LOB_findMS2 | R Documentation |
This function allows the user to quickly search a rawSpec object for MS2 cooresponding to either an inputed m/z and retention time or search with multiple MS1 peaks at once by inputing a peaklist.
LOB_findMS2(XCMSnExp, peakdata = NULL, mz, rt, rtspan = 175, ppm_pre = 100)
XCMSnExp |
A |
peakdata |
A |
mz |
A single numeric vector equal to the m/z of a peak. |
rt |
A single numeric vector equal to the rt of a peak. |
rtspan |
A single numeric vector equal setting the retention time window around the peak 'rt' (defaults to ±175 seconds). |
ppm |
A single numeric vector equal setting the mass range around the peak 'm/z' for which to search for scans (defaults to ±100 ppm). |
Using the 'peakdata' argumnet overides the 'mz' and 'rt' arguments. Use 'peakdata' to search using multiple annotations at once. Use 'mz' and 'rt' to search with a single peak.
Returns a data.frame
or a list of data.frame
if multipule peaks were searched with at once.
Currently in development.
Henry Holm, hholm@mit.edu
Dan Lowenstien, dlowenstein@whoi.edu
Max Jahns, mjahns@mit.edu
Shavonna Bent, sbent@mit.edu
#Example - find MS2 of DNPPE
DNPPE_ms2 <- LOB_findMS2(XCMSnExp = rawSpec,
mz = 875.550487,
rt = 1000,
ppm = 2.5)
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