional Group Search Label

To find compounds within the GMD based on functional groups automatically extracted by the matchmol/checkmol program, please move the functional groups from the listbox of all functional groups in the middle into either the included listbox (if including the functional group) or into the excluded listbox (if excluding the functional group).

included functional groups

groups available for filtering

excluded functional groups

 Examples Label

search for...

• compound Alanine
• CAS 338-69-2
• KEGG number C00133
• synonym Propanoic acid, 2-amino-
• molecular mass 89.093
• molecular mass 89
• sum formula C3H7NO2
• InChI InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
• InChIKey QNAYBMKLOCPYGJ-UWTATZPHSA-N