Description Usage Arguments Author(s)
generate targeted MS/MS table for each compound
1 2 3 | generate_MSMS_table(com.name, ext.mass, mz = NULL, adduct = c("[M+H]",
"[M+Na]", "[M+NH4]", "[M-H]", "[M+HCOO]"), ce = 20, charge = 1, rt = 0,
delta.rt = 0.5, iso.width = c("Wide", "Medium", "Narrow"))
|
com.name |
Tompound name. |
ext.mass |
The exact mass of compound. |
mz |
The m/z value of adduct. If it inputted, the ext.mass will be replaced. Default: NULL |
adduct |
The adduct form to dissociation, including "[M+H]", "[M+Na]", "[M+NH4]","[M-H]", "[M+HCOO]" |
ce |
The collision energy. Default: 20V |
charge |
The charge form of ion. Default: 1 |
rt |
The rt range of targeted ion. Default: "" |
delta.rt |
The delta rt range. Default: "" |
iso.width |
The isolation window, including: "Wide", "Medium", "Narrow" |
Zhiwei Zhou zhouzw@sioc.ac.cn
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