commonMZ

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stanstrup

MZ_CAMERA -- Error in FUN(X, Y, ...) : object 'res' not found

3

Jan, first of all, thank you for the extremely useful package. I am experiencing problems when using the MZ_CAMERA function. I am not sure whether I am using it in...

etrh

Add maconda (additional) masses

4

stanstrup

https://github.com/stanstrup/chemhelper/tree/master/inst/extdata

stanstrup

http://www.metabolomics-forum.com/index.php?topic=1032.msg2966#msg2966

stanstrup

The book "Pretsch, Buļhlmann & Badertscher. Structure Determination of Organic Compounds: Tables of Spectral Data" contains a lot of fragment masses. They are nominal mass so should be calculated.

stanstrup

Sup info with MS2Analyzer paper: http://pubs.acs.org/doi/abs/10.1021/ac502818e

stanstrup