changeset 4:87570e9b71f5 draft

planemo upload commit 9d47e3b467dbbe0af0d90a937c5e9f2c4b958c4b
author lecorguille
date Mon, 25 Apr 2016 11:07:23 -0400
parents 4ca5c7bbc6cf
children 65770fbcb319
files CAMERA.r README.rst abims_CAMERA_combinexsAnnos.xml lib.r macros.xml planemo.sh planemo_test.sh repository_dependencies.xml test-data/faahOK.xset.group.retcor.group.fillPeaks.annotate.negative.Rdata test-data/faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.Rdata test-data/faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv test-data/xset.group.retcor.group.fillPeaks.annotate.negative.Rdata test-data/xset.group.retcor.group.fillPeaks.annotate.positive.Rdata test-data/xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv tool_dependencies.xml
diffstat 15 files changed, 582 insertions(+), 482 deletions(-) [+]
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CAMERA.r	Mon Apr 25 11:07:23 2016 -0400
@@ -0,0 +1,175 @@
+#!/usr/bin/env Rscript
+# CAMERA.r version="2.2.1"
+
+
+
+# ----- PACKAGE -----
+cat("\tPACKAGE INFO\n")
+
+setRepositories(graphics=F, ind=31)
+
+#pkgs=c("xcms","batch")
+pkgs=c("parallel","BiocGenerics", "Biobase", "Rcpp", "mzR", "xcms","snow","igraph","CAMERA","multtest","batch")
+for(p in pkgs) {
+  suppressPackageStartupMessages(suppressWarnings(library(p, quietly=TRUE, logical.return=TRUE, character.only=TRUE)))
+  cat(p,"\t",as.character(packageVersion(p)),"\n",sep="")
+}
+source_local <- function(fname){ argv <- commandArgs(trailingOnly = FALSE); base_dir <- dirname(substring(argv[grep("--file=", argv)], 8)); source(paste(base_dir, fname, sep="/")) }
+
+cat("\n\n"); 
+
+
+
+# ----- ARGUMENTS -----
+cat("\tARGUMENTS INFO\n")
+
+listArguments = parseCommandArgs(evaluate=FALSE) #interpretation of arguments given in command line as an R list of objects
+write.table(as.matrix(listArguments), col.names=F, quote=F, sep='\t')
+
+cat("\n\n");
+
+
+# ----- PROCESSING INFILE -----
+cat("\tINFILE PROCESSING INFO\n")
+
+#image is an .RData file necessary to use xset variable given by previous tools
+if (!is.null(listArguments[["image"]])){
+  load(listArguments[["image"]]); listArguments[["image"]]=NULL
+}
+
+if (listArguments[["xfunction"]] %in% c("combinexsAnnos")) {
+  load(listArguments[["image_pos"]])
+  xaP=xa
+  listOFlistArgumentsP=listOFlistArguments
+  if (exists("xsAnnotate_object")) xaP=xsAnnotate_object
+  
+  diffrepP=NULL
+  if (exists("diffrep")) diffrepP=diffrep
+
+  load(listArguments[["image_neg"]])
+  xaN=xa
+  listOFlistArgumentsN=listOFlistArguments
+  if (exists("xsAnnotate_object")) xaN=xsAnnotate_object
+
+  diffrepN=NULL
+  if (exists("diffrep")) diffrepN=diffrep
+}
+
+
+cat("\n\n")
+
+
+# ----- ARGUMENTS PROCESSING -----
+cat("\tARGUMENTS PROCESSING INFO\n")
+
+# Save arguments to generate a report
+if (!exists("listOFlistArguments")) listOFlistArguments=list()
+listOFlistArguments[[paste(format(Sys.time(), "%y%m%d-%H:%M:%S_"),listArguments[["xfunction"]],sep="")]] = listArguments
+
+
+#saving the commun parameters
+thefunction = listArguments[["xfunction"]]
+listArguments[["xfunction"]]=NULL #delete from the list of arguments
+
+xsetRdataOutput = paste(thefunction,"RData",sep=".")
+if (!is.null(listArguments[["xsetRdataOutput"]])){
+  xsetRdataOutput = listArguments[["xsetRdataOutput"]]; listArguments[["xsetRdataOutput"]]=NULL
+}
+
+rplotspdf = "Rplots.pdf"
+if (!is.null(listArguments[["rplotspdf"]])){
+  rplotspdf = listArguments[["rplotspdf"]]; listArguments[["rplotspdf"]]=NULL
+}
+
+dataMatrixOutput = "dataMatrix.tsv"
+if (!is.null(listArguments[["dataMatrixOutput"]])){
+  dataMatrixOutput = listArguments[["dataMatrixOutput"]]; listArguments[["dataMatrixOutput"]]=NULL
+}
+
+variableMetadataOutput = "variableMetadata.tsv"
+if (!is.null(listArguments[["variableMetadataOutput"]])){
+  variableMetadataOutput = listArguments[["variableMetadataOutput"]]; listArguments[["variableMetadataOutput"]]=NULL
+}
+
+if (!is.null(listArguments[["new_file_path"]])){
+  new_file_path = listArguments[["new_file_path"]]; listArguments[["new_file_path"]]=NULL
+}
+
+#Import the different functions
+source_local("lib.r")
+
+#necessary to unzip .zip file uploaded to Galaxy
+#thanks to .zip file it's possible to upload many file as the same time conserving the tree hierarchy of directories
+
+
+if (!is.null(listArguments[["zipfile"]])){
+  zipfile= listArguments[["zipfile"]]; listArguments[["zipfile"]]=NULL
+}
+
+# We unzip automatically the chromatograms from the zip files.
+if (thefunction %in% c("annotatediff"))  {
+  if(exists("zipfile") && (zipfile!="")) {
+    if(!file.exists(zipfile)){
+      error_message=paste("Cannot access the Zip file:",zipfile,". Please, contact your administrator ... if you have one!")
+      print(error_message)
+      stop(error_message)
+    }
+
+    #unzip
+    suppressWarnings(unzip(zipfile, unzip="unzip"))
+
+    #get the directory name
+    filesInZip=unzip(zipfile, list=T); 
+    directories=unique(unlist(lapply(strsplit(filesInZip$Name,"/"), function(x) x[1])));
+    directories=directories[!(directories %in% c("__MACOSX")) & file.info(directories)$isdir]
+    directory = "."
+    if (length(directories) == 1) directory = directories
+    
+    cat("files_root_directory\t",directory,"\n")
+  }
+}
+
+
+
+#addition of xset object to the list of arguments in the first position
+if (exists("xset") != 0){
+  listArguments=append(list(xset), listArguments)
+}
+
+cat("\n\n")
+
+
+
+
+# ----- PROCESSING INFO -----
+cat("\tMAIN PROCESSING INFO\n")
+
+#change the default display settings
+pdf(file=rplotspdf, width=16, height=12)
+
+
+if (thefunction %in% c("annotatediff")) {
+  results_list=annotatediff(xset=xset,listArguments=listArguments,variableMetadataOutput=variableMetadataOutput,dataMatrixOutput=dataMatrixOutput,new_file_path=new_file_path)
+  xa=results_list[["xa"]]
+  diffrep=results_list[["diffrep"]]
+  variableMetadata=results_list[["variableMetadata"]]
+
+  cat("\n\n")
+  cat("\tXSET OBJECT INFO\n")
+  print(xa)
+}
+
+if (thefunction %in% c("combinexsAnnos")) {
+  cAnnot=combinexsAnnos_function(xaP=xaP,xaN=xaN,listOFlistArgumentsP=listOFlistArgumentsP,listOFlistArgumentsN=listOFlistArgumentsN,diffrepP=diffrepP,diffrepN=diffrepN,convert_param=listArguments[["convert_param"]],pos=listArguments[["pos"]],tol=listArguments[["tol"]],ruleset=listArguments[["ruleset"]],keep_meta=listArguments[["keep_meta"]],variableMetadataOutput=variableMetadataOutput)
+}
+
+dev.off()
+
+
+#saving R data in .Rdata file to save the variables used in the present tool
+objects2save = c("xa","variableMetadata","diffrep","cAnnot","listOFlistArguments","zipfile")
+save(list=objects2save[objects2save %in% ls()], file=xsetRdataOutput)
+
+cat("\n\n")
+
+cat("\tDONE\n")
--- a/README.rst	Mon Feb 22 16:49:04 2016 -0500
+++ b/README.rst	Mon Apr 25 11:07:23 2016 -0400
@@ -2,6 +2,11 @@
 Changelog/News
 --------------
 
+**Version 2.0.4 - 21/04/2016**
+
+- UPGRADE: upgrate the CAMERA version from 1.22.0 to 1.26.0
+
+
 **Version 2.0.3 - 10/02/2016**
 
 - BUGFIX: better management of errors. Datasets remained green although the process failed
@@ -20,3 +25,12 @@
 
 - NEW: combinexsAnnos Check CAMERA ion species annotation due to matching with opposite ion mode 
 
+
+Test Status
+-----------
+
+Planemo test using conda: passed
+
+Planemo test using source env.sh: passed
+
+Planemo shed_test : passed
--- a/abims_CAMERA_combinexsAnnos.xml	Mon Feb 22 16:49:04 2016 -0500
+++ b/abims_CAMERA_combinexsAnnos.xml	Mon Apr 25 11:07:23 2016 -0400
@@ -1,21 +1,16 @@
-<tool id="abims_CAMERA_combinexsAnnos" name="CAMERA.combinexsAnnos" version="2.0.3">
+<tool id="abims_CAMERA_combinexsAnnos" name="CAMERA.combinexsAnnos" version="2.0.4">
 
     <description>Wrapper function for the combinexsAnnos CAMERA function. Returns a dataframe with recalculated annotations.</description>
     
-    <requirements>
-        <requirement type="package" version="3.1.2">R</requirement>
-        <requirement type="binary">Rscript</requirement>
-        <requirement type="package" version="1.44.0">xcms</requirement>
-        <requirement type="package" version="1.22.0">camera</requirement>
-        <requirement type="package" version="2.2.0">camera_w4m_script</requirement>
-    </requirements>
+    <macros>
+        <import>macros.xml</import>
+    </macros>
 
-    <stdio>
-        <exit_code range="1:" level="fatal" />
-    </stdio>
+    <expand macro="requirements"/>
+    <expand macro="stdio"/>
 
     <command><![CDATA[
-        CAMERA.r 
+        @COMMAND_CAMERA_SCRIPT@
         xfunction combinexsAnnos 
         image_pos $image_pos 
         image_neg $image_neg
@@ -52,31 +47,19 @@
     <tests>
         <test>
             <!-- TODO: generer des vrais dataset pos et neg-->
-            <param name="image_pos" value="xset.group.retcor.group.fillPeaks.annotate.positive.Rdata"/>
-            <param name="image_neg" value="xset.group.retcor.group.fillPeaks.annotate.negative.Rdata"/>
+            <param name="image_pos" value="faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.Rdata"/>
+            <param name="image_neg" value="faahOK.xset.group.retcor.group.fillPeaks.annotate.negative.Rdata"/>
             <param name="pos" value="TRUE"/>
             <param name="tol" value="2"/>
             <param name="ruleset" value="1,1"/>
-            <output name="variableMetadata" file="xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv" />
+            <output name="variableMetadata" file="faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv" />
         </test>
     </tests>
     
     
     <help><![CDATA[
-
-.. class:: infomark
-
-**Authors** Carsten Kuhl ckuhl@ipb-halle.de, Ralf Tautenhahn rtautenh@scripps.edu, Steffen Neumann sneumann@@ipb-halle.de
-
-.. class:: infomark
-
-**Galaxy integration** ABiMS TEAM - UPMC/CNRS - Station biologique de Roscoff and Yann Guitton yann.guitton@univ-nantes.fr - part of Workflow4Metabolomics.org [W4M]
-
- | Contact support@workflow4metabolomics.org for any questions or concerns about the Galaxy implementation of this tool.
-
----------------------------------------------------
-
-
+        
+@HELP_AUTHORS@
 
 =======================
 Xcms.combinexsAnnos
@@ -209,6 +192,11 @@
 Changelog/News
 --------------
 
+**Version 2.0.4 - 21/04/2016**
+
+- UPGRADE: upgrate the CAMERA version from 1.22.0 to 1.26.0
+
+
 **Version 2.0.3 - 10/02/2016**
 
 - BUGFIX: better management of errors. Datasets remained green although the process failed
@@ -230,10 +218,7 @@
 
     ]]></help>
 
-    <citations>
-        <citation type="doi"> 10.1021/ac202450g</citation>
-        <citation type="doi">10.1093/bioinformatics/btu813</citation>
-    </citations>
+    <expand macro="citation" />
 
 
 </tool>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib.r	Mon Apr 25 11:07:23 2016 -0400
@@ -0,0 +1,188 @@
+# lib.r version="2.2.1"
+
+#The function create a pdf from the different png generated by diffreport
+diffreport_png2pdf <- function(filebase, new_file_path) {
+
+  pdfEicOutput = paste(new_file_path,filebase,"-eic_visible_pdf",sep="")
+  pdfBoxOutput = paste(new_file_path,filebase,"-box_visible_pdf",sep="")
+
+  system(paste("gm convert ",filebase,"_eic/*.png ",filebase,"_eic.pdf",sep=""))
+  system(paste("gm convert ",filebase,"_box/*.png ",filebase,"_box.pdf",sep=""))
+
+  file.copy(paste(filebase,"_eic.pdf",sep=""), pdfEicOutput)
+  file.copy(paste(filebase,"_box.pdf",sep=""), pdfBoxOutput)
+}
+
+#The function annotateDiffreport without the corr function which bugs
+annotatediff <- function(xset=xset, listArguments=listArguments, variableMetadataOutput="variableMetadata.tsv", dataMatrixOutput="dataMatrix.tsv",new_file_path=NULL) {
+  # Resolve the bug with x11, with the function png
+  options(bitmapType='cairo')
+
+  #Check if the fillpeaks step has been done previously, if it hasn't, there is an error message and the execution is stopped.
+  res=try(is.null(xset@filled))
+
+  # ------ annot -------
+  listArguments[["calcCiS"]]=as.logical(listArguments[["calcCiS"]])
+  listArguments[["calcIso"]]=as.logical(listArguments[["calcIso"]])
+  listArguments[["calcCaS"]]=as.logical(listArguments[["calcCaS"]])
+
+  #graphMethod parameter bugs where this parameter is not defined in quick=true
+  if(listArguments[["quick"]]==TRUE) {
+    xa= annotate(object=xset,nSlaves=1,sigma=listArguments[["sigma"]],perfwhm=listArguments[["perfwhm"]],maxcharge=listArguments[["maxcharge"]],maxiso=listArguments[["maxiso"]],minfrac=listArguments[["minfrac"]],ppm=listArguments[["ppm"]],mzabs=listArguments[["mzabs"]],quick=listArguments[["quick"]],polarity=listArguments[["polarity"]],max_peaks=listArguments[["max_peaks"]],intval=listArguments[["intval"]])
+  }
+  else {
+    xa= annotate(object=xset,nSlaves=1,sigma=listArguments[["sigma"]],perfwhm=listArguments[["perfwhm"]],graphMethod=listArguments[["graphMethod"]],cor_eic_th=listArguments[["cor_eic_th"]],pval=listArguments[["pval"]],calcCiS=listArguments[["calcCiS"]],calcIso=listArguments[["calcIso"]],calcCaS=listArguments[["calcCaS"]],multiplier=listArguments[["multiplier"]],maxcharge=listArguments[["maxcharge"]],maxiso=listArguments[["maxiso"]],minfrac=listArguments[["minfrac"]],ppm=listArguments[["ppm"]],mzabs=listArguments[["mzabs"]],quick=listArguments[["quick"]],polarity=listArguments[["polarity"]],max_peaks=listArguments[["max_peaks"]],intval=listArguments[["intval"]])
+
+  }  
+  peakList=getPeaklist(xa,intval=listArguments[["intval"]])
+  peakList=cbind(groupnames(xa@xcmsSet),peakList); colnames(peakList)[1] = c("name");
+
+
+  # --- Multi condition : diffreport --- 
+  diffrep=NULL
+  if (!is.null(listArguments[["runDiffreport"]]) & nlevels(sampclass(xset))>=2) {
+    #Check if the fillpeaks step has been done previously, if it hasn't, there is an error message and the execution is stopped.
+    res=try(is.null(xset@filled))
+    classes=levels(sampclass(xset))
+    x=1:(length(classes)-1)
+    for (i in seq(along=x) ) {
+      y=1:(length(classes))
+      for (n in seq(along=y)){
+        if(i+n <= length(classes)){
+          filebase=paste(classes[i],class2=classes[i+n],sep="-vs-")
+
+          diffrep=diffreport(object=xset,class1=classes[i],class2=classes[i+n],filebase=filebase,eicmax=listArguments[["eicmax"]],eicwidth=listArguments[["eicwidth"]],sortpval=TRUE,value=listArguments[["value"]],h=listArguments[["h"]],w=listArguments[["w"]],mzdec=listArguments[["mzdec"]])
+          #combines results
+          diffreportTSV=merge(peakList, diffrep[,c("name","fold","tstat","pvalue")], by.x="name", by.y="name", sort=F)
+          diffreportTSV=cbind(diffreportTSV[,!(colnames(diffreportTSV) %in% c(sampnames(xa@xcmsSet)))],diffreportTSV[,(colnames(diffreportTSV) %in% c(sampnames(xa@xcmsSet)))])
+
+          if(listArguments[["sortpval"]]){
+            diffreportTSV=diffreportTSV[order(diffreportTSV$pvalue), ]
+          }
+    
+          if (listArguments[["convert_param"]]){
+              #converting the retention times (seconds) into minutes
+              diffreportTSV$rt=diffreportTSV$rt/60;diffreportTSV$rtmin=diffreportTSV$rtmin/60; diffreportTSV$rtmax=diffreportTSV$rtmax/60;
+          }
+          write.table(diffreportTSV, sep="\t", quote=FALSE, row.names=FALSE, file=paste(new_file_path,filebase,"-tabular_visible_tabular",sep=""))
+
+          if (listArguments[["eicmax"]] != 0) {
+              diffreport_png2pdf(filebase, new_file_path)
+          }
+        }
+      }
+    }
+  }
+
+
+
+
+  # --- variableMetadata ---
+  variableMetadata=peakList[,!(make.names(colnames(peakList)) %in% c(make.names(sampnames(xa@xcmsSet))))]
+  # if we have 2 conditions, we keep stat of diffrep
+  if (!is.null(listArguments[["runDiffreport"]]) & nlevels(sampclass(xset))==2) {
+    variableMetadata = merge(variableMetadata, diffrep[,c("name","fold","tstat","pvalue")],by.x="name", by.y="name", sort=F)
+    if(exists("listArguments[[\"sortpval\"]]")){
+      variableMetadata=variableMetadata[order(variableMetadata$pvalue), ]
+    }
+  }
+
+  variableMetadataOri=variableMetadata
+  if (listArguments[["convert_param"]]){
+    #converting the retention times (seconds) into minutes
+    print("converting the retention times into minutes in the variableMetadata")
+    variableMetadata$rt=variableMetadata$rt/60;variableMetadata$rtmin=variableMetadata$rtmin/60; variableMetadata$rtmax=variableMetadata$rtmax/60;
+  }
+  #Transform metabolites name
+  variableMetadata$name= paste("M",round(variableMetadata$mz,digits=listArguments[["num_digits"]]),"T",round(variableMetadata$rt),sep="")    
+  write.table(variableMetadata, sep="\t", quote=FALSE, row.names=FALSE, file=variableMetadataOutput)
+
+  # --- dataMatrix ---
+  dataMatrix = peakList[,(make.names(colnames(peakList)) %in% c(make.names(sampnames(xa@xcmsSet))))]
+  dataMatrix=cbind(peakList$name,dataMatrix); colnames(dataMatrix)[1] = c("name");
+
+  if (listArguments[["convert_param"]]){
+    #converting the retention times (seconds) into minutes
+    print("converting the retention times into minutes in the dataMatrix ids")
+    peakList$rt=peakList$rt/60
+  }
+  dataMatrix$name= paste("M",round(peakList$mz,digits=listArguments[["num_digits"]]),"T",round(peakList$rt),sep="")
+  write.table(dataMatrix, sep="\t", quote=FALSE, row.names=FALSE, file=dataMatrixOutput)
+  
+  return(list("xa"=xa,"diffrep"=diffrep,"variableMetadata"=variableMetadataOri));
+
+}
+
+
+combinexsAnnos_function <- function(xaP, xaN, listOFlistArgumentsP,listOFlistArgumentsN, diffrepP=NULL,diffrepN=NULL,convert_param=FALSE,pos=TRUE,tol=2,ruleset=NULL,keep_meta=TRUE, variableMetadataOutput="variableMetadata.tsv"){
+
+  #Load the two Rdata to extract the xset objects from positive and negative mode
+  cat("\tObject xset from positive mode\n")
+  print(xaP)
+  cat("\n")  
+
+  cat("\tObject xset from negative mode\n")
+  print(xaN)
+  cat("\n")
+    
+  cat("\n")
+  cat("\tCombining...\n")
+  #Convert the string to numeric for creating matrix
+  row=as.numeric(strsplit(ruleset,",")[[1]][1])
+  column=as.numeric(strsplit(ruleset,",")[[1]][2])
+  ruleset=cbind(row,column)
+  #Test if the file comes from an older version tool
+  if ((!is.null(xaP)) & (!is.null(xaN))) {
+    #Launch the combinexsannos function from CAMERA
+    cAnnot=combinexsAnnos(xaP, xaN,pos=pos,tol=tol,ruleset=ruleset)
+  } else {
+    stop("You must relauch the CAMERA.annotate step with the lastest version.")
+  }
+
+  
+
+  if(pos){
+    xa=xaP
+    listOFlistArgumentsP=listOFlistArguments
+    mode="neg. Mode"
+  } else {
+    xa=xaN
+    listOFlistArgumentsN=listOFlistArguments
+    mode="pos. Mode"
+  }
+  intval = "into"; for (steps in names(listOFlistArguments)) { if (!is.null(listOFlistArguments[[steps]]$intval)) intval = listOFlistArguments[[steps]]$intval }
+  peakList=getPeaklist(xa,intval=intval)
+  peakList=cbind(groupnames(xa@xcmsSet),peakList); colnames(peakList)[1] = c("name");
+  variableMetadata=cbind(peakList, cAnnot[, c("isotopes", "adduct", "pcgroup",mode)]);
+  variableMetadata=variableMetadata[,!(colnames(variableMetadata) %in% c(sampnames(xa@xcmsSet)))]
+
+  #Test if there are more than two classes (conditions)
+  if ( nlevels(sampclass(xaP@xcmsSet))==2 & (!is.null(diffrepN)) & (!is.null(diffrepP))) {
+    diffrepP = diffrepP[,c("name","fold","tstat","pvalue")]; colnames(diffrepP) = paste("P.",colnames(diffrepP),sep="")
+    diffrepN = diffrepN[,c("name","fold","tstat","pvalue")]; colnames(diffrepN) = paste("N.",colnames(diffrepN),sep="")
+    
+    variableMetadata = merge(variableMetadata, diffrepP, by.x="name", by.y="P.name")
+    variableMetadata = merge(variableMetadata, diffrepN, by.x="name", by.y="N.name")
+  } 
+    
+  rownames(variableMetadata) = NULL
+  #TODO: checker
+  #colnames(variableMetadata)[1:2] = c("name","mz/rt");
+
+  #If the user want to convert the retention times (seconds) into minutes.
+  if (listArguments[["convert_param"]]){
+    #converting the retention times (seconds) into minutes
+    cat("\tConverting the retention times into minutes\n")
+    variableMetadata$rtmed=cAnnot$rt/60; variableMetadata$rtmin=cAnnot$rtmin/60; variableMetadata$rtmax=cAnnot$rtmax/60;
+  }
+
+  #If the user want to keep only the metabolites which match a difference
+  if(keep_meta){
+    variableMetadata=variableMetadata[variableMetadata[,c(mode)]!="",]
+  }
+      
+  #Write the output into a tsv file
+  write.table(variableMetadata, sep="\t", quote=FALSE, row.names=FALSE, file=variableMetadataOutput)
+  return(variableMetadata);
+
+}
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Mon Apr 25 11:07:23 2016 -0400
@@ -0,0 +1,46 @@
+<?xml version="1.0"?>
+<macros>
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="3.1.2">R</requirement>
+	    <requirement type="package" version="0.4_1">r-snow</requirement>
+            <requirement type="package" version="1.26.0">bioconductor-camera</requirement>
+            <requirement type="package" version="2.26.0">bioconductor-multtest</requirement>
+	    <requirement type="package" version="1.1_4">r-batch</requirement>
+            <requirement type="package" version="1.6.17">libpng</requirement>
+            <requirement type="package" version="1.3.20">graphicsmagick</requirement>
+        </requirements>
+    </xml>
+    <xml name="stdio">
+        <stdio>
+            <exit_code range="1" level="fatal" />
+        </stdio>
+    </xml>
+
+    <token name="@COMMAND_CAMERA_SCRIPT@">
+        LANG=C Rscript $__tool_directory__/CAMERA.r
+    </token>
+
+    <token name="@HELP_AUTHORS@">
+.. class:: infomark
+
+**Authors**  Colin A. Smith csmith@scripps.edu, Ralf Tautenhahn rtautenh@gmail.com, Steffen Neumann sneumann@ipb-halle.de, Paul Benton hpaul.benton08@imperial.ac.uk and Christopher Conley cjconley@ucdavis.edu 
+
+.. class:: infomark
+
+**Galaxy integration** ABiMS TEAM - UPMC/CNRS - Station biologique de Roscoff and Yann Guitton yann.guitton@oniris-nantes.fr - part of Workflow4Metabolomics.org [W4M]
+
+ | Contact support@workflow4metabolomics.org for any questions or concerns about the Galaxy implementation of this tool.
+
+---------------------------------------------------
+
+    </token>
+
+
+    <xml name="citation">
+        <citations>
+            <citation type="doi">10.1021/ac202450g</citation>
+            <citation type="doi">10.1093/bioinformatics/btu813</citation>
+        </citations>
+    </xml>
+</macros>
--- a/planemo.sh	Mon Feb 22 16:49:04 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,1 +0,0 @@
-planemo shed_init -f --name=camera_combinexsannos --owner=lecorguille --description="[W4M][GC-MS] CAMERA R Package - Preprocessing - combinexsAnnos Check CAMERA ion species annotation due to matching with opposite ion mode" --homepage_url="http://workflow4metabolomics.org" --long_description="Part of the W4M project: http://workflow4metabolomics.org CAMERA: http://bioconductor.org/packages/release/bioc/html/CAMERA.html This function check annotations of ion species with the help of a sample from opposite ion mode. As first step it searches for pseudospectra from the positive and the negative sample within a retention time window. For every result the m/z differences between both samples are matched against specific rules, which are combinations from pos. and neg. ion species. As example M+H and M-H with a m/z difference of 2.014552. If two ions matches such a difference, the ion annotations are changed (previous annotation is wrong), confirmed or added. Returns the peaklist from one ion mode with recalculated annotations. BEWARE: this tool don't come with its script. You will need to install the dedicated package_camara_w4m_script too" --category="Metabolomics"
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/planemo_test.sh	Mon Apr 25 11:07:23 2016 -0400
@@ -0,0 +1,19 @@
+# Example of planemo command to launch test
+
+# Note: --galaxy_branch "dev" is set to deal with zip file
+
+
+# -- Use of conda dependencies
+planemo conda_init --conda_prefix /tmp/mc
+planemo conda_install --conda_prefix /tmp/mc . 
+planemo test --install_galaxy --conda_prefix /tmp/mc --conda_dependency_resolution --galaxy_branch "dev"
+
+#All 1 test(s) executed passed.
+#abims_CAMERA_combinexsAnnos[0]: passed
+
+
+# -- Use of shed_test
+planemo shed_test --install_galaxy -t testtoolshed
+
+#All 1 test(s) executed passed.
+#testtoolshed.g2.bx.psu.edu/repos/mmonsoor/camera_combinexsannos/abims_CAMERA_combinexsAnnos/2.0.4[0]: passed
--- a/repository_dependencies.xml	Mon Feb 22 16:49:04 2016 -0500
+++ b/repository_dependencies.xml	Mon Apr 25 11:07:23 2016 -0400
@@ -1,4 +1,5 @@
 <?xml version="1.0"?>
 <repositories>
 	<repository changeset_revision="4a51ab3d8ecf" name="rdata_camera_datatypes" owner="lecorguille" toolshed="https://toolshed.g2.bx.psu.edu" />
+	<repository changeset_revision="d64562a4ebb3" name="rdata_xcms_datatypes" owner="lecorguille" toolshed="https://toolshed.g2.bx.psu.edu" />
 </repositories>
Binary file test-data/faahOK.xset.group.retcor.group.fillPeaks.annotate.negative.Rdata has changed
Binary file test-data/faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.Rdata has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv	Mon Apr 25 11:07:23 2016 -0400
@@ -0,0 +1,116 @@
+name	mz	mzmin	mzmax	rt	rtmin	rtmax	npeaks	KO	WT	isotopes	adduct	pcgroup	isotopes.1	adduct.1	pcgroup.1	neg. Mode
+M208T3291	207.800003051758	207.800003051758	207.800003051758	3291.29196703023	3291.29196703023	3291.29196703023	1	1	0			2102		[M+H]+ 206.793	2102	Found [M+H]+/[M-H]-
+M210T3110	210.199996948242	210.199996948242	210.199996948242	3110.11088685014	3110.11088685014	3110.11088685014	1	1	0			5340		[M+H]+ 209.193	5340	Found [M+H]+/[M-H]-
+M228T3846	228.199996948242	228.199996948242	228.199996948242	3846.02686621606	3844.71679072309	3847.33694170903	2	1	1		[M+H-C6H8O6]+ 403.216 [M+2H-NH3]2+ 471.41	21		[M+H]+ 227.193	21	Found [M+H]+/[M-H]-
+M235T3976	234.900009155273	234.900009155273	234.900009155273	3976.03175698205	3976.03175698205	3976.03175698205	1	0	1			2000		[M+H]+ 233.893	2000	Found [M+H]+/[M-H]-
+M236T3873	236.199996948242	236.199996948242	236.199996948242	3872.50458166888	3872.50458166888	3872.50458166888	1	0	1			2733		[M+H]+ 235.193	2733	Found [M+H]+/[M-H]-
+M238T2755	238.199996948242	238.199996948242	238.199996948242	2754.64826033204	2754.64826033204	2754.64826033204	1	0	1			4595		[M+H]+ 237.193	4595	Found [M+H]+/[M-H]-
+M239T4130	239	239	239	4130.33844192957	4130.33844192957	4130.33844192957	1	0	1			1473		[M+H]+ 237.993	1473	Found [M+H]+/[M-H]-
+M250T4052	250.199996948242	250.199996948242	250.199996948242	4051.60950608857	4051.60950608857	4051.60950608857	1	1	0			77		[M+H]+ 249.193	77	Found [M+H]+/[M-H]-
+M258T3448	258.200012207031	258.200012207031	258.200012207031	3448.2651342683	3446.56346688244	3449.96680165415	2	1	1			2922		[M+H]+ 257.193	2922	Found [M+H]+/[M-H]-
+M261T2686	261.200012207031	261.200012207031	261.200012207031	2685.68075810517	2685.68075810517	2685.68075810517	1	0	1			640		[M+H]+ 260.193	640	Found [M+H]+/[M-H]-
+M266T3323	266.399993896484	266.399993896484	266.399993896484	3322.77149725563	3322.77149725563	3322.77149725563	1	0	1			16		[M+H]+ 265.393	16	Found [M+H]+/[M-H]-
+M275T2920	275.200012207031	275.200012207031	275.200012207031	2920.28496696996	2920.28496696996	2920.28496696996	1	0	1			2868		[M+H]+ 274.193	2868	Found [M+H]+/[M-H]-
+M276T3867_1	275.899993896484	275.899993896484	275.899993896484	3866.89893599656	3866.89893599656	3866.89893599656	1	1	0			21		[M+H]+ 274.893	21	Found [M+H]+/[M-H]-
+M276T2603	276.200012207031	276.200012207031	276.200012207031	2602.85397459635	2602.85397459635	2602.85397459635	1	1	0			5243		[M+H]+ 275.193	5243	Found [M+H]+/[M-H]-
+M284T3653	284.100006103516	284.100006103516	284.100006103516	3652.85708680252	3652.85708680252	3652.85708680252	1	1	0		[M+H-CH3]+ 298.114	47		[M+H]+ 283.093	47	Found [M+H]+/[M-H]-
+M287T4128	287.100006103516	287.100006103516	287.100006103516	4128.44542811787	4128.44542811787	4128.44542811787	1	1	0			23		[M+H]+ 286.093	23	Found [M+H]+/[M-H]-
+M304T3912	304	304	304	3911.73383581848	3911.73383581848	3911.73383581848	1	0	1			4817		[M+H]+ 302.993	4817	Found [M+H]+/[M-H]-
+M304T2622	304	304	304	2621.82968780046	2621.82968780046	2621.82968780046	1	0	1			2642		[M+H]+ 302.993	2642	Found [M+H]+/[M-H]-
+M310T3484	310.200012207031	310.200012207031	310.200012207031	3483.91470694154	3483.91470694154	3483.91470694154	1	1	0		[M+H-H20]+ 327.208	31		[M+H]+ 309.193	31	Found [M+H]+/[M-H]-
+M311T3667	311.200012207031	311.200012207031	311.200012207031	3667.39351291676	3667.39351291676	3667.39351291676	1	1	0		[M+H]+ 310.189	2		[M+H]+ 310.189	2	Found [M+H]+/[M-H]-
+M317T4122	317	317	317	4122.17726376076	4122.17726376076	4122.17726376076	1	1	0			1716		[M+H]+ 315.993	1716	Found [M+H]+/[M-H]-
+M319T3963	319.300018310547	319.300018310547	319.300018310547	3963.24477198361	3963.24477198361	3963.24477198361	1	0	1			1982		[M+H]+ 318.293	1982	Found [M+H]+/[M-H]-
+M326T3910	326.300018310547	326.300018310547	326.300018310547	3910.16592439504	3910.16592439504	3910.16592439504	1	0	1			4822		[M+H]+ 325.293	4822	Found [M+H]+/[M-H]-
+M329T3539	329	329	329	3538.57945160982	3538.57945160982	3538.57945160982	1	0	1			1952		[M+H]+ 327.993	1952	Found [M+H]+/[M-H]-
+M330T3500	330.200012207031	330.200012207031	330.200012207031	3500.20040677211	3496.75308645138	3503.64772709283	2	1	1		[2M+Na+K]2+ 299.215	76		[M+H]+ 329.193	76	Found [M+H]+/[M-H]-
+M333T3521	333	333	333	3520.57714024828	3520.57714024828	3520.57714024828	1	0	1			368		[M+H]+ 331.993	368	Found [M+H]+/[M-H]-
+M341T3309	341.200012207031	341.200012207031	341.200012207031	3308.58072998214	3308.58072998214	3308.58072998214	1	0	1			4		[M+H]+ 340.193	4	Found [M+H]+/[M-H]-
+M341T4172	341.399993896484	341.399993896484	341.399993896484	4172.42311655854	4172.42311655854	4172.42311655854	1	1	0			4369		[M+H]+ 340.393	4369	Found [M+H]+/[M-H]-
+M342T3038	342.300018310547	342.300018310547	342.300018310547	3038.15131755569	3038.15131755569	3038.15131755569	1	0	1			3220		[M+H]+ 341.293	3220	Found [M+H]+/[M-H]-
+M345T3788	345	345	345	3788.06929478123	3788.06929478123	3788.06929478123	1	0	1			4445		[M+H]+ 343.993	4445	Found [M+H]+/[M-H]-
+M348T3493	348.200012207031	348.200012207031	348.200012207031	3493.19473595505	3488.78600287563	3495.99683372091	3	1	2			31		[M+H]+ 347.193	31	Found [M+H]+/[M-H]-
+M349T4038	348.899993896484	348.899993896484	348.899993896484	4038.4655434023	4038.4655434023	4038.4655434023	1	0	1			3765		[M+H]+ 347.893	3765	Found [M+H]+/[M-H]-
+M350T3215	350	350	350	3214.6396934876	3214.6396934876	3214.6396934876	1	1	0			4315		[M+H]+ 348.993	4315	Found [M+H]+/[M-H]-
+M350T3484	350.200012207031	350.200012207031	350.200012207031	3484.15058009239	3484.15058009239	3484.15058009239	1	0	1	[41][M]+	[M+Na]+ 327.208	31	[41][M]+	[M+H]+ 349.193	31	Found [M+H]+/[M-H]-
+M354T4176	354.300018310547	354.300018310547	354.300018310547	4176.48836940693	4176.48836940693	4176.48836940693	1	0	1			4388		[M+H]+ 353.293	4388	Found [M+H]+/[M-H]-
+M361T3500	361	361	361	3499.90373818767	3499.90373818767	3499.90373818767	1	1	0			3374		[M+H]+ 359.993	3374	Found [M+H]+/[M-H]-
+M362T3394	362.300018310547	362.300018310547	362.300018310547	3394.46678522768	3394.46678522768	3394.46678522768	1	0	1			502		[M+H]+ 361.293	502	Found [M+H]+/[M-H]-
+M363T3890	363	363	363	3889.77519285019	3889.77519285019	3889.77519285019	1	0	1			2235		[M+H]+ 361.993	2235	Found [M+H]+/[M-H]-
+M369T4287	369.100006103516	369.100006103516	369.100006103516	4286.86322276304	4286.86322276304	4286.86322276304	1	1	0			6094		[M+H]+ 368.093	6094	Found [M+H]+/[M-H]-
+M371T4218	371.300018310547	371.300018310547	371.300018310547	4217.96617539246	4217.96617539246	4217.96617539246	1	1	0			5327		[M+H]+ 370.293	5327	Found [M+H]+/[M-H]-
+M372T4221	372.300018310547	372.300018310547	372.300018310547	4221.33434899811	4221.33434899811	4221.33434899811	1	0	1			5985		[M+H]+ 371.293	5985	Found [M+H]+/[M-H]-
+M375T2994	375.200012207031	375.200012207031	375.200012207031	2994.06985896253	2994.06985896253	2994.06985896253	1	0	1			32		[M+H]+ 374.193	32	Found [M+H]+/[M-H]-
+M378T3345	377.899993896484	377.899993896484	377.899993896484	3344.8775026371	3344.8775026371	3344.8775026371	1	1	0			802		[M+H]+ 376.893	802	Found [M+H]+/[M-H]-
+M396T4099	396.300018310547	396.300018310547	396.300018310547	4098.66503647187	4098.66503647187	4098.66503647187	2	1	0			150		[M+H]+ 395.293	150	Found [M+H]+/[M-H]-
+M399T3288	399	399	399	3287.55118520376	3287.55118520376	3287.55118520376	1	0	1			2111		[M+H]+ 397.993	2111	Found [M+H]+/[M-H]-
+M404T2691	404.100006103516	404.100006103516	404.100006103516	2690.57128216482	2690.57128216482	2690.57128216482	1	0	1		[M+H-H20]+ 421.11	6		[M+H]+ 403.093	6	Found [M+H]+/[M-H]-
+M406T3575	406	406	406	3574.63014348789	3574.63014348789	3574.63014348789	1	0	1			1668		[M+H]+ 404.993	1668	Found [M+H]+/[M-H]-
+M408T3956	408.300018310547	408.300018310547	408.300018310547	3955.84913291293	3955.84913291293	3955.84913291293	1	1	0			5459		[M+H]+ 407.293	5459	Found [M+H]+/[M-H]-
+M413T4059	413	413	413	4059.4167690378	4059.4167690378	4059.4167690378	1	0	1			4700		[M+H]+ 411.993	4700	Found [M+H]+/[M-H]-
+M415T3626	415.200012207031	415.200012207031	415.200012207031	3625.889727528	3625.889727528	3625.889727528	1	1	0			26		[M+H]+ 414.193	26	Found [M+H]+/[M-H]-
+M418T3317	418.399993896484	418.399993896484	418.399993896484	3316.91873178114	3316.91873178114	3316.91873178114	1	0	1			539		[M+H]+ 417.393	539	Found [M+H]+/[M-H]-
+M420T4187	420.399993896484	420.399993896484	420.399993896484	4186.55782122692	4186.55782122692	4186.55782122692	1	1	0			6064		[M+H]+ 419.393	6064	Found [M+H]+/[M-H]-
+M424T3310	424.399993896484	424.399993896484	424.399993896484	3310.1554922049	3310.1554922049	3310.1554922049	1	0	1			541		[M+H]+ 423.393	541	Found [M+H]+/[M-H]-
+M440T4055	440.300018310547	440.300018310547	440.300018310547	4055.33424681125	4054.35262823827	4056.31586538424	2	2	0		[M+H]+ 439.295	77		[M+H]+ 439.295	77	Found [M+H]+/[M-H]-
+M441T4111	441.100006103516	441.100006103516	441.100006103516	4111.42132545829	4111.42132545829	4111.42132545829	1	0	1		[M+K]+ 402.132	43		[M+H]+ 440.093	43	Found [M+H]+/[M-H]-
+M441T4127_2	441.100006103516	441.100006103516	441.100006103516	4126.89956529202	4126.89956529202	4126.89956529202	1	0	1		[M+Na]+ 418.1	23		[M+H]+ 440.093	23	Found [M+H]+/[M-H]-
+M443T3159	443	443	443	3158.51557850104	3158.51557850104	3158.51557850104	1	1	0			838		[M+H]+ 441.993	838	Found [M+H]+/[M-H]-
+M445T4143	444.899993896484	444.899993896484	444.899993896484	4142.9532295589	4142.9532295589	4142.9532295589	1	0	1			4236		[M+H]+ 443.893	4236	Found [M+H]+/[M-H]-
+M446T2893	446.200012207031	446.200012207031	446.200012207031	2892.58722465327	2892.58722465327	2892.58722465327	1	1	0		[M+Na]+ 423.211	95		[M+H]+ 445.193	95	Found [M+H]+/[M-H]-
+M447T4144	446.899993896484	446.899993896484	446.899993896484	4143.9632134336	4143.9632134336	4143.9632134336	1	0	1			5839		[M+H]+ 445.893	5839	Found [M+H]+/[M-H]-
+M447T4119	447.100006103516	447.100006103516	447.100006103516	4119.30268860621	4119.30268860621	4119.30268860621	1	0	1			120		[M+H]+ 446.093	120	Found [M+H]+/[M-H]-
+M453T3745	453.100006103516	453.100006103516	453.100006103516	3745.49127859189	3745.49127859189	3745.49127859189	1	1	0		[M+H]+ 452.1	14		[M+H]+ 452.1	14	Found [M+H]+/[M-H]-
+M461T3139	461.100006103516	461.100006103516	461.100006103516	3139.30178915582	3139.30178915582	3139.30178915582	1	0	1		[2M+Na+K-H]+ 200.089	67		[M+H]+ 460.093	67	Found [M+H]+/[M-H]-
+M462T2597	461.899993896484	461.899993896484	461.899993896484	2596.59397459635	2596.59397459635	2596.59397459635	1	1	0			2880		[M+H]+ 460.893	2880	Found [M+H]+/[M-H]-
+M465T4110	465.100006103516	465.100006103516	465.100006103516	4109.84516095031	4106.73892937947	4109.84516095031	3	0	2		[M+H-CO]+ 492.092	43		[M+H]+ 464.093	43	Found [M+H]+/[M-H]-
+M469T4110	469	469	469	4109.84004353069	4109.84004353069	4109.84004353069	1	0	1			43		[M+H]+ 467.993	43	Found [M+H]+/[M-H]-
+M482T3312	482.200012207031	482.200012207031	482.200012207031	3311.84592526338	3310.1554922049	3320.00602941677	3	1	2			4		[M+H]+ 481.193	4	Found [M+H]+/[M-H]-
+M486T3726_2	486	486	486	3725.70378168979	3723.46990095085	3727.93766242873	2	1	1			4683		[M+H]+ 484.993	4683	Found [M+H]+/[M-H]-
+M486T3654	486.100006103516	486.100006103516	486.100006103516	3654.3034227609	3654.3034227609	3654.3034227609	1	0	1			2410		[M+H]+ 485.093	2410	Found [M+H]+/[M-H]-
+M493T2872	493	493	493	2872.43169931851	2872.43169931851	2872.43169931851	1	0	1			4766		[M+H]+ 491.993	4766	Found [M+H]+/[M-H]-
+M494T3069	494.300018310547	494.300018310547	494.300018310547	3069.1084825778	3069.1084825778	3069.1084825778	1	1	0			48		[M+H]+ 493.293	48	Found [M+H]+/[M-H]-
+M495T3465	495	495	495	3465.11864061023	3465.11864061023	3465.11864061023	1	1	0			1283		[M+H]+ 493.993	1283	Found [M+H]+/[M-H]-
+M518T3975	518	518	518	3975.06650309073	3975.06650309073	3975.06650309073	1	1	0			2059		[M+H]+ 516.993	2059	Found [M+H]+/[M-H]-
+M520T4132	520.400024414062	520.400024414062	520.400024414062	4131.5173144866	4131.5173144866	4131.5173144866	1	1	0		[M+H]+ 519.397	23		[M+H]+ 519.397	23	Found [M+H]+/[M-H]-
+M522T2525	522	522	522	2524.60597459635	2524.60597459635	2524.60597459635	1	1	0		[M+H]+ 520.991	5042		[M+H]+ 520.991	5042	Found [M+H]+/[M-H]-
+M528T4044	528.299987792969	528.299987792969	528.299987792969	4043.65478609327	4043.65478609327	4043.65478609327	1	0	1			106		[M+H]+ 527.293	106	Found [M+H]+/[M-H]-
+M534T2893_1	534	534	534	2893.43940086615	2893.43940086615	2893.43940086615	1	0	1			95		[M+H]+ 532.993	95	Found [M+H]+/[M-H]-
+M534T3169	534.299987792969	534.299987792969	534.299987792969	3169.25148487446	3169.25148487446	3169.25148487446	1	1	0			791		[M+H]+ 533.293	791	Found [M+H]+/[M-H]-
+M539T2671	538.900024414062	538.900024414062	538.900024414062	2671.01298815173	2671.01298815173	2671.01298815173	1	1	0			4057		[M+H]+ 537.893	4057	Found [M+H]+/[M-H]-
+M541T2916	541.200012207031	541.200012207031	541.200012207031	2915.96882550519	2915.96882550519	2915.96882550519	1	1	0			56		[M+H]+ 540.193	56	Found [M+H]+/[M-H]-
+M542T4146	542.5	542.5	542.5	4145.51429793861	4145.51429793861	4145.51429793861	1	0	1			219		[M+H]+ 541.493	219	Found [M+H]+/[M-H]-
+M545T3858	545	545	545	3857.79163814401	3857.79163814401	3857.79163814401	1	1	0			1418		[M+H]+ 543.993	1418	Found [M+H]+/[M-H]-
+M546T3196	546.200012207031	546.200012207031	546.200012207031	3196.03297484936	3194.01201990731	3198.0539297914	2	1	1		[M+H]+ 545.2	30		[M+H]+ 545.2	30	Found [M+H]+/[M-H]-
+M546T3373	546.299987792969	546.299987792969	546.299987792969	3372.50532490707	3372.50532490707	3372.50532490707	1	0	1			1591		[M+H]+ 545.293	1591	Found [M+H]+/[M-H]-
+M547T2882	546.900024414062	546.900024414062	546.900024414062	2881.52679761665	2881.52679761665	2881.52679761665	1	1	0			131		[M+H]+ 545.893	131	Found [M+H]+/[M-H]-
+M547T2930	546.900024414062	546.900024414062	546.900024414062	2929.96472679346	2929.96472679346	2929.96472679346	1	0	1			3632		[M+H]+ 545.893	3632	Found [M+H]+/[M-H]-
+M548T4180_2	548.100036621094	548.100036621094	548.100036621094	4180.12028828767	4180.12028828767	4180.12028828767	1	1	0			6024		[M+H]+ 547.093	6024	Found [M+H]+/[M-H]-
+M551T3507	551.100036621094	551.100036621094	551.100036621094	3507.17741350176	3507.17741350176	3507.17741350176	1	1	0			76		[M+H]+ 550.093	76	Found [M+H]+/[M-H]-
+M552T3631	552.299987792969	552.299987792969	552.299987792969	3630.7372705795	3630.7372705795	3630.7372705795	1	0	1			2359		[M+H]+ 551.293	2359	Found [M+H]+/[M-H]-
+M552T3836	552.400024414062	552.400024414062	552.400024414062	3835.51794589405	3835.51794589405	3835.51794589405	1	0	1			3360		[M+H]+ 551.393	3360	Found [M+H]+/[M-H]-
+M552T2806	552.5	552.5	552.5	2805.77058037431	2805.77058037431	2805.77058037431	1	0	1			154		[M+H]+ 551.493	154	Found [M+H]+/[M-H]-
+M555T2628	554.799987792969	554.799987792969	554.799987792969	2628.03802468566	2628.03802468566	2628.03802468566	1	1	0			2677		[M+H]+ 553.793	2677	Found [M+H]+/[M-H]-
+M560T3524	560.100036621094	560.100036621094	560.100036621094	3524.45539948538	3524.45539948538	3524.45539948538	1	1	0			363		[M+H]+ 559.093	363	Found [M+H]+/[M-H]-
+M561T3500	560.900024414062	560.900024414062	560.900024414062	3499.5907337547	3499.5907337547	3499.5907337547	1	0	1			3396		[M+H]+ 559.893	3396	Found [M+H]+/[M-H]-
+M566T2712	566	566	566	2712.46713466996	2712.46713466996	2712.46713466996	1	1	0			2531		[M+H]+ 564.993	2531	Found [M+H]+/[M-H]-
+M567T2630	566.799987792969	566.799987792969	566.799987792969	2629.63309270258	2629.63309270258	2629.63309270258	1	1	0			2685		[M+H]+ 565.793	2685	Found [M+H]+/[M-H]-
+M570T3689	570.5	570.5	570.5	3689.29376228834	3689.29376228834	3689.29376228834	1	0	1			617		[M+H]+ 569.493	617	Found [M+H]+/[M-H]-
+M572T2893	571.600036621094	571.600036621094	571.600036621094	2892.58722465327	2892.58722465327	2892.58722465327	1	1	0			95		[M+H]+ 570.593	95	Found [M+H]+/[M-H]-
+M574T2913	573.700012207031	573.700012207031	573.700012207031	2912.8908895169	2912.8908895169	2912.8908895169	1	1	0		[M+H]+ 572.692	56		[M+H]+ 572.692	56	Found [M+H]+/[M-H]-
+M575T2527	574.700012207031	574.700012207031	574.700012207031	2527.16708488001	2527.16708488001	2527.16708488001	1	0	1			5962		[M+H]+ 573.693	5962	Found [M+H]+/[M-H]-
+M578T2852	578.299987792969	578.299987792969	578.299987792969	2852.41195305107	2849.90816808503	2854.91573801711	2	1	1			111		[M+H]+ 577.293	111	Found [M+H]+/[M-H]-
+M578T3834	578.400024414062	578.400024414062	578.400024414062	3834.20284641246	3834.20284641246	3834.20284641246	1	1	0			3346		[M+H]+ 577.393	3346	Found [M+H]+/[M-H]-
+M580T3296	579.5	579.5	579.5	3296.04055494637	3296.04055494637	3296.04055494637	1	1	0			2610		[M+H]+ 578.493	2610	Found [M+H]+/[M-H]-
+M582T3848_2	582.5	582.5	582.5	3847.90453079719	3847.90453079719	3847.90453079719	1	1	0		[M+H]+ 581.493	21		[M+H]+ 581.493	21	Found [M+H]+/[M-H]-
+M583T3496	583	583	583	3496.27878193711	3496.27878193711	3496.27878193711	1	1	0			3516		[M+H]+ 581.993	3516	Found [M+H]+/[M-H]-
+M583T2581	583.400024414062	583.400024414062	583.400024414062	2581.23728676082	2581.23728676082	2581.23728676082	1	1	0			5692		[M+H]+ 582.393	5692	Found [M+H]+/[M-H]-
+M584T2539	584.400024414062	584.400024414062	584.400024414062	2538.69097459635	2538.69097459635	2538.69097459635	1	1	0			5558		[M+H]+ 583.393	5558	Found [M+H]+/[M-H]-
+M586T2762	585.900024414062	585.900024414062	585.900024414062	2761.59491820405	2761.59491820405	2761.59491820405	1	1	0			94		[M+H]+ 584.893	94	Found [M+H]+/[M-H]-
+M592T4176	591.5	591.5	591.5	4175.56395558154	4175.56395558154	4175.56395558154	1	1	0			115		[M+H]+ 590.493	115	Found [M+H]+/[M-H]-
+M593T3448	593.299987792969	593.299987792969	593.299987792969	3448.42769567721	3448.42769567721	3448.42769567721	1	0	1			2939		[M+H]+ 592.293	2939	Found [M+H]+/[M-H]-
+M596T4172	596.100036621094	596.100036621094	596.100036621094	4172.42311655854	4172.42311655854	4172.42311655854	1	1	0			4425		[M+H]+ 595.093	4425	Found [M+H]+/[M-H]-
+M597T2724	596.799987792969	596.799987792969	596.799987792969	2723.73277209484	2723.73277209484	2723.73277209484	1	0	1			2540		[M+H]+ 595.793	2540	Found [M+H]+/[M-H]-
+M598T2738	597.799987792969	597.799987792969	597.799987792969	2737.68724200948	2737.68724200948	2737.68724200948	1	0	1			4444		[M+H]+ 596.793	4444	Found [M+H]+/[M-H]-
+M598T3811	598.299987792969	598.299987792969	598.299987792969	3810.99738439489	3810.99738439489	3810.99738439489	1	1	0			46		[M+H]+ 597.293	46	Found [M+H]+/[M-H]-
+M598T3177	598.5	598.5	598.5	3176.86596447828	3176.86596447828	3176.86596447828	1	1	0			801		[M+H]+ 597.493	801	Found [M+H]+/[M-H]-
Binary file test-data/xset.group.retcor.group.fillPeaks.annotate.negative.Rdata has changed
Binary file test-data/xset.group.retcor.group.fillPeaks.annotate.positive.Rdata has changed
--- a/test-data/xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv	Mon Feb 22 16:49:04 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,443 +0,0 @@
-name	mz	mzmin	mzmax	rt	rtmin	rtmax	npeaks	bio	blank	isotopes	adduct	pcgroup	isotopes.1	adduct.1	pcgroup.1	neg. Mode	P.fold	P.tstat	P.pvalue	N.fold	N.tstat	N.pvalue
-M100T333	99.7608703656017	99.7579925622581	99.7637481689453	333.27937598949	328.522653453703	338.036098525276	2	2	0			2685		[M+H]+ 98.7536	2685	Found [M+H]+/[M-H]-	Inf	-1.55778367320295	0.194281864373894	Inf	-1.55778367320295	0.194281864373894
-M105T334	104.969993591309	104.969123840332	104.974052429199	334.478718537907	324.592900472048	337.651441387759	3	3	0			447		[M+H]+ 103.963	447	Found [M+H]+/[M-H]-	Inf	-2.22723998769578	0.0898860418679983	Inf	-2.22723998769578	0.0898860418679983
-M105T351	105.068378448486	105.067970275879	105.068786621094	351.386774186232	347.221611236822	355.551937135641	2	2	0			3997		[M+H]+ 104.061	3997	Found [M+H]+/[M-H]-	Inf	-1.59651904953616	0.185608721674373	Inf	-1.59651904953616	0.185608721674373
-M105T50	104.953605944178	104.953545099449	104.953649972076	50.3907155634095	49.6178104857725	50.9443283160701	9	5	4			2764		[M+H]+ 103.946	2764	Found [M+H]+/[M-H]-	10.5982737604496	-4.05989724028937	0.0149522950904051	10.5982737604496	-4.05989724028937	0.0149522950904051
-M107T612	106.961769104004	106.957008361816	106.966850280762	612.036721541263	601.253270307699	622.647860267903	4	2	1			788		[M+H]+ 105.954	788	Found [M+H]+/[M-H]-	1.61172067848418	-0.435354993611172	0.676729042644553	1.61172067848418	-0.435354993611172	0.676729042644553
-M108T158	107.96764755249	107.966781616211	107.96851348877	157.956646561526	155.536586952915	160.376706170137	2	2	0			2023		[M+H]+ 106.96	2023	Found [M+H]+/[M-H]-	Inf	-1.60266546596844	0.184269691166154	Inf	-1.60266546596844	0.184269691166154
-M109T449	108.816116377336	108.814308255161	108.817924499512	448.912893881038	444.074090249992	453.751697512084	2	0	2			3088		[M+H]+ 107.809	3088	Found [M+H]+/[M-H]-	6.03160239028391	1.10590709850315	0.342684415671412	6.03160239028391	1.10590709850315	0.342684415671412
-M111T338	111.044788224338	111.044772467703	111.044904694196	338.333820229404	334.093721862283	339.181512181095	5	4	0			4073		[M+H]+ 110.038	4073	Found [M+H]+/[M-H]-	Inf	-3.36915704173404	0.0280656260833783	Inf	-3.36915704173404	0.0280656260833783
-M111T51	110.898692794353	110.898632566322	110.898796114692	51.2816141527486	50.8226098386928	52.1310769607387	7	5	2		[M+K]+ 71.9347 [M+2K]2+ 143.871	63		[M+H]+ 109.891	63	Found [M+H]+/[M-H]-	107.234435520687	-4.24543895866595	0.0131782897563633	107.234435520687	-4.24543895866595	0.0131782897563633
-M112T292	112.051302298222	112.051191770866	112.051437223534	292.479304705274	281.990468509378	306.031931766139	5	3	0			4962		[M+H]+ 111.044	4962	Found [M+H]+/[M-H]-	3.11039852357677	-2.54193654908641	0.0575392267614276	3.11039852357677	-2.54193654908641	0.0575392267614276
-M112T54	112.034626289918	112.034597639046	112.034654940791	54.2708182035323	54.189059479882	54.3525769271825	2	2	0			1882		[M+H]+ 111.027	1882	Found [M+H]+/[M-H]-	Inf	-1.43289475153763	0.22517090560669	Inf	-1.43289475153763	0.22517090560669
-M115T362	115.384078451829	115.37760925293	115.386878791104	361.822851128408	349.607330357367	373.480686196319	4	3	0			4461		[M+H]+ 114.377	4461	Found [M+H]+/[M-H]-	6.1389696929279	-2.3140345769744	0.0614626991247251	6.1389696929279	-2.3140345769744	0.0614626991247251
-M117T1003	116.986084037063	116.985864459183	116.986171601532	1003.08654761905	1002.26449783404	1003.37086206897	6	4	2			56		[M+H]+ 115.979	56	Found [M+H]+/[M-H]-	1.16186314694844	-0.431871845029389	0.68206694932652	1.16186314694844	-0.431871845029389	0.68206694932652
-M117T334	117.055379354362	117.055256466333	117.055456904176	333.599102436066	323.266073818252	345.570157046166	6	0	4			329		[M+H]+ 116.048	329	Found [M+H]+/[M-H]-	1.04067368497756	0.112630170269711	0.91507328485967	1.04067368497756	0.112630170269711	0.91507328485967
-M117T63	117.019027709961	117.018931618196	117.020763384489	62.5229250816841	47.7978384913575	66.9158144421358	11	5	2			210		[M+H]+ 116.012	210	Found [M+H]+/[M-H]-	77.7397680528909	-2.1046737248142	0.103084374575599	77.7397680528909	-2.1046737248142	0.103084374575599
-M118T444	117.900756835938	117.899368286133	117.902145385742	444.09017298736	440.152765514751	448.027580459969	2	0	2			4778		[M+H]+ 116.893	4778	Found [M+H]+/[M-H]-	Inf	1.62926956717938	0.201745058102972	Inf	1.62926956717938	0.201745058102972
-M118T52	118.050771254242	118.050716263351	118.050826245133	51.9092827440143	51.7417665352975	52.0767989527311	2	2	0			3635		[M+H]+ 117.043	3635	Found [M+H]+/[M-H]-	Inf	-1.63276500138102	0.177855532756621	Inf	-1.63276500138102	0.177855532756621
-M119T588	119.034491407873	119.034438507734	119.034544308012	588.443296297096	587.450183024046	589.436409570146	2	0	2			6902		[M+H]+ 118.027	6902	Found [M+H]+/[M-H]-	1.29188326021516	0.492903265465787	0.637674164604189	1.29188326021516	0.492903265465787	0.637674164604189
-M120T374	120.296531336844	120.294543740951	120.300170898438	373.955253492993	369.741099915322	374.11802519358	3	3	0			791		[M+H]+ 119.289	791	Found [M+H]+/[M-H]-	Inf	-2.28246504732348	0.0845563729403811	Inf	-2.28246504732348	0.0845563729403811
-M121T50	120.927435251799	120.927348880511	120.927500698792	50.3979561581367	50.2486370794436	51.4610251394509	6	5	1		[M+Na]+ 97.9384 [M+H-H20]+ 137.93 [M+2Na+2K-H]3+ 239.873	97		[M+H]+ 119.92	97	Found [M+H]+/[M-H]-	59.0354056409205	-3.52744682780411	0.0242508068880811	59.0354056409205	-3.52744682780411	0.0242508068880811
-M126T423	126.46662902832	126.462982177734	126.470275878906	422.778310801551	422.212797352317	423.343824250785	2	0	2			5343		[M+H]+ 125.459	5343	Found [M+H]+/[M-H]-	Inf	1.63743531816066	0.200063334997047	Inf	1.63743531816066	0.200063334997047
-M127T55	126.986973508194	126.986758670989	126.987066175302	54.6452559406513	53.8127633252437	62.8878423907335	3	3	0			1884		[M+H]+ 125.98	1884	Found [M+H]+/[M-H]-	13.0420999786089	-3.97543345722434	0.010838746312483	13.0420999786089	-3.97543345722434	0.010838746312483
-M128T1006	127.869953610333	127.869890080824	127.869968822036	1006.40509191021	1006.37336701989	1006.6178647063	3	0	3			4544		[M+H]+ 126.863	4544	Found [M+H]+/[M-H]-	1.80574820595387	1.21321163881188	0.30820103952656	1.80574820595387	1.21321163881188	0.30820103952656
-M128T64	128.035020058651	128.034965822483	128.035141652014	63.6533363151945	63.1626322142383	66.6642678290971	9	5	4		[M+Na+NH3]+ 88.0182	7		[M+Na+NH3]+ 88.0182 [M+H]+ 127.028	7	Found [M+H]+/[M-H]-	18.5426196245452	-4.16544439294312	0.0139978516451937	18.5426196245452	-4.16544439294312	0.0139978516451937
-M129T345	129.055398663229	129.055332831894	129.055466170614	344.741618902136	334.304607754623	363.919207435608	9	5	2		[M+H-CH4]+ 144.071	4291		[M+H]+ 128.048	4291	Found [M+H]+/[M-H]-	42.5892592547163	-2.81229833438726	0.0480953617357365	42.5892592547163	-2.81229833438726	0.0480953617357365
-M130T63	130.051530987929	130.050779331768	130.055761527037	63.4022475188158	55.7986890529763	66.7511302266809	3	1	2			1533		[M+H]+ 129.044	1533	Found [M+H]+/[M-H]-	8.65318290665029	-2.67591496752908	0.0505681308103421	8.65318290665029	-2.67591496752908	0.0505681308103421
-M131T326	131.070309588923	131.066920275534	131.076192957496	325.955619348164	320.728547970968	333.084867824595	7	4	1			4562		[M+H]+ 130.063	4562	Found [M+H]+/[M-H]-	2.54539651050037	-1.99397568838433	0.0931221308314498	2.54539651050037	-1.99397568838433	0.0931221308314498
-M131T346	131.070979826573	131.068144442247	131.073692789936	346.420153271468	341.401123350606	351.65901297607	9	4	2			1405		[M+H]+ 130.064	1405	Found [M+H]+/[M-H]-	2.92720548324088	-1.28049611560764	0.257120922142787	2.92720548324088	-1.28049611560764	0.257120922142787
-M131T458	131.077134984569	131.07243579215	131.078732582138	457.629578121171	439.536144595241	478.828571395519	13	4	3			2932		[M+H]+ 130.07	2932	Found [M+H]+/[M-H]-	1.26711539526503	-0.440641854605788	0.673269133653912	1.26711539526503	-0.440641854605788	0.673269133653912
-M131T47	130.961745088661	130.957293616402	130.966001667267	46.84814628141	44.1306749433932	49.2593476527647	12	4	4			6302		[M+H]+ 129.954	6302	Found [M+H]+/[M-H]-	1.94444734593006	-1.12155635750653	0.306831848217841	1.94444734593006	-1.12155635750653	0.306831848217841
-M132T398_1	131.994283768895	131.99422107439	131.994346463401	398.060172341226	397.965826918125	398.154517764328	2	2	0			212		[M+H]+ 130.987	212	Found [M+H]+/[M-H]-	Inf	-1.59732066862022	0.185433514983293	Inf	-1.59732066862022	0.185433514983293
-M133T286	133.038728757304	133.037679854335	133.038928784887	286.118752323255	281.455680671667	287.966026214311	3	2	0		[M+K+HCOOH]+ 48.078 [M+Na+HCOOH]+ 64.0519 [M+H+HCOOH]+ 86.0348	65		[M+H]+ 132.031	65	Found [M+H]+/[M-H]-	Inf	-2.609957095816	0.0594226648046474	Inf	-2.609957095816	0.0594226648046474
-M134T348	134.060923348641	134.060808112541	134.061001992501	348.18073555881	347.22045784934	349.627140946887	7	5	2		[M+H-CO2]+ 177.043	3		[M+H]+ 133.054	3	Found [M+H]+/[M-H]-	124.488601507989	-6.31603315679794	0.00319529268697183	124.488601507989	-6.31603315679794	0.00319529268697183
-M135T1004	134.864430121053	134.864327949661	134.8648378112	1003.89064650324	990.644653033812	1004.37721145842	8	5	3			2216		[M+H]+ 133.857	2216	Found [M+H]+/[M-H]-	1.11040350114261	-0.5173286944778	0.626952852486079	1.11040350114261	-0.5173286944778	0.626952852486079
-M135T41	134.990778305324	134.987696110915	134.993102756894	40.9311031385755	29.9235837240032	42.9230495622039	6	2	3			1097		[M+H]+ 133.984	1097	Found [M+H]+/[M-H]-	1.52746415923071	1.59134566084756	0.155565536333115	1.52746415923071	1.59134566084756	0.155565536333115
-M137T1000	136.891553056599	136.891434886565	136.891665037168	999.70097392354	998.222575676063	1001.73511814334	4	1	3			5635		[M+H]+ 135.884	5635	Found [M+H]+/[M-H]-	1.9162850016117	1.78644683684164	0.154118246090804	1.9162850016117	1.78644683684164	0.154118246090804
-M137T1005	136.862995969567	136.862988638427	136.863026655534	1004.60609449588	1003.60096153846	1004.66336564583	3	1	2			56		[M+H]+ 135.856	56	Found [M+H]+/[M-H]-	1.05654690070473	-0.208998996552518	0.84437097746135	1.05654690070473	-0.208998996552518	0.84437097746135
-M139T67	138.945255511654	138.943046513068	138.94746451024	67.0329639716475	64.8579223264565	69.2080056168385	2	2	0			8460		[M+H]+ 137.938	8460	Found [M+H]+/[M-H]-	Inf	-1.58202448480013	0.188806435077481	Inf	-1.58202448480013	0.188806435077481
-M141T50	140.917883976179	140.917796383474	140.917971568883	50.390201600718	49.9482648563086	50.8321383451274	2	2	0		[M+H]+ 139.917	2762		[M+H]+ 139.917	2762	Found [M+H]+/[M-H]-	2.14238679785595	-0.753989601737426	0.48094589588872	2.14238679785595	-0.753989601737426	0.48094589588872
-M144T243	144.066230662417	144.066202900308	144.066305981373	242.840740374997	241.45101409851	243.863881489117	5	5	0			211		[M+H]+ 143.059	211	Found [M+H]+/[M-H]-	Inf	-2.47621951334645	0.068488172806159	Inf	-2.47621951334645	0.068488172806159
-M144T420	144.098989856536	144.093312641142	144.101170339491	420.461230277245	409.452019063329	427.792565046625	5	2	2			4324		[M+H]+ 143.092	4324	Found [M+H]+/[M-H]-	1.55013960512658	-0.493886623933053	0.638035716650636	1.55013960512658	-0.493886623933053	0.638035716650636
-M144T424	144.305419921875	144.298263549805	144.306442260742	424.192396362563	419.42296166957	435.582691702373	3	2	1			3300		[M+H]+ 143.298	3300	Found [M+H]+/[M-H]-	2.38982161507341	-0.778077210649602	0.463338790873194	2.38982161507341	-0.778077210649602	0.463338790873194
-M148T275	148.069242770432	148.069224876009	148.069260664856	274.669457748574	273.444313134643	275.894602362504	2	2	0			1843		[M+H]+ 147.062	1843	Found [M+H]+/[M-H]-	Inf	-1.59893348491551	0.185081526517981	Inf	-1.59893348491551	0.185081526517981
-M148T55	148.028039505715	148.027427959789	148.028116093531	54.7104706698321	54.0985889699318	55.158247724481	8	5	3		[M+K]+ 109.06 [M+Na]+ 125.034 [M+H]+ 147.017 [M+H-NH3]+ 164.037	29		[M+H]+ 147.017	29	Found [M+H]+/[M-H]-	147.73841636919	-4.11564321418811	0.0146496931168714	147.73841636919	-4.11564321418811	0.0146496931168714
-M150T55	150.02504587463	150.024967922366	150.025146484375	54.6738772471652	54.1449471382784	54.8756850457646	5	5	0		[M+H-CH3]+ 164.037	29		[M+H]+ 149.018	29	Found [M+H]+/[M-H]-	377.280107224482	-2.96904594821988	0.0411798634006089	377.280107224482	-2.96904594821988	0.0411798634006089
-M151T44	150.946501064459	150.946441650391	150.946661541464	44.2171624057189	43.488725628069	51.5695720714311	6	5	1			7149		[M+H]+ 149.939	7149	Found [M+H]+/[M-H]-	3.28184377973186	-2.28780295039119	0.0705316014797823	3.28184377973186	-2.28780295039119	0.0705316014797823
-M152T53	152.022863297226	152.022829387319	152.023164402912	53.4691922554691	53.3051506388148	53.7035746392664	4	4	0			1869		[M+H]+ 151.016	1869	Found [M+H]+/[M-H]-	Inf	-2.18947116215313	0.0937474064415085	Inf	-2.18947116215313	0.0937474064415085
-M153T52	152.883377417484	152.883335249307	152.883458127134	51.6750944685698	50.8226098386928	52.1310769607387	7	5	2			179		[M+H]+ 151.876	179	Found [M+H]+/[M-H]-	61.8383845300537	-3.91372475798029	0.0172644637503492	61.8383845300537	-3.91372475798029	0.0172644637503492
-M157T461	157.086574190412	157.08648235466	157.086666026164	460.633000208939	460.207931136264	461.058069281613	2	2	0			268		[M+H]+ 156.079	268	Found [M+H]+/[M-H]-	Inf	-1.38712594836643	0.237690630843018	Inf	-1.38712594836643	0.237690630843018
-M157T52	156.924736138035	156.923762460111	156.925162382503	52.1310769607387	49.9482648563086	57.3407858532816	5	2	2		[M+Na]+ 133.931	179		[M+H]+ 155.917	179	Found [M+H]+/[M-H]-	66.4785536455539	-3.64572578299694	0.0217883405204051	66.4785536455539	-3.64572578299694	0.0217883405204051
-M157T62	157.008391179249	157.008257633952	157.010193003089	61.6702972346719	60.9465281683414	68.2185181602868	6	5	0			6894		[M+H]+ 156.001	6894	Found [M+H]+/[M-H]-	Inf	-2.74346842309402	0.0517205997612797	Inf	-2.74346842309402	0.0517205997612797
-M159T45	158.978157355971	158.978111964659	158.978221760564	45.363239380073	45.1329789604735	45.5285035427475	9	5	4	[8][M]+	[M+Na]+ 135.991	101	[8][M]+	[M+H]+ 157.971	101	Found [M+H]+/[M-H]-	2.18057386593541	-4.15882880556464	0.00535827555529811	2.18057386593541	-4.15882880556464	0.00535827555529811
-M159T54	159.023987626056	159.023961573013	159.024097012528	53.6418029515896	52.8917295515643	53.8127633252437	5	5	0			1874		[M+H]+ 158.017	1874	Found [M+H]+/[M-H]-	Inf	-4.82022204988194	0.00852164453046855	Inf	-4.82022204988194	0.00852164453046855
-M159T64	159.029632835346	159.029511113831	159.029801953881	63.5089863560297	62.9189789793435	68.715609541673	5	4	0		[M+H]+ 158.025	7		[M+H]+ 158.025	7	Found [M+H]+/[M-H]-	Inf	-2.26712830995004	0.0860000544314143	Inf	-2.26712830995004	0.0860000544314143
-M161T53	160.841702437911	160.841609210903	160.841708588409	52.8500773722943	51.7944151023409	53.4818252077471	5	2	3			2718		[M+H]+ 159.834	2718	Found [M+H]+/[M-H]-	4.5797643435196	2.43785004081988	0.0782828786200218	4.5797643435196	2.43785004081988	0.0782828786200218
-M161T549	160.841523493186	160.841497264539	160.841549721833	549.447424809129	549.425362095573	549.469487522685	2	2	0			178		[M+H]+ 159.834	178	Found [M+H]+/[M-H]-	2.03010180583923	-3.67843784870659	0.0093770571035483	2.03010180583923	-3.67843784870659	0.0093770571035483
-M162T569	161.848003336003	161.841918945312	161.849532314775	569.296571292691	555.550803741923	581.082748649951	10	4	2			375		[M+H]+ 160.841	375	Found [M+H]+/[M-H]-	1.11083651342001	-0.24690002490775	0.81785486854068	1.11083651342001	-0.24690002490775	0.81785486854068
-M163T345	162.838633067608	162.838565146997	162.838708714629	344.761256993116	342.082223813115	351.957921896798	5	4	0			242		[M+H]+ 161.831	242	Found [M+H]+/[M-H]-	1.14519791751877	0.616883136071403	0.563834181693991	1.14519791751877	0.616883136071403	0.563834181693991
-M163T440	162.83859045497	162.838526980545	162.838664568993	439.957177753077	430.270060840519	447.444378679487	9	3	3			308		[M+H]+ 161.831	308	Found [M+H]+/[M-H]-	1.02903922121374	0.202909448741836	0.845924012741649	1.02903922121374	0.202909448741836	0.845924012741649
-M163T493	162.838590608132	162.838471767198	162.838601638216	492.620277094233	479.856632464371	494.188253922579	4	3	0			1705		[M+H]+ 161.831	1705	Found [M+H]+/[M-H]-	2.31713363931985	-4.5145252420851	0.0104406893160305	2.31713363931985	-4.5145252420851	0.0104406893160305
-M163T51	162.912134733135	162.912098338394	162.912243357984	50.8199609995377	50.740921898288	50.8321383451274	4	4	0			5844		[M+H]+ 161.905	5844	Found [M+H]+/[M-H]-	141.48482334005	-2.63408431994343	0.0578962682667783	141.48482334005	-2.63408431994343	0.0578962682667783
-M163T518	162.838547127928	162.838522219402	162.838557933059	517.817542950916	512.900195107525	522.604942709733	4	2	0			5256		[M+H]+ 161.831	5256	Found [M+H]+/[M-H]-	1.92836509720571	-2.5814951650436	0.0549996011499907	1.92836509720571	-2.5814951650436	0.0549996011499907
-M163T53	162.838697112925	162.838632675113	162.838740879287	52.8818716076971	51.7944151023409	53.4818252077471	4	1	3			2723		[M+H]+ 161.831	2723	Found [M+H]+/[M-H]-	5.75916178854117	2.54729937009499	0.0774658695461379	5.75916178854117	2.54729937009499	0.0774658695461379
-M164T660	163.84659093972	163.846242679558	163.846613280934	659.749042454482	651.604152108083	661.816271182784	3	3	0			1189		[M+H]+ 162.839	1189	Found [M+H]+/[M-H]-	3.53472490669514	-2.27427700854909	0.0598302652768068	3.53472490669514	-2.27427700854909	0.0598302652768068
-M165T345	164.835662440086	164.834976196289	164.83574016327	344.781843560527	342.280227421693	345.061771676041	3	3	0			4308		[M+H]+ 163.828	4308	Found [M+H]+/[M-H]-	1.8013395262276	1.40419954340236	0.228489676705711	1.8013395262276	1.40419954340236	0.228489676705711
-M165T442	164.835628198325	164.834854125977	164.835735276818	441.6829527576	428.586284693275	448.159492643756	7	4	3			5040		[M+H]+ 163.828	5040	Found [M+H]+/[M-H]-	1.00079706795668	-0.00272770369066684	0.997935484591824	1.00079706795668	-0.00272770369066684	0.997935484591824
-M165T53	164.835716547425	164.835674470465	164.835758624385	52.8818716076971	52.8500773722943	52.9136658431	2	0	2			2724		[M+H]+ 163.828	2724	Found [M+H]+/[M-H]-	7.73641865304111	2.37456222989657	0.0924654598251504	7.73641865304111	2.37456222989657	0.0924654598251504
-M167T1005	166.923866240613	166.923788861984	166.924018059429	1005.35481653051	1004.96149576641	1006.05998626337	8	5	3			6428		[M+H]+ 165.917	6428	Found [M+H]+/[M-H]-	1.43550722766758	-2.05592901451705	0.084877536410046	1.43550722766758	-2.05592901451705	0.084877536410046
-M167T424	166.96354675293	166.957183837891	166.966644287109	424.192396362563	412.303173613619	428.238911275242	3	2	0			3301		[M+H]+ 165.956	3301	Found [M+H]+/[M-H]-	5.16416814812837	-1.25544250177024	0.267235698642965	5.16416814812837	-1.25544250177024	0.267235698642965
-M167T45	166.923832324788	166.922034339827	166.92410522056	45.1532113460531	44.7576272313087	51.4610251394509	7	2	3			2836		[M+H]+ 165.917	2836	Found [M+H]+/[M-H]-	1.52787685843647	1.75499995445008	0.141522182465038	1.52787685843647	1.75499995445008	0.141522182465038
-M167T51	166.860162104787	166.860038297163	166.860225726073	51.2879696237028	50.8226098386928	51.7612360112204	5	5	0		[2M+Na]+ 71.9347 [M+Na]+ 143.871	63		[M+H]+ 165.853	63	Found [M+H]+/[M-H]-	591.819113001319	-4.27312209771816	0.0129151262674188	591.819113001319	-4.27312209771816	0.0129151262674188
-M168T59	168.013287540169	168.012338861202	168.013493859941	59.2609104809437	58.9085647946475	60.0540724307638	4	4	0		[M+K]+ 129.049	235		[M+H]+ 167.006	235	Found [M+H]+/[M-H]-	Inf	-4.88682545977375	0.00812058156755668	Inf	-4.88682545977375	0.00812058156755668
-M169T51	168.857211073076	168.85713309822	168.857261967212	51.0199598721004	50.8226098386928	51.7612360112204	4	4	0			63		[M+H]+ 167.85	63	Found [M+H]+/[M-H]-	269.695437916762	-4.34267555901001	0.0122190390050283	269.695437916762	-4.34267555901001	0.0122190390050283
-M169T59	169.061391835118	169.061381850646	169.06140181959	58.9569135943942	58.9085647946475	59.0052623941409	2	2	0		[M+Na+NH3]+ 129.049	235		[M+H]+ 168.054	235	Found [M+H]+/[M-H]-	Inf	-1.61515456468833	0.181579614574865	Inf	-1.61515456468833	0.181579614574865
-M169T81	169.024402080375	169.024095736746	169.024708424004	80.9647472833241	79.3126946708263	82.6167998958218	2	2	0			1559		[M+H]+ 168.017	1559	Found [M+H]+/[M-H]-	Inf	-2.06687464377828	0.107610555239984	Inf	-2.06687464377828	0.107610555239984
-M173T51	172.898835931138	172.898755525233	172.90495300293	51.2077813990735	38.5346612439157	51.7944151023409	5	4	1			2332		[M+H]+ 171.892	2332	Found [M+H]+/[M-H]-	197.565805434942	-5.40361720528754	0.00565402614830268	197.565805434942	-5.40361720528754	0.00565402614830268
-M173T58	173.039650389654	173.03911097183	173.039714007903	58.0248070248356	57.3407858532816	59.0766980845476	3	3	0		[M+K]+ 134.071	234		[M+H]+ 172.032	234	Found [M+H]+/[M-H]-	Inf	-2.0432079813511	0.110539848177298	Inf	-2.0432079813511	0.110539848177298
-M175T332	175.060634136549	175.060535421463	175.060752889047	331.937772724811	325.220869202099	333.084867824595	6	5	0			2118		[M+H]+ 174.053	2118	Found [M+H]+/[M-H]-	Inf	-1.64902108774379	0.174488418029989	Inf	-1.64902108774379	0.174488418029989
-M175T45	174.955565028723	174.955507611851	174.955643621135	45.363239380073	45.1329789604735	45.5285035427475	9	5	4	[15][M]+	[M+K]+ 135.991	101	[15][M]+	[M+H]+ 173.948	101	Found [M+H]+/[M-H]-	1.01528590924086	-0.0724748374228394	0.944261318272352	1.01528590924086	-0.0724748374228394	0.944261318272352
-M175T62	175.024319044715	175.019196258498	175.024405332481	62.427203789073	62.0251606557298	63.6321856153795	5	5	0			3964		[M+H]+ 174.017	3964	Found [M+H]+/[M-H]-	277.472352977641	-8.16049645486189	0.00121837489611965	277.472352977641	-8.16049645486189	0.00121837489611965
-M176T308	176.03821802716	176.038150493542	176.038285560778	307.961624623304	307.492150844486	308.431098402121	2	2	0			6592		[M+H]+ 175.031	6592	Found [M+H]+/[M-H]-	Inf	-1.51046683507407	0.205443768027525	Inf	-1.51046683507407	0.205443768027525
-M176T78	175.982752802584	175.982051370194	175.983454234974	78.1217930464421	75.9093387102578	80.3342473826264	2	2	0			8195		[M+H]+ 174.975	8195	Found [M+H]+/[M-H]-	Inf	-1.90564109177252	0.129394382591124	Inf	-1.90564109177252	0.129394382591124
-M177T332	177.064769739043	177.064616645123	177.067352294922	331.96320101135	328.451953316616	333.084867824595	3	2	1			2118		[M+H]+ 176.057	2118	Found [M+H]+/[M-H]-	8.46267009087076	-1.42939209352343	0.224360070429674	8.46267009087076	-1.42939209352343	0.224360070429674
-M177T60	177.040037906843	177.039955515908	177.040113449867	60.4608947207812	55.5721382107767	61.541326497689	7	5	0			2600		[M+H]+ 176.033	2600	Found [M+H]+/[M-H]-	645.849237141489	-4.54271728868636	0.0104743940210175	645.849237141489	-4.54271728868636	0.0104743940210175
-M179T50	178.886480306966	178.885965155202	178.886947573271	50.3907155634095	50.2486370794436	50.8321383451274	5	5	0		[M+K]+ 139.917	2762		[M+K]+ 139.917 [M+H]+ 177.879	2762	Found [M+H]+/[M-H]-	Inf	-3.1385276606727	0.0348971916084262	Inf	-3.1385276606727	0.0348971916084262
-M181T1005	180.972783920575	180.972736347574	180.9729538027	1004.64107608137	1003.79	1010.85019628839	8	4	3		[M+H+Na]2+ 337.947	2213		[M+H]+ 179.966	2213	Found [M+H]+/[M-H]-	1.15300978239872	-0.668302156953551	0.538759807135472	1.15300978239872	-0.668302156953551	0.538759807135472
-M181T49	180.920912502333	180.920832535925	180.923797533306	48.859873783924	48.0328368453438	60.5025054312122	4	4	0			2256		[M+H]+ 179.914	2256	Found [M+H]+/[M-H]-	Inf	-2.22159960443763	0.0904512398100774	Inf	-2.22159960443763	0.0904512398100774
-M183T1011	182.896124421192	182.895879522044	182.896251544861	1011.43194493389	1008.93059119095	1022.43915227192	4	3	1			7241		[M+H]+ 181.889	7241	Found [M+H]+/[M-H]-	1.29822673662302	0.553159159614295	0.601103682923903	1.29822673662302	0.553159159614295	0.601103682923903
-M183T244	183.039996070905	183.039858432163	183.040133709647	243.759327007332	243.014369687444	244.50428432722	2	2	0			7269		[M+H]+ 182.033	7269	Found [M+H]+/[M-H]-	Inf	-1.80233791890638	0.14584113173521	Inf	-1.80233791890638	0.14584113173521
-M183T323	183.053824125907	183.053717187212	183.053862687844	322.534987011238	321.741888279205	323.232149681912	4	4	0			1926		[M+H]+ 182.047	1926	Found [M+H]+/[M-H]-	Inf	-2.82197748024101	0.0477321468690488	Inf	-2.82197748024101	0.0477321468690488
-M185T395_2	185.08134711421	185.081289993385	185.081459903317	394.535544195941	393.879008003597	395.617048434843	5	5	0			2061		[M+H]+ 184.074	2061	Found [M+H]+/[M-H]-	Inf	-2.27726893797786	0.0850424231899611	Inf	-2.27726893797786	0.0850424231899611
-M185T52	184.830607546079	184.824790855355	184.83116111076	52.3222462373176	50.8226098386928	66.7424810025036	10	5	2			94		[M+H]+ 183.823	94	Found [M+H]+/[M-H]-	10.7420821413654	-3.28212996661915	0.0295844872898281	10.7420821413654	-3.28212996661915	0.0295844872898281
-M188T323	188.034679038014	188.034598194512	188.035199184134	323.21247404919	312.099095017365	323.922778101955	6	5	0			2569		[M+H]+ 187.027	2569	Found [M+H]+/[M-H]-	Inf	-2.51740969828161	0.0655374284434069	Inf	-2.51740969828161	0.0655374284434069
-M189T318	189.087961572707	189.087880424779	189.09012601719	317.530975692436	317.299002495403	318.561197371318	3	2	1			2896		[M+H]+ 188.081	2896	Found [M+H]+/[M-H]-	1.52094337258848	-1.0715072238661	0.319522698774575	1.52094337258848	-1.0715072238661	0.319522698774575
-M189T379	189.00159126688	189.001479350323	189.001973622295	379.038187273704	374.425817901162	380.898275303696	5	5	0		[M+K]+ 150.036	12		[M+H]+ 187.994	12	Found [M+H]+/[M-H]-	Inf	-1.71220199744268	0.162022406088649	Inf	-1.71220199744268	0.162022406088649
-M191T41	190.927842911073	190.927770259985	190.927935267626	41.4975992125461	41.2590798060577	42.1835644696865	9	5	4			5974		[M+H]+ 189.921	5974	Found [M+H]+/[M-H]-	1.16081494730342	-0.732875882292791	0.494937057759926	1.16081494730342	-0.732875882292791	0.494937057759926
-M192T1017	191.946228027344	191.946136474609	191.946319580078	1017.13143179932	1013.66459996913	1020.59826362951	2	2	0			7256		[M+H]+ 190.939	7256	Found [M+H]+/[M-H]-	Inf	-1.63248296548347	0.177914544730527	Inf	-1.63248296548347	0.177914544730527
-M192T375	192.065946364015	192.065357944138	192.066124351151	374.971014254599	369.852862322826	381.029690175481	8	5	0			3936		[M+H]+ 191.059	3936	Found [M+H]+/[M-H]-	Inf	-3.70120690720594	0.0208134361342416	Inf	-3.70120690720594	0.0208134361342416
-M193T1012	192.92833616094	192.928263092598	192.928492338224	1011.77786795058	1005.27786341583	1017.28784326569	3	0	2			7242		[M+H]+ 191.921	7242	Found [M+H]+/[M-H]-	1.18291932486799	0.778639479820158	0.486209215354369	1.18291932486799	0.778639479820158	0.486209215354369
-M193T41	192.928304547819	192.928217397193	192.928415810856	41.4413213672123	40.9410780549122	42.9230495622039	6	3	3		[3M+Na+K]2+ 107.969 [M+K+HCOOH]+ 107.969	408		[M+H]+ 191.921	408	Found [M+H]+/[M-H]-	1.22499241188649	-1.0592061592967	0.332111646190397	1.22499241188649	-1.0592061592967	0.332111646190397
-M194T54	194.058600341533	194.058489369102	194.058711313964	53.9788552317611	53.8127633252437	54.1449471382784	2	2	0			1887		[M+H]+ 193.051	1887	Found [M+H]+/[M-H]-	Inf	-2.76323275033452	0.0506812906553671	Inf	-2.76323275033452	0.0506812906553671
-M195T1012	194.923656820156	194.923491349837	194.92382941477	1011.63948599468	1009.33223080971	1021.37395735788	5	2	2			592		[M+H]+ 193.916	592	Found [M+H]+/[M-H]-	1.22956840251829	0.566574107036514	0.593639891974535	1.22956840251829	0.566574107036514	0.593639891974535
-M195T54_2	195.050498301617	195.050384133429	195.050534487046	54.3525769271825	53.7035746392664	55.0847877979911	3	3	0		[M+H]+ 194.044	29		[M+H]+ 194.044	29	Found [M+H]+/[M-H]-	192.32349569921	-8.79090278693371	0.000920450320925692	192.32349569921	-8.79090278693371	0.000920450320925692
-M196T310	196.048678175291	196.048635573255	196.048736263686	310.009679446113	309.085629974303	310.405710365239	4	4	0		[M+2H]2+ 390.093	23		[M+2H]2+ 390.093 [M+H]+ 195.041	23	Found [M+H]+/[M-H]-	Inf	-3.73429357985852	0.020221168299464	Inf	-3.73429357985852	0.020221168299464
-M196T53_2	196.05371298862	196.053710631807	196.053744711732	53.1404004493558	52.2955414132911	53.2201329125331	3	3	0		[M+H]+ 195.053	94		[M+H]+ 195.053	94	Found [M+H]+/[M-H]-	Inf	-8.13458591798299	0.00124243704878491	Inf	-8.13458591798299	0.00124243704878491
-M196T54	196.074043240813	196.074029180126	196.074057301499	53.7138883851672	53.62608307401	53.8016936963245	2	2	0			29		[M+H]+ 195.067	29	Found [M+H]+/[M-H]-	Inf	-2.35207820164166	0.0783373276410222	Inf	-2.35207820164166	0.0783373276410222
-M197T385	197.044832221786	197.044829260467	197.044835183106	385.463724239134	384.579609979009	386.347838499259	2	2	0			2298		[M+H]+ 196.038	2298	Found [M+H]+/[M-H]-	Inf	-1.85300373830501	0.137510095908838	Inf	-1.85300373830501	0.137510095908838
-M197T66	196.922637584025	196.922466766921	196.923476668408	65.7826847852039	60.3287095204177	67.1140993637066	8	5	0			2388		[M+H]+ 195.915	2388	Found [M+H]+/[M-H]-	Inf	-5.32259555578641	0.00599507167612257	Inf	-5.32259555578641	0.00599507167612257
-M198T319	197.807273329849	197.807220114578	197.807326545121	319.364323003189	319.000559855896	319.728086150483	2	2	0			337		[M+H]+ 196.8	337	Found [M+H]+/[M-H]-	1.59417273393054	-0.956330658239252	0.391877306959682	1.59417273393054	-0.956330658239252	0.391877306959682
-M198T380	197.807185556877	197.807117585589	197.807424856379	380.381853346052	371.545402090251	381.988784988073	7	5	0			1365		[M+H]+ 196.8	1365	Found [M+H]+/[M-H]-	4.34255087962174	-3.43663755019246	0.0244570393431176	4.34255087962174	-3.43663755019246	0.0244570393431176
-M198T420	197.80733574591	197.80726064817	197.807410843649	420.017928824812	419.983236872474	420.052620777149	2	2	0			18		[M+H]+ 196.8	18	Found [M+H]+/[M-H]-	1.25670000810366	-0.774818634603359	0.473617221804677	1.25670000810366	-0.774818634603359	0.473617221804677
-M198T442	197.807300031473	197.80717623913	197.80750440036	441.914245927405	440.075962857004	457.629578121171	7	3	4			3612		[M+H]+ 196.8	3612	Found [M+H]+/[M-H]-	1.60449242089366	-1.54385000718184	0.172795829583736	1.60449242089366	-1.54385000718184	0.172795829583736
-M198T492	197.807296716224	197.807204735488	197.807334699144	492.380025130692	480.345514996581	494.188253922579	4	3	0			1702		[M+H]+ 196.8	1702	Found [M+H]+/[M-H]-	4.13111450904007	-3.49975903049059	0.0199018989835786	4.13111450904007	-3.49975903049059	0.0199018989835786
-M198T53	197.807395781902	197.807336060426	197.807490196304	52.8500773722943	51.7944151023409	53.4818252077471	5	2	3			2715		[M+H]+ 196.8	2715	Found [M+H]+/[M-H]-	4.04248763432751	1.64914020622161	0.182099492229963	4.04248763432751	1.64914020622161	0.182099492229963
-M198T550	197.807214369208	197.807211057074	197.80722538311	549.927842817633	549.469487522685	556.090842781325	3	2	0			5513		[M+H]+ 196.8	5513	Found [M+H]+/[M-H]-	3.29571659678827	-2.72362164559475	0.0491678927257828	3.29571659678827	-2.72362164559475	0.0491678927257828
-M199T409	199.084642954318	199.084585206071	199.084700702565	409.49627953236	409.210308120246	409.782250944474	2	2	0			1754		[M+H]+ 198.077	1754	Found [M+H]+/[M-H]-	Inf	-1.60245547998786	0.184315272351063	Inf	-1.60245547998786	0.184315272351063
-M199T49	198.944505733117	198.944495563693	198.944515902541	48.5442614196086	48.3944583802121	48.6940644590051	2	2	0			2243		[M+H]+ 197.937	2243	Found [M+H]+/[M-H]-	2.06639669189988	1.82454432140006	0.126060381055401	2.06639669189988	1.82454432140006	0.126060381055401
-M199T58	199.03729375893	199.037166355972	199.037374248981	58.3859161153518	58.0695170031657	59.0766980845476	5	5	0			234		[M+H]+ 198.03	234	Found [M+H]+/[M-H]-	Inf	-2.9014890052438	0.0440521383589889	Inf	-2.9014890052438	0.0440521383589889
-M200T319	199.804395122105	199.804316073295	199.804474170915	319.472312694666	319.216539238849	319.728086150483	2	2	0			337		[M+H]+ 198.797	337	Found [M+H]+/[M-H]-	7.28895730859278	-2.02019501717019	0.10824104548377	7.28895730859278	-2.02019501717019	0.10824104548377
-M200T349	199.804416090728	199.804183926259	199.805053710938	348.609236995358	329.735275805962	363.444762798765	10	3	4			228		[M+H]+ 198.797	228	Found [M+H]+/[M-H]-	1.27171082747504	-0.476421265761403	0.649961339731824	1.27171082747504	-0.476421265761403	0.649961339731824
-M200T379	199.804394826214	199.803931385195	199.804476303117	379.046247164045	367.733025653317	380.898275303696	8	4	3			1626		[M+H]+ 198.797	1626	Found [M+H]+/[M-H]-	4.40861957427324	-2.77017287518359	0.0494560847190579	4.40861957427324	-2.77017287518359	0.0494560847190579
-M200T419	199.804369021182	199.804007330525	199.805038452148	419.240460082537	407.619609771979	428.780815032752	11	4	4			7907		[M+H]+ 198.797	7907	Found [M+H]+/[M-H]-	1.93128951039244	-1.25635501374005	0.265870616062867	1.93128951039244	-1.25635501374005	0.265870616062867
-M200T442	199.804795765628	199.804128037038	199.805191040039	442.033975899249	437.087214429871	447.558481939813	6	2	3			3613		[M+H]+ 198.798	3613	Found [M+H]+/[M-H]-	1.74708453681013	-0.825208435421473	0.450903276758409	1.74708453681013	-0.825208435421473	0.450903276758409
-M200T53	199.80433532545	199.804297034527	199.804447107304	52.9136658431	52.8500773722943	54.1081954019153	3	0	3			2717		[M+H]+ 198.797	2717	Found [M+H]+/[M-H]-	5.40758428462259	1.73299826535892	0.176351375718419	5.40758428462259	1.73299826535892	0.176351375718419
-M201T456	201.112525539889	201.112459712482	201.112688517853	455.523048750093	454.670784606395	456.172342249748	5	5	0			3012		[M+H]+ 200.105	3012	Found [M+H]+/[M-H]-	69.0079086332186	-2.26479824124886	0.0862100615973271	69.0079086332186	-2.26479824124886	0.0862100615973271
-M201T49	200.964748078077	200.964670244248	200.964913045573	48.8689992722351	47.0834090083019	49.0320531049294	5	1	4			2966		[M+H]+ 199.957 [M+H]+ 199.957	2966	Found [M+H]+/[M-H]-	16.5892421679486	11.5812306649212	0.000171907968512075	16.5892421679486	11.5812306649212	0.000171907968512075
-M201T57	201.052948388218	201.052904654301	201.053017308758	56.8154426319833	56.3275134655542	57.120883996986	5	5	0		[M+H+CF3COOH]+ 66.0563	45		[M+H]+ 200.046	45	Found [M+H]+/[M-H]-	Inf	-8.88000804654786	0.000888474156370389	Inf	-8.88000804654786	0.000888474156370389
-M202T53	201.801398284935	201.801358925248	201.801437644621	52.8818716076971	52.8500773722943	52.9136658431	2	0	2			2726		[M+H]+ 200.794	2726	Found [M+H]+/[M-H]-	Inf	1.59459677238649	0.209064733573254	Inf	1.59459677238649	0.209064733573254
-M203T260	203.014866903323	203.01237487793	203.01517304138	260.073855004304	255.676187200066	260.714177428788	3	2	1			2048		[M+H]+ 202.008	2048	Found [M+H]+/[M-H]-	8.33745391284737	-1.55940762759144	0.191822201998252	8.33745391284737	-1.55940762759144	0.191822201998252
-M203T344	203.091886669884	203.091839010203	203.09212698523	343.775887067181	343.568676145638	345.234945138976	3	3	0			5876		[M+H]+ 202.085	5876	Found [M+H]+/[M-H]-	Inf	-2.82856571109711	0.0474139883898759	Inf	-2.82856571109711	0.0474139883898759
-M203T491	203.128035258094	203.123245239258	203.128516796386	490.711137385413	489.276049763106	494.79589694794	5	4	1		[M+H]+ 202.118	226		[M+H]+ 202.118	226	Found [M+H]+/[M-H]-	31.4208446136702	-3.34585898598029	0.0276458950579554	31.4208446136702	-3.34585898598029	0.0276458950579554
-M203T57	203.049934370579	203.049874885322	203.050061597347	56.8154426319833	56.3275134655542	57.120883996986	5	5	0			45		[M+H]+ 202.043	45	Found [M+H]+/[M-H]-	Inf	-8.93455940506452	0.000867824861056299	Inf	-8.93455940506452	0.000867824861056299
-M205T225	204.956360493351	204.956291449583	204.956553060452	224.948977151727	218.400034304723	230.320235167043	4	2	1			8760		[M+H]+ 203.949	8760	Found [M+H]+/[M-H]-	1.86168513116857	1.81847183730201	0.113479355152514	1.86168513116857	1.81847183730201	0.113479355152514
-M205T277	205.019487826025	205.019479024839	205.019496627212	276.724048355162	276.045844259444	277.402252450879	2	2	0			5698		[M+H]+ 204.012	5698	Found [M+H]+/[M-H]-	Inf	-2.39575011739881	0.0746999632343526	Inf	-2.39575011739881	0.0746999632343526
-M205T314	205.009138911752	205.007982265237	205.010295558267	313.501303519039	313.141715339415	313.860891698663	2	2	0			5662		[M+H]+ 204.002	5662	Found [M+H]+/[M-H]-	14.0979947391331	-1.42097438681649	0.2267871856839	14.0979947391331	-1.42097438681649	0.2267871856839
-M205T369	204.996773488725	204.992533274547	204.99702587677	368.867308245037	359.148624847695	383.90880987038	9	5	2			17		[M+H]+ 203.989	17	Found [M+H]+/[M-H]-	19.0461236230484	-1.86533861671609	0.135033308865137	19.0461236230484	-1.86533861671609	0.135033308865137
-M205T43	204.956372961914	204.956039034284	204.957383679608	42.9207491334861	34.6695054452568	43.2629130537807	4	1	3			404		[M+H]+ 203.949	404	Found [M+H]+/[M-H]-	2.34510443704701	1.65519926720859	0.143114213555614	2.34510443704701	1.65519926720859	0.143114213555614
-M205T58	205.045933428289	205.045824000885	205.046042855693	57.7051514282237	57.3407858532816	58.0695170031657	2	2	0			2097		[M+H]+ 204.039	2097	Found [M+H]+/[M-H]-	Inf	-1.04681500394762	0.354269499589589	Inf	-1.04681500394762	0.354269499589589
-M206T421	206.071244304523	206.071174519251	206.071314089796	420.949297397863	420.468356060753	421.430238734973	2	2	0			2788		[M+H]+ 205.064	2788	Found [M+H]+/[M-H]-	Inf	-1.73349605562663	0.158035110232255	Inf	-1.73349605562663	0.158035110232255
-M207T249	206.976199882209	206.976065229115	206.976334535304	248.580666871873	247.127853912554	250.033479831193	2	2	0			7017		[M+H]+ 205.969	7017	Found [M+H]+/[M-H]-	19.3460482924225	-1.58538132810397	0.187926740838283	19.3460482924225	-1.58538132810397	0.187926740838283
-M207T288	206.976149718823	206.976077656752	206.980697405498	288.467123839242	286.922893374671	295.423265456801	3	2	1			54		[M+H]+ 205.969	54	Found [M+H]+/[M-H]-	28.7578458428835	-1.20399464247745	0.294907735716278	28.7578458428835	-1.20399464247745	0.294907735716278
-M207T43	206.972085248937	206.972041457043	206.97216286142	42.8277375541273	42.5670785177943	42.9230495622039	4	0	4			5931		[M+H]+ 205.965	5931	Found [M+H]+/[M-H]-	9.09792984101924	13.088212014409	0.000388601164774904	9.09792984101924	13.088212014409	0.000388601164774904
-M208T366	208.073970039517	208.073692576205	208.074074702804	366.320365752136	364.77075795652	366.623979731976	3	3	0		[3M+H]+ 69.0313	511		[M+H]+ 207.067	511	Found [M+H]+/[M-H]-	Inf	-1.92783031379548	0.126129781976051	Inf	-1.92783031379548	0.126129781976051
-M208T440	207.836064257757	207.835838487509	207.836302612246	440.252399458903	426.946278739092	457.652622948668	6	1	2			5086		[M+H]+ 206.829	5086	Found [M+H]+/[M-H]-	5.07566971868379	1.94729299512782	0.125349055696943	5.07566971868379	1.94729299512782	0.125349055696943
-M209T248	208.975381763001	208.975364552305	208.975578822247	247.8720246847	246.613148092652	248.491573218692	3	3	0			586		[M+H]+ 207.968	586	Found [M+H]+/[M-H]-	94.0019034475082	-1.5043170469338	0.20690541274411	94.0019034475082	-1.5043170469338	0.20690541274411
-M211T269	211.082941865027	211.082897612271	211.08304414311	269.167200906234	268.26194555939	270.338461636874	4	4	0		[M+Na]+ 188.098	4537		[M+H]+ 210.076	4537	Found [M+H]+/[M-H]-	Inf	-2.22149728830294	0.0904615290964574	Inf	-2.22149728830294	0.0904615290964574
-M211T403	211.060538920729	211.060482221083	211.060607305086	402.85695071162	396.206679148045	403.947022851854	5	4	0			85		[M+H]+ 210.053	85	Found [M+H]+/[M-H]-	Inf	-2.47428686503777	0.0686302993509393	Inf	-2.47428686503777	0.0686302993509393
-M211T51	210.841827684376	210.841720903946	210.84191825973	51.2879696237028	51.2550832857068	51.7612360112204	5	5	0			2331		[M+H]+ 209.835	2331	Found [M+H]+/[M-H]-	345.81601322869	-3.28075009400751	0.0304711079846851	345.81601322869	-3.28075009400751	0.0304711079846851
-M212T57	212.040628794422	212.040549528083	212.040786223816	56.9537717844583	56.5494747208612	57.6170708537318	4	4	0			2098		[M+H]+ 211.033	2098	Found [M+H]+/[M-H]-	Inf	-3.52588341204456	0.024320633313037	Inf	-3.52588341204456	0.024320633313037
-M213T326	213.064073162633	213.063849526935	213.064296798332	326.257367187408	325.956369738127	326.558364636689	2	2	0			2138		[M+H]+ 212.057	2138	Found [M+H]+/[M-H]-	Inf	-1.91877582542955	0.127451011531256	Inf	-1.91877582542955	0.127451011531256
-M215T334	215.091866282066	215.091737369812	215.091995957694	334.478718537907	330.491297978885	339.181512181095	3	3	0			6321		[M+H]+ 214.085	6321	Found [M+H]+/[M-H]-	Inf	-2.05232829968174	0.10940072873246	Inf	-2.05232829968174	0.10940072873246
-M215T49	214.933444990135	214.933403970251	214.933486010019	49.2909776306862	49.2062421221754	49.375713139197	2	2	0			2967		[M+H]+ 213.926	2967	Found [M+H]+/[M-H]-	Inf	-1.86309005493025	0.135913425746168	Inf	-1.86309005493025	0.135913425746168
-M216T285	216.081944578884	216.077855307243	216.084579303691	285.10469591612	273.373855508685	291.529788988469	5	2	2			3658		[M+H]+ 215.075	3658	Found [M+H]+/[M-H]-	1.14123740947188	-0.255256553050474	0.806012818178024	1.14123740947188	-0.255256553050474	0.806012818178024
-M216T349	216.023984938969	216.023804892138	216.024185168351	348.985916992909	347.22045784934	356.346327597561	8	5	1			4153		[M+H]+ 215.017	4153	Found [M+H]+/[M-H]-	325.677280610428	-11.8913488046305	0.000282108142486415	325.677280610428	-11.8913488046305	0.000282108142486415
-M217T50	216.936798010832	216.936363117007	216.937288541267	49.7058888664046	46.5874147234747	50.9443283160701	4	1	3			341		[M+H]+ 215.93	341	Found [M+H]+/[M-H]-	1.84260486744881	1.56084558547029	0.16690129695899	1.84260486744881	1.56084558547029	0.16690129695899
-M217T53	217.047788386686	217.047712983406	217.052474975586	52.6581638000514	46.742899834895	52.8917295515643	4	3	1			2728		[M+H]+ 216.041	2728	Found [M+H]+/[M-H]-	160.285956985692	-2.43969024677021	0.0712222104218494	160.285956985692	-2.43969024677021	0.0712222104218494
-M218T283	218.10273373801	218.102640844535	218.102868082962	283.216862294172	282.801908774578	284.968660371316	5	5	0	[39][M]+		2619	[39][M]+	[M+H]+ 217.095	2619	Found [M+H]+/[M-H]-	Inf	-2.63516713994893	0.057872252937641	Inf	-2.63516713994893	0.057872252937641
-M218T356	217.901289633051	217.901168996613	217.901410269489	356.002209919108	353.596789846118	358.407629992098	2	0	2			3712		[M+H]+ 216.894	3712	Found [M+H]+/[M-H]-	Inf	1.81388998188545	0.167338670706481	Inf	1.81388998188545	0.167338670706481
-M218T360	218.040115356445	218.039902863749	218.045100837483	360.3814581699	350.137607439908	360.931670763921	3	3	0			64		[M+H]+ 217.033	64	Found [M+H]+/[M-H]-	Inf	-1.54325762612146	0.197640909652008	Inf	-1.54325762612146	0.197640909652008
-M218T393	218.111013985254	218.110814331313	218.111087192833	393.069411642261	392.769164138403	394.145383925038	3	3	0			4844		[M+H]+ 217.104	4844	Found [M+H]+/[M-H]-	Inf	-2.35295146964306	0.078262659762633	Inf	-2.35295146964306	0.078262659762633
-M218T465	218.081504600344	218.080972023251	218.08156797649	465.44213805391	443.411809922235	466.982737429939	6	4	0			349		[M+H]+ 217.074	349	Found [M+H]+/[M-H]-	Inf	-2.4997104412311	0.0667872088399939	Inf	-2.4997104412311	0.0667872088399939
-M218T538	217.901335003963	217.901222794843	217.901501115334	538.307264997665	529.418720643866	538.855819258754	3	1	2			7513		[M+H]+ 216.894	7513	Found [M+H]+/[M-H]-	1.18492941831761	-0.316967679498953	0.762277805204887	1.18492941831761	-0.316967679498953	0.762277805204887
-M219T244	219.00976600291	219.009602856565	219.009929149255	244.010835645777	243.517386964334	244.50428432722	2	2	0			30		[M+H]+ 218.002	30	Found [M+H]+/[M-H]-	Inf	-2.23841590519606	0.0887777862519137	Inf	-2.23841590519606	0.0887777862519137
-M219T288	218.976272493551	218.976270252617	218.976274734486	287.953537000124	287.439950161006	288.467123839242	2	2	0			36		[M+H]+ 217.969	36	Found [M+H]+/[M-H]-	Inf	-1.46276655526221	0.217357490778456	Inf	-1.46276655526221	0.217357490778456
-M219T323	219.023757628266	219.023651895431	219.026580810547	323.232149681912	322.248544503453	336.817984991583	5	4	1		[M+K]+ 180.063	81		[M+H]+ 218.016	81	Found [M+H]+/[M-H]-	112.30374387192	-3.14331569596256	0.0346604611092456	112.30374387192	-3.14331569596256	0.0346604611092456
-M219T416	219.012774352746	219.012617134514	219.012886306512	416.0568841137	414.822097567148	417.066328587549	3	3	0			1848		[M+H]+ 218.005	1848	Found [M+H]+/[M-H]-	32.580942508002	-1.88490548497459	0.132021315933004	32.580942508002	-1.88490548497459	0.132021315933004
-M219T51	218.962890052623	218.962871374604	218.962908730642	50.8631832756625	50.7820382352548	50.9443283160701	2	0	2			5846		[M+H]+ 217.956	5846	Found [M+H]+/[M-H]-	Inf	1.45966529502811	0.240491885291917	Inf	1.45966529502811	0.240491885291917
-M219T53	219.044927862234	219.044791121635	219.048416137695	52.6581638000514	40.6769823011844	55.3411380204294	6	5	1			94		[M+H]+ 218.038	94	Found [M+H]+/[M-H]-	263.310301380734	-2.40333435865346	0.0740772081904693	263.310301380734	-2.40333435865346	0.0740772081904693
-M221T328	220.991947800809	220.991845471698	220.992041190554	328.215569003379	328.046624373618	328.522653453703	3	3	0			3648		[M+H]+ 219.985	3648	Found [M+H]+/[M-H]-	Inf	-2.22651810775333	0.0899581573593304	Inf	-2.22651810775333	0.0899581573593304
-M221T365	221.04532623291	221.044372558594	221.05061340332	365.272348473907	355.097395640845	377.691508014562	4	1	2			2705		[M+H]+ 220.038	2705	Found [M+H]+/[M-H]-	2.44368347084164	0.788883186183351	0.463581807272025	2.44368347084164	0.788883186183351	0.463581807272025
-M222T385	222.071049018568	222.070986313963	222.071111723172	384.823980532515	384.405618725474	385.242342339555	2	2	0			80		[M+H]+ 221.064	80	Found [M+H]+/[M-H]-	Inf	-1.51163057521502	0.205161537950894	Inf	-1.51163057521502	0.205161537950894
-M223T395	223.054788792859	223.054155199153	223.05496622699	394.832695943797	393.749989912367	395.420762034392	4	4	0		[M+Na+K]2+ 384.16	42		[M+H]+ 222.048	42	Found [M+H]+/[M-H]-	22.5894113283224	-1.56245698145652	0.192917411512127	22.5894113283224	-1.56245698145652	0.192917411512127
-M223T51	222.885593761236	222.885162353516	222.886025168957	50.6579001886105	49.8547752377701	51.4610251394509	2	0	2			2767		[M+H]+ 221.878	2767	Found [M+H]+/[M-H]-	1.10345494564075	0.100395308155227	0.92302994047887	1.10345494564075	0.100395308155227	0.92302994047887
-M224T513	223.953102418307	223.953058373254	223.95314646336	513.461044201957	513.378552123057	513.543536280857	2	2	0			766		[M+H]+ 222.946	766	Found [M+H]+/[M-H]-	Inf	-1.69690244141291	0.164952681793066	Inf	-1.69690244141291	0.164952681793066
-M224T53	223.848244345593	223.847912599282	223.848496779136	52.9136658431	52.8500773722943	53.4818252077471	3	0	3			2730		[M+H]+ 222.841	2730	Found [M+H]+/[M-H]-	Inf	2.9880944880279	0.0582191445706302	Inf	2.9880944880279	0.0582191445706302
-M225T319_1	225.041135496119	225.040106547759	225.045473318422	318.722933969481	306.093040911311	327.149738162288	7	4	1			1516		[M+H]+ 224.034	1516	Found [M+H]+/[M-H]-	5.73373840371288	-3.04002096857486	0.028798225713337	5.73373840371288	-3.04002096857486	0.028798225713337
-M225T319_2	225.059024036524	225.055262144144	225.060555663253	319.477015922129	313.132988836526	339.807400468222	11	5	2			5374		[M+H]+ 224.052	5374	Found [M+H]+/[M-H]-	11.7995509194341	-1.37461683961501	0.240950810037909	11.7995509194341	-1.37461683961501	0.240950810037909
-M226T437	226.079445047931	226.079231006431	226.079669110983	436.640611873249	435.841876298897	444.563990222248	5	5	0			5099		[M+H]+ 225.072	5099	Found [M+H]+/[M-H]-	Inf	-2.51112344216905	0.0659782304690353	Inf	-2.51112344216905	0.0659782304690353
-M227T244	227.041667516679	227.041501444673	227.041833588684	243.746036306169	243.517386964334	243.974685648003	2	2	0			7270		[M+H]+ 226.034	7270	Found [M+H]+/[M-H]-	Inf	-2.06150894678284	0.108267110680296	Inf	-2.06150894678284	0.108267110680296
-M227T375	227.049107150066	227.048958199088	227.049199563841	375.086393985019	374.16026034241	375.271802345449	3	3	0			3939		[M+H]+ 226.042	3939	Found [M+H]+/[M-H]-	Inf	-1.36077077304668	0.245210667583893	Inf	-1.36077077304668	0.245210667583893
-M227T47	226.96540941558	226.965281387144	226.965509400509	47.312894757857	47.0834090083019	47.8323797817324	7	3	4	[40][M]+	[M+Na]+ 203.975	444	[40][M]+	[M+H]+ 225.958	444	Found [M+H]+/[M-H]-	1.6206042601798	-1.98561366537639	0.109726693105247	1.6206042601798	-1.98561366537639	0.109726693105247
-M227T51	226.815803616698	226.815533684866	226.815841415783	51.2550832857068	50.8226098386928	51.2879696237028	5	5	0			2342		[M+H]+ 225.809	2342	Found [M+H]+/[M-H]-	Inf	-3.84161192407255	0.0184341344543881	Inf	-3.84161192407255	0.0184341344543881
-M228T408	228.013443033133	228.013017246938	228.013868819328	407.805154390252	407.274452193971	408.335856586534	2	2	0			70		[M+H]+ 227.006	70	Found [M+H]+/[M-H]-	Inf	-1.48942714874355	0.210614926227951	Inf	-1.48942714874355	0.210614926227951
-M229T56	229.02928294031	229.029219121102	229.029390237123	56.1113925678956	55.0847877979911	56.1334095502559	3	3	0			2306		[M+H]+ 228.022	2306	Found [M+H]+/[M-H]-	Inf	-2.85695169946484	0.046071052213601	Inf	-2.85695169946484	0.046071052213601
-M229T60	228.992956451386	228.992859620921	228.992977203451	59.5165585677464	59.4927154999776	59.8364284402276	3	3	0			2433		[M+H]+ 227.986	2433	Found [M+H]+/[M-H]-	Inf	-2.00462547187025	0.115505036256654	Inf	-2.00462547187025	0.115505036256654
-M230T276	229.975667118344	229.975519976947	229.97581425974	276.46800798037	275.533763509862	277.402252450879	2	2	0			3029		[M+H]+ 228.968	3029	Found [M+H]+/[M-H]-	Inf	-1.33105255724337	0.253971264329022	Inf	-1.33105255724337	0.253971264329022
-M230T294	230.021984615409	230.021978573692	230.021990657126	294.244781634208	293.525152464576	294.964410803839	2	2	0			1590		[M+H]+ 229.015	1590	Found [M+H]+/[M-H]-	Inf	-3.11809362124357	0.0355921437057587	Inf	-3.11809362124357	0.0355921437057587
-M230T321	230.012241808012	230.012162888746	230.012351393867	321.213537036628	307.492150844486	321.37835262906	6	5	0			108		[M+H]+ 229.005	108	Found [M+H]+/[M-H]-	Inf	-1.71500270537108	0.161491963029328	Inf	-1.71500270537108	0.161491963029328
-M230T340	230.102713262708	230.102602778686	230.102948888571	339.675014658594	335.119058364842	341.231410122019	6	5	0			6325		[M+H]+ 229.095	6325	Found [M+H]+/[M-H]-	Inf	-2.15330318080125	0.0976192211928459	Inf	-2.15330318080125	0.0976192211928459
-M231T51	230.857257461304	230.857007135931	230.85745856039	51.2077813990735	49.9482648563086	51.2879696237028	5	5	0			2348		[M+H]+ 229.85	2348	Found [M+H]+/[M-H]-	Inf	-13.6902925745035	0.000164895309621382	Inf	-13.6902925745035	0.000164895309621382
-M232T294	232.018944682217	232.018510120909	232.019092753585	293.60156024631	293.070669572271	295.478677283159	4	4	0			1591		[M+H]+ 231.012	1591	Found [M+H]+/[M-H]-	Inf	-3.69275321802796	0.0209680724355992	Inf	-3.69275321802796	0.0209680724355992
-M232T310_1	232.018943132836	232.018689398874	232.019055282642	309.83228183276	309.565071482922	310.405710365239	4	4	0			1788		[M+H]+ 231.012	1788	Found [M+H]+/[M-H]-	Inf	-4.48005183833341	0.0109894150029906	Inf	-4.48005183833341	0.0109894150029906
-M232T361	232.007945486047	232.007887561677	232.008003410417	361.330102008893	360.931670763921	361.728533253865	2	2	0			40		[M+H]+ 231.001	40	Found [M+H]+/[M-H]-	Inf	-1.5293486675566	0.200913025341207	Inf	-1.5293486675566	0.200913025341207
-M232T365	232.019135036675	232.0188728177	232.01939725565	365.302945364602	364.77075795652	365.835132772684	2	2	0			2699		[M+H]+ 231.012	2699	Found [M+H]+/[M-H]-	Inf	-1.61629392272515	0.181336240075545	Inf	-1.61629392272515	0.181336240075545
-M233T695	232.914241137308	232.91399453771	232.916410392801	694.592968236335	688.591047104945	710.81572861173	11	4	3			8878		[M+H]+ 231.907	8878	Found [M+H]+/[M-H]-	1.54662281728731	-1.67558883667538	0.137873363880888	1.54662281728731	-1.67558883667538	0.137873363880888
-M235T260	235.040929958266	235.040704651191	235.041477780013	260.280529973772	258.513866256472	261.26806566286	3	3	0			2050		[M+H]+ 234.034	2050	Found [M+H]+/[M-H]-	Inf	-1.81644382209835	0.143468666559999	Inf	-1.81644382209835	0.143468666559999
-M235T409	235.055090436105	235.055082622417	235.055098249793	408.590544332182	408.465720954566	408.715367709798	2	2	0			3699		[M+H]+ 234.048	3699	Found [M+H]+/[M-H]-	Inf	-1.7918584615672	0.147630801936274	Inf	-1.7918584615672	0.147630801936274
-M235T47	234.919254613483	234.918907786535	234.91960144043	47.15351754617	47.0176906728535	47.2893444194866	2	2	0			6291		[M+H]+ 233.912	6291	Found [M+H]+/[M-H]-	Inf	-1.63169807565523	0.178078879020816	Inf	-1.63169807565523	0.178078879020816
-M236T1013	235.925467821938	235.925379355237	235.925634308471	1013.22674160066	1005.27786341583	1033.29581464402	27	5	4			135		[M+H]+ 234.918	135	Found [M+H]+/[M-H]-	1.01446605622536	0.0630464033506217	0.95219872090606	1.01446605622536	0.0630464033506217	0.95219872090606
-M236T1030	235.961197613104	235.960529291237	235.962011605438	1029.62861172917	1025.98692364791	1029.71894854847	3	2	1			5766		[M+H]+ 234.954	5766	Found [M+H]+/[M-H]-	1.2316776330299	-0.337702038219515	0.746464207350547	1.2316776330299	-0.337702038219515	0.746464207350547
-M238T476	238.102432287532	238.102430846111	238.108276367188	475.87445923857	475.414005064733	483.288713264025	3	3	0			7440		[M+H]+ 237.095	7440	Found [M+H]+/[M-H]-	Inf	-1.80055616754392	0.146143774826295	Inf	-1.80055616754392	0.146143774826295
-M239T460	239.09188622651	239.091644014123	239.092026923767	460.323570445427	459.092123900456	461.058069281613	4	4	0		[M+H-C2H4]+ 266.116	216		[M+H]+ 238.085	216	Found [M+H]+/[M-H]-	Inf	-1.79529691406037	0.147041015585318	Inf	-1.79529691406037	0.147041015585318
-M241T48	240.927839671353	240.927831747595	240.92784759511	48.3334188817963	47.7978384913575	48.8689992722351	2	0	2			2259		[M+H]+ 239.921	2259	Found [M+H]+/[M-H]-	1.05325583142824	-0.0966109674376337	0.926385415193073	1.05325583142824	-0.0966109674376337	0.926385415193073
-M242T326	242.048489013598	242.048391247106	242.048677950796	325.844146427106	325.573603030243	326.217351223788	3	3	0			4563		[M+H]+ 241.041	4563	Found [M+H]+/[M-H]-	Inf	-1.86252571668662	0.136002231579274	Inf	-1.86252571668662	0.136002231579274
-M242T420	242.039685268548	242.039532562818	242.039956877596	420.102881229863	419.729918704956	421.430238734973	4	4	0			485		[M+H]+ 241.032	485	Found [M+H]+/[M-H]-	Inf	-2.070732945069	0.107141160052004	Inf	-2.070732945069	0.107141160052004
-M243T392	243.12313000906	243.123059244063	243.123166228273	392.12612783088	391.592066148964	403.839285481334	6	5	0			266		[M+H]+ 242.116	266	Found [M+H]+/[M-H]-	Inf	-3.02982658895045	0.0387871484375415	Inf	-3.02982658895045	0.0387871484375415
-M243T47	242.94308679815	242.942953609854	242.943338199872	47.2893444194866	46.5036266065663	47.8323797817324	9	5	4		[M+K]+ 203.975	444		[M+H]+ 241.936	444	Found [M+H]+/[M-H]-	2.02814267235811	4.5733920377616	0.00428798539876718	2.02814267235811	4.5733920377616	0.00428798539876718
-M243T51	242.789765750463	242.788420828331	242.790019038526	51.2550832857068	50.8226098386928	51.2879696237028	5	5	0			2345		[M+H]+ 241.782	2345	Found [M+H]+/[M-H]-	Inf	-3.44212687871651	0.0262426349771778	Inf	-3.44212687871651	0.0262426349771778
-M244T302	244.007869952424	244.007765335085	244.007974569762	302.145444864801	301.818222099311	302.472667630291	2	2	0		[M+K]+ 205.043	31		[M+H]+ 243.001	31	Found [M+H]+/[M-H]-	Inf	-1.53254233770739	0.200156838998307	Inf	-1.53254233770739	0.200156838998307
-M244T324	244.045297096757	244.045059204102	244.045534989412	324.232264200763	321.741888279205	326.72264012232	2	2	0			3124		[M+H]+ 243.038	3124	Found [M+H]+/[M-H]-	Inf	-1.63233147277661	0.177946250826305	Inf	-1.63233147277661	0.177946250826305
-M245T415	245.083634381692	245.083454756828	245.083814006555	415.418968986483	415.262506940792	415.575431032173	2	2	0			5190		[M+H]+ 244.076	5190	Found [M+H]+/[M-H]-	Inf	-2.40677225380203	0.0738124341303816	Inf	-2.40677225380203	0.0738124341303816
-M247T303	246.991088935373	246.990853214032	246.991158985886	302.93754867108	302.120483934607	316.554266045442	7	5	0			83		[M+H]+ 245.984	83	Found [M+H]+/[M-H]-	Inf	-2.60114087062237	0.0599760845820618	Inf	-2.60114087062237	0.0599760845820618
-M247T348	247.007737517244	247.007514782773	247.01335144043	347.856499045182	337.477633459623	349.154501642035	5	4	1			25		[M+H]+ 246	25	Found [M+H]+/[M-H]-	180.846244969674	-1.50518058982904	0.206721026936442	180.846244969674	-1.50518058982904	0.206721026936442
-M247T50	246.874678382006	246.873566969038	246.875789794975	50.0789928279138	49.8624328599887	50.2955527958389	2	2	0		[M+K+NaCOOH]+ 139.917	2762		[M+K+NaCOOH]+ 139.917 [M+H]+ 245.867	2762	Found [M+H]+/[M-H]-	54.8211411195333	-5.80292828283088	0.00408189945985038	54.8211411195333	-5.80292828283088	0.00408189945985038
-M247T53	247.039865236882	247.039817243136	247.039913230627	53.0199968408601	52.8917295515643	53.1482641301558	2	2	0			2732		[M+H]+ 246.033	2732	Found [M+H]+/[M-H]-	Inf	-1.47162094161938	0.215094334566027	Inf	-1.47162094161938	0.215094334566027
-M249T302	248.986784517796	248.986685677384	248.986934305099	302.328307592678	301.982771396936	303.444573367983	3	3	0			6088		[M+H]+ 247.98	6088	Found [M+H]+/[M-H]-	Inf	-2.29776759912979	0.0831429968216644	Inf	-2.29776759912979	0.0831429968216644
-M249T329	249.023760509739	249.023211412933	249.024309606544	329.3738121154	329.214299209393	329.533325021407	2	2	0		[3M+2Na+2K-H]3+ 208.062	112		[M+H]+ 248.016	112	Found [M+H]+/[M-H]-	Inf	-1.36195858083173	0.244866751157215	Inf	-1.36195858083173	0.244866751157215
-M249T60	248.983310603845	248.982758217247	248.983719989539	59.8364284402276	58.9085647946475	60.0540724307638	5	5	0			2438		[M+H]+ 247.976	2438	Found [M+H]+/[M-H]-	Inf	-3.26637381943243	0.0308945483347471	Inf	-3.26637381943243	0.0308945483347471
-M250T323	250.054946498146	250.054168701172	250.056823730469	323.034756899446	311.382945001212	325.727120283754	4	3	1			2566		[M+H]+ 249.048	2566	Found [M+H]+/[M-H]-	19.6777974291833	-1.327738499178	0.254307853785952	19.6777974291833	-1.327738499178	0.254307853785952
-M250T334	250.09138149433	250.091252644223	250.091510344436	334.153454466103	333.68856056993	334.618348362276	2	2	0			487		[M+H]+ 249.084	487	Found [M+H]+/[M-H]-	Inf	-1.62463117607482	0.179565625983656	Inf	-1.62463117607482	0.179565625983656
-M251T275	251.077784819717	251.07764701885	251.077941654132	274.917368159533	274.470949939611	276.893362625906	4	4	0			1845		[M+H]+ 250.071	1845	Found [M+H]+/[M-H]-	Inf	-3.44730494449662	0.0261186964890616	Inf	-3.44730494449662	0.0261186964890616
-M251T53	250.860225612352	250.859948565571	250.860502659132	52.7980543993327	51.7944151023409	53.8016936963245	2	2	0			94		[M+H]+ 249.853	94	Found [M+H]+/[M-H]-	Inf	-2.81522127781986	0.0480609947124997	Inf	-2.81522127781986	0.0480609947124997
-M254T240	254.060864590272	254.060851135999	254.060878044544	239.560326733879	238.342580591942	240.778072875816	2	2	0			5833		[M+H]+ 253.054	5833	Found [M+H]+/[M-H]-	Inf	-1.84829498228644	0.13826239591155	Inf	-1.84829498228644	0.13826239591155
-M254T301	254.117878708261	254.116390241965	254.121813831967	300.636166577593	299.64221883204	301.911168877943	4	4	0			3386		[M+H]+ 253.111	3386	Found [M+H]+/[M-H]-	Inf	-2.59468854567099	0.0603848670490914	Inf	-2.59468854567099	0.0603848670490914
-M254T62	254.033912658691	254.033279418945	254.034545898438	62.485119238	61.9491944502939	63.0210440257061	2	2	0			3966		[M+H]+ 253.027	3966	Found [M+H]+/[M-H]-	Inf	-2.22456386298236	0.0901537105413339	Inf	-2.22456386298236	0.0901537105413339
-M256T284	256.076508063172	256.076336336143	256.076537758168	284.013743362671	282.284609221358	284.472634722017	3	3	0			241		[M+H]+ 255.069	241	Found [M+H]+/[M-H]-	Inf	-2.106199822943	0.102930648204982	Inf	-2.106199822943	0.102930648204982
-M256T55	256.058827716699	256.058766031463	256.062133789062	54.6231302124827	48.4444399388781	55.3213118888878	6	5	1			29		[M+H]+ 255.052	29	Found [M+H]+/[M-H]-	332.488007665322	-3.84784069443228	0.0183271306847397	332.488007665322	-3.84784069443228	0.0183271306847397
-M256T92	255.891479492188	255.890670776367	255.892288208008	91.7962343030906	89.5778133245039	94.0146552816773	2	2	0			8977		[M+H]+ 254.884	8977	Found [M+H]+/[M-H]-	Inf	-1.61826294828984	0.180916441161371	Inf	-1.61826294828984	0.180916441161371
-M257T49	256.901916503906	256.900421142578	256.902496032806	49.3792445786766	49.0097321727346	49.8547752377701	5	3	2			2968		[M+H]+ 255.895	2968	Found [M+H]+/[M-H]-	11.2603838766915	-1.83947359267917	0.138166884226686	11.2603838766915	-1.83947359267917	0.138166884226686
-M257T60	256.97693681011	256.976750953263	256.978196188454	60.3287095204177	60.0181506522776	71.1616018983419	5	4	0			2602		[M+H]+ 255.97	2602	Found [M+H]+/[M-H]-	Inf	-5.73019392800017	0.0045926983829121	Inf	-5.73019392800017	0.0045926983829121
-M258T511	257.818200662335	257.818099910748	257.818362358258	511.441453727999	502.661741969542	513.083325202375	3	2	0			7409		[M+H]+ 256.811	7409	Found [M+H]+/[M-H]-	Inf	-1.6730679817588	0.169629188466794	Inf	-1.6730679817588	0.169629188466794
-M259T365	259.027550911481	259.027384279722	259.027688380139	364.672065775709	363.920746097251	373.122638407065	3	3	0	[51][M]+		1962	[51][M]+	[M+H]+ 258.02	1962	Found [M+H]+/[M-H]-	Inf	-1.63444940712988	0.1775035190678	Inf	-1.63444940712988	0.1775035190678
-M259T48	258.91625456403	258.916034381246	258.917088262423	47.6148984089069	47.0176906728535	47.8323797817324	6	2	4			6293		[M+H]+ 257.909	6293	Found [M+H]+/[M-H]-	2.46798247043173	4.0742767034041	0.0107356662925553	2.46798247043173	4.0742767034041	0.0107356662925553
-M259T51	258.763795263101	258.763672294754	258.763918231449	51.0521119957207	50.8226098386928	51.2816141527486	2	2	0			2352		[M+H]+ 257.757	2352	Found [M+H]+/[M-H]-	Inf	-1.72756224401634	0.159135681930704	Inf	-1.72756224401634	0.159135681930704
-M260T282	260.002879146921	260.002873553067	260.002884740775	282.364584009192	281.261556014995	283.467612003389	2	2	0		[M+H-CH2]+ 272.999	114		[M+H]+ 258.996	114	Found [M+H]+/[M-H]-	Inf	-1.41161234631424	0.230908688456902	Inf	-1.41161234631424	0.230908688456902
-M260T314	260.032474710193	260.032321797822	260.032518079404	314.17704782863	313.872693140743	314.852526966497	3	3	0		[3M+2K-H]+ 61.0396 [M+H]+ 259.023	339		[M+H]+ 259.023	339	Found [M+H]+/[M-H]-	Inf	-1.38608862808027	0.23798225836283	Inf	-1.38608862808027	0.23798225836283
-M260T338	260.095470205889	260.095351588879	260.0955888229	338.091087859755	337.848355490106	338.333820229404	2	2	0			3281		[M+H]+ 259.088	3281	Found [M+H]+/[M-H]-	Inf	-2.29648580485285	0.0832603608957545	Inf	-2.29648580485285	0.0832603608957545
-M260T57	260.071728762248	260.071539371659	260.071939193025	57.3407858532816	57.3136908220641	57.5241508065506	3	3	0			45		[M+H]+ 259.064	45	Found [M+H]+/[M-H]-	Inf	-2.36527452064096	0.0772175197890224	Inf	-2.36527452064096	0.0772175197890224
-M262T156	262.018520050589	262.018476889746	262.018915709506	156.360658853558	156.142689231763	157.4966693359	3	3	0			4542		[M+H]+ 261.011	4542	Found [M+H]+/[M-H]-	214.057450791679	-2.16568434883755	0.0962599926560574	214.057450791679	-2.16568434883755	0.0962599926560574
-M262T268	262.074829576849	262.074775931118	262.075292122276	267.822565905554	266.406914930179	270.938492226804	3	2	0			6278		[M+H]+ 261.068	6278	Found [M+H]+/[M-H]-	Inf	-1.60124426856117	0.184578415319482	Inf	-1.60124426856117	0.184578415319482
-M263T322	263.133912815122	263.133539608306	263.134088658828	321.625745119284	312.632332571249	324.231482599427	12	3	4			2658		[M+H]+ 262.127	2658	Found [M+H]+/[M-H]-	4.13696155032679	6.45557258398687	0.00161363458841013	4.13696155032679	6.45557258398687	0.00161363458841013
-M263T333	263.00260980156	263.002587800354	263.002694303357	333.084867824595	332.947607258745	333.202035366126	3	3	0		[M+H-CH3]+ 277.025	92		[M+H]+ 261.995	92	Found [M+H]+/[M-H]-	Inf	-2.16813677563148	0.096010140861797	Inf	-2.16813677563148	0.096010140861797
-M263T398	263.032323184177	263.032295511569	263.032350856784	398.066964829189	397.668549916296	398.465379742082	2	2	0			212		[M+H]+ 262.025	212	Found [M+H]+/[M-H]-	Inf	-1.63216176548409	0.177981776061576	Inf	-1.63216176548409	0.177981776061576
-M263T55	263.083809820029	263.083435655286	263.083965457036	54.8199368553501	54.6738772471652	54.8756850457646	3	3	0			1866		[M+H]+ 262.077	1866	Found [M+H]+/[M-H]-	Inf	-2.87207613194575	0.045373602315204	Inf	-2.87207613194575	0.045373602315204
-M264T321	264.137194551448	264.136269157091	264.137604365988	320.848579520178	313.896625585708	322.052246765262	4	0	3			3531		[M+H]+ 263.13	3531	Found [M+H]+/[M-H]-	17.7740722287523	5.37340329410346	0.00726946737750556	17.7740722287523	5.37340329410346	0.00726946737750556
-M265T48_1	264.879301969676	264.878675258758	264.879928680594	48.2173284051559	48.0328368453438	48.4018199649679	2	2	0			2261		[M+H]+ 263.872	2261	Found [M+H]+/[M-H]-	Inf	-2.12962916005724	0.100249717760155	Inf	-2.12962916005724	0.100249717760155
-M266T253	266.049721648378	266.049477270681	266.049966026074	253.2314414694	251.819594286411	254.643288652388	2	2	0			5812		[M+H]+ 265.042	5812	Found [M+H]+/[M-H]-	Inf	-1.69367676067667	0.165577578142642	Inf	-1.69367676067667	0.165577578142642
-M267T48	266.932249584523	266.932124191274	266.932556152344	48.3944583802121	44.0126984376104	48.6940644590051	3	3	0			59		[M+H]+ 265.925	59	Found [M+H]+/[M-H]-	Inf	-1.91697426929185	0.127715681252555	Inf	-1.91697426929185	0.127715681252555
-M267T52	266.834083188633	266.833561684522	266.834106681781	51.7944151023409	51.6750944685698	52.2375514510493	3	3	0			3639		[M+H]+ 265.827	3639	Found [M+H]+/[M-H]-	Inf	-2.35242960915345	0.0783072712319708	Inf	-2.35242960915345	0.0783072712319708
-M269T51	268.800568467386	268.800049897225	268.801851833525	51.4709659787668	50.3907155634095	52.1558621386612	4	4	0			2354		[M+H]+ 267.793	2354	Found [M+H]+/[M-H]-	Inf	-2.57036343983889	0.0619549724354904	Inf	-2.57036343983889	0.0619549724354904
-M271T492	271.154338551194	271.154090901698	271.154407577932	491.753753673894	478.837312533203	493.199426308285	7	4	0			6177		[M+H]+ 270.147	6177	Found [M+H]+/[M-H]-	Inf	-2.04033453454666	0.110901437010994	Inf	-2.04033453454666	0.110901437010994
-M271T55	271.066638810404	271.066579463639	271.066839430888	55.158247724481	54.8199368553501	55.5721382107767	3	3	0		[M+H]+ 270.055	264		[M+H]+ 270.055	264	Found [M+H]+/[M-H]-	Inf	-4.12230875058221	0.0145849696447446	Inf	-4.12230875058221	0.0145849696447446
-M271T56	271.051004490176	271.050859554078	271.051149426275	55.9824961830053	55.8315828157546	56.1334095502559	2	2	0			2319		[M+H]+ 270.044	2319	Found [M+H]+/[M-H]-	Inf	-2.3779678932461	0.0761574421383293	Inf	-2.3779678932461	0.0761574421383293
-M273T429	273.169887309108	273.169543701357	273.170222631312	429.077780121731	417.284423798403	440.408968913025	7	2	0			4353		[M+H]+ 272.163	4353	Found [M+H]+/[M-H]-	Inf	-1.64484653935877	0.175346696180216	Inf	-1.64484653935877	0.175346696180216
-M273T45	272.958236647093	272.958151454133	272.958366868053	45.2789940623978	45.1329789604735	45.5285035427475	9	5	4	[62][M]+	[M+Na]+ 249.971	101	[62][M]+	[M+H]+ 271.951	101	Found [M+H]+/[M-H]-	6.41657665824545	-3.71398689111301	0.0200829385939922	6.41657665824545	-3.71398689111301	0.0200829385939922
-M273T457	273.170033374162	273.169810706913	273.170322959599	456.928649704182	449.257832130457	465.613341069168	8	3	0			4770		[M+H]+ 272.163	4770	Found [M+H]+/[M-H]-	Inf	-2.47462321322789	0.0686055402427181	Inf	-2.47462321322789	0.0686055402427181
-M273T51	272.842045956514	272.841763135645	272.842164519373	51.2879696237028	49.990186792001	51.7612360112204	5	5	0			2334		[M+H]+ 271.835	2334	Found [M+H]+/[M-H]-	Inf	-5.84754756532702	0.0042657456313524	Inf	-5.84754756532702	0.0042657456313524
-M275T341	275.022352507517	275.022175809067	275.022520692513	340.735270662654	326.558364636689	365.165533721502	11	5	0			3845		[M+H]+ 274.015	3845	Found [M+H]+/[M-H]-	Inf	-1.82708687283736	0.141705974610038	Inf	-1.82708687283736	0.141705974610038
-M275T61	275.007951699466	275.007602421001	275.008300977931	61.152970705293	60.8340103407395	61.4719310698466	2	2	0			1830		[M+H]+ 274.001	1830	Found [M+H]+/[M-H]-	Inf	-3.0713792922799	0.0372428795718895	Inf	-3.0713792922799	0.0372428795718895
-M276T282	275.997578926917	275.997568642112	275.997979808001	281.990468509378	281.261556014995	282.456627817798	3	3	0			2976		[M+H]+ 274.99	2976	Found [M+H]+/[M-H]-	Inf	-1.80123270413933	0.146028781339856	Inf	-1.80123270413933	0.146028781339856
-M277T466	277.020538139281	277.020165306047	277.021014580728	466.495841043763	464.98861588796	467.966110316365	4	4	0			415		[M+H]+ 276.013	415	Found [M+H]+/[M-H]-	Inf	-1.67006889581522	0.170227412672551	Inf	-1.67006889581522	0.170227412672551
-M278T399	278.102376058747	278.102307219194	278.102405200348	398.953874899891	398.651514623902	400.506889629647	3	3	0			278		[M+H]+ 277.095	278	Found [M+H]+/[M-H]-	Inf	-2.29687858465231	0.0832243772663772	Inf	-2.29687858465231	0.0832243772663772
-M279T1005	278.907079685744	278.902309041576	278.907270133457	1004.72770966562	1004.37174911799	1014.45524209444	4	3	1			461		[M+H]+ 277.9	461	Found [M+H]+/[M-H]-	1.16010817442782	-0.624889311640425	0.561297905006621	1.16010817442782	-0.624889311640425	0.561297905006621
-M279T323	279.024513511813	279.022345035685	279.027048609722	322.941383317507	322.248544503453	323.41889684579	4	4	0			2564		[M+H]+ 278.017	2564	Found [M+H]+/[M-H]-	Inf	-3.08768790232365	0.0366565707818696	Inf	-3.08768790232365	0.0366565707818696
-M280T535	279.93850012726	279.938145864804	279.938854389715	535.42397001278	533.59808586742	537.24985415814	2	0	2			4104		[M+H]+ 278.931	4104	Found [M+H]+/[M-H]-	Inf	1.55289148877583	0.218264763137274	Inf	1.55289148877583	0.218264763137274
-M281T1005	280.904390312142	280.904227283362	280.905155372753	1004.66336564583	999.255700557433	1005.24400661913	5	2	3		[3M+H+K]2+ 173.952 [M+K+NaCOOH]+ 173.952	56		[M+H]+ 279.897	56	Found [M+H]+/[M-H]-	1.01967396724894	0.0938975819458298	0.929749460905787	1.01967396724894	0.0938975819458298	0.929749460905787
-M281T416	281.050267776411	281.048706054688	281.051483154297	415.680100719567	410.543318901849	416.574475136047	6	5	1			6598		[M+H]+ 280.043	6598	Found [M+H]+/[M-H]-	72.8188428544914	-3.4536706662302	0.0257765550435987	72.8188428544914	-3.4536706662302	0.0257765550435987
-M281T45	280.940399065918	280.94006947043	280.94078921656	44.6644281954249	44.5200200097318	44.7576272313087	3	0	3			8440		[M+H]+ 279.933	8440	Found [M+H]+/[M-H]-	Inf	2.79412135921353	0.0681848945833359	Inf	2.79412135921353	0.0681848945833359
-M283T1005	282.935846464996	282.935518041836	282.936162273422	1005.3383500204	1004.81630865634	1005.66099620975	8	4	4			6429		[M+H]+ 281.929	6429	Found [M+H]+/[M-H]-	1.14573024166208	-0.707935913349464	0.512657616211789	1.14573024166208	-0.707935913349464	0.512657616211789
-M285T257	285.083071379377	285.082962653012	285.083450817615	256.527708849703	255.951816127393	257.642920671122	3	3	0			6511		[M+H]+ 284.076	6511	Found [M+H]+/[M-H]-	Inf	-2.39004738536593	0.0751639049861934	Inf	-2.39004738536593	0.0751639049861934
-M285T383	285.08605006066	285.085577682107	285.086163326333	382.791152530511	382.431439403927	383.902896550551	3	3	0		[3M+2Na+2K-H]3+ 244.119	14		[M+H]+ 284.079	14	Found [M+H]+/[M-H]-	Inf	-1.52850502146368	0.201113267967028	Inf	-1.52850502146368	0.201113267967028
-M285T51	284.774352656672	284.774237135654	284.774490447448	51.2816141527486	51.2550832857068	51.2879696237028	3	3	0			2355		[M+H]+ 283.767	2355	Found [M+H]+/[M-H]-	Inf	-2.86392785544261	0.0457478145489789	Inf	-2.86392785544261	0.0457478145489789
-M289T45	288.935768041076	288.935651779085	288.935883653691	45.2789940623978	45.1329789604735	45.5285035427475	9	5	4	[70][M]+	[M+K]+ 249.971	101	[70][M]+	[M+H]+ 287.928	101	Found [M+H]+/[M-H]-	2.05821637656133	-2.41371948493769	0.06662880726763	2.05821637656133	-2.41371948493769	0.06662880726763
-M289T51	288.815924071043	288.81571941596	288.816115428854	51.2879696237028	50.3907155634095	51.7612360112204	5	5	0			2351		[M+H]+ 287.809	2351	Found [M+H]+/[M-H]-	Inf	-11.0281927176593	0.000384322014972849	Inf	-11.0281927176593	0.000384322014972849
-M289T57	289.069115606474	289.068492052532	289.06926611433	56.5494747208612	56.3129827788409	60.9465281683414	3	2	0			62		[M+H]+ 288.062	62	Found [M+H]+/[M-H]-	28.6629075622303	-3.36385784270186	0.0269572739075916	28.6629075622303	-3.36385784270186	0.0269572739075916
-M290T314	290.069758175023	290.069353797708	290.073852539062	313.860891698663	313.661465111823	321.681048638871	3	3	0			7982		[M+H]+ 289.062	7982	Found [M+H]+/[M-H]-	Inf	-1.84150464858581	0.139355063669528	Inf	-1.84150464858581	0.139355063669528
-M291T454	291.080189944229	291.080032933864	291.080885708794	453.563681523027	452.704492654162	454.702958938693	5	5	0		[2M+2Na-H]+ 123.058	72		[M+H]+ 290.073	72	Found [M+H]+/[M-H]-	Inf	-1.73107943156334	0.158482357896656	Inf	-1.73107943156334	0.158482357896656
-M291T65	290.982596694343	290.98209202285	290.984782798313	64.9021401552988	64.8057510020662	65.1108686168394	4	4	0			5534		[M+H]+ 289.975	5534	Found [M+H]+/[M-H]-	Inf	-2.9644959939612	0.0413694475648194	Inf	-2.9644959939612	0.0413694475648194
-M291T97	290.982620409214	290.982522356315	290.982718462112	96.6017823208263	95.6557080486438	97.5478565930089	2	2	0			1458		[M+H]+ 289.975	1458	Found [M+H]+/[M-H]-	Inf	-3.42352634783968	0.0266936403806768	Inf	-3.42352634783968	0.0266936403806768
-M294T337	294.116956854005	294.116450586667	294.117463121344	336.658781745017	336.17367603557	337.143887454464	2	2	0			6672		[M+H]+ 293.11	6672	Found [M+H]+/[M-H]-	Inf	-1.99875699732361	0.116281452041788	Inf	-1.99875699732361	0.116281452041788
-M295T265	295.050976184411	295.050631807682	295.05188728267	265.33313134586	264.65415924291	267.822565905554	3	3	0			6367		[M+H]+ 294.044	6367	Found [M+H]+/[M-H]-	Inf	-1.79564332973209	0.146981735669983	Inf	-1.79564332973209	0.146981735669983
-M295T48	294.95276114127	294.952569331928	294.953020807128	47.6307824225939	47.2457230045554	48.140008716771	8	4	4		[M+Na+NaCOOH]+ 203.975	444		[M+H]+ 293.945	444	Found [M+H]+/[M-H]-	1.70691260708675	-1.38911719245987	0.233437253134461	1.70691260708675	-1.38911719245987	0.233437253134461
-M295T51	294.803137698246	294.802642822266	294.803310911858	50.8199609995377	50.740921898288	50.8321383451274	4	4	0			394		[M+H]+ 293.796	394	Found [M+H]+/[M-H]-	Inf	-2.11554654442258	0.101851730922172	Inf	-2.11554654442258	0.101851730922172
-M297T1005	296.881945183849	296.881693462331	296.882503190904	1004.92174306755	1004.23214285714	1006.01814746399	9	5	4			461		[M+H]+ 295.875	461	Found [M+H]+/[M-H]-	1.01379818058413	-0.0949667612456954	0.927004798090513	1.01379818058413	-0.0949667612456954	0.927004798090513
-M299T55	299.060506908309	299.060346772152	299.061006995683	54.8756850457646	54.8199368553501	55.158247724481	3	3	0			1876		[M+H]+ 298.053	1876	Found [M+H]+/[M-H]-	Inf	-2.81192549894533	0.0482223657478089	Inf	-2.81192549894533	0.0482223657478089
-M299T59	299.097563526426	299.097451267586	299.097675785266	59.0424222646994	58.5921290294212	59.4927154999776	2	2	0			4225		[M+H]+ 298.09	4225	Found [M+H]+/[M-H]-	Inf	-1.98310620563473	0.118380162011233	Inf	-1.98310620563473	0.118380162011233
-M301T351	301.076977939135	301.076751938653	301.077149763823	350.562011190667	349.491276047755	352.477516139298	5	5	0			246		[M+H]+ 300.07	246	Found [M+H]+/[M-H]-	Inf	-3.03112607351117	0.0387377307996326	Inf	-3.03112607351117	0.0387377307996326
-M301T51	300.748318474864	300.748277482747	300.748359466982	51.2847918882257	51.2816141527486	51.2879696237028	2	2	0			2341		[M+H]+ 299.741	2341	Found [M+H]+/[M-H]-	Inf	-3.725463188513	0.020377243239847	Inf	-3.725463188513	0.020377243239847
-M302T309	302.135032248	302.134772699153	302.135217682626	309.060272511548	303.36025706245	309.913035365785	7	5	0			5503		[M+H]+ 301.128	5503	Found [M+H]+/[M-H]-	Inf	-3.10790942792957	0.0359445715611597	Inf	-3.10790942792957	0.0359445715611597
-M303T396	303.05348403763	303.053328345895	303.053639729364	396.450864484202	396.011527941951	396.890201026453	2	2	0			7781		[M+H]+ 302.046	7781	Found [M+H]+/[M-H]-	Inf	-1.81175093702726	0.14425334470083	Inf	-1.81175093702726	0.14425334470083
-M303T404	303.097995905925	303.097521707071	303.09932344248	403.544718429742	389.628709288337	404.785284486541	7	5	0			4903		[M+H]+ 302.091	4903	Found [M+H]+/[M-H]-	Inf	-3.47135812448217	0.025552012328709	Inf	-3.47135812448217	0.025552012328709
-M303T51	302.745350828976	302.745350297326	302.745416849644	51.2550832857068	50.8226098386928	51.2816141527486	3	3	0			63		[M+H]+ 301.738	63	Found [M+H]+/[M-H]-	Inf	-3.36795039939177	0.0280970109436243	Inf	-3.36795039939177	0.0280970109436243
-M305T45	304.913380438519	304.913168615757	304.913474582306	45.3184632052688	44.9307952920971	45.5285035427475	8	4	4	[74][M]+	[M+Na]+ 281.922	101	[74][M]+	[M+H]+ 303.906	101	Found [M+H]+/[M-H]-	1.04032479114185	0.117187171688863	0.911767510649968	1.04032479114185	0.117187171688863	0.911767510649968
-M306T373	306.137104589714	306.136739195667	306.13746998376	372.658763299504	372.632963596953	372.684563002056	2	2	0			2531		[M+H]+ 305.13	2531	Found [M+H]+/[M-H]-	Inf	-1.52102424343324	0.202897798066659	Inf	-1.52102424343324	0.202897798066659
-M307T248	307.050572750616	307.050390020708	307.050755480525	247.549943270638	246.108668561831	248.991217979444	2	2	0			2505		[M+H]+ 306.043	2505	Found [M+H]+/[M-H]-	Inf	-1.83126168568225	0.141020897647042	Inf	-1.83126168568225	0.141020897647042
-M307T338	307.039961911943	307.039893556841	307.040030267044	337.99861161604	337.84770002057	338.14952321151	2	2	0		[M+Na]+ 284.056	146		[M+H]+ 306.033	146	Found [M+H]+/[M-H]-	Inf	-1.63023200277181	0.178386257619886	Inf	-1.63023200277181	0.178386257619886
-M307T420	307.123490229446	307.123281398872	307.12369906002	419.738366165211	419.498079093052	419.978653237369	2	2	0			1735		[M+H]+ 306.116	1735	Found [M+H]+/[M-H]-	Inf	-1.60327611453996	0.184137205386417	Inf	-1.60327611453996	0.184137205386417
-M307T45	306.924498407397	306.922409282103	306.925259241699	44.7576272313087	43.4809458223985	50.7820382352548	9	4	4			8442		[M+H]+ 305.917	8442	Found [M+H]+/[M-H]-	2.13590354822244	2.10558062915457	0.0838392707985416	2.13590354822244	2.10558062915457	0.0838392707985416
-M307T737	306.916983214059	306.916932262679	306.917022820129	736.871356043386	734.887408521012	737.869721940606	3	2	1			8484		[M+H]+ 305.91	8484	Found [M+H]+/[M-H]-	1.25337944496463	-0.758734571264529	0.482406263290913	1.25337944496463	-0.758734571264529	0.482406263290913
-M307T773	306.910307098213	306.909432211186	306.916653559271	772.638544969777	760.739755472865	796.909147519833	17	5	3			8693		[M+H]+ 305.903	8693	Found [M+H]+/[M-H]-	1.18032949786493	-1.48391839288972	0.198783564156933	1.18032949786493	-1.48391839288972	0.198783564156933
-M309T44	308.934721834351	308.934631347656	308.934812321046	44.2440215359674	43.7304158406261	44.7576272313087	2	0	2			7152		[M+H]+ 307.927	7152	Found [M+H]+/[M-H]-	Inf	2.13627984457328	0.122282372404267	Inf	2.13627984457328	0.122282372404267
-M310T284	310.114948012933	310.114804304765	310.115032724008	284.117729483876	283.322375266539	285.470696213489	5	5	0			4290		[M+H]+ 309.108	4290	Found [M+H]+/[M-H]-	Inf	-3.46579503131072	0.0256817676546548	Inf	-3.46579503131072	0.0256817676546548
-M313T1007	312.853765794603	312.853484226012	312.854036475292	1007.33699624842	1005.8999455467	1008.90005678408	6	2	4			357		[M+H]+ 311.846	357	Found [M+H]+/[M-H]-	1.76418216787932	1.37572328518512	0.222881342059984	1.76418216787932	1.37572328518512	0.222881342059984
-M313T452	313.118509204837	313.117989191276	313.118818988098	451.592257477457	437.123345425699	452.23857580542	5	4	0			7828		[M+H]+ 312.111	7828	Found [M+H]+/[M-H]-	Inf	-2.55346520481135	0.0630732534528748	Inf	-2.55346520481135	0.0630732534528748
-M313T51_1	312.77420645446	312.774133439292	312.774279469628	50.8273740919101	50.8226098386928	50.8321383451274	2	2	0			394		[M+H]+ 311.767	394	Found [M+H]+/[M-H]-	Inf	-1.73951902998606	0.156926234052161	Inf	-1.73951902998606	0.156926234052161
-M313T51_2	312.862508869506	312.861168642769	312.863849096243	50.8284239811648	49.8624328599887	51.7944151023409	2	2	0			5842		[M+H]+ 311.855	5842	Found [M+H]+/[M-H]-	Inf	-3.79214570567922	0.0192332833800444	Inf	-3.79214570567922	0.0192332833800444
-M314T364	313.877876573821	313.877788807611	313.878618620162	363.932522959861	363.794988521616	365.165533721502	5	5	0			460		[M+H]+ 312.871	460	Found [M+H]+/[M-H]-	85.7326870192928	-3.65278909957411	0.021578561120859	85.7326870192928	-3.65278909957411	0.021578561120859
-M317T51	316.722023385893	316.721811223113	316.722235548672	51.0388465621998	50.8226098386928	51.2550832857068	2	2	0			2328		[M+H]+ 315.715	2328	Found [M+H]+/[M-H]-	Inf	-2.47085363893937	0.0688836075010477	Inf	-2.47085363893937	0.0688836075010477
-M321T1006	320.885504619258	320.884918212891	320.885750438652	1006.05998626337	1003.60096153846	1009.67442110246	11	5	4			4557		[M+H]+ 319.878	4557	Found [M+H]+/[M-H]-	1.27884905722825	1.01692947281213	0.343055614349243	1.27884905722825	1.01692947281213	0.343055614349243
-M321T384	321.055375303472	321.052337646484	321.055878929779	383.6513127124	382.791152530511	393.433022220703	4	3	1			7728		[M+H]+ 320.048	7728	Found [M+H]+/[M-H]-	60.3363192647891	-1.76543142642637	0.152122010082616	60.3363192647891	-1.76543142642637	0.152122010082616
-M323T1005	322.885806150737	322.884683625857	322.886047597459	1004.64107608137	1003.9892582643	1008.93059119095	10	5	4			2221		[M+H]+ 321.879	2221	Found [M+H]+/[M-H]-	1.10830603670205	-0.50469531145339	0.640877628967338	1.10830603670205	-0.50469531145339	0.640877628967338
-M324T1028	323.899652929707	323.899156449426	323.900316839456	1028.07331014206	1020.59826362951	1035.83565519112	4	1	2			8566		[M+H]+ 322.892 [M+H]+ 322.892	8566	Found [M+H]+/[M-H]-	1.36261403999257	1.48780152226815	0.20066238946624	1.36261403999257	1.48780152226815	0.20066238946624
-M325T1006	324.881032455553	324.879736316591	324.882045618129	1005.6172023035	1004.37174911799	1009.32730110289	10	5	4		[M+K]+ 285.914	4544		[M+H]+ 323.874	4544	Found [M+H]+/[M-H]-	1.13193525757731	-0.421398246798058	0.697266804650962	1.13193525757731	-0.421398246798058	0.697266804650962
-M325T414	325.092195882768	325.091979307601	325.092302549254	413.950617103345	403.947022851854	414.631599565668	6	5	0			4065		[M+H]+ 324.085	4065	Found [M+H]+/[M-H]-	Inf	-2.13992562004556	0.0990960956360052	Inf	-2.13992562004556	0.0990960956360052
-M326T308	326.076263161685	326.075190810314	326.081817626953	308.419776853653	304.899165885198	316.593182496593	4	2	1			3364		[M+H]+ 325.069	3364	Found [M+H]+/[M-H]-	29.4831872537894	-1.57396496971928	0.190179718812356	29.4831872537894	-1.57396496971928	0.190179718812356
-M326T326	326.087324109518	326.087005678648	326.087452666592	326.210175059406	325.844146427106	326.72264012232	4	4	0		[M+K]+ 287.121 [M+Na]+ 303.095 [M+H]+ 325.077	2133		[M+H]+ 325.077	2133	Found [M+H]+/[M-H]-	Inf	-1.56728066484698	0.192117498281813	Inf	-1.56728066484698	0.192117498281813
-M327T48	326.903842386392	326.903375249823	326.904754638672	47.7280724016611	47.2893444194866	48.140008716771	8	4	4			7348		[M+H]+ 325.897	7348	Found [M+H]+/[M-H]-	2.28229042670204	2.33586471348839	0.0711146267793772	2.28229042670204	2.33586471348839	0.0711146267793772
-M328T358	328.103088250375	328.102983682336	328.103192818413	357.649103598512	356.999960102696	358.298247094328	2	2	0			6869		[M+H]+ 327.096	6869	Found [M+H]+/[M-H]-	Inf	-1.66690020960394	0.170861868839609	Inf	-1.66690020960394	0.170861868839609
-M328T58	328.060918050083	328.060860997411	328.061212075219	57.8658915495406	57.5241508065506	59.0766980845476	3	3	0		[M+K]+ 289.103 [M+Na]+ 305.077 [M+H]+ 327.058	2091		[M+H]+ 327.058	2091	Found [M+H]+/[M-H]-	Inf	-2.07177674185372	0.107014561643471	Inf	-2.07177674185372	0.107014561643471
-M329T1012	328.826318509179	328.824547786822	328.82679974094	1011.87581464402	1008.49421643553	1023.38581464402	3	0	2			7244		[M+H]+ 327.819	7244	Found [M+H]+/[M-H]-	5.64884690014557	2.24881703794897	0.0955109559820455	5.64884690014557	2.24881703794897	0.0955109559820455
-M329T311_2	329.08070265946	329.080139904909	329.086315805845	310.899402497222	310.571112806032	312.391155871109	3	3	0			505		[M+H]+ 328.073	505	Found [M+H]+/[M-H]-	Inf	-2.06494900144844	0.107845673791392	Inf	-2.06494900144844	0.107845673791392
-M333T496	333.180461453709	333.180401635249	333.18061087928	496.368713852023	494.731342987688	496.638507974246	3	3	0			214		[M+H]+ 332.173	214	Found [M+H]+/[M-H]-	Inf	-1.41424898463285	0.230190000563733	Inf	-1.41424898463285	0.230190000563733
-M335T49	334.918633730793	334.918593144996	334.918674316591	48.5442614196086	48.3944583802121	48.6940644590051	2	2	0			59		[M+H]+ 333.911	59	Found [M+H]+/[M-H]-	Inf	-1.58723856810229	0.187649627583487	Inf	-1.58723856810229	0.187649627583487
-M335T52	334.841445856928	334.840906421691	334.841985292166	51.975138620501	51.7944151023409	52.1558621386612	2	2	0		[M+Na]+ 311.852	3632		[M+H]+ 333.834	3632	Found [M+H]+/[M-H]-	Inf	-1.62948876517736	0.178542296590059	Inf	-1.62948876517736	0.178542296590059
-M337T300	337.077162989981	337.072286881664	337.080856254108	299.950191326981	291.14137524346	311.14095111293	6	2	1			3448		[M+H]+ 336.07	3448	Found [M+H]+/[M-H]-	3.06376880539939	-0.834131984181514	0.439300300920081	3.06376880539939	-0.834131984181514	0.439300300920081
-M338T490	338.190694235378	338.190419186743	338.191497921007	490.468010997573	489.276049763106	491.070423387894	4	4	0			4125		[M+H]+ 337.183	4125	Found [M+H]+/[M-H]-	Inf	-2.87103905694034	0.0454210319432771	Inf	-2.87103905694034	0.0454210319432771
-M339T435	339.107602053087	339.106808300328	339.108074667932	435.097057465871	433.867120974648	443.411809922235	7	5	0			3691		[M+H]+ 338.1	3691	Found [M+H]+/[M-H]-	Inf	-1.27301381343313	0.271968157288854	Inf	-1.27301381343313	0.271968157288854
-M341T349_1	340.888866937272	340.887697551631	340.889303921913	349.079286451013	345.765291021354	356.346327597561	10	5	2			1499		[M+H]+ 339.882	1499	Found [M+H]+/[M-H]-	9.91262811166243	-2.36375311707312	0.0735527441613624	9.91262811166243	-2.36375311707312	0.0735527441613624
-M341T358	341.086979247235	341.08693626913	341.087022225341	357.675155254332	357.445679365451	357.904631143212	2	2	0			6871		[M+H]+ 340.08	6871	Found [M+H]+/[M-H]-	Inf	-1.73673091435178	0.157438520262422	Inf	-1.73673091435178	0.157438520262422
-M341T467	341.123286580807	341.12318916809	341.123394741922	466.970096500128	459.092123900456	468.943197559884	7	4	0			440		[M+H]+ 340.116	440	Found [M+H]+/[M-H]-	Inf	-2.09086400134141	0.104728405666855	Inf	-2.09086400134141	0.104728405666855
-M343T351	342.885797532513	342.885472292829	342.887281052838	350.959499027615	346.249591233381	355.530450666	3	3	0			7013		[M+H]+ 341.879	7013	Found [M+H]+/[M-H]-	Inf	-2.44466923378268	0.070850930063362	Inf	-2.44466923378268	0.070850930063362
-M343T47	342.942810058594	342.942565917969	342.945617675781	46.6790817572645	46.5036266065663	57.3407858532816	3	3	0			6309		[M+H]+ 341.936	6309	Found [M+H]+/[M-H]-	Inf	-2.76559172676237	0.0505588661550123	Inf	-2.76559172676237	0.0505588661550123
-M343T63	343.050079570186	343.047587718304	343.054235971	62.962589583997	62.427203789073	68.1239290152895	4	4	0		[M+Na+CF3COOH]+ 186.066	193		[M+H]+ 342.043	193	Found [M+H]+/[M-H]-	Inf	-9.1090640653583	0.000805645750999506	Inf	-9.1090640653583	0.000805645750999506
-M345T368	345.154681522625	345.154583227528	345.155029296875	368.430936674771	367.780084396633	370.716573680189	5	4	0		[M+H-COCH2]+ 386.158	17		[M+H]+ 344.147	17	Found [M+H]+/[M-H]-	Inf	-2.09142399756724	0.104662152176142	Inf	-2.09142399756724	0.104662152176142
-M347T414	347.164181297398	347.160186415654	347.166589109865	413.513951084317	412.303173613619	414.1285678325	4	4	0			111		[M+H]+ 346.157	111	Found [M+H]+/[M-H]-	Inf	-1.91540182758919	0.127947178583775	Inf	-1.91540182758919	0.127947178583775
-M347T51	346.774661995527	346.77439313349	346.775168436578	51.2077813990735	50.8226098386928	51.2879696237028	5	5	0			2359		[M+H]+ 345.767	2359	Found [M+H]+/[M-H]-	Inf	-7.13284784770922	0.00204282820355317	Inf	-7.13284784770922	0.00204282820355317
-M347T536	347.170043989376	347.17003829043	347.170049688322	536.078843577861	536.056063514784	536.101623640938	2	2	0			458		[M+H]+ 346.163	458	Found [M+H]+/[M-H]-	Inf	-1.87506973285414	0.134042940128878	Inf	-1.87506973285414	0.134042940128878
-M348T284	348.089014803958	348.088174715552	348.089556815519	284.013743362671	283.843956779955	285.470696213489	3	3	0			241		[M+H]+ 347.082	241	Found [M+H]+/[M-H]-	Inf	-2.40721838765754	0.0737767629411252	Inf	-2.40721838765754	0.0737767629411252
-M348T490	348.227869908336	348.227609582033	348.228991636107	490.217468377058	489.76914589731	490.577536470994	3	3	0			6466		[M+H]+ 347.221	6466	Found [M+H]+/[M-H]-	Inf	-2.29845779334534	0.0830798781319484	Inf	-2.29845779334534	0.0830798781319484
-M349T371	349.149602942198	349.149483724198	349.15004252634	370.699132206538	369.680337624108	371.706100655644	4	4	0			7189		[M+H]+ 348.142	7189	Found [M+H]+/[M-H]-	Inf	-3.04367768649718	0.0382641879829566	Inf	-3.04367768649718	0.0382641879829566
-M351T52	350.815623006077	350.81558358777	350.816260381869	52.1558621386612	51.2879696237028	52.7250697854476	3	3	0		[M+K]+ 311.852	3632		[M+H]+ 349.808	3632	Found [M+H]+/[M-H]-	Inf	-2.05122673452547	0.109537624876702	Inf	-2.05122673452547	0.109537624876702
-M352T387	352.092601048473	352.092557170839	352.092644926108	386.753298193061	386.210276167124	387.296320218999	2	2	0			539		[M+H]+ 351.085	539	Found [M+H]+/[M-H]-	Inf	-2.81214740036414	0.048211481074985	Inf	-2.81214740036414	0.048211481074985
-M353T311	353.134456793315	353.134435235609	353.134625436809	310.745322903188	310.086842096105	311.38910471678	4	4	0			6073		[M+H]+ 352.127	6073	Found [M+H]+/[M-H]-	Inf	-1.86842959052873	0.135076267223834	Inf	-1.86842959052873	0.135076267223834
-M353T53	352.84807490784	352.847403861068	352.851961703001	53.2201329125331	53.1404004493558	56.3129827788409	3	3	0			2736		[M+H]+ 351.841	2736	Found [M+H]+/[M-H]-	Inf	-2.14993553530685	0.0979886903158116	Inf	-2.14993553530685	0.0979886903158116
-M356T336	356.097666886482	356.097586899753	356.097746873211	335.901005227463	335.669986869198	336.132023585727	2	2	0		[M+Na+NH3]+ 316.08	502		[M+H]+ 355.09	502	Found [M+H]+/[M-H]-	Inf	-1.72329691286406	0.159931797231753	Inf	-1.72329691286406	0.159931797231753
-M356T481	355.81085341582	355.806774116973	355.811504583165	481.008077895583	476.304387430239	485.298236508249	4	2	1			4084		[M+H]+ 354.804	4084	Found [M+H]+/[M-H]-	1.36587990242163	0.247777627783746	0.816470297802869	1.36587990242163	0.247777627783746	0.816470297802869
-M358T507	358.064242645433	358.063618491183	358.064908767888	507.351965747984	506.162144895373	507.584554362668	6	2	4			6085		[M+H]+ 357.057	6085	Found [M+H]+/[M-H]-	1.38457902266969	-0.812309857954029	0.444300885119468	1.38457902266969	-0.812309857954029	0.444300885119468
-M359T247	359.072892588972	359.072890234425	359.072894943519	247.300120890262	246.108668561831	248.491573218692	2	2	0			2495		[M+H]+ 358.066	2495	Found [M+H]+/[M-H]-	Inf	-2.05743352474508	0.108768735428067	Inf	-2.05743352474508	0.108768735428067
-M359T51_1	358.707381621773	358.707238609866	358.707524633679	51.2683487192277	51.2550832857068	51.2816141527486	2	2	0			2338		[M+H]+ 357.7	2338	Found [M+H]+/[M-H]-	Inf	-2.15082957287394	0.0978904529084828	Inf	-2.15082957287394	0.0978904529084828
-M361T408	361.149568116251	361.149238780846	361.150043108292	408.224152094469	406.814558957014	415.303317325433	7	5	0		[M+Na]+ 338.166	389		[M+H]+ 360.142	389	Found [M+H]+/[M-H]-	Inf	-2.72734085168877	0.0525869673395305	Inf	-2.72734085168877	0.0525869673395305
-M361T51_1	360.704258494011	360.697265625	360.704273638192	51.2815708720365	51.2550832857068	63.9933316462373	3	2	1			2347		[M+H]+ 359.697	2347	Found [M+H]+/[M-H]-	26.1383617535629	-2.09420095314484	0.103378596544584	26.1383617535629	-2.09420095314484	0.103378596544584
-M363T51	362.748451739607	362.747425550832	362.748834411794	51.0552897311978	50.4051967528638	51.7612360112204	4	4	0			2361		[M+H]+ 361.741	2361	Found [M+H]+/[M-H]-	Inf	-4.33856867561109	0.012266735366758	Inf	-4.33856867561109	0.012266735366758
-M363T729	362.873641839877	362.872771961004	362.87451171875	728.775212800403	727.677300058536	729.873125542271	2	2	0			783		[M+H]+ 361.866	783	Found [M+H]+/[M-H]-	Inf	-1.61577006092446	0.181448098376835	Inf	-1.61577006092446	0.181448098376835
-M365T323	365.113118525161	365.109893798828	365.113164677768	322.650616953102	322.248544503453	326.170106042827	3	2	1		[3M+2K-H]+ 96.062	1925		[M+H]+ 364.106	1925	Found [M+H]+/[M-H]-	23.8308353936722	-1.58417935900376	0.187650659998475	23.8308353936722	-1.58417935900376	0.187650659998475
-M367T420	366.904291547983	366.904179092148	366.904822313782	419.737406398973	419.729918704956	420.468356060753	3	3	0			18		[M+H]+ 365.897	18	Found [M+H]+/[M-H]-	Inf	-2.31849779335109	0.0812705189392493	Inf	-2.31849779335109	0.0812705189392493
-M367T503	367.138992068054	367.138533585553	367.139577461137	502.861436495849	487.736146003219	506.324807177322	6	3	0			5196		[M+H]+ 366.132	5196	Found [M+H]+/[M-H]-	Inf	-1.76773721285664	0.151839810723524	Inf	-1.76773721285664	0.151839810723524
-M369T305	369.034459740083	369.033891236708	369.035028243459	304.715661516113	303.98571198581	305.445611046416	2	2	0			3132		[M+H]+ 368.027	3132	Found [M+H]+/[M-H]-	Inf	-1.78280351455727	0.149196074344237	Inf	-1.78280351455727	0.149196074344237
-M369T494	369.153223593798	369.148886515626	369.156096102416	493.756568870316	491.257570630353	496.847520030027	7	5	0			324		[M+H]+ 368.146	324	Found [M+H]+/[M-H]-	Inf	-1.6956068126407	0.165203379372053	Inf	-1.6956068126407	0.165203379372053
-M369T504	369.173147335121	369.173004537611	369.173294199007	504.338223586684	499.736356329699	508.746161959637	10	5	0			2404		[M+H]+ 368.166	2404	Found [M+H]+/[M-H]-	Inf	-2.33129908011315	0.0801379751542572	Inf	-2.33129908011315	0.0801379751542572
-M371T50	370.734888005452	370.73384800125	370.736034662515	50.3907155634095	49.990186792001	50.8173121603827	3	3	0		[3M+2K-H]+ 97.9384	97		[M+H]+ 369.728	97	Found [M+H]+/[M-H]-	Inf	-2.33766554107381	0.0795813624965933	Inf	-2.33766554107381	0.0795813624965933
-M372T508	372.171742220276	372.171538938263	372.17194550229	507.670371844467	507.066736541113	508.274007147821	2	2	0			7035		[M+H]+ 371.164	7035	Found [M+H]+/[M-H]-	Inf	-1.40916858877407	0.231576797277983	Inf	-1.40916858877407	0.231576797277983
-M373T352	373.103111024295	373.101328757012	373.103715529056	351.533944689738	351.105091158035	353.437553596145	3	3	0			4009		[M+H]+ 372.096	4009	Found [M+H]+/[M-H]-	Inf	-2.15639508522097	0.0972813670755852	Inf	-2.15639508522097	0.0972813670755852
-M374T372	374.115915806801	374.109433431356	374.116052999611	372.191315432226	364.281368116225	372.904727122929	3	3	0			105		[M+H]+ 373.109	105	Found [M+H]+/[M-H]-	Inf	-1.92971697657835	0.125856356625937	Inf	-1.92971697657835	0.125856356625937
-M376T353	376.217734190238	376.217383945187	376.218026349347	353.493933541477	352.017546349235	354.608411212611	7	3	4		[M+K]+ 337.249	471		[M+H]+ 375.21	471	Found [M+H]+/[M-H]-	2.76956129637141	3.28175425630182	0.0153605727564661	2.76956129637141	3.28175425630182	0.0153605727564661
-M377T378	377.016479460277	377.016363792321	377.016548049035	377.519310634046	374.425817901162	379.038187273704	3	3	0			144		[M+H]+ 376.009	144	Found [M+H]+/[M-H]-	Inf	-1.51638682003513	0.204012152231595	Inf	-1.51638682003513	0.204012152231595
-M381T294	380.974681887912	380.973686165486	380.975677610338	293.772919494438	293.070669572271	294.475169416604	2	2	0			10		[M+H]+ 379.967	10	Found [M+H]+/[M-H]-	Inf	-1.61840492829843	0.180886209869185	Inf	-1.61840492829843	0.180886209869185
-M385T433	385.148076083762	385.148014828612	385.148885188993	432.71904351469	432.027957184044	433.635704685427	3	3	0			3814		[M+H]+ 384.141	3814	Found [M+H]+/[M-H]-	Inf	-2.30320317519427	0.0826473669780443	Inf	-2.30320317519427	0.0826473669780443
-M386T431	386.189541604676	386.18947592875	386.189607280602	430.80791527106	428.727027260229	432.888803281891	2	2	0			7365		[M+H]+ 385.182	7365	Found [M+H]+/[M-H]-	Inf	-1.63187740481273	0.17804131851652	Inf	-1.63187740481273	0.17804131851652
-M386T433	386.151294971584	386.151156432429	386.151433510739	433.421051612666	432.71904351469	434.123059710641	2	2	0			47		[M+H]+ 385.144	47	Found [M+H]+/[M-H]-	Inf	-1.62365555098601	0.179771891677827	Inf	-1.62365555098601	0.179771891677827
-M387T396	387.201619439517	387.201483448013	387.201866190751	395.518885563034	394.875757945368	397.08153121924	5	5	0			3494		[M+H]+ 386.194	3494	Found [M+H]+/[M-H]-	Inf	-1.61436321598861	0.181748851469845	Inf	-1.61436321598861	0.181748851469845
-M387T419	387.184002597632	387.179193617068	387.184346008977	419.077723332698	417.779722028301	420.461230277245	5	5	0			175		[M+H]+ 386.177	175	Found [M+H]+/[M-H]-	Inf	-1.4538706753293	0.219655419192871	Inf	-1.4538706753293	0.219655419192871
-M388T387	388.060697824601	388.060637076151	388.060758573051	386.996777394273	386.697234569547	387.296320218999	2	2	0			8291		[M+H]+ 387.053	8291	Found [M+H]+/[M-H]-	Inf	-2.10003673409801	0.103648988176451	Inf	-2.10003673409801	0.103648988176451
-M389T400	389.217229423615	389.217072292844	389.217671308404	400.416209443794	399.619476738922	401.328525478552	5	5	0			4442		[M+H]+ 388.21	4442	Found [M+H]+/[M-H]-	Inf	-1.80858247651622	0.14478572639011	Inf	-1.80858247651622	0.14478572639011
-M389T437	389.217095917825	389.216948316545	389.217611299993	436.722063444441	433.173591052493	438.00413334797	6	4	0			309		[M+H]+ 388.21	309	Found [M+H]+/[M-H]-	Inf	-1.77130789597989	0.151208773740036	Inf	-1.77130789597989	0.151208773740036
-M389T45	388.935751884604	388.935639107448	388.935882568359	45.4458714614102	45.1420341854799	45.6137404804367	4	3	1			2844		[M+H]+ 387.928	2844	Found [M+H]+/[M-H]-	41.688957516204	-2.44837292137605	0.0701131770333263	41.688957516204	-2.44837292137605	0.0701131770333263
-M390T436	390.220427188093	390.220062712071	390.220838804063	435.865574659228	433.698355803669	438.00413334797	4	2	0			2286		[M+H]+ 389.213	2286	Found [M+H]+/[M-H]-	Inf	-1.52331016988743	0.202350785098146	Inf	-1.52331016988743	0.202350785098146
-M391T310	391.10360646719	391.103540924697	391.103711139357	310.009679446113	309.590259925293	310.405710365239	4	4	0		[M+H]+ 390.093	23		[M+H]+ 390.093	23	Found [M+H]+/[M-H]-	Inf	-2.8201386500788	0.0478213896538708	Inf	-2.8201386500788	0.0478213896538708
-M393T370	393.049146572012	393.049120650556	393.049172493468	369.87456314261	368.707308308432	371.041817976789	2	2	0			4150		[M+H]+ 392.042 [M+H]+ 392.042	4150	Found [M+H]+/[M-H]-	Inf	-1.69780820052666	0.16477765976972	Inf	-1.69780820052666	0.16477765976972
-M398T434	397.997987159634	397.99292490153	398.000255739612	434.398791528722	406.625520323022	449.502874491795	10	1	3			7995		[M+H]+ 396.991	7995	Found [M+H]+/[M-H]-	1.0715625788681	0.143395266191385	0.890311139431375	1.0715625788681	0.143395266191385	0.890311139431375
-M403T271	403.108774034895	403.108742694702	403.108805375088	271.353136309588	269.8337643483	272.872508270876	2	2	0			156		[M+H]+ 402.101	156	Found [M+H]+/[M-H]-	Inf	-2.00334334576068	0.115674179267917	Inf	-2.00334334576068	0.115674179267917
-M405T340	405.212241244628	405.211728522734	405.212466828965	339.832171679873	339.326427009366	341.733341675605	4	4	0			6327		[M+H]+ 404.205	6327	Found [M+H]+/[M-H]-	Inf	-3.05044481994121	0.0380116960897761	Inf	-3.05044481994121	0.0380116960897761
-M409T47	408.933074951172	408.932510343539	408.933481508875	47.2893444194866	46.5874147234747	47.312894757857	3	3	0		[2M+H]+ 203.975	444		[M+H]+ 407.926	444	Found [M+H]+/[M-H]-	Inf	-2.1132814971231	0.10211203707463	Inf	-2.1132814971231	0.10211203707463
-M411T1005	410.861944222252	410.86097679709	410.863035053369	1005.43178723462	1004.37174911799	1005.81085297771	4	2	2			6430		[M+H]+ 409.855	6430	Found [M+H]+/[M-H]-	1.39241234729262	-0.424140074193788	0.684198703159795	1.39241234729262	-0.424140074193788	0.684198703159795
-M413T1004	412.893424874977	412.893183295474	412.89351701916	1004.45832098094	1004.37174911799	1005.6277562833	3	1	2			2222		[M+H]+ 411.886	2222	Found [M+H]+/[M-H]-	1.2886040901234	0.384987713260345	0.716317484091937	1.2886040901234	0.384987713260345	0.716317484091937
-M413T434	413.199169603437	413.199162016898	413.199521746712	433.655180504409	433.206689361401	434.123059710641	3	3	0			6033		[M+H]+ 412.192	6033	Found [M+H]+/[M-H]-	Inf	-1.73893495204494	0.157033405737969	Inf	-1.73893495204494	0.157033405737969
-M416T643	416.081500376657	416.080394025443	416.081855332296	642.913846166646	636.074289892943	654.827879843332	7	4	2			8876		[M+H]+ 415.074	8876	Found [M+H]+/[M-H]-	1.06839487901525	0.10791868865868	0.92012591506522	1.06839487901525	0.10791868865868	0.92012591506522
-M427T344	427.006530537592	427.006125618819	427.007080078125	344.017998204954	342.804479587958	346.710632611404	3	3	0			5868		[M+H]+ 425.999	5868	Found [M+H]+/[M-H]-	Inf	-1.46141810705949	0.217704250729132	Inf	-1.46141810705949	0.217704250729132
-M431T416	431.181329586113	431.181174145922	431.181496518401	416.101170390247	414.822097567148	417.548164271395	3	3	0			1860		[M+H]+ 430.174	1860	Found [M+H]+/[M-H]-	Inf	-1.61102748907612	0.182464027280398	Inf	-1.61102748907612	0.182464027280398
-M431T475	431.173608671405	431.171539306641	431.174921113698	475.369760673371	473.915913818846	475.87445923857	5	5	0			291		[M+H]+ 430.166	291	Found [M+H]+/[M-H]-	Inf	-3.07337785008289	0.0371704410688634	Inf	-3.07337785008289	0.0371704410688634
-M441T425	441.165210195991	441.163682340899	441.166286232073	424.870491003868	424.158233136534	425.805275360254	3	3	0			355		[M+H]+ 440.158	355	Found [M+H]+/[M-H]-	Inf	-1.96363080664011	0.121049725531424	Inf	-1.96363080664011	0.121049725531424
-M445T378	445.053073359717	445.052818753958	445.053327965476	378.275938461623	377.994412606228	378.557464317018	2	2	0		[M+K]+ 406.09	12		[M+H]+ 444.046	12	Found [M+H]+/[M-H]-	Inf	-1.32166448400495	0.256801866329857	Inf	-1.32166448400495	0.256801866329857
-M445T517	445.160420111751	445.159970540249	445.161319517715	516.638537263276	516.348888956524	516.897385610619	4	4	0		[3M+2Na+2K-H]3+ 404.193	76		[M+H]+ 444.153	76	Found [M+H]+/[M-H]-	Inf	-2.03602453063364	0.111446239719703	Inf	-2.03602453063364	0.111446239719703
-M447T438	447.222394808586	447.222176438356	447.225347088723	438.49730382192	436.948045999057	438.604639521071	3	3	0			4990		[M+H]+ 446.215	4990	Found [M+H]+/[M-H]-	Inf	-1.97555342163533	0.119407742686441	Inf	-1.97555342163533	0.119407742686441
-M447T727	447.169952973018	447.169407344861	447.170856201544	726.951331021591	722.937197453081	730.568552428223	8	4	4			462		[M+H]+ 446.163	462	Found [M+H]+/[M-H]-	1.11147583015642	0.487774092774386	0.640756465291498	1.11147583015642	0.487774092774386	0.640756465291498
-M451T655	451.259654161878	451.259318241227	451.259823585661	654.827879843332	653.876381328338	654.933566705796	3	3	0		[3M+2Na+2K-H]3+ 410.291	159		[M+H]+ 450.252	159	Found [M+H]+/[M-H]-	Inf	-2.22563302037228	0.0900466655445795	Inf	-2.22563302037228	0.0900466655445795
-M465T545	464.971961552975	464.971506078367	464.972498769866	544.858097400289	544.849207786727	545.265755771312	3	3	0			568		[M+H]+ 463.965	568	Found [M+H]+/[M-H]-	Inf	-1.70712150856261	0.16298932592144	Inf	-1.70712150856261	0.16298932592144
-M466T545	465.97548360716	465.97476546415	465.97620175017	545.0619265858	544.858097400289	545.265755771312	2	2	0			7101		[M+H]+ 464.968	7101	Found [M+H]+/[M-H]-	Inf	-1.31852096510875	0.25775652386559	Inf	-1.31852096510875	0.25775652386559
-M467T545	466.968758520551	466.968087512642	466.969573974609	544.858097400289	540.022523549179	545.265755771312	3	3	0			7100		[M+H]+ 465.961	7100	Found [M+H]+/[M-H]-	Inf	-1.67677520609627	0.168892757030171	Inf	-1.67677520609627	0.168892757030171
-M471T47	470.903900146484	470.903289794922	470.904205322266	46.6614736147476	46.5036266065663	46.6790817572645	3	3	0			6312		[M+H]+ 469.897	6312	Found [M+H]+/[M-H]-	Inf	-2.44854089356896	0.0705560513625181	Inf	-2.44854089356896	0.0705560513625181
-M475T434	475.14975846931	475.149495505553	475.150021433066	433.667030244548	433.635704685427	433.698355803669	2	2	0			6035		[M+H]+ 474.142	6035	Found [M+H]+/[M-H]-	Inf	-1.60287099722134	0.184225088265297	Inf	-1.60287099722134	0.184225088265297
-M481T488	481.20697051409	481.206826775812	481.207085415891	487.769126447969	487.290809110185	488.725000605613	5	5	0			255		[M+H]+ 480.2	255	Found [M+H]+/[M-H]-	Inf	-1.98891935822285	0.117595844155827	Inf	-1.98891935822285	0.117595844155827
-M483T455	483.250154689907	483.248502558168	483.251806821646	454.508808578783	454.314658218874	454.702958938693	2	2	0			204		[M+H]+ 482.243	204	Found [M+H]+/[M-H]-	Inf	-1.66697325537557	0.170847215257564	Inf	-1.66697325537557	0.170847215257564
-M487T47	486.881176911879	486.880310058594	486.882385253906	46.6229259848138	46.5036266065663	46.6790817572645	4	4	0			6313		[M+H]+ 485.874	6313	Found [M+H]+/[M-H]-	Inf	-2.14755003359936	0.0982513472470212	Inf	-2.14755003359936	0.0982513472470212
-M487T654	487.226608122837	487.226309784251	487.226906461423	654.081939307172	653.876381328338	654.287497286007	2	2	0		[M+K]+ 448.258	880		[M+H]+ 486.219	880	Found [M+H]+/[M-H]-	Inf	-1.60691863103177	0.183348975602879	Inf	-1.60691863103177	0.183348975602879
-M491T393	491.15616534765	491.154912615204	491.157418080095	392.622595009617	391.592066148964	393.65312387027	2	2	0			4855		[M+H]+ 490.149	4855	Found [M+H]+/[M-H]-	Inf	-1.29790951180406	0.264102020909296	Inf	-1.29790951180406	0.264102020909296
-M497T436	497.22865985226	497.227319334354	497.232391357422	435.562174658281	434.850477702713	436.550212764692	4	4	0			60		[M+H]+ 496.221	60	Found [M+H]+/[M-H]-	Inf	-1.52180807220797	0.202710061260212	Inf	-1.52180807220797	0.202710061260212
-M503T518	503.22162663064	503.221325665978	503.221836553936	517.574242986207	515.319575308096	519.758090664207	4	2	0			5263		[M+H]+ 502.214	5263	Found [M+H]+/[M-H]-	Inf	-1.5925456244701	0.186479708884656	Inf	-1.5925456244701	0.186479708884656
-M504T520	504.22554162733	504.225300207627	504.225783047033	519.711850224673	519.665609785139	519.758090664207	2	2	0			5214		[M+H]+ 503.218	5214	Found [M+H]+/[M-H]-	Inf	-1.63216174288119	0.177981780793587	Inf	-1.63216174288119	0.177981780793587
-M519T454	519.21576636572	519.213256835938	519.218565612568	454.314658218874	444.823929276399	454.702958938693	3	3	0			204		[M+H]+ 518.208	204	Found [M+H]+/[M-H]-	Inf	-1.78146212661122	0.149429452395154	Inf	-1.78146212661122	0.149429452395154
-M519T46	518.895871108706	518.893060576787	518.898681640625	46.0286461813486	46.018742776256	46.0385495864412	2	2	0			6314		[M+H]+ 517.889	6314	Found [M+H]+/[M-H]-	Inf	-2.35928282748964	0.0777237023940596	Inf	-2.35928282748964	0.0777237023940596
-M524T353	524.33059784634	524.327407964818	524.334932378496	353.055634045196	343.775887067181	361.951974415093	4	2	1			2475		[M+H]+ 523.323	2475	Found [M+H]+/[M-H]-	8.97210777056487	-1.42700345770314	0.222526944639204	8.97210777056487	-1.42700345770314	0.222526944639204
-M526T465	526.273267626581	526.272815324395	526.273719928767	465.310947667429	465.122701745906	465.499193588953	2	2	0			5492		[M+H]+ 525.266	5492	Found [M+H]+/[M-H]-	Inf	-1.6094434356219	0.182804668179346	Inf	-1.6094434356219	0.182804668179346
-M530T351	530.223445965136	530.222971453925	530.223920476346	350.87600977551	350.223280108963	351.528739442058	2	2	0			4345		[M+H]+ 529.216	4345	Found [M+H]+/[M-H]-	Inf	-1.58196247709378	0.188820236442732	Inf	-1.58196247709378	0.188820236442732
-M541T449	541.253482133701	541.253266315565	541.253697951836	449.351526681585	448.908427008875	449.794626354296	2	2	0		[3M+2Na+2K-H]3+ 500.286	127		[M+H]+ 540.246	127	Found [M+H]+/[M-H]-	Inf	-1.43356721645693	0.224991948993155	Inf	-1.43356721645693	0.224991948993155
-M543T423	543.270669846877	543.269159433075	543.27218026068	423.38027855043	422.906702684041	423.853854416818	2	2	0			675		[M+H]+ 542.263	675	Found [M+H]+/[M-H]-	Inf	-1.62479093748512	0.179531872836614	Inf	-1.62479093748512	0.179531872836614
-M54T468	53.8198507856852	53.8174234586896	53.8202382908093	467.566456178757	453.496964874538	475.476895918056	4	1	2			3227		[M+H]+ 52.8126	3227	Found [M+H]+/[M-H]-	1.09208802537555	0.076280962256747	0.941441773134348	1.09208802537555	0.076280962256747	0.941441773134348
-M55T380	54.5962586774994	54.5949211120605	54.5975962429383	379.954398489228	378.088764377051	381.820032601405	2	2	0			1342		[M+H]+ 53.589	1342	Found [M+H]+/[M-H]-	Inf	-1.41482194151034	0.230034120599514	Inf	-1.41482194151034	0.230034120599514
-M65T329	64.9470832654489	64.9460601806641	64.9481063502336	329.155101965955	324.71564086857	333.594563063341	2	2	0			2856		[M+H]+ 63.9398	2856	Found [M+H]+/[M-H]-	Inf	-1.52080084475342	0.202951337316363	Inf	-1.52080084475342	0.202951337316363
-M69T360	68.5217170715332	68.5191802978516	68.5242538452148	359.673462828629	355.551937135641	363.794988521616	2	2	0			262		[M+H]+ 67.5144	262	Found [M+H]+/[M-H]-	Inf	-1.57031720473371	0.191430715762585	Inf	-1.57031720473371	0.191430715762585
-M73T455	73.042656248927	73.0421759011744	73.0431365966797	454.602963557062	452.576458962273	456.629468151851	2	2	0			3896		[M+H]+ 72.0354	3896	Found [M+H]+/[M-H]-	Inf	-2.18517513913088	0.094198223429578	Inf	-2.18517513913088	0.094198223429578
-M73T54	72.943079154868	72.9430570226702	72.9432177076005	53.7035746392664	52.2094235483546	54.3525769271825	5	4	1			1900		[M+H]+ 71.9358	1900	Found [M+H]+/[M-H]-	17.3641305066288	-1.64493767327146	0.173904093832919	17.3641305066288	-1.64493767327146	0.173904093832919
-M77T61	77.0066520269921	77.00654822463	77.0101278808137	60.5025054312122	59.4341436628182	61.0397450513143	5	5	0			84		[M+H]+ 75.9994	84	Found [M+H]+/[M-H]-	Inf	-8.16749110727219	0.00122347244112264	Inf	-8.16749110727219	0.00122347244112264
-M78T435	77.7379382876298	77.7341995239258	77.7416770513339	434.75225785091	433.654532402914	435.849983298905	2	0	2			3685		[M+H]+ 76.7307	3685	Found [M+H]+/[M-H]-	Inf	2.2109236803094	0.114003340598802	Inf	2.2109236803094	0.114003340598802
-M81T53	80.9747865690196	80.9747476642569	80.9748323169076	52.7535300897919	49.9482648563086	68.6267991730921	12	5	3			2712		[M+H]+ 79.9675	2712	Found [M+H]+/[M-H]-	55.643969622804	-16.7143142011727	6.6167615008883e-05	55.643969622804	-16.7143142011727	6.6167615008883e-05
-M83T52	82.971809471534	82.9717874368315	82.9719042943221	52.3341372188327	51.4610251394509	65.2890724463955	9	5	3			2713		[M+H]+ 81.9645	2713	Found [M+H]+/[M-H]-	76.035201103042	-14.3372258721169	0.000127321320986695	76.035201103042	-14.3372258721169	0.000127321320986695
-M86T311_2	86.0225629740722	86.0212608901801	86.0259255010638	310.571112806032	303.444573367983	318.315776650148	3	2	0			6064		[M+H]+ 85.0153	6064	Found [M+H]+/[M-H]-	3.58389168275239	-1.83273114515873	0.11058221674637	3.58389168275239	-1.83273114515873	0.11058221674637
-M86T365	86.0376198837794	86.0334535737112	86.0417861938477	365.194405890584	361.490336293474	368.898475487694	2	0	2			2700		[M+H]+ 85.0303	2700	Found [M+H]+/[M-H]-	1.35902998830744	0.419826952896832	0.689757755476522	1.35902998830744	0.419826952896832	0.689757755476522
-M86T419	86.0236408547756	86.0180929979031	86.0256179663797	419.488400614393	407.274452193971	426.34541610187	6	2	0			1728		[M+H]+ 85.0164	1728	Found [M+H]+/[M-H]-	3.9910944370495	-1.99764848698304	0.087945013683814	3.9910944370495	-1.99764848698304	0.087945013683814
-M87T337	87.0199502464982	87.019907261533	87.0267369890098	336.857160220154	328.932758486912	344.28868709373	7	3	1			4643		[M+H]+ 86.0127	4643	Found [M+H]+/[M-H]-	1.0231555537257	0.0216918661556346	0.983578214014113	1.0231555537257	0.0216918661556346	0.983578214014113
-M88T3	88.003937285107	88.003870306136	88.0039746411383	2.71092167699327	1.92957542883381	3.49564865755637	3	2	1			6803		[M+H]+ 86.9967	6803	Found [M+H]+/[M-H]-	2.33576893925853	-1.25666602118248	0.24997178856222	2.33576893925853	-1.25666602118248	0.24997178856222
-M88T458	88.0185585021973	88.0152587890625	88.021858215332	457.959290701411	452.676572903508	463.242008499313	2	0	2			5602		[M+H]+ 87.0113	5602	Found [M+H]+/[M-H]-	Inf	1.44852163980223	0.243310495086352	Inf	1.44852163980223	0.243310495086352
-M89T64	89.0243134715871	89.024305313763	89.0243231692396	63.8922475455658	63.3707071240408	63.9963946755224	5	4	1		[M+H]+ 88.0182	7		[M+H]+ 88.0182	7	Found [M+H]+/[M-H]-	16.1528119551747	-1.03515204589124	0.359042148560027	16.1528119551747	-1.03515204589124	0.359042148560027
-M91T1	91.0033922955555	91.0033753323285	91.0067366323557	1.41157542883381	1.35357583604733	2.35198434456501	3	2	1			1749		[M+H]+ 89.9961	1749	Found [M+H]+/[M-H]-	3.15067858492482	-2.98969115607355	0.0469844699556694	3.15067858492482	-2.98969115607355	0.0469844699556694
-M91T339	91.0392595211286	91.0369474170237	91.0413033140847	339.179079677904	333.806024335278	343.775887067181	4	2	1			4054		[M+H]+ 90.032	4054	Found [M+H]+/[M-H]-	1.27508799527139	-0.767595915184883	0.47263895614649	1.27508799527139	-0.767595915184883	0.47263895614649
-M91T39	91.0058136949774	91.0057984660018	91.005828923953	39.3535347020167	37.2530586504323	41.4540107536011	2	2	0			158		[M+H]+ 89.9985	158	Found [M+H]+/[M-H]-	1.92573609266283	-2.67072815023994	0.0381096040398106	1.92573609266283	-2.67072815023994	0.0381096040398106
-M91T423	90.9909457133066	90.9907158124115	90.9913751844474	422.858327731071	422.212797352317	423.368109719466	4	2	2			5339		[M+H]+ 89.9837	5339	Found [M+H]+/[M-H]-	1.15287316165338	0.370332731499949	0.735566188411213	1.15287316165338	0.370332731499949	0.735566188411213
-M91T489	91.0061254704578	91.0056699208023	91.006897304032	489.18888042301	475.866300646512	500.998044796665	11	4	3			5127		[M+H]+ 89.9988	5127	Found [M+H]+/[M-H]-	1.42711085805442	-1.39306056669814	0.234314698378762	1.42711085805442	-1.39306056669814	0.234314698378762
-M93T1139	93.007435459113	93.0074176861003	93.0075309882347	1138.62792777493	1138.27211147432	1140.13540632002	4	3	1		[M+Na]+ 70.0196	1572		[M+H]+ 92.0002	1572	Found [M+H]+/[M-H]-	1.59009319750693	-0.681982679785331	0.523170237759166	1.59009319750693	-0.681982679785331	0.523170237759166
-M94T350	94.3168182373047	94.3153457641602	94.3189315795898	349.607330357367	347.735718771342	358.059383781547	3	2	1			1473		[M+H]+ 93.3095	1473	Found [M+H]+/[M-H]-	2.80229014861983	-0.90073218215456	0.401405710076714	2.80229014861983	-0.90073218215456	0.401405710076714
-M95T318	95.049995288381	95.0499807014968	95.0500098752651	317.554122209402	317.280399895152	317.827844523652	2	2	0			2905		[M+H]+ 94.0427	2905	Found [M+H]+/[M-H]-	Inf	-1.94473686063201	0.12370242993634	Inf	-1.94473686063201	0.12370242993634
-M95T51	94.9248156739247	94.9247322803157	94.9248737933546	51.2847918882257	50.3907155634095	51.7152796793536	8	5	3		[M+Na]+ 71.9347 [M+2Na]2+ 143.871	63		[M+H]+ 93.9175	63	Found [M+H]+/[M-H]-	37.4722940942457	-4.91560913738868	0.00781676528602571	37.4722940942457	-4.91560913738868	0.00781676528602571
-M99T61	98.9555595192691	98.9554203289135	98.9590278194966	60.5444205123284	48.0328368453438	77.1960803122144	15	5	1			2597		[M+H]+ 97.9483	2597	Found [M+H]+/[M-H]-	203.432997864313	-5.93938762972869	0.00402557203229015	203.432997864313	-5.93938762972869	0.00402557203229015
--- a/tool_dependencies.xml	Mon Feb 22 16:49:04 2016 -0500
+++ b/tool_dependencies.xml	Mon Apr 25 11:07:23 2016 -0400
@@ -1,12 +1,12 @@
 <?xml version="1.0"?>
 <tool_dependency>
     <package name="R" version="3.1.2">
-        <repository changeset_revision="c987143177d4" name="package_r_3_1_2" owner="iuc" toolshed="https://toolshed.g2.bx.psu.edu" />
+        <repository changeset_revision="4d2fd1413b56" name="package_r_3_1_2" owner="iuc" toolshed="https://toolshed.g2.bx.psu.edu" />
     </package>
-    <package name="camera" version="1.22.0">
-        <repository changeset_revision="845eb883bd1b" name="package_r_camera_1_22_0" owner="lecorguille" toolshed="https://toolshed.g2.bx.psu.edu" />
+    <package name="bioconductor-camera" version="1.26.0">
+        <repository changeset_revision="fd308c76626b" name="package_bioconductor_camera_1_26_0" owner="lecorguille" toolshed="https://toolshed.g2.bx.psu.edu" />
     </package>
-    <package name="camera_w4m_script" version="2.2.1">
-        <repository changeset_revision="91b0d23c9d52" name="package_camera_w4m_script_2_2_1" owner="lecorguille" toolshed="https://toolshed.g2.bx.psu.edu" />
+    <package name="graphicsmagick" version="1.3.20">
+        <repository changeset_revision="f2855f4cbc8f" name="package_graphicsmagick_1_3_20" owner="iuc" toolshed="https://toolshed.g2.bx.psu.edu" />
     </package>
 </tool_dependency>