Can XCMS search Metlin using MS/MS spectra and provide a similarity score?
1
2
Entering edit mode
dannel025 ▴ 20
@dannel025-9710
Last seen 8.2 years ago

As a beginner in Metabolomics and R, I'm trying to identify hundreds of peaks generated by LC-MS/MS. The xcms package tutorial shows how to process tandem MS data, but no information on identification is given. Another helpful tutorial, named "XCMS2: A Howto"(https://masspec.scripps.edu/xcms/download/XCMS2_howto.pdf), mentioned a function called "searchMetlin", which is not included in xcms package(1.47.2). So it puzzles me and need help to get me through it or provide some suggestions on how to identify peaks using tandem MS information.

The details about my R environment are listed below:

> sessionInfo()
R version 3.2.3 (2015-12-10)
Platform: x86_64-w64-mingw32/x64 (64-bit)
Running under: Windows 7 x64 (build 7601) Service Pack 1

locale:
[1] LC_COLLATE=Chinese (Simplified)_People's Republic of China.936
[2] LC_CTYPE=Chinese (Simplified)_People's Republic of China.936   
[3] LC_MONETARY=Chinese (Simplified)_People's Republic of China.936
[4] LC_NUMERIC=C                                                   
[5] LC_TIME=Chinese (Simplified)_People's Republic of China.936    

attached base packages:
[1] parallel  stats     graphics  grDevices utils    
[6] datasets  methods   base     

other attached packages:
[1] xcms_1.47.2         Biobase_2.30.0     
[3] ProtGenerics_1.2.1  BiocGenerics_0.16.1
[5] mzR_2.4.0           Rcpp_0.12.3        

loaded via a namespace (and not attached):
[1] tools_3.2.3        RColorBrewer_1.1-2 codetools_0.2-14  
[4] grid_3.2.3         lattice_0.20-33   
>
xcms • 2.1k views
ADD COMMENT
0
Entering edit mode
@wssdandan2009-11216
Last seen 6.4 years ago

Have you resolved this problem now? Thank you~~

ADD COMMENT

Login before adding your answer.

Traffic: 921 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6