MALDI-MS Structure Elucidation Protocol

For structure elucidation MALDI-analysis, samples were mixed 1∶2 with 1 µl of a 20 mM 4-chloro-α-cyanocinnamic acid (ClCCA) in 70% ACN with 0.1% trifluoracetic acid (TFA) or 9-aminoacridin in acetone, spotted onto a polished stainless steel target and air-dried. MALDI-MS analysis was performed with a MALDI LTQ Orbitrap XL (Thermo Fisher Scientific, Inc., Waltham, MA) equipped with a nitrogen laser at 337 nm as described previously [25] (link)–[26] (link). Qual Browser (version 2.0.7; Thermo Fisher Scientific, Inc., Waltham, MA) was used for spectra analysis and to calculate possible sum formulas.

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Schöner T.A., Fuchs S.W., Reinhold-Hurek B, & Bode H.B. (2014). Identification and Biosynthesis of a Novel Xanthomonadin-Dialkylresorcinol-Hybrid from Azoarcus sp. BH72. PLoS ONE, 9(3), e90922.

Publication 2014

MALDI LTQ Orbitrap XL Qual Browser (version 2.0.7;

Acetone Acid Formulas Maldi Nitrogen laser Spectra analysis Stainless steel

Corresponding Organization :

Other organizations : Goethe University Frankfurt, University of Bremen

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Variable analysis

independent variables

Ratio of sample to matrix solution (1:2)

dependent variables

Mass spectrometry analysis (MALDI-MS)

control variables

Concentration of 4-chloro-α-cyanocinnamic acid (ClCCA) in 70% ACN with 0.1% trifluoracetic acid (TFA) or 9-aminoacridin in acetone
Volume of matrix solution (1 µl)
Deposition method (spotted onto a polished stainless steel target and air-dried)
MALDI-MS instrument (MALDI LTQ Orbitrap XL)
Laser wavelength (337 nm)

controls

No positive or negative controls were explicitly mentioned.

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