DS Description
|
MS and MS/MS spectra were recorded by usin … MS and MS/MS spectra were recorded by using Hystar 3.0 software (Bruker Daltonik). Data were processed by using DataAnalysis 4.0 (Bruker Daltonik). The raw files were converted to netCDF (named HIFI_004 for A. sativum, 006 for A. fistulosum, and 008 for A. cepa). Peak selection was performed by using the theoretical mass difference (1.99579 ± 0.001 Da) between 32S-monoisotopic ions and their 34S-substituted counterparts and natural abundance of 34S (4.29 ± 5%). S-ions were extracted under the following conditions: mass tolerance, <1 mDa; retention time, 1–15 min. Signal intensity values of all ions were divided by the signal intensity value of the internal standard lidocaine for normalization. To obtain S-ions with redundant signal intensity, ions with an intensity <0.1 were eliminated. Peak alignment was conducted by using Progenesis CoMet (Nonlinear Dynamics). The software MeV 4.8 (http://www.tm4.org/mev.html) was used for hierarchical cluster analysis. Pearson's correlation analysis was used in this analysis. The elemental composition was calculated by using SmartFormula (Bruker Daltonik) with the following limiting conditions: <1 ppm; C0−50H0−100N0−5O0−50S0−5; charge, 1. ppm; C0−50H0−100N0−5O0−50S0−5; charge, 1.
|