Mercurial > repos > computational-metabolomics > mspurity_createmsp
changeset 9:3d92b95cf6c0 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 20a48a1862267264f98b7c514287f9a5cba1143f
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--- a/README.rst Wed Jun 12 16:04:05 2024 +0000 +++ b/README.rst Thu Jun 13 11:38:36 2024 +0000 @@ -3,13 +3,13 @@ |Git| |Bioconda| |License| -Version v1.16.2+galaxy2 +Version v1.28.0+galaxy0 ------------------------ - msPurity - - bioconductor-mspurity v1.16.2 + - bioconductor-mspurity v1.28.0 - Galaxy tools - - v2 + - v0 About ------ @@ -26,10 +26,8 @@ * Bioconductor: http://bioconductor.org/packages/msPurity/ * Vignette: https://bioconductor.org/packages/devel/bioc/vignettes/msPurity/inst/doc/msPurity-vignette.html * Manual: http://bioconductor.org/packages/devel/bioc/manuals/msPurity/man/msPurity.pdf -* Bioconductor mirror code: https://github.com/Bioconductor-mirror/msPurity * Github code: https://github.com/computational-metabolomics/mspurity * Bioconda (stable): https://anaconda.org/bioconda/bioconductor-mspurity -* Conda (dev and testing): https://anaconda.org/tomnl/bioconductor-mspurity Dependencies @@ -54,6 +52,12 @@ Changes ------------------------- +v1.28.0-galaxy0 + - Version bump to v1.28.0 + - createMSP now uses the median precursor MZ and precursor RT in the MSP files + - flagRemove updated to handle different xcms version objects internally within msPurity R function + - Relevant unit tests updated and further tidying up of repo + v1.16.2-galaxy2 - Fix for purityX galaxy tool (https://github.com/computational-metabolomics/mspurity-galaxy/issues/53) - Cleanup of xml based on updated lint requirements
--- a/flagRemove.R Wed Jun 12 16:04:05 2024 +0000 +++ b/flagRemove.R Thu Jun 13 11:38:36 2024 +0000 @@ -1,4 +1,5 @@ library(msPurity) +library(xcms) library(optparse) print(sessionInfo()) option_list <- list( @@ -117,19 +118,25 @@ print(opt) -getxcmsSetObject <- function(xobject) { - # XCMS 1.x - if (class(xobject) == "xcmsSet") { - return(xobject) - } - # XCMS 3.x - if (class(xobject) == "XCMSnExp") { - # Get the legacy xcmsSet object - suppressWarnings(xset <- as(xobject, "xcmsSet")) - xcms::sampclass(xset) <- xset@phenoData$sample_group - return(xset) - } -} +# This R function can handle both XCMS object versions (so following code +# no longer required - kept here for reference) +# getxcmsSetObject <- function(xobject) { +# # XCMS 1.x +# if (class(xobject) == "xcmsSet"){ +# return(xobject) +# } +# # XCMS 3.x +# if (class(xobject) == "XCMSnExp") { +# # Get the legacy xcmsSet object +# suppressWarnings(xset <- as(xobject, "xcmsSet")) +# if (!is.null(xset@phenoData$sample_group)){ +# xcms::sampclass(xset) <- xset@phenoData$sample_group +# }else{ +# xcms::sampclass(xset) <- "." +# } +# return(xset) +# } +# } loadRData <- function(rdata_path, name) { @@ -138,9 +145,9 @@ return(get(ls()[ls() %in% name])) } -xset <- getxcmsSetObject(loadRData(opt$xset_path, c("xset", "xdata"))) +xset <- loadRData(opt$xset_path, c("xset", "xdata")) -print(xset) + if (is.null(opt$samplelist)) { blank_class <- opt$blank_class } else { @@ -157,6 +164,8 @@ } + + if (is.null(opt$multilist)) { ffrm_out <- flag_remove(xset, pol = opt$polarity, @@ -201,15 +210,6 @@ ) } else { # nolint start - # TODO - # xsets <- split(xset, multilist_df$multlist) - # - # mult_grps <- unique(multilist_df$multlist) - # - # for (mgrp in mult_grps){ - # xset_i <- xsets[mgrp] - # xcms::group(xset_i, - # - # } + # TODO - potential for multilist analysis (e) # nolint end }
--- a/frag4feature.R Wed Jun 12 16:04:05 2024 +0000 +++ b/frag4feature.R Thu Jun 13 11:38:36 2024 +0000 @@ -81,7 +81,11 @@ if (class(xobject) == "XCMSnExp") { # Get the legacy xcmsSet object suppressWarnings(xset <- as(xobject, "xcmsSet")) - sampclass(xset) <- xset@phenoData$sample_group + if (!is.null(xset@phenoData$sample_group)) { + xcms::sampclass(xset) <- xset@phenoData$sample_group + } else { + xcms::sampclass(xset) <- "." + } return(xset) } } @@ -96,6 +100,7 @@ print(pa@fileList) print(xset@filepaths) + if (is.null(opt$intense)) { intense <- FALSE } else {
--- a/macros.xml Wed Jun 12 16:04:05 2024 +0000 +++ b/macros.xml Thu Jun 13 11:38:36 2024 +0000 @@ -1,17 +1,17 @@ <?xml version="1.0"?> <macros> - <token name="@TOOL_VERSION@">1.16.2</token> - <token name="@GALAXY_TOOL_VERSION@">2</token> + <token name="@TOOL_VERSION@">1.28.0</token> + <token name="@GALAXY_TOOL_VERSION@">0</token> <xml name="requirements"> <requirements> <requirement type="package" version="@TOOL_VERSION@" >bioconductor-mspurity</requirement> - <requirement type="package" version="1.46.0" >bioconductor-camera</requirement> - <requirement type="package" version="3.12.0" >bioconductor-xcms</requirement> - <requirement type="package" version="1.18.0" >bioconductor-mspuritydata</requirement> - <requirement type="package" version="1.6.6">r-optparse</requirement> - <requirement type="package" version="1.3.1">r-rpostgres</requirement> - <requirement type="package" version="0.10.21">r-rmysql</requirement> + <requirement type="package" version="1.58.0" >bioconductor-camera</requirement> + <requirement type="package" version="4.0.0" >bioconductor-xcms</requirement> + <requirement type="package" version="1.30.0" >bioconductor-mspuritydata</requirement> + <requirement type="package" version="1.7.5">r-optparse</requirement> + <requirement type="package" version="1.4.7">r-rpostgres</requirement> + <requirement type="package" version="0.10.27">r-rmysql</requirement> <yield /> </requirements> </xml>
--- a/purityX.R Wed Jun 12 16:04:05 2024 +0000 +++ b/purityX.R Thu Jun 13 11:38:36 2024 +0000 @@ -74,14 +74,18 @@ getxcmsSetObject <- function(xobject) { # XCMS 1.x - if (class(xobject) == "xcmsSet") { + if (class(xobject) == "xcmsSet"){ return(xobject) } # XCMS 3.x if (class(xobject) == "XCMSnExp") { # Get the legacy xcmsSet object suppressWarnings(xset <- as(xobject, "xcmsSet")) - sampclass(xset) <- xset@phenoData$sample_group + if (!is.null(xset@phenoData$sample_group)){ + xcms::sampclass(xset) <- xset@phenoData$sample_group + }else{ + xcms::sampclass(xset) <- "." + } return(xset) } }
--- a/test-data/createMSP_output_av_all_metadata.msp Wed Jun 12 16:04:05 2024 +0000 +++ b/test-data/createMSP_output_av_all_metadata.msp Thu Jun 13 11:38:36 2024 +0000 @@ -1,6 +1,6 @@ -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:[M+NH4]+ -MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 -AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 +RECORD_TITLE: MZ:112.0508 | RT:67.6 | grpid:12 | file:NA | adduct:[M+NH4]+ +MS$FOCUSED_ION: PRECURSOR_M/Z 112.050811228882 +AC$CHROMATOGRAPHY: RETENTION_TIME 67.556532 isotope [4][M]+ MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um 2.1x100mm Thermo @@ -10,15 +10,15 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.28.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100 126.53768157959 2499.31469726562 0.5 -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:[M+H+NH3]+ -MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 -AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 +RECORD_TITLE: MZ:112.0508 | RT:67.6 | grpid:12 | file:NA | adduct:[M+H+NH3]+ +MS$FOCUSED_ION: PRECURSOR_M/Z 112.050811228882 +AC$CHROMATOGRAPHY: RETENTION_TIME 67.556532 isotope [4][M]+ MS$FOCUSED_ION: PRECURSOR_TYPE [M+H+NH3]+ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um 2.1x100mm Thermo @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.28.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100
--- a/test-data/createMSP_output_av_all_metadata_custom_adducts.msp Wed Jun 12 16:04:05 2024 +0000 +++ b/test-data/createMSP_output_av_all_metadata_custom_adducts.msp Thu Jun 13 11:38:36 2024 +0000 @@ -1,6 +1,6 @@ -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:[M+NH4]+ -MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 -AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 +RECORD_TITLE: MZ:112.0508 | RT:67.6 | grpid:12 | file:NA | adduct:[M+NH4]+ +MS$FOCUSED_ION: PRECURSOR_M/Z 112.050811228882 +AC$CHROMATOGRAPHY: RETENTION_TIME 67.556532 isotope [4][M]+ MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um 2.1x100mm Thermo @@ -10,15 +10,15 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.28.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100 126.53768157959 2499.31469726562 0.5 -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:[M+H+NH3]+ -MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 -AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 +RECORD_TITLE: MZ:112.0508 | RT:67.6 | grpid:12 | file:NA | adduct:[M+H+NH3]+ +MS$FOCUSED_ION: PRECURSOR_M/Z 112.050811228882 +AC$CHROMATOGRAPHY: RETENTION_TIME 67.556532 isotope [4][M]+ MS$FOCUSED_ION: PRECURSOR_TYPE [M+H+NH3]+ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um 2.1x100mm Thermo @@ -28,15 +28,15 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.28.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100 126.53768157959 2499.31469726562 0.5 -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:[M+]+ -MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 -AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 +RECORD_TITLE: MZ:112.0508 | RT:67.6 | grpid:12 | file:NA | adduct:[M+]+ +MS$FOCUSED_ION: PRECURSOR_M/Z 112.050811228882 +AC$CHROMATOGRAPHY: RETENTION_TIME 67.556532 isotope [4][M]+ MS$FOCUSED_ION: PRECURSOR_TYPE [M+]+ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um 2.1x100mm Thermo @@ -46,15 +46,15 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.28.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100 126.53768157959 2499.31469726562 0.5 -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:[M-H]- -MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 -AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 +RECORD_TITLE: MZ:112.0508 | RT:67.6 | grpid:12 | file:NA | adduct:[M-H]- +MS$FOCUSED_ION: PRECURSOR_M/Z 112.050811228882 +AC$CHROMATOGRAPHY: RETENTION_TIME 67.556532 isotope [4][M]+ MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um 2.1x100mm Thermo @@ -64,15 +64,15 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.28.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100 126.53768157959 2499.31469726562 0.5 -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:[M+TEST -MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 -AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 +RECORD_TITLE: MZ:112.0508 | RT:67.6 | grpid:12 | file:NA | adduct:[M+TEST +MS$FOCUSED_ION: PRECURSOR_M/Z 112.050811228882 +AC$CHROMATOGRAPHY: RETENTION_TIME 67.556532 isotope [4][M]+ MS$FOCUSED_ION: PRECURSOR_TYPE [M+TEST AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um 2.1x100mm Thermo @@ -82,15 +82,15 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.28.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100 126.53768157959 2499.31469726562 0.5 -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:SPACE+]+ -MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 -AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 +RECORD_TITLE: MZ:112.0508 | RT:67.6 | grpid:12 | file:NA | adduct:SPACE+]+ +MS$FOCUSED_ION: PRECURSOR_M/Z 112.050811228882 +AC$CHROMATOGRAPHY: RETENTION_TIME 67.556532 isotope [4][M]+ MS$FOCUSED_ION: PRECURSOR_TYPE SPACE+]+ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um 2.1x100mm Thermo @@ -100,7 +100,7 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.28.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100
--- a/test-data/filterFragSpectra_output_prec.tsv Wed Jun 12 16:04:05 2024 +0000 +++ b/test-data/filterFragSpectra_output_prec.tsv Thu Jun 13 11:38:36 2024 +0000 @@ -1,324 +1,324 @@ -"grpid" "mz" "mzmin" "mzmax" "rt" "rtmin" "rtmax" "into" "intf" "maxo" "maxf" "i" "sn" "sample" "cid" "filename" "inPurity" "pid" "precurMtchID" "precurMtchScan" "precurMtchRT" "precurMtchMZ" "precurMtchPPM" "retentionTime" "fileid" "seqNum" "purity_pass_flag" -"12" 112.050766766484 112.050651550293 112.087196350098 67.47903 55.2769038 80.361672 36223791.266206 133522503.549415 7158012.5 8555976.39592391 1 21.054952458659 1 9 "LCMSMS_2.mzML" 1 384 466 462 64.427298 112.050704956055 0.55162878935702 64.958766 1 466 TRUE -"12" 112.05085569128 112.050621032715 112.120460510254 67.634034 55.4140188 80.555406 36139265.8017591 133395720.51942 7426335.5 8522973.08164079 1 20.3803986860233 2 400 "LCMSMS_1.mzML" 1 1218 472 468 65.376156 112.050743103027 1.00479600749392 65.928894 2 472 TRUE -"14" 113.03541992282 113.034698486328 113.059997558594 83.441172 72.006432 95.851296 88462324.9597518 348004137.88132 18599380 22772249.3980656 1 27.431622141047 1 11 "LCMSMS_2.mzML" 1 499 604 600 81.93093 113.034736633301 6.04491512630164 82.463394 1 604 TRUE -"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 402 "LCMSMS_1.mzML" 1 1321 596 594 81.344292 113.034736633301 5.61834418239318 81.70764 2 596 TRUE -"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 402 "LCMSMS_1.mzML" 0.472133563046185 1380 667 666 90.601068 113.034713745117 5.8208310964319 90.871572 2 667 FALSE -"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 0.950632241095866 226 277 276 40.9547952 116.070838928223 1.7359353575902 41.2252842 1 277 TRUE -"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 1 281 343 342 49.182402 116.070831298828 1.67020474130592 49.452918 1 343 TRUE -"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 1 337 410 408 57.5697876 116.070770263672 1.14435981103166 57.9341562 1 410 TRUE -"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 0.989376188689562 1055 277 276 41.0984136 116.070816040039 2.22463819204545 41.3688786 2 277 TRUE -"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 1 1110 343 342 49.3156656 116.070823669434 2.29036885341395 49.586265 2 343 TRUE -"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 1 1165 409 408 57.7060356 116.070785522461 1.96171554657148 57.976677 2 409 TRUE -"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 391 475 474 65.949288 132.101821899414 0.0447061558976329 66.21981 1 475 TRUE -"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 446 541 540 74.297424 132.101867675781 0.301817188616646 74.567904 1 541 TRUE -"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 501 607 606 82.686066 132.101852416992 0.186309407111886 82.956534 1 607 TRUE -"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1223 478 474 66.147648 132.101852416992 0.190663125216797 66.662874 2 478 TRUE -"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1280 547 546 75.21942 132.101806640625 0.155860220806146 75.489906 2 547 TRUE -"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1338 616 612 83.64567 132.10188293457 0.421678689232093 84.193392 2 616 TRUE -"47" 137.045578757527 136.940017700195 137.045684814453 126.956946 114.406068 134.058318 1914326353.43818 7149870134.39123 339347296 497573209.284211 1 34.3024850459489 1 33 "LCMSMS_2.mzML" 1 746 901 900 121.56708 137.045669555664 0.662539701371764 121.837692 1 901 TRUE -"47" 137.045578757527 136.940017700195 137.045684814453 126.956946 114.406068 134.058318 1914326353.43818 7149870134.39123 339347296 497573209.284211 1 34.3024850459489 1 33 "LCMSMS_2.mzML" 1 802 968 966 130.031346 137.045639038086 0.439857741094926 130.377228 1 968 TRUE -"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 425 "LCMSMS_1.mzML" 1 1577 903 900 121.840812 137.045669555664 0.751521765321877 122.29704 2 903 TRUE -"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 425 "LCMSMS_1.mzML" 1 1641 980 978 131.936568 137.045623779297 0.417498795184589 132.282558 2 980 TRUE -"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.478583762215561 265 323 318 46.161033 138.054763793945 0.385456784658412 46.8046212 1 323 FALSE -"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.926032123629646 270 329 324 46.926273 138.05485534668 1.04861948291394 47.539992 1 329 TRUE -"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 1 291 355 354 50.6971758 138.054748535156 0.27492966828249 50.9677686 1 355 TRUE -"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.982863487460479 347 422 420 59.113914 138.054809570312 0.717038133786177 59.477268 1 422 TRUE -"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.449226243412885 1094 323 318 46.2952926 138.054809570312 0.627452613468721 46.9377588 2 323 FALSE -"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.682440289459046 1096 326 324 47.0589156 138.054809570312 0.627452613468721 47.4072606 2 326 TRUE -"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 1 1135 373 372 53.1376686 138.054824829102 0.73797971994302 53.408286 2 373 TRUE -"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.891554874127874 1190 439 438 61.541034 138.054779052734 0.406398400520122 61.811526 2 439 TRUE -"49" 138.048727400006 138.017150878906 138.049011230469 126.956946 114.406068 134.058318 107319384.367588 399179027.020378 19350734 27741080.6360187 1 28.7232463589518 1 35 "LCMSMS_2.mzML" 0.786277688323535 764 922 918 123.896694 138.048767089844 0.287506005368198 124.445286 1 922 TRUE -"49" 138.048704393746 138.017150878906 138.049011230469 126.441198 114.599184 134.305698 108751663.360006 405340993.012011 18617462 28101051.9066502 1 30.0539027494402 2 427 "LCMSMS_1.mzML" 0.796822033254558 1598 928 924 124.941198 138.048797607422 0.67522311432569 125.455416 2 928 TRUE -"51" 140.067802644286 140.001693725586 140.115173339844 46.161033 34.0415226 58.3416642 170011285.612119 677292518.463321 32451352 44271770.7647804 1 30.5218137136917 1 38 "LCMSMS_2.mzML" 1 236 289 288 42.4292958 140.068130493164 2.34064411904564 42.6998922 1 289 TRUE -"51" 140.06784640212 140.001708984375 140.070831298828 46.2952926 34.1913918 58.478901 174282446.190803 693996060.277404 31643056 45478430.4205372 1 30.1832371220605 2 430 "LCMSMS_1.mzML" 1 1078 304 300 44.0806488 140.068084716797 1.70142315424764 44.603985 2 304 TRUE -"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 44 "LCMSMS_2.mzML" 1 235 287 282 41.6846646 146.117492675781 0.668288238413146 42.3093822 1 287 TRUE -"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 44 "LCMSMS_2.mzML" 0.983625855342406 292 356 354 50.6971758 146.117309570312 0.584851189071573 51.0603918 1 356 TRUE -"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 435 "LCMSMS_1.mzML" 1 1084 311 306 44.7995376 146.117416381836 0.131094031138655 45.406614 2 311 TRUE -"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 435 "LCMSMS_1.mzML" 0.837758373655053 1140 379 378 53.9081688 146.117370605469 0.182190821016718 54.1786398 2 379 TRUE -"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 45 "LCMSMS_2.mzML" 0.933453799267343 412 500 498 68.984166 147.043823242188 0.179918260382272 69.347514 1 500 TRUE -"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 45 "LCMSMS_2.mzML" 0.932823700733781 415 503 498 68.984166 147.043853759766 0.0276224030842009 69.59589 1 503 TRUE -"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 436 "LCMSMS_1.mzML" 0.988002630523906 1239 497 492 68.393532 147.043838500977 0.101782193880233 69.033138 2 497 TRUE -"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 436 "LCMSMS_1.mzML" 0.980928808379244 1241 500 498 69.154026 147.043838500977 0.101782193880233 69.517518 2 500 TRUE -"66" 148.042683925669 148.039047241211 148.047088623047 64.427298 51.4450368 77.267322 54935005.6176214 205821097.687204 6768361.5 13161064.5222934 1 23.5355240524895 1 47 "LCMSMS_2.mzML" 1 359 436 432 60.634806 148.042587280273 0.652821154739326 61.178016 1 436 TRUE -"66" 148.042721958059 148.038986206055 148.047119140625 64.605414 52.3652958 77.474424 58447146.6341686 220334578.529236 8228312 14115433.6753709 1 23.8773430863274 2 438 "LCMSMS_1.mzML" 1 1194 443 438 61.541034 148.042556762695 1.1158627820936 62.184492 2 443 TRUE -"67" 149.026338801704 149.026229858398 149.026382446289 91.18956 78.808182 103.89993 1698958704.63737 6840419077.33234 349382368 436967869.633165 1 31.7357588758856 1 49 "LCMSMS_2.mzML" 0.840255867615411 605 731 726 98.311686 149.026306152344 0.219084497676219 98.956014 1 731 TRUE -"67" 149.026337703886 149.026229858398 149.026382446289 91.376562 78.998916 104.102922 1669137911.63194 6717727255.45554 353652704 429749452.797022 1 31.8010283688846 2 440 "LCMSMS_1.mzML" 0.835356522321461 1434 731 726 98.516814 149.026321411133 0.109328008331516 99.1614 2 731 TRUE -"68" 150.058153535588 150.058074951172 150.076126098633 62.924034 50.6971758 75.78993 495190716.923188 1984294720.42183 111902200 129689299.71264 1 32.4229937385997 1 52 "LCMSMS_2.mzML" 1 361 439 438 61.39704 150.058166503906 0.0864219478424959 61.66767 1 439 TRUE -"68" 150.058153535588 150.058074951172 150.076126098633 62.924034 50.6971758 75.78993 495190716.923188 1984294720.42183 111902200 129689299.71264 1 32.4229937385997 1 52 "LCMSMS_2.mzML" 0.910779902061608 416 505 504 69.717042 150.058135986328 0.116949727777665 69.987654 1 505 TRUE -"68" 150.05818311751 150.05810546875 150.112197875977 63.078168 51.5947758 75.972048 489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 443 "LCMSMS_1.mzML" 1 1195 445 444 62.309778 150.058135986328 0.314086049683708 62.58027 2 445 TRUE -"68" 150.05818311751 150.05810546875 150.112197875977 63.078168 51.5947758 75.972048 489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 443 "LCMSMS_1.mzML" 0.899887678060438 1250 511 510 70.627524 150.05810546875 0.517457685211921 70.898028 2 511 TRUE -"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 56 "LCMSMS_2.mzML" 1 490 593 588 80.361672 153.040512084961 1.36876674481465 81.033882 1 593 TRUE -"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 56 "LCMSMS_2.mzML" 1 548 663 660 89.6403 153.040344238281 2.46551196382807 90.100398 1 663 TRUE -"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1318 592 588 80.555406 153.040512084961 1.42054480190384 81.122028 2 592 TRUE -"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1375 661 660 89.831544 153.04035949707 2.41758585847294 90.102054 2 661 TRUE -"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1430 727 726 98.516814 153.040557861328 1.12143248493311 98.787414 2 727 TRUE -"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 0.672380618767158 247 302 300 43.9150368 156.076675415039 3.222597768605 44.278287 1 302 TRUE -"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 0.71122543687701 250 305 300 43.9150368 156.076675415039 3.222597768605 44.5133742 1 305 TRUE -"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 1 306 373 372 52.9810356 156.076614379883 2.83153771572103 53.2516788 1 373 TRUE -"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 1 362 440 438 61.39704 156.076599121094 2.73377270250004 61.760394 1 440 TRUE -"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 0.689159500011442 1076 302 300 44.0806488 156.076690673828 2.9013587500534 44.445024 2 302 TRUE -"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 0.737802126994146 1080 307 306 44.7995376 156.076675415039 2.80359377779621 45.0700188 2 307 TRUE -"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 1 1136 374 372 53.1376686 156.076644897461 2.60806383328182 53.501001 2 374 TRUE -"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 1 1196 446 444 62.309778 156.076553344727 2.02147399973867 62.673012 2 446 TRUE -"77" 158.091194778484 158.01237487793 158.092437744141 43.9150368 31.7040216 56.7980382 45651083.5292649 158918716.937194 5473670 10103433.7061221 1 21.2526001663955 1 61 "LCMSMS_2.mzML" 0.899008484879181 225 275 270 40.1901702 158.092361450195 7.37973871940025 40.833891 1 275 TRUE -"77" 158.090977512596 157.992492675781 158.092468261719 44.0806488 31.850268 56.9384052 45829048.4233895 158954748.927492 4950029.5 10075169.186439 1 21.085999665894 2 452 "LCMSMS_1.mzML" 0.897284870200624 1058 280 276 41.0984136 158.092376708984 8.85057712168554 41.6124906 2 280 TRUE -"88" 164.929981664987 164.920303344727 165.048141479492 40.1901702 27.3304008 52.214286 45555104.4925582 184838312.743353 9348705 11881048.7967838 1 21.4391626539814 1 67 "LCMSMS_2.mzML" 0.918813676323213 210 257 252 37.8964158 164.930053710938 0.436827493730139 38.5225062 1 257 TRUE -"88" 164.930363340782 164.920318603516 165.000762939453 40.331784 27.436638 52.3652958 44606234.834488 181017913.491933 9182994 11636503.0263511 1 21.6820650392366 2 459 "LCMSMS_1.mzML" 0.927795470693746 1039 257 252 38.0417766 164.930099487305 1.59978715885581 38.6629848 2 257 TRUE -"89" 165.054460611227 165.054306030273 165.09098815918 70.461672 58.3416642 82.686066 157204927.610844 633134818.725802 31821408 41756665.6144017 1 31.7047589812144 1 68 "LCMSMS_2.mzML" 1 399 484 480 66.710418 165.054473876953 0.0803718152102289 67.258524 1 484 TRUE -"89" 165.054460611227 165.054306030273 165.09098815918 70.461672 58.3416642 82.686066 157204927.610844 633134818.725802 31821408 41756665.6144017 1 31.7047589812144 1 68 "LCMSMS_2.mzML" 1 458 555 552 75.78993 165.054412841797 0.289416168852581 76.24689 1 555 TRUE -"89" 165.054493582072 165.054382324219 165.091018676758 70.627524 58.478901 82.86993 157329282.103013 633950618.797678 31930138 41817543.0206629 1 31.9990026564801 2 460 "LCMSMS_1.mzML" 1 1233 490 486 67.634034 165.054458618164 0.211832509161606 68.179014 2 490 TRUE -"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 72 "LCMSMS_2.mzML" 1 317 386 384 54.5086626 170.092300415039 0.513202631121696 54.8720202 1 386 TRUE -"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 72 "LCMSMS_2.mzML" 1 377 458 456 63.683916 170.092178344727 0.204468744060742 64.033398 1 458 TRUE -"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 72 "LCMSMS_2.mzML" 0.751851935279909 438 531 528 72.774312 170.092163085938 0.294177665958547 73.216398 1 531 TRUE -"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 464 "LCMSMS_1.mzML" 1 1149 389 384 54.6427758 170.092239379883 0.117628016757482 55.2882408 2 389 TRUE -"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 464 "LCMSMS_1.mzML" 1 1207 459 456 63.848922 170.092193603516 0.151498739048505 64.292004 2 459 TRUE -"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 464 "LCMSMS_1.mzML" 0.767818411875926 1267 531 528 72.943668 170.092163085938 0.330916576252497 73.38288 2 531 TRUE -"106" 178.057265428919 177.960739135742 178.058578491211 45.3966672 33.2788968 57.5697876 107208995.879736 426351769.726465 20264748 27837870.2038831 1 30.7664610327479 1 79 "LCMSMS_2.mzML" 1 242 296 294 43.1829192 178.058502197266 6.94590217257655 43.5352578 1 296 TRUE -"106" 178.057362357306 177.960906982422 178.107238769531 45.5280288 33.428391 57.7060356 109199679.276284 434620185.015327 20406868 28448042.0351455 1 30.2351177663392 2 471 "LCMSMS_1.mzML" 1 1073 298 294 43.3414116 178.058502197266 6.40153231546711 43.8788766 2 298 TRUE -"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 83 "LCMSMS_2.mzML" 1 395 479 474 65.949288 182.080947875977 0.192181696457397 66.585882 1 479 TRUE -"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 83 "LCMSMS_2.mzML" 1 452 548 546 75.040038 182.080978393555 0.0245772731716239 75.386076 1 548 TRUE -"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 83 "LCMSMS_2.mzML" 1 462 560 558 76.520544 182.081024169922 0.226829361757037 76.884018 1 560 TRUE -"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 475 "LCMSMS_1.mzML" 1 1225 481 480 66.865908 182.081039428711 0.283802406121786 67.1364 2 481 TRUE -"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 475 "LCMSMS_1.mzML" 1 1281 548 546 75.21942 182.080963134766 0.135208640850934 75.565278 2 548 TRUE -"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 475 "LCMSMS_1.mzML" 1 1289 557 552 75.972048 182.081008911133 0.116197987332698 76.599252 2 557 TRUE -"127" 189.123836918215 189.087127685547 189.134567260742 49.182402 38.6530368 59.113914 73014397.0673668 235281079.680687 13534067 17553807.2912804 2 10.0050527537283 1 91 "LCMSMS_2.mzML" 0.936195500849476 282 344 342 49.182402 189.123199462891 3.37057102490262 49.5321612 1 344 TRUE -"127" 189.123836741155 189.123138427734 189.134719848633 50.0837946 38.7940218 59.2511508 77454068.3063944 251989170.144413 14308037 18763393.7591957 2 10.3593904294032 2 483 "LCMSMS_1.mzML" 0.843596321889113 1101 332 330 47.814411 189.12321472168 3.28895334163321 48.177636 2 332 TRUE -"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 94 "LCMSMS_2.mzML" 0.381690143956427 214 262 258 38.6530368 191.040237426758 8.74833036714082 39.201996 1 262 FALSE -"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 94 "LCMSMS_2.mzML" 0.413512380700657 215 263 258 38.6530368 191.040237426758 8.74833036714082 39.2947548 1 263 FALSE -"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 94 "LCMSMS_2.mzML" 0.777673424401892 228 279 276 40.9547952 191.040191650391 8.9879446355133 41.3761842 1 279 TRUE -"134" 192.070004316993 192.068435668945 192.159378051758 121.840812 109.75707 133.503804 6688043.65811988 24252761.5724549 1647994.5 1597829.80008397 1 10.0964474097943 2 487 "LCMSMS_1.mzML" 1 1568 892 888 120.16695 192.06867980957 6.89596185316682 120.719778 2 892 TRUE -"136" 194.033955868316 193.974349975586 194.11750793457 45.3966672 33.2788968 58.3416642 33129363.93583 126346168.61234 7712030.5 8168938.04981718 1 24.4596098509999 1 97 "LCMSMS_2.mzML" 1 252 308 306 44.6336652 194.032531738281 7.33959181536514 44.9970132 1 308 TRUE -"136" 194.033961457167 193.974548339844 194.117202758789 45.5280288 33.428391 57.7060356 34261724.0753671 131360169.574669 7448038 8573625.45738317 1 25.0433988110197 2 489 "LCMSMS_1.mzML" 1 1082 309 306 44.7995376 194.032531738281 7.36839507267366 45.2385 2 309 TRUE -"143" 200.039036175676 199.990417480469 200.05534362793 43.9150368 31.7040216 56.048412 62417372.2964744 238939831.229273 13601618 15867218.5995072 1 23.9081228390022 1 102 "LCMSMS_2.mzML" 0.827972965127136 248 303 300 43.9150368 200.040481567383 7.22554824455522 44.362509 1 303 TRUE -"143" 200.039076107751 199.990539550781 200.055267333984 44.0806488 31.850268 56.1655458 63115746.8678432 241275739.080238 14604527 16063269.6598853 1 24.1787310671836 2 494 "LCMSMS_1.mzML" 0.767260518462937 1074 299 294 43.3414116 200.040496826172 7.10220447261701 43.96086 2 299 TRUE -"150" 203.139004267186 203.138748168945 203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 106 "LCMSMS_2.mzML" 0.975098548089428 389 472 468 65.179668 203.138809204102 0.960244366979045 65.729394 1 472 TRUE -"150" 203.139004267186 203.138748168945 203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 106 "LCMSMS_2.mzML" 1 447 542 540 74.297424 203.13883972168 0.810014339835363 74.643408 1 542 TRUE -"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 0.987995155912351 1219 473 468 65.376156 203.138854980469 0.688929364761007 66.021636 2 473 TRUE -"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 1 1275 541 540 74.45592 203.138793945312 0.989389432860519 74.726424 2 541 TRUE -"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 0.750231617684845 1330 607 606 82.86993 203.138854980469 0.688929364761007 83.14053 2 607 TRUE -"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 107 "LCMSMS_2.mzML" 0.679733861324877 297 362 360 51.4450368 204.122802734375 7.13966357500352 51.8082648 1 362 TRUE -"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 107 "LCMSMS_2.mzML" 1 305 371 366 52.214286 204.122817993164 7.21441709494699 52.854519 1 371 TRUE -"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 107 "LCMSMS_2.mzML" 0.949533862703207 363 441 438 61.39704 204.122848510742 7.36392413483392 61.840254 1 441 TRUE -"152" 204.121491500524 204.05583190918 204.142135620117 56.9384052 44.0806488 69.154026 945349158.533167 3774433902.84221 192277952 245432737.225034 1 31.3148658869282 2 499 "LCMSMS_1.mzML" 1 1141 380 378 53.9081688 204.122817993164 6.49854471623582 54.2541396 2 380 TRUE -"152" 204.121491500524 204.05583190918 204.142135620117 56.9384052 44.0806488 69.154026 945349158.533167 3774433902.84221 192277952 245432737.225034 1 31.3148658869282 2 499 "LCMSMS_1.mzML" 0.808846763694402 1202 453 450 63.078168 204.122863769531 6.72280511552544 63.534138 2 453 TRUE -"158" 207.015970241864 207.004974365234 207.130523681641 41.826645 30.0872718 53.9081688 31865281.7221108 104038647.916353 7626851.5 7159071.4962137 1 16.1279060992664 2 504 "LCMSMS_1.mzML" 0.866525825510585 1067 291 288 42.5736636 207.014144897461 8.81740863331111 43.0297428 2 291 TRUE -"172" 214.06240374159 214.006088256836 214.089477539062 55.4140188 41.826645 69.154026 55859135.5808205 175270338.34633 6898645.5 10502955.6520861 1 14.3539712297571 2 512 "LCMSMS_1.mzML" 1 1137 375 372 53.1376686 214.064239501953 8.57581869001838 53.594496 2 375 TRUE -"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 0.656097178055188 508 615 612 83.441172 218.13850402832 0.458536456564984 83.896776 1 615 TRUE -"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 1 566 685 684 92.725812 218.138473510742 0.318636385945355 92.996412 1 685 TRUE -"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 0.756767952399567 621 751 750 101.49993 218.138488769531 0.38858642125517 101.770446 1 751 TRUE -"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 518 "LCMSMS_1.mzML" 0.74813521899954 1337 615 612 83.64567 218.138366699219 0.0831858567062568 84.100632 2 615 TRUE -"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 518 "LCMSMS_1.mzML" 1 1395 685 684 92.927058 218.138458251953 0.336514392014067 93.19755 2 685 TRUE -"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 518 "LCMSMS_1.mzML" 0.75512635718691 1450 751 750 101.700294 218.13850402832 0.546364516374229 101.97081 2 751 TRUE -"182" 219.134537648256 219.133590698242 219.141830444336 84.215802 72.006432 95.067042 228560852.3732 549584698.602371 35684208 38358595.2669499 1 10.3205425760716 1 128 "LCMSMS_2.mzML" 0.974347865630473 494 598 594 81.162672 219.133682250977 3.90352560969656 81.707766 1 598 TRUE -"182" 219.134392971934 219.017486572266 219.141799926758 83.64567 72.171048 95.269182 237668711.346651 578769629.077717 38747760 40149538.2350155 1 10.6422119093857 2 520 "LCMSMS_1.mzML" 0.986868374160269 1324 599 594 81.344292 219.133697509766 3.17367875969659 81.98076 2 599 TRUE -"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 138 "LCMSMS_2.mzML" 1 234 286 282 41.6846646 227.113693237305 2.78152797684754 42.2166258 1 286 TRUE -"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 138 "LCMSMS_2.mzML" 0.881745288827023 295 359 354 50.6971758 227.113494873047 1.90811164188016 51.320388 1 359 TRUE -"199" 227.113064073098 227.063293457031 227.113784790039 47.0589156 34.9703976 59.2511508 429930708.544422 1629191183.47371 58695372 104890057.204444 1 28.1620799447139 2 529 "LCMSMS_1.mzML" 1 1064 287 282 41.826645 227.113677978516 2.70308280095101 42.453609 2 287 TRUE -"199" 227.113064073098 227.063293457031 227.113784790039 47.0589156 34.9703976 59.2511508 429930708.544422 1629191183.47371 58695372 104890057.204444 1 28.1620799447139 2 529 "LCMSMS_1.mzML" 0.880318719991587 1121 356 354 50.8435338 227.113540649414 2.09840996047408 51.189522 2 356 TRUE -"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 1 623 753 750 101.49993 229.154479980469 0.143197209237207 101.957028 1 753 TRUE -"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 0.881356832702374 655 791 786 106.37445 229.154418945312 0.123152220175066 107.01903 1 791 TRUE -"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 0.920867286893095 678 819 816 110.36505 229.154434204102 0.0565648628219979 110.821278 1 819 TRUE -"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 1 731 883 882 119.18757 229.154479980469 0.143197209237207 119.458086 1 883 TRUE -"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 1 1453 754 750 101.700294 229.154495239258 0.200610647606269 102.250902 2 754 TRUE -"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 0.89031814100289 1488 796 792 107.36631 229.154403686523 0.19891349284694 107.917278 2 796 TRUE -"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 0.90684767610572 1506 818 816 110.559792 229.154434204102 0.0657387793625367 110.923284 2 818 TRUE -"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 1 1560 883 882 119.375448 229.154479980469 0.134023290864068 119.646054 2 883 TRUE -"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 143 "LCMSMS_2.mzML" 0.486337768381168 695 839 834 112.786446 230.138534545898 7.26737937648595 113.433918 1 839 FALSE -"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 143 "LCMSMS_2.mzML" 0.565414375466082 751 907 906 122.344698 230.138412475586 7.79779652548532 122.615214 1 907 TRUE -"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.391807383300426 1523 838 834 112.983072 230.13850402832 7.3013350219424 113.533644 2 838 FALSE -"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.623212375972271 1572 897 894 120.962436 230.138442993164 7.56654362260474 121.505028 2 897 TRUE -"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.554670288641826 1575 901 900 121.840812 230.138442993164 7.56654362260474 122.111304 2 901 TRUE -"209" 231.169440223829 231.141708374023 231.170104980469 130.794318 118.391574 134.058318 148637539.112457 439297920.66514 27120750 38299876.1226009 1 30.3676899291214 1 145 "LCMSMS_2.mzML" 1 779 940 936 126.186204 231.169937133789 2.14954865844036 126.740928 1 940 TRUE -"209" 231.1694578533 231.141738891602 231.170074462891 131.148558 118.583076 134.305698 163151158.343899 484163165.256014 29294412 42055243.0047838 1 30.557814501113 2 536 "LCMSMS_1.mzML" 1 1608 940 936 126.441198 231.169860839844 1.74325167298274 126.99816 2 940 TRUE -"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 354 430 426 59.8657836 233.149276733398 0.304611521531101 60.41451 1 430 TRUE -"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 413 501 498 68.984166 233.149154663086 0.218960120613038 69.422898 1 501 TRUE -"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 471 571 570 78.035046 233.149139404297 0.284406575881055 78.305538 1 571 TRUE -"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 0.94350103628384 527 638 636 86.547678 233.149337768555 0.56639734260317 86.911908 1 638 TRUE -"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1183 430 426 60.003786 233.149291992188 0.69018353444396 60.54639 2 430 TRUE -"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1244 503 498 69.154026 233.14924621582 0.493844105786682 69.74364 2 503 TRUE -"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1300 571 570 78.227304 233.149185180664 0.232058200910312 78.49779 2 571 TRUE -"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 0.926008456943044 1355 637 636 86.744814 233.14924621582 0.493844105786682 87.015312 2 637 TRUE -"234" 244.953385254716 244.896118164062 245.043228149414 40.9547952 28.2062742 52.9810356 16037222.3783712 64899256.6117073 3590265.25 4242185.37986366 1 12.6030181737188 1 162 "LCMSMS_2.mzML" 0.881349316806368 219 268 264 39.4231566 244.953887939453 2.05216489084812 39.972006 1 268 TRUE -"234" 244.953869913692 244.896194458008 245.030487060547 41.0984136 28.3160286 53.1376686 15496382.1927917 62791898.5729703 3460913.25 4097876.20121155 1 14.4994252113539 2 553 "LCMSMS_1.mzML" 0.923443194027494 1053 274 270 40.331784 244.953842163086 0.11328911160655 40.8834882 2 274 TRUE -"235" 245.07657810262 245.058502197266 245.113082885742 83.441172 71.233434 95.851296 130107908.671788 506813267.729398 28372734 33047728.9500919 1 24.1571487502111 1 163 "LCMSMS_2.mzML" 1 502 608 606 82.686066 245.076446533203 0.536850227266776 83.03208 1 608 TRUE -"235" 245.076612709839 245.045013427734 245.113418579102 83.64567 71.396808 96.141564 133327487.129729 519799854.462329 30575682 33749558.6230221 1 24.4576476339533 2 554 "LCMSMS_1.mzML" 1 1326 602 600 82.10931 245.076461791992 0.615798647494415 82.455288 2 602 TRUE -"238" 246.144917517526 246.144378662109 246.19221496582 56.048412 44.6336652 69.717042 148350049.60707 333143139.887778 13887742 21615823.5963323 1 10.4096882269271 1 164 "LCMSMS_2.mzML" 0.756803098694239 273 333 330 47.662548 246.14453125 1.56926874746986 48.1182612 1 333 TRUE -"238" 246.144952248507 246.144378662109 246.192169189453 56.1655458 44.7995376 69.864534 150762013.014634 333732277.248357 14014453 21754808.112732 1 10.2385155603447 2 555 "LCMSMS_1.mzML" 0.750716423305217 1102 333 330 47.814411 246.144577026367 1.52439502082907 48.2713692 2 333 TRUE -"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.821741670840677 269 328 324 46.926273 247.128524780273 0.0757397186380841 47.46063 1 328 TRUE -"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.938635147966783 314 382 378 53.7376638 247.128555297852 0.0477489633776442 54.289368 1 382 TRUE -"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.857111083112714 374 454 450 62.924034 247.128494262695 0.199228400653812 63.463008 1 454 TRUE -"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.814422484596901 1098 328 324 47.0589156 247.128570556641 0.0207233699446665 47.594502 2 328 TRUE -"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.888295194342072 1146 386 384 54.6427758 247.12841796875 0.638166699621889 55.007136 2 386 TRUE -"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.981696979641786 1209 461 456 63.848922 247.128540039062 0.144212035880111 64.478262 2 461 TRUE -"246" 249.094795122248 248.998840332031 249.108001708984 43.9150368 31.7040216 56.7980382 181288728.896844 694915682.737233 30663236 43807350.0510286 1 23.5096840518923 1 167 "LCMSMS_2.mzML" 0.974841450728785 238 291 288 42.4292958 249.095626831055 3.33892486946568 42.87426 1 291 TRUE -"246" 249.094786329156 248.99885559082 249.108108520508 44.0806488 31.850268 56.9384052 188342757.475762 722605329.15557 31173768 45742421.0002743 1 23.6562441549647 2 558 "LCMSMS_1.mzML" 0.972305308606495 1063 286 282 41.826645 249.095642089844 3.43548213316374 42.3608646 2 286 TRUE -"254" 253.152010413701 253.151672363281 253.179840087891 130.794318 119.18757 134.058318 26945261.0609135 75957155.4407699 5148614 7002890.33519098 1 23.4753344450044 1 173 "LCMSMS_2.mzML" 0.90027841033975 792 956 954 128.497464 253.151809692383 0.792888502700217 128.861796 1 956 TRUE -"254" 253.152005957588 253.151718139648 253.17985534668 131.148558 118.583076 134.305698 26724378.1672575 76291898.3275723 4978996.5 6914639.34797795 1 22.6485160038881 2 564 "LCMSMS_1.mzML" 0.937362849422515 1622 957 954 128.75019 253.151733398438 1.07666202029397 129.21015 2 957 TRUE -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.847235770572558 349 424 420 59.113914 260.160125732422 0.66079949927416 59.6453988 1 424 TRUE -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.924330695607273 383 465 462 64.427298 260.160003662109 0.19158696018755 64.867014 1 465 TRUE -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.914064038327345 407 494 492 68.244408 260.160034179688 0.308890094959202 68.608668 1 494 TRUE -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.841126437434894 441 535 534 73.529172 260.160125732422 0.66079949927416 73.799652 1 535 TRUE -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.55749869514057 468 567 564 77.267322 260.160034179688 0.308890094959202 77.726148 1 567 TRUE -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.946893122380285 496 601 600 81.93093 260.160095214844 0.543496364502507 82.20144 1 601 TRUE -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.821830289582688 1163 406 402 56.9384052 260.16015625 0.840402113981948 57.4883808 2 406 TRUE -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.851588855173982 1178 424 420 59.2511508 260.160125732422 0.723098971902377 59.783622 2 424 TRUE -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.933128174347517 1222 477 474 66.147648 260.160064697266 0.488492687743234 66.587394 2 477 TRUE -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.903572450801527 1238 496 492 68.393532 260.160064697266 0.488492687743234 68.940384 2 496 TRUE -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.690560642146632 1282 549 546 75.21942 260.160034179688 0.371189545663663 75.659004 2 549 TRUE -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.546970369281507 1296 566 564 77.474424 260.159973144531 0.136583261504521 77.83902 2 566 TRUE -"278" 263.194464580713 263.105407714844 263.196166992188 74.297424 62.924034 85.770306 119933218.572382 405163218.56135 25959554 28271834.5936298 1 18.3735788635792 1 187 "LCMSMS_2.mzML" 1 420 509 504 69.717042 263.196014404297 5.88851131945123 70.340268 1 509 TRUE -"278" 263.194591006946 263.105438232422 263.196136474609 74.45592 63.078168 85.969068 127296971.737416 432940127.545569 27733744 30178065.3075823 1 18.474001566198 2 577 "LCMSMS_1.mzML" 1 1248 508 504 69.864534 263.196075439453 5.64005704320773 70.412256 2 508 TRUE -"282" 265.07194783613 264.972778320312 265.121490478516 46.161033 33.2788968 58.3416642 56738949.5438045 211537347.775767 8726244 13582517.3423529 1 21.9005220232964 1 190 "LCMSMS_2.mzML" 0.556694264486346 230 281 276 40.9547952 265.069580078125 8.93251068163562 41.5643712 1 281 TRUE -"282" 265.072207618208 264.972686767578 265.121154785156 46.2952926 33.428391 58.478901 59594262.5213418 221974116.830665 8799412 14289335.2723432 1 21.4444932304386 2 580 "LCMSMS_1.mzML" 0.586735229915088 1059 281 276 41.0984136 265.069671630859 9.56715670741146 41.706231 2 281 TRUE -"298" 268.997725920593 268.950439453125 269.039093017578 42.4292958 29.960895 53.7376638 53634416.7438183 215675430.907926 13946139 14247890.3566914 1 23.810466331062 1 193 "LCMSMS_2.mzML" 1 229 280 276 40.9547952 268.998260498047 1.98729358071083 41.4698838 1 280 TRUE -"298" 268.99755266196 268.950531005859 269.018218994141 42.5736636 30.0872718 53.9081688 51889370.7166119 208230251.154206 13217159 13748008.6520212 1 24.9127538007046 2 583 "LCMSMS_1.mzML" 0.916804554552295 1052 273 270 40.331784 268.998291015625 2.74483413429186 40.7897508 2 273 TRUE -"301" 271.074857250183 270.95654296875 271.103546142578 43.1829192 30.8096568 55.2769038 64515333.1129028 239868774.915776 13621015 15987233.2560677 1 19.7508246169866 1 196 "LCMSMS_2.mzML" 0.473881896281215 283 345 342 49.182402 271.077117919922 8.33965112754828 49.625877 1 345 FALSE -"301" 271.075417555327 270.95654296875 271.103546142578 43.3414116 31.850268 55.4140188 65084413.3775139 243452484.630011 13276881 16318497.2580106 1 19.9808033411058 2 586 "LCMSMS_1.mzML" 0.464383913270215 1111 344 342 49.3156656 271.077239990234 6.72298109366911 49.6800036 2 344 FALSE -"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 197 "LCMSMS_2.mzML" 1 298 363 360 51.4450368 272.171234130859 1.68120319899846 51.9020142 1 363 TRUE -"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 197 "LCMSMS_2.mzML" 1 357 434 432 60.634806 272.171203613281 1.56907661982964 60.991638 1 434 TRUE -"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 587 "LCMSMS_1.mzML" 1 1122 357 354 50.8435338 272.171264648438 1.80054914060759 51.2832498 2 357 TRUE -"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 587 "LCMSMS_1.mzML" 1 1182 429 426 60.003786 272.171234130859 1.68842256062929 60.452634 2 429 TRUE -"306" 274.175657429697 274.139251708984 274.186462402344 93.504684 82.686066 106.37445 46485062.873091 155509508.589415 5996150.5 10323698.473723 1 18.1961330730785 1 200 "LCMSMS_2.mzML" 1 550 665 660 89.6403 274.175598144531 0.216230596064992 90.289284 1 665 TRUE -"306" 274.175657429697 274.139251708984 274.186462402344 93.504684 82.686066 106.37445 46485062.873091 155509508.589415 5996150.5 10323698.473723 1 18.1961330730785 1 200 "LCMSMS_2.mzML" 1 607 734 732 99.103422 274.175750732422 0.340302730253833 99.467778 1 734 TRUE -"306" 274.175695323971 274.138824462891 274.237060546875 93.704046 82.86993 106.573314 47001277.2715991 156764462.076571 5875322 10450699.6794718 1 17.8387881927618 2 590 "LCMSMS_1.mzML" 1 1378 664 660 89.831544 274.175689697266 0.0205222623825999 90.383274 2 664 TRUE -"306" 274.175695323971 274.138824462891 274.237060546875 93.704046 82.86993 106.573314 47001277.2715991 156764462.076571 5875322 10450699.6794718 1 17.8387881927618 2 590 "LCMSMS_1.mzML" 1 1435 733 732 99.309546 274.175811767578 0.424704337136951 99.580056 2 733 TRUE -"311" 277.102858679325 277.067169189453 277.179595947266 34.0415226 21.199029 46.161033 145469607.640438 586781142.338738 35585992 36637018.0603241 1 25.30055717014 1 203 "LCMSMS_2.mzML" 0.965585674421809 164 202 198 30.8096568 277.102722167969 0.492637848722549 31.446861 1 202 TRUE -"311" 277.102718525598 277.066925048828 277.179565429688 34.9703976 21.262644 46.2952926 154311114.038569 624608301.510316 39081676 39036937.6446583 1 25.609683649148 2 593 "LCMSMS_1.mzML" 0.974484398953352 994 203 198 30.952131 277.102691650391 0.0969864432466537 31.68024 2 203 TRUE -"311" 277.102718525598 277.066925048828 277.179565429688 34.9703976 21.262644 46.2952926 154311114.038569 624608301.510316 39081676 39036937.6446583 1 25.609683649148 2 593 "LCMSMS_1.mzML" 1 998 208 204 31.850268 277.102661132812 0.207117366131053 32.40411 2 208 TRUE -"313" 279.103270568746 279.096771240234 279.137176513672 63.683916 49.9356528 76.520544 53051360.1208322 168982326.555012 10309156 10317859.4783169 1 16.3880204600579 1 205 "LCMSMS_2.mzML" 0.932463457686767 367 446 444 62.153292 279.100494384766 9.94679845538537 62.517522 1 446 TRUE -"315" 280.048703311343 280.047973632812 280.049285888672 70.461672 58.3416642 82.686066 17916185.611229 71653387.2778775 4228704 4780699.57093132 1 14.9802846911842 1 206 "LCMSMS_2.mzML" 0.958445527217673 433 525 522 72.006432 280.048767089844 0.227740748164162 72.465522 1 525 TRUE -"315" 280.048708274226 280.040130615234 280.048828125 70.627524 58.478901 82.86993 18771009.8164162 75191218.2698408 4342784.5 5011879.8420823 1 14.1923816087802 2 596 "LCMSMS_1.mzML" 1 1254 515 510 70.627524 280.048767089844 0.21001924459186 71.27514 2 515 TRUE -"320" 281.15252384442 281.152374267578 281.174072265625 75.040038 62.924034 87.323322 14877316.1398348 60199843.0812096 3414390 3998688.59012118 1 20.1741281646815 1 210 "LCMSMS_2.mzML" 0.637453324904029 453 549 546 75.040038 281.152435302734 0.314924027932607 75.479766 1 549 TRUE -"320" 281.152589677454 281.152191162109 281.247344970703 75.21942 63.078168 87.51981 14853465.643065 59992866.9907002 3424272.25 3981827.62534965 1 20.6264003919726 2 600 "LCMSMS_1.mzML" 0.620907418370238 1283 550 546 75.21942 281.152526855469 0.223444446909704 75.752772 2 550 TRUE -"329" 285.083759240311 285.082397460938 285.178070068359 83.441172 71.233434 95.851296 390490237.708939 1529715401.18675 44184352 97909689.0812682 1 30.959424539331 1 215 "LCMSMS_2.mzML" 1 475 575 570 78.035046 285.082427978516 4.66972162369016 78.680652 1 575 TRUE -"329" 285.083691713531 285.082397460938 285.178131103516 83.64567 71.396808 96.932814 403482136.295202 1573070556.39993 45329896 100025963.808078 1 30.6434819028738 2 604 "LCMSMS_1.mzML" 1 1304 575 570 78.227304 285.082458496094 4.32580843206702 78.872766 2 575 TRUE -"329" 285.083691713531 285.082397460938 285.178131103516 83.64567 71.396808 96.932814 403482136.295202 1573070556.39993 45329896 100025963.808078 1 30.6434819028738 2 604 "LCMSMS_1.mzML" 1 1360 643 642 87.51981 285.08251953125 4.11171285934892 87.790416 2 643 TRUE -"332" 287.052049791825 286.954528808594 287.134643554688 43.1829192 32.492523 54.5086626 26752158.9251992 72095538.7563538 5547312 5178418.18928124 1 10.214758777309 1 218 "LCMSMS_2.mzML" 0.954730218466491 257 314 312 45.3966672 287.051239013672 2.82449873970901 45.7610238 1 314 TRUE -"346" 292.194651731624 292.051391601562 292.197937011719 44.7995376 32.6425146 56.9384052 170266092.005698 698188745.37295 49955152 46318764.2981038 1 24.0331437137171 2 613 "LCMSMS_1.mzML" 1 1079 305 300 44.0806488 292.197509765625 9.78126732989025 44.6793558 2 305 TRUE -"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 1 515 623 618 84.215802 294.154174804688 0.638234700161588 84.862908 1 623 TRUE -"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 1 571 691 690 93.504684 294.154296875 0.223247441620917 93.775182 1 691 TRUE -"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 0.833165267819786 630 761 756 102.298554 294.154266357422 0.326994256256085 102.94539 1 761 TRUE -"350" 294.144197247402 294.141693115234 294.144409179688 126.956946 114.406068 134.058318 74791859.4829492 276332748.642061 13587920 19443171.1005083 1 20.4361509926574 1 226 "LCMSMS_2.mzML" 1 760 917 912 123.12582 294.144256591797 0.201752728809333 123.772038 1 917 TRUE -"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 1 1343 622 618 84.41529 294.154235839844 0.475188001900272 84.967014 2 622 TRUE -"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 1 1400 691 690 93.704046 294.154266357422 0.371441191876333 93.974586 2 691 TRUE -"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 0.850497451092607 1456 758 756 102.499182 294.154327392578 0.163947571828457 102.863394 2 758 TRUE -"350" 294.144151612685 294.141845703125 294.144378662109 127.214454 114.599184 134.305698 74643069.3176933 277438125.15485 13432314 19392950.4202136 1 20.1202530214394 2 615 "LCMSMS_1.mzML" 1 1588 916 912 123.399822 294.144195556641 0.149395984903466 123.951648 2 916 TRUE -"353" 295.128370886131 295.095062255859 295.157745361328 76.520544 65.179668 86.547678 81211019.0210362 223762643.2396 19743780 16372542.5660009 1 12.7579145898773 1 229 "LCMSMS_2.mzML" 1 460 557 552 75.78993 295.128387451172 0.056128254887318 76.39776 1 557 TRUE -"353" 295.128482680347 295.095001220703 295.163787841797 76.72203 65.376156 87.51981 84731667.8795457 232979062.8185 19277230 17069801.5923534 1 13.1325072983287 2 618 "LCMSMS_1.mzML" 1 1293 562 558 76.72203 295.128326416016 0.529478992923054 77.255502 2 562 TRUE -"354" 296.065756003644 296.008972167969 296.121368408203 42.4292958 30.8096568 55.2769038 391538527.175353 1575613858.53607 103989304 103657911.628982 1 27.6290229577621 1 230 "LCMSMS_2.mzML" 0.991074617443331 220 269 264 39.4231566 296.065826416016 0.237826802219376 40.0657608 1 269 TRUE -"354" 296.065756003644 296.008972167969 296.121368408203 42.4292958 30.8096568 55.2769038 391538527.175353 1575613858.53607 103989304 103657911.628982 1 27.6290229577621 1 230 "LCMSMS_2.mzML" 0.917156248384445 276 337 336 48.4095336 296.065551757812 0.689866446849321 48.6800628 1 337 TRUE -"354" 296.065834822195 296.009124755859 296.121368408203 43.3414116 30.952131 55.4140188 384417799.756323 1544080053.52523 103542944 101820793.773478 1 28.1168637764671 2 619 "LCMSMS_1.mzML" 0.977842864059801 1048 268 264 39.5655336 296.065826416016 0.0283929406896426 40.1152386 2 268 TRUE -"354" 296.065834822195 296.009124755859 296.121368408203 43.3414116 30.952131 55.4140188 384417799.756323 1544080053.52523 103542944 101820793.773478 1 28.1168637764671 2 619 "LCMSMS_1.mzML" 0.86254202820422 1106 338 336 48.5632728 296.065582275391 0.853008942554973 48.927525 2 338 TRUE -"369" 302.170645577843 302.17041015625 302.170806884766 88.866054 73.529172 103.100934 42005813.0978138 124570099.437831 2161985 6865011.89456032 1 16.422059216192 1 237 "LCMSMS_2.mzML" 1 538 651 648 88.089936 302.170684814453 0.129849178397445 88.55001 1 651 TRUE -"369" 302.170645577843 302.17041015625 302.170806884766 88.866054 73.529172 103.100934 42005813.0978138 124570099.437831 2161985 6865011.89456032 1 16.422059216192 1 237 "LCMSMS_2.mzML" 1 595 719 714 96.726306 302.170715332031 0.230843694481696 97.37202 1 719 TRUE -"369" 302.170639215688 302.170471191406 302.170837402344 89.058666 73.692786 103.302792 44152740.1129039 130516847.797182 2228511.75 7158259.96539078 1 15.7724652331788 2 626 "LCMSMS_1.mzML" 1 1373 658 654 89.058666 302.170593261719 0.152079531417791 89.615262 2 658 TRUE -"369" 302.170639215688 302.170471191406 302.170837402344 89.058666 73.692786 103.302792 44152740.1129039 130516847.797182 2228511.75 7158259.96539078 1 15.7724652331788 2 626 "LCMSMS_1.mzML" 1 1432 729 726 98.516814 302.170745849609 0.352893059635583 98.97489 2 729 TRUE -"373" 303.165091499144 303.094573974609 303.165954589844 61.39704 48.4095336 73.529172 103807848.197766 329970229.504778 12737476 21188246.1034765 1 14.4351907808117 1 239 "LCMSMS_2.mzML" 1 345 419 414 58.3416642 303.165832519531 2.44428005641968 58.986255 1 419 TRUE -"373" 303.165091499144 303.094573974609 303.165954589844 61.39704 48.4095336 73.529172 103807848.197766 329970229.504778 12737476 21188246.1034765 1 14.4351907808117 1 239 "LCMSMS_2.mzML" 1 403 489 486 67.47903 303.165802001953 2.34361682380905 67.937004 1 489 TRUE -"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.432061153193625 640 773 768 103.89993 303.094818115234 5.15147063834845 104.546778 1 773 FALSE -"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.462196855804655 642 776 774 104.697678 303.094818115234 5.15147063834845 105.06204 1 776 FALSE -"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.501917688567097 647 782 780 105.491046 303.0947265625 4.84940936730615 105.940902 1 782 TRUE -"373" 303.165173950139 303.094573974609 303.165924072266 61.541034 48.5632728 73.692786 105516077.576669 335184775.802581 13435952 21538205.1865512 1 15.5391777232997 2 628 "LCMSMS_1.mzML" 1 1176 422 420 59.2511508 303.165893554688 2.37363856485134 59.6153886 2 422 TRUE -"373" 303.0935043503 302.960144042969 303.131256103516 106.573314 92.927058 120.16695 19249352.6008139 61208306.3768512 3236424.5 3692449.07508445 1 13.9921603600895 2 627 "LCMSMS_1.mzML" 0.471553873057289 1474 779 774 104.89992 303.094757080078 4.13314623929914 105.544524 2 779 FALSE -"379" 306.165343359271 306.06103515625 306.213012695312 60.634806 46.161033 72.774312 36600545.6318729 108090728.78972 4446653 6816835.56164917 1 12.4462615141952 1 240 "LCMSMS_2.mzML" 1 373 453 450 62.924034 306.165435791016 0.301901395845472 63.36927 1 453 TRUE -"379" 306.165842675626 306.061004638672 306.213134765625 60.766158 46.2952926 72.943668 37548935.0549396 109642616.014956 4414727.5 6871656.61167438 1 12.0218953801312 2 629 "LCMSMS_1.mzML" 1 1188 436 432 60.766158 306.165435791016 1.32896801008782 61.320012 2 436 TRUE -"381" 307.065221870812 307.064056396484 307.169128417969 83.441172 71.233434 95.851296 78574866.5101825 293271085.609162 9362117 19081528.0813003 1 23.4910219491376 1 242 "LCMSMS_2.mzML" 1 495 599 594 81.162672 307.064361572266 2.80168018140163 81.801528 1 599 TRUE -"381" 307.065169833815 307.063385009766 307.169067382812 84.41529 72.171048 96.932814 78681676.5042767 294895222.314072 9072029 19080166.5155122 1 22.897889728418 2 631 "LCMSMS_1.mzML" 1 1322 597 594 81.344292 307.064361572266 2.63221501147223 81.801648 2 597 TRUE -"390" 310.136154574354 310.094848632812 310.139251708984 64.427298 52.214286 76.520544 44104606.2705919 144052622.377804 7909532.5 9388008.67555042 1 14.59502153435 1 248 "LCMSMS_2.mzML" 0.94388036072062 365 443 438 61.39704 310.139099121094 9.49436786473756 62.027772 1 443 TRUE -"390" 310.173263964048 310.150390625 310.175689697266 99.89805 87.323322 111.9768 25173738.5677415 93624006.971868 4346344 6025361.77354898 1 21.558563485774 1 249 "LCMSMS_2.mzML" 1 600 725 720 97.518552 310.173309326172 0.146247692671587 98.164152 1 725 TRUE -"390" 310.173266651277 310.150115966797 310.175750732422 100.10529 87.51981 112.174302 24630837.8835849 91209841.2668348 4351755.5 5878351.8717454 1 20.1803526416102 2 638 "LCMSMS_1.mzML" 1 1429 725 720 97.724058 310.173309326172 0.137584052624711 98.36952 2 725 TRUE -"391" 311.123379951208 311.123016357422 311.142364501953 60.634806 46.926273 72.774312 98444541.2409738 348975443.909799 14418379 21226552.2742303 1 23.1925416502974 1 250 "LCMSMS_2.mzML" 1 313 381 378 53.7376638 311.123199462891 0.580118141553539 54.1956378 1 381 TRUE -"391" 311.123379951208 311.123016357422 311.142364501953 60.634806 46.926273 72.774312 98444541.2409738 348975443.909799 14418379 21226552.2742303 1 23.1925416502974 1 250 "LCMSMS_2.mzML" 0.91523007796229 372 452 450 62.924034 311.123229980469 0.482029794320406 63.275268 1 452 TRUE -"391" 311.123400403986 311.123168945312 311.154296875 60.766158 47.0589156 72.943668 99065306.7108134 349788861.441224 15152226 21428403.8316678 1 22.758429819726 2 639 "LCMSMS_1.mzML" 1 1153 394 390 55.4140188 311.123321533203 0.253503216085366 55.946496 2 394 TRUE -"391" 311.123400403986 311.123168945312 311.154296875 60.766158 47.0589156 72.943668 99065306.7108134 349788861.441224 15152226 21428403.8316678 1 22.758429819726 2 639 "LCMSMS_1.mzML" 0.916979906668476 1211 464 462 64.605414 311.123321533203 0.253503216085366 64.969764 2 464 TRUE -"397" 313.174482616203 313.113555908203 313.176605224609 70.461672 58.3416642 82.686066 76735438.3950883 296085627.94992 14535441 19468804.5122119 1 27.9940860674876 1 253 "LCMSMS_2.mzML" 1 414 502 498 68.984166 313.175231933594 2.39265148591576 69.505398 1 502 TRUE -"397" 313.174538907599 313.114074707031 313.176544189453 70.627524 58.478901 82.86993 78807612.8969526 304563676.558895 14610366 20027259.4823964 1 27.9435164712427 2 642 "LCMSMS_1.mzML" 1 1245 505 504 69.864534 313.175262451172 2.3103524816173 70.135176 2 505 TRUE -"407" 317.178762768594 317.101623535156 317.181671142578 69.154026 56.1655458 82.86993 59705672.8641921 143145768.151474 6425961.5 8610200.94271831 1 10.1578079460769 2 646 "LCMSMS_1.mzML" 1 1227 483 480 66.865908 317.181549072266 8.78464764455319 67.324002 2 483 TRUE -"407" 317.178762768594 317.101623535156 317.181671142578 69.154026 56.1655458 82.86993 59705672.8641921 143145768.151474 6425961.5 8610200.94271831 1 10.1578079460769 2 646 "LCMSMS_1.mzML" 0.964231982573396 1312 585 582 79.776168 317.181579589844 8.88086334909349 80.235144 2 585 TRUE -"415" 320.180476490627 320.092437744141 320.181243896484 62.924034 50.6971758 75.78993 88694492.5766606 254051206.869469 8591997 16485122.5970052 1 11.0208834722209 1 260 "LCMSMS_2.mzML" 1 376 457 456 63.683916 320.181091308594 1.92022316279576 63.954426 1 457 TRUE -"415" 320.180476490627 320.092437744141 320.181243896484 62.924034 50.6971758 75.78993 88694492.5766606 254051206.869469 8591997 16485122.5970052 1 11.0208834722209 1 260 "LCMSMS_2.mzML" 0.984477522818426 431 523 522 72.006432 320.181030273438 1.72959581125021 72.277038 1 523 TRUE -"415" 320.180703349782 320.092681884766 320.181243896484 63.078168 50.8435338 75.972048 90433506.8265123 259008963.055609 8997821 16789150.1953663 1 11.0853747953043 2 649 "LCMSMS_1.mzML" 1 1205 457 456 63.848922 320.181121826172 1.3070006582982 64.119528 2 457 TRUE -"415" 320.180703349782 320.092681884766 320.181243896484 63.078168 50.8435338 75.972048 90433506.8265123 259008963.055609 8997821 16789150.1953663 1 11.0853747953043 2 649 "LCMSMS_1.mzML" 0.976040118953191 1260 523 522 72.171048 320.181060791016 1.11637344181876 72.44154 2 523 TRUE -"423" 323.038522617119 323.022125244141 323.132904052734 83.441172 71.233434 96.726306 87743819.4793446 342421900.463912 10586290 21986067.5449416 1 28.0424948973467 1 263 "LCMSMS_2.mzML" 1 492 596 594 81.162672 323.038360595703 0.501554472309746 81.527142 1 596 TRUE -"423" 323.038732142937 323.022186279297 323.132293701172 84.41529 72.171048 96.932814 89310519.3655104 347527122.585686 10342424 22259553.9386873 1 28.5452527322577 2 652 "LCMSMS_1.mzML" 1 1317 591 588 80.555406 323.038360595703 1.1501631131821 81.046518 2 591 TRUE -"423" 323.038732142937 323.022186279297 323.132293701172 84.41529 72.171048 96.932814 89310519.3655104 347527122.585686 10342424 22259553.9386873 1 28.5452527322577 2 652 "LCMSMS_1.mzML" 0.851477476454502 1377 663 660 89.831544 323.038269042969 1.43357412636825 90.289524 2 663 TRUE -"429" 326.147406045903 326.122863769531 326.168548583984 97.724058 82.86993 111.361812 56772818.9351875 165182833.310301 7287107.5 9586008.12852117 1 11.45928592514 2 655 "LCMSMS_1.mzML" 0.856518287935059 1460 763 762 103.302792 326.147247314453 0.486686224002945 103.573326 2 763 TRUE -"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 0.899207292832854 332 404 402 56.7980382 332.181243896484 0.272975971635208 57.1632618 1 404 TRUE -"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 0.935320554200291 393 477 474 65.949288 332.181060791016 0.824197397079887 66.40827 1 477 TRUE -"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 1 478 579 576 78.808182 332.181030273438 0.916067634654 79.266258 1 579 TRUE -"443" 332.100298973136 332.0048828125 332.145355224609 127.720194 116.011194 134.058318 12861757.0433362 37362918.2197274 2113320.25 2865031.21485027 1 11.8140956289705 1 272 "LCMSMS_2.mzML" 1 777 938 936 126.186204 332.100189208984 0.330515065468827 126.551424 1 938 TRUE -"443" 332.18141273421 332.180999755859 332.192352294922 66.147648 52.3652958 82.86993 82815454.0616744 225287287.752257 4308527.5 11640149.938544 1 11.7951907118157 2 662 "LCMSMS_1.mzML" 0.921615672723452 1167 411 408 57.7060356 332.181213378906 0.600139852390469 58.1661168 2 411 TRUE -"443" 332.18141273421 332.180999755859 332.192352294922 66.147648 52.3652958 82.86993 82815454.0616744 225287287.752257 4308527.5 11640149.938544 1 11.7951907118157 2 662 "LCMSMS_1.mzML" 1 1307 579 576 78.998916 332.181121826172 0.875750500263337 79.457892 2 579 TRUE -"443" 332.10021472848 332.005249023438 332.144866943359 127.98057 116.198436 134.305698 12858246.6560856 37708457.8359112 2148441.75 2868791.0639978 1 12.2962127049817 2 661 "LCMSMS_1.mzML" 0.894705509786563 1601 932 930 125.668188 332.100311279297 0.290727957089558 126.03354 2 932 TRUE -"450" 334.138365714283 334.087738037109 334.143218994141 121.56708 108.763806 133.260468 36189941.2705567 141496113.925003 7646763.5 9001348.88293299 1 14.5492638171377 1 275 "LCMSMS_2.mzML" 1 730 881 876 118.391574 334.139282226562 2.74291243987516 119.039922 1 881 TRUE -"450" 334.138365714283 334.087738037109 334.143218994141 121.56708 108.763806 133.260468 36189941.2705567 141496113.925003 7646763.5 9001348.88293299 1 14.5492638171377 1 275 "LCMSMS_2.mzML" 1 744 898 894 120.773958 334.139251708984 2.65158028153481 121.326684 1 898 TRUE -"450" 334.138065762092 334.087768554688 334.143005371094 121.840812 108.961812 134.305698 35583305.2137211 138618399.283178 7802867 8799870.266109 1 14.6514086177019 2 664 "LCMSMS_1.mzML" 1 1558 880 876 118.583076 334.139343261719 3.82326875511859 119.135658 2 880 TRUE -"450" 334.138065762092 334.087768554688 334.143005371094 121.840812 108.961812 134.305698 35583305.2137211 138618399.283178 7802867 8799870.266109 1 14.6514086177019 2 664 "LCMSMS_1.mzML" 1 1574 899 894 120.962436 334.139221191406 3.45793979380559 121.693536 2 899 TRUE -"451" 335.071702758472 334.959289550781 335.127868652344 37.1197878 23.8289076 52.214286 59047325.8093013 199835648.999696 21831216 11703942.4017095 1 16.4685768965563 1 276 "LCMSMS_2.mzML" 0.621537115066523 203 249 246 37.1197878 335.073364257812 4.95863818582275 37.5783708 1 249 TRUE -"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 346 421 420 59.113914 347.192047119141 0.317974525834864 59.384421 1 421 TRUE -"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 401 487 486 67.47903 347.192077636719 0.40587281752108 67.749528 1 487 TRUE -"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 456 553 552 75.78993 347.19189453125 0.121516932596212 76.060428 1 553 TRUE -"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 511 619 618 84.215802 347.192138671875 0.58166940089351 84.486318 1 619 TRUE -"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1180 427 426 60.003786 347.192016601562 0.33489439733978 60.27441 2 427 TRUE -"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1235 493 492 68.393532 347.191955566406 0.159097795540679 68.66418 2 493 TRUE -"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1291 560 558 76.72203 347.192016601562 0.33489439733978 77.087274 2 560 TRUE -"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1350 631 630 85.969068 347.192047119141 0.422792698239331 86.239548 2 631 TRUE -"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 0.975884616575299 612 740 738 99.89805 352.062774658203 1.42366825689262 100.263402 1 740 TRUE -"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 1 666 805 804 108.763806 352.062713623047 1.59703242302873 109.034436 1 805 TRUE -"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 1 722 872 870 117.599064 352.062683105469 1.68371450609679 117.964428 1 872 TRUE -"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1437 735 732 99.309546 352.062805175781 0.168675988963446 99.76851 2 735 TRUE -"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1491 800 798 108.159936 352.062713623047 0.0913706517830443 108.52554 2 800 TRUE -"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1546 866 864 116.993448 352.062805175781 0.168675988963446 117.358662 2 866 TRUE -"513" 361.138129803043 360.993988037109 361.142669677734 70.627524 58.478901 82.10931 24333693.6193136 93371898.8980818 4500519.5 6277266.26403401 1 20.9450523373 2 693 "LCMSMS_1.mzML" 0.592554159471957 1253 514 510 70.627524 361.138793945312 1.83902560996564 71.181378 2 514 TRUE -"515" 362.191525584631 362.191345214844 362.19189453125 64.427298 51.4450368 78.808182 46335006.8213046 151295737.520802 4757333.5 8809476.27512898 1 14.0444009128188 1 304 "LCMSMS_2.mzML" 1 368 447 444 62.153292 362.191528320312 0.00755313504619498 62.61225 1 447 TRUE -"515" 362.191552337749 362.191314697266 362.191864013672 64.605414 51.5947758 79.776168 48061018.4866142 153926579.58099 4969405 8914278.88187661 1 14.1470112033174 2 694 "LCMSMS_1.mzML" 1 1189 437 432 60.766158 362.191558837891 0.0179466965002571 61.414758 2 437 TRUE -"518" 363.156167686281 363.154113769531 363.196746826172 69.717042 57.5697876 81.93093 107110160.13601 424241970.342704 28697960 28264027.3015988 1 22.6592311574667 1 306 "LCMSMS_2.mzML" 1 417 506 504 69.717042 363.154388427734 4.89943089081096 70.063068 1 506 TRUE -"518" 363.156117037576 363.154357910156 363.1962890625 69.864534 57.7060356 82.10931 111988706.238804 451567587.495305 28960230 29894834.9664104 1 22.7744272591357 2 696 "LCMSMS_1.mzML" 1 1243 502 498 69.154026 363.154418945312 4.67592912327222 69.668256 2 502 TRUE -"537" 369.150928816373 369.088226318359 369.153656005859 118.583076 107.36631 131.148558 19157121.0997677 56944430.7037858 3194004.25 3808722.83258924 1 10.0398908680149 2 703 "LCMSMS_1.mzML" 1 1538 856 852 115.397934 369.153167724609 6.06502127254726 115.95165 2 856 TRUE -"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 317 "LCMSMS_2.mzML" 1 267 326 324 46.926273 375.186950683594 1.44358584495239 47.2915098 1 326 TRUE -"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 317 "LCMSMS_2.mzML" 0.765929060507093 326 397 396 56.048412 375.186920166016 1.52492538518601 56.3190228 1 397 TRUE -"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 317 "LCMSMS_2.mzML" 0.948751823525466 381 463 462 64.427298 375.186798095703 1.85028354612048 64.697934 1 463 TRUE -"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 317 "LCMSMS_2.mzML" 0.695748300364848 436 529 528 72.774312 375.186767578125 1.93162308635409 73.044798 1 529 TRUE -"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 708 "LCMSMS_1.mzML" 0.983298338983326 1088 316 312 45.5280288 375.187103271484 2.97200435907341 46.0807512 2 316 TRUE -"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 708 "LCMSMS_1.mzML" 0.660291517393232 1145 385 384 54.6427758 375.186859130859 3.62271942172933 54.9133998 2 385 TRUE -"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 708 "LCMSMS_1.mzML" 0.888797365712394 1200 451 450 63.078168 375.186920166016 3.46004065606535 63.348642 2 451 TRUE -"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 708 "LCMSMS_1.mzML" 0.897915524033724 1255 517 516 71.396808 375.186706542969 4.02941633588928 71.667294 2 517 TRUE -"596" 394.162103579203 394.15576171875 394.171966552734 111.9768 99.89805 126.186204 7132566.77370145 23666256.0487011 714096.8125 1434361.60276091 1 10.9843537663043 1 332 "LCMSMS_2.mzML" 1 674 814 810 109.560936 394.160400390625 4.32103584366033 110.114664 1 814 TRUE -"596" 394.162101728829 394.15673828125 394.171905517578 112.983072 100.10529 126.441198 7140491.11313641 24008744.883055 729593.5625 1467502.10704 1 11.0946723612577 2 721 "LCMSMS_1.mzML" 0.947368619335833 1502 813 810 109.75707 394.160461425781 4.16149355832808 110.216034 2 813 TRUE -"612" 401.061711739436 401.060150146484 401.225036621094 34.0415226 21.199029 46.161033 101156427.915091 413004256.21647 29748028 26144805.5252244 1 22.8394097234212 1 335 "LCMSMS_2.mzML" 1 180 221 216 33.2788968 401.060302734375 3.51318767064353 33.9100062 1 221 TRUE -"612" 401.061711739436 401.060150146484 401.225036621094 34.0415226 21.199029 46.161033 101156427.915091 413004256.21647 29748028 26144805.5252244 1 22.8394097234212 1 335 "LCMSMS_2.mzML" 1 184 226 222 34.0415226 401.060333251953 3.4370956946914 34.5973668 1 226 TRUE -"612" 401.06209630001 401.060333251953 401.225616455078 34.1913918 21.262644 46.2952926 108157257.188431 441551976.536895 32990036 27879100.4343351 1 22.8684389866417 2 725 "LCMSMS_1.mzML" 1 1009 221 216 33.428391 401.060333251953 4.39594784208767 34.059738 2 221 TRUE -"612" 401.06209630001 401.060333251953 401.225616455078 34.1913918 21.262644 46.2952926 108157257.188431 441551976.536895 32990036 27879100.4343351 1 22.8684389866417 2 725 "LCMSMS_1.mzML" 1 1014 227 222 34.1913918 401.060363769531 4.31985593909674 34.841856 2 227 TRUE -"618" 404.141901772703 404.122772216797 404.143798828125 126.186204 113.597328 134.058318 6186830.27077119 23470864.8968283 1498748.875 1611642.74767262 1 11.5048529010062 1 338 "LCMSMS_2.mzML" 1 780 941 936 126.186204 404.141937255859 0.0877987574458814 126.835656 1 941 TRUE -"618" 404.141879764006 404.122863769531 404.144226074219 126.441198 113.791176 134.305698 6321770.471542 23977077.4289252 1546538.25 1641415.70042065 1 11.1505637975645 2 729 "LCMSMS_1.mzML" 1 1609 941 936 126.441198 404.141845703125 0.0842795138388624 127.092906 2 941 TRUE -"625" 407.204554471595 407.158233642578 407.24951171875 72.171048 57.7060356 85.191792 18876596.8545548 64541549.1142719 4003013 3904447.21139118 1 12.9577984792609 2 733 "LCMSMS_1.mzML" 0.905774765378743 1261 524 522 72.171048 407.20166015625 7.1077676158887 72.536388 2 524 TRUE -"641" 414.234577223874 414.15576171875 414.269958496094 113.597328 100.69743 125.413584 7475969.21146879 26438744.5821858 843210.9375 1650926.77456831 1 13.2488581581444 1 344 "LCMSMS_2.mzML" 0.906032693585275 684 826 822 111.16869 414.234375 0.488186851542852 111.720672 1 826 TRUE -"651" 417.20974572592 417.180267333984 417.270477294922 77.474424 63.078168 90.601068 22432349.3141121 70724089.6672141 3082974.5 4244826.29946209 1 15.3985991353603 2 738 "LCMSMS_1.mzML" 0.966905196225588 1287 555 552 75.972048 417.208648681641 2.62947903399125 76.431138 2 555 TRUE -"661" 422.245503008018 422.157257080078 422.249267578125 77.267322 65.949288 88.866054 10333015.7024962 30740971.7675276 2424521.75 2137515.17548767 1 10.3847029008525 1 352 "LCMSMS_2.mzML" 1 463 561 558 76.520544 422.2490234375 8.3373995861275 76.978776 1 561 TRUE -"661" 422.244810933483 422.158081054688 422.249237060547 77.474424 66.147648 89.058666 11115750.8073536 33995699.5385793 2324010.5 2355686.78659603 1 11.3796921243798 2 743 "LCMSMS_1.mzML" 1 1294 563 558 76.72203 422.248962402344 9.83190024582168 77.350272 2 563 TRUE -"664" 423.190755443941 423.185028076172 423.252838134766 84.215802 71.233434 96.726306 24488952.9054385 82361775.9459416 4074453.5 5092906.67197299 1 19.1024932587002 1 354 "LCMSMS_2.mzML" 1 514 622 618 84.215802 423.186798095703 9.35121617537657 84.769152 1 622 TRUE -"678" 429.13678581444 429.13623046875 429.137237548828 71.233434 50.6971758 83.441172 51996787.3010654 134809462.339879 5404011.5 7211461.39434763 1 15.0460240597249 1 356 "LCMSMS_2.mzML" 1 310 377 372 52.9810356 429.136749267578 0.0851636661584605 53.6115018 1 377 TRUE -"678" 429.13678581444 429.13623046875 429.137237548828 71.233434 50.6971758 83.441172 51996787.3010654 134809462.339879 5404011.5 7211461.39434763 1 15.0460240597249 1 356 "LCMSMS_2.mzML" 1 424 514 510 70.461672 429.136657714844 0.298505279838225 71.014632 1 514 TRUE -"678" 429.136767529428 429.136199951172 429.138092041016 71.396808 50.0837946 83.64567 53515366.4335274 137082701.660503 5492228 6980810.3518927 1 14.783580013865 2 747 "LCMSMS_1.mzML" 1 1139 377 372 53.1376686 429.136810302734 0.0996729000089511 53.7820062 2 377 TRUE -"678" 429.136767529428 429.136199951172 429.138092041016 71.396808 50.0837946 83.64567 53515366.4335274 137082701.660503 5492228 6980810.3518927 1 14.783580013865 2 747 "LCMSMS_1.mzML" 1 1258 520 516 71.396808 429.136688232422 0.184782597017714 71.953512 2 520 TRUE -"699" 436.215002909334 436.145385742188 436.219696044922 113.597328 101.49993 125.413584 5904448.03806087 20144723.3651187 764445.4375 1303884.29795751 1 10.3653444790918 1 361 "LCMSMS_2.mzML" 0.921419706133938 685 827 822 111.16869 436.216247558594 2.85329310399634 111.816408 1 827 TRUE -"705" 437.26196926482 437.259826660156 437.268768310547 82.686066 69.717042 95.067042 3032670.80090554 11322819.978798 739371.1875 730667.904455794 1 12.1784701858079 1 362 "LCMSMS_2.mzML" 0.534230165424194 500 605 600 81.93093 437.259979248047 4.55108587845037 82.559142 1 605 TRUE -"705" 437.262039320009 437.259765625 437.345703125 82.86993 70.627524 95.269182 3072296.30017716 11642746.3242237 832326.375 755209.503933987 1 12.2874657221692 2 751 "LCMSMS_1.mzML" 0.612492534699059 1329 605 600 82.10931 437.260040283203 4.57171358505199 82.742526 2 605 TRUE -"739" 452.191973065994 452.189270019531 452.224395751953 112.786446 99.89805 125.413584 6698054.22775966 25121192.6204043 801245.875 1552769.73925228 1 10.6990378753924 1 368 "LCMSMS_2.mzML" 0.940645050319878 680 821 816 110.36505 452.190155029297 4.02049749895926 111.010422 1 821 TRUE -"739" 452.191556747302 452.150634765625 452.224822998047 112.983072 100.10529 125.668188 6949753.68966263 25983143.0046032 813885.0625 1605073.99568666 1 10.4472184123822 2 758 "LCMSMS_1.mzML" 0.936953196044324 1509 821 816 110.559792 452.190155029297 3.09983232557278 111.205782 2 821 TRUE -"757" 461.207113324101 461.110168457031 461.2431640625 76.520544 65.179668 88.866054 48904711.0742877 195241268.75592 14374106 12850193.8354307 1 21.2071228333724 1 371 "LCMSMS_2.mzML" 1 465 563 558 76.520544 461.209899902344 6.04192381657049 77.141778 1 563 TRUE -"757" 461.20738152051 461.121826171875 461.243560791016 77.474424 65.376156 89.831544 48607882.314214 192672537.990574 14159047 12716867.2850009 1 20.5600686941203 2 761 "LCMSMS_1.mzML" 1 1299 569 564 77.474424 461.209899902344 5.460410945608 78.102018 2 569 TRUE -"759" 462.22122959389 462.213439941406 462.291839599609 57.7060356 44.7995376 75.972048 38559454.0832874 105979165.236253 3445839.75 5926579.6352243 1 10.2307809194678 2 762 "LCMSMS_1.mzML" 0.944176192726551 1187 435 432 60.766158 462.218811035156 5.23247003559527 61.226112 2 435 TRUE -"787" 476.190702761819 476.186126708984 476.307098388672 81.162672 69.717042 92.725812 39151803.0473944 118893746.090445 7816689 8198001.40019319 1 14.9845576620757 1 378 "LCMSMS_2.mzML" 0.977294138555063 474 574 570 78.035046 476.186828613281 8.13570805892727 78.58677 1 574 TRUE -"787" 476.190794182677 476.186218261719 476.307495117188 81.344292 69.864534 92.927058 43745001.5410773 135433069.148731 8875996 9304027.49811656 1 15.612354791168 2 768 "LCMSMS_1.mzML" 0.917917041077806 1303 574 570 78.227304 476.186981201172 8.00725581423595 78.779022 2 574 TRUE -"787" 476.190794182677 476.186218261719 476.307495117188 81.344292 69.864534 92.927058 43745001.5410773 135433069.148731 8875996 9304027.49811656 1 15.612354791168 2 768 "LCMSMS_1.mzML" 0.990314571321696 1309 581 576 78.998916 476.187042236328 7.87908207170328 79.648392 2 581 TRUE -"812" 487.181176540989 487.099060058594 487.239410400391 66.710418 54.5086626 79.585674 58453273.9503532 230378509.09492 15813294 14998690.3403142 1 19.4416133244468 1 384 "LCMSMS_2.mzML" 1 394 478 474 65.949288 487.177612304688 7.31603861859596 66.493134 1 478 TRUE -"812" 487.180877999963 487.099700927734 487.239501953125 66.865908 54.6427758 78.998916 60132074.4709007 238189012.918308 18110170 15528706.5784369 1 19.1064097764383 2 774 "LCMSMS_1.mzML" 1 1224 479 474 66.147648 487.177856445312 6.20212078776047 66.74139 2 479 TRUE -"830" 494.196757645669 494.119018554688 494.198516845703 49.9356528 37.8964158 62.153292 31096636.998985 121560345.75829 6061495.5 8000920.55155143 1 19.2246142395834 1 387 "LCMSMS_2.mzML" 1 280 341 336 48.4095336 494.197631835938 1.76891138083971 49.060251 1 341 TRUE -"830" 494.1970608933 494.119293212891 494.197875976562 50.0837946 38.0417766 62.309778 31975460.900009 125089224.818786 5749075.5 8239138.02501223 1 18.9671855740286 2 776 "LCMSMS_1.mzML" 1 1112 345 342 49.3156656 494.197631835938 1.15529347093956 49.7757558 2 345 TRUE -"840" 498.169308539313 498.16845703125 498.28955078125 81.162672 68.984166 93.504684 46040504.6258466 180736904.384221 9105023 11919892.2978446 1 18.9934607564632 1 389 "LCMSMS_2.mzML" 1 479 580 576 78.808182 498.168731689453 1.15793937994546 79.36215 1 580 TRUE -"840" 498.169196251216 498.168304443359 498.216522216797 81.344292 69.864534 93.704046 47195241.5238887 185121008.239345 9710354 12214248.0689462 1 17.5782472187331 2 778 "LCMSMS_1.mzML" 1 1313 586 582 79.776168 498.168914794922 0.564981329073345 80.330904 2 586 TRUE -"840" 498.169196251216 498.168304443359 498.216522216797 81.344292 69.864534 93.704046 47195241.5238887 185121008.239345 9710354 12214248.0689462 1 17.5782472187331 2 778 "LCMSMS_1.mzML" 1 1372 657 654 89.058666 498.169708251953 1.02776474439097 89.521512 2 657 TRUE -"843" 499.250501059464 499.216003417969 499.255126953125 129.271086 116.806434 134.058318 55312967.4069412 179331694.489759 13120593 14382850.9535263 1 18.1627514816931 1 391 "LCMSMS_2.mzML" 1 778 939 936 126.186204 499.250396728516 0.208975150626037 126.64716 1 939 TRUE -"843" 499.250391260917 499.216522216797 499.254547119141 129.525558 116.993448 134.305698 60960211.430872 197064903.836068 13479257 15776334.7230698 1 17.5991745757 2 780 "LCMSMS_1.mzML" 1 1605 937 936 126.441198 499.250396728516 0.0109516161922676 126.711816 2 937 TRUE +"grpid" "mz" "mzmin" "mzmax" "rt" "rtmin" "rtmax" "into" "intf" "maxo" "maxf" "i" "sn" "sample" "filename" "cid" "inPurity" "pid" "precurMtchID" "precurMtchScan" "precurMtchRT" "precurMtchMZ" "precurMtchPPM" "retentionTime" "fileid" "seqNum" "purity_pass_flag" +"12" 112.050766766484 112.050651550293 112.087196350098 67.47903 55.2769038 80.361672 36223791.266206 133522503.549415 7158012.5 8555976.39592391 1 21.054952458659 1 "LCMSMS_2.mzML" 9 1 384 466 462 64.427298 112.050704956055 0.55162878935702 64.958766 1 466 TRUE +"12" 112.05085569128 112.050621032715 112.120460510254 67.634034 55.4140188 80.555406 36139265.8017591 133395720.51942 7426335.5 8522973.08164079 1 20.3803986860233 2 "LCMSMS_1.mzML" 400 1 1218 472 468 65.376156 112.050743103027 1.00479600749392 65.928894 2 472 TRUE +"14" 113.03541992282 113.034698486328 113.059997558594 83.441172 72.006432 95.851296 88462324.9597518 348004137.88132 18599380 22772249.3980656 1 27.431622141047 1 "LCMSMS_2.mzML" 11 1 499 604 600 81.93093 113.034736633301 6.04491512630164 82.463394 1 604 TRUE +"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 "LCMSMS_1.mzML" 402 1 1321 596 594 81.344292 113.034736633301 5.61834418239318 81.70764 2 596 TRUE +"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 "LCMSMS_1.mzML" 402 0.472133563046185 1380 667 666 90.601068 113.034713745117 5.8208310964319 90.871572 2 667 FALSE +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 "LCMSMS_2.mzML" 13 0.950632241095866 226 277 276 40.9547952 116.070838928223 1.7359353575902 41.2252842 1 277 TRUE +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 "LCMSMS_2.mzML" 13 1 281 343 342 49.182402 116.070831298828 1.67020474130592 49.452918 1 343 TRUE +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 "LCMSMS_2.mzML" 13 1 337 410 408 57.5697876 116.070770263672 1.14435981103166 57.9341562 1 410 TRUE +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 "LCMSMS_1.mzML" 404 0.989376188689562 1055 277 276 41.0984136 116.070816040039 2.22463819204545 41.3688786 2 277 TRUE +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 "LCMSMS_1.mzML" 404 1 1110 343 342 49.3156656 116.070823669434 2.29036885341395 49.586265 2 343 TRUE +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 "LCMSMS_1.mzML" 404 1 1165 409 408 57.7060356 116.070785522461 1.96171554657148 57.976677 2 409 TRUE +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 "LCMSMS_2.mzML" 27 1 391 475 474 65.949288 132.101821899414 0.0447061558976329 66.21981 1 475 TRUE +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 "LCMSMS_2.mzML" 27 1 446 541 540 74.297424 132.101867675781 0.301817188616646 74.567904 1 541 TRUE +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 "LCMSMS_2.mzML" 27 1 501 607 606 82.686066 132.101852416992 0.186309407111886 82.956534 1 607 TRUE +"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 "LCMSMS_1.mzML" 419 1 1223 478 474 66.147648 132.101852416992 0.190663125216797 66.662874 2 478 TRUE +"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 "LCMSMS_1.mzML" 419 1 1280 547 546 75.21942 132.101806640625 0.155860220806146 75.489906 2 547 TRUE +"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 "LCMSMS_1.mzML" 419 1 1338 616 612 83.64567 132.10188293457 0.421678689232093 84.193392 2 616 TRUE +"47" 137.045578757527 136.940017700195 137.045684814453 126.956946 114.406068 134.058318 1914326353.43818 7149870134.39123 339347296 497573209.284211 1 34.3024850459489 1 "LCMSMS_2.mzML" 33 1 746 901 900 121.56708 137.045669555664 0.662539701371764 121.837692 1 901 TRUE +"47" 137.045578757527 136.940017700195 137.045684814453 126.956946 114.406068 134.058318 1914326353.43818 7149870134.39123 339347296 497573209.284211 1 34.3024850459489 1 "LCMSMS_2.mzML" 33 1 802 968 966 130.031346 137.045639038086 0.439857741094926 130.377228 1 968 TRUE +"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 "LCMSMS_1.mzML" 425 1 1577 903 900 121.840812 137.045669555664 0.751521765321877 122.29704 2 903 TRUE +"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 "LCMSMS_1.mzML" 425 1 1641 980 978 131.936568 137.045623779297 0.417498795184589 132.282558 2 980 TRUE +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 "LCMSMS_2.mzML" 36 0.478583762215561 265 323 318 46.161033 138.054763793945 0.385456784658412 46.8046212 1 323 FALSE +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 "LCMSMS_2.mzML" 36 0.926032123629646 270 329 324 46.926273 138.05485534668 1.04861948291394 47.539992 1 329 TRUE +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 "LCMSMS_2.mzML" 36 1 291 355 354 50.6971758 138.054748535156 0.27492966828249 50.9677686 1 355 TRUE +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 "LCMSMS_2.mzML" 36 0.982863487460479 347 422 420 59.113914 138.054809570312 0.717038133786177 59.477268 1 422 TRUE +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 "LCMSMS_1.mzML" 428 0.449226243412885 1094 323 318 46.2952926 138.054809570312 0.627452613468721 46.9377588 2 323 FALSE +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 "LCMSMS_1.mzML" 428 0.682440289459046 1096 326 324 47.0589156 138.054809570312 0.627452613468721 47.4072606 2 326 TRUE +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 "LCMSMS_1.mzML" 428 1 1135 373 372 53.1376686 138.054824829102 0.73797971994302 53.408286 2 373 TRUE +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 "LCMSMS_1.mzML" 428 0.891554874127874 1190 439 438 61.541034 138.054779052734 0.406398400520122 61.811526 2 439 TRUE +"49" 138.048727400006 138.017150878906 138.049011230469 126.956946 114.406068 134.058318 107319384.367588 399179027.020378 19350734 27741080.6360187 1 28.7232463589518 1 "LCMSMS_2.mzML" 35 0.786277688323535 764 922 918 123.896694 138.048767089844 0.287506005368198 124.445286 1 922 TRUE +"49" 138.048704393746 138.017150878906 138.049011230469 126.441198 114.599184 134.305698 108751663.360006 405340993.012011 18617462 28101051.9066502 1 30.0539027494402 2 "LCMSMS_1.mzML" 427 0.796822033254558 1598 928 924 124.941198 138.048797607422 0.67522311432569 125.455416 2 928 TRUE +"51" 140.067802644286 140.001693725586 140.115173339844 46.161033 34.0415226 58.3416642 170011285.612119 677292518.463321 32451352 44271770.7647804 1 30.5218137136917 1 "LCMSMS_2.mzML" 38 1 236 289 288 42.4292958 140.068130493164 2.34064411904564 42.6998922 1 289 TRUE +"51" 140.06784640212 140.001708984375 140.070831298828 46.2952926 34.1913918 58.478901 174282446.190803 693996060.277404 31643056 45478430.4205372 1 30.1832371220605 2 "LCMSMS_1.mzML" 430 1 1078 304 300 44.0806488 140.068084716797 1.70142315424764 44.603985 2 304 TRUE +"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 "LCMSMS_2.mzML" 44 1 235 287 282 41.6846646 146.117492675781 0.668288238413146 42.3093822 1 287 TRUE +"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 "LCMSMS_2.mzML" 44 0.983625855342406 292 356 354 50.6971758 146.117309570312 0.584851189071573 51.0603918 1 356 TRUE +"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 "LCMSMS_1.mzML" 435 1 1084 311 306 44.7995376 146.117416381836 0.131094031138655 45.406614 2 311 TRUE +"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 "LCMSMS_1.mzML" 435 0.837758373655053 1140 379 378 53.9081688 146.117370605469 0.182190821016718 54.1786398 2 379 TRUE +"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 "LCMSMS_2.mzML" 45 0.933453799267343 412 500 498 68.984166 147.043823242188 0.179918260382272 69.347514 1 500 TRUE +"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 "LCMSMS_2.mzML" 45 0.932823700733781 415 503 498 68.984166 147.043853759766 0.0276224030842009 69.59589 1 503 TRUE +"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 "LCMSMS_1.mzML" 436 0.988002630523906 1239 497 492 68.393532 147.043838500977 0.101782193880233 69.033138 2 497 TRUE +"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 "LCMSMS_1.mzML" 436 0.980928808379244 1241 500 498 69.154026 147.043838500977 0.101782193880233 69.517518 2 500 TRUE +"66" 148.042683925669 148.039047241211 148.047088623047 64.427298 51.4450368 77.267322 54935005.6176214 205821097.687204 6768361.5 13161064.5222934 1 23.5355240524895 1 "LCMSMS_2.mzML" 47 1 359 436 432 60.634806 148.042587280273 0.652821154739326 61.178016 1 436 TRUE +"66" 148.042721958059 148.038986206055 148.047119140625 64.605414 52.3652958 77.474424 58447146.6341686 220334578.529236 8228312 14115433.6753709 1 23.8773430863274 2 "LCMSMS_1.mzML" 438 1 1194 443 438 61.541034 148.042556762695 1.1158627820936 62.184492 2 443 TRUE +"67" 149.026338801704 149.026229858398 149.026382446289 91.18956 78.808182 103.89993 1698958704.63737 6840419077.33234 349382368 436967869.633165 1 31.7357588758856 1 "LCMSMS_2.mzML" 49 0.840255867615411 605 731 726 98.311686 149.026306152344 0.219084497676219 98.956014 1 731 TRUE +"67" 149.026337703886 149.026229858398 149.026382446289 91.376562 78.998916 104.102922 1669137911.63194 6717727255.45554 353652704 429749452.797022 1 31.8010283688846 2 "LCMSMS_1.mzML" 440 0.835356522321461 1434 731 726 98.516814 149.026321411133 0.109328008331516 99.1614 2 731 TRUE +"68" 150.058153535588 150.058074951172 150.076126098633 62.924034 50.6971758 75.78993 495190716.923188 1984294720.42183 111902200 129689299.71264 1 32.4229937385997 1 "LCMSMS_2.mzML" 52 1 361 439 438 61.39704 150.058166503906 0.0864219478424959 61.66767 1 439 TRUE +"68" 150.058153535588 150.058074951172 150.076126098633 62.924034 50.6971758 75.78993 495190716.923188 1984294720.42183 111902200 129689299.71264 1 32.4229937385997 1 "LCMSMS_2.mzML" 52 0.910779902061608 416 505 504 69.717042 150.058135986328 0.116949727777665 69.987654 1 505 TRUE +"68" 150.05818311751 150.05810546875 150.112197875977 63.078168 51.5947758 75.972048 489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 "LCMSMS_1.mzML" 443 1 1195 445 444 62.309778 150.058135986328 0.314086049683708 62.58027 2 445 TRUE +"68" 150.05818311751 150.05810546875 150.112197875977 63.078168 51.5947758 75.972048 489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 "LCMSMS_1.mzML" 443 0.899887678060438 1250 511 510 70.627524 150.05810546875 0.517457685211921 70.898028 2 511 TRUE +"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 "LCMSMS_2.mzML" 56 1 490 593 588 80.361672 153.040512084961 1.36876674481465 81.033882 1 593 TRUE +"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 "LCMSMS_2.mzML" 56 1 548 663 660 89.6403 153.040344238281 2.46551196382807 90.100398 1 663 TRUE +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 "LCMSMS_1.mzML" 447 1 1318 592 588 80.555406 153.040512084961 1.42054480190384 81.122028 2 592 TRUE +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 "LCMSMS_1.mzML" 447 1 1375 661 660 89.831544 153.04035949707 2.41758585847294 90.102054 2 661 TRUE +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 "LCMSMS_1.mzML" 447 1 1430 727 726 98.516814 153.040557861328 1.12143248493311 98.787414 2 727 TRUE +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 "LCMSMS_2.mzML" 59 0.672380618767158 247 302 300 43.9150368 156.076675415039 3.222597768605 44.278287 1 302 TRUE +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 "LCMSMS_2.mzML" 59 0.71122543687701 250 305 300 43.9150368 156.076675415039 3.222597768605 44.5133742 1 305 TRUE +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 "LCMSMS_2.mzML" 59 1 306 373 372 52.9810356 156.076614379883 2.83153771572103 53.2516788 1 373 TRUE +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 "LCMSMS_2.mzML" 59 1 362 440 438 61.39704 156.076599121094 2.73377270250004 61.760394 1 440 TRUE +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 "LCMSMS_1.mzML" 450 0.689159500011442 1076 302 300 44.0806488 156.076690673828 2.9013587500534 44.445024 2 302 TRUE +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 "LCMSMS_1.mzML" 450 0.737802126994146 1080 307 306 44.7995376 156.076675415039 2.80359377779621 45.0700188 2 307 TRUE +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 "LCMSMS_1.mzML" 450 1 1136 374 372 53.1376686 156.076644897461 2.60806383328182 53.501001 2 374 TRUE +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 "LCMSMS_1.mzML" 450 1 1196 446 444 62.309778 156.076553344727 2.02147399973867 62.673012 2 446 TRUE +"77" 158.091194778484 158.01237487793 158.092437744141 43.9150368 31.7040216 56.7980382 45651083.5292649 158918716.937194 5473670 10103433.7061221 1 21.2526001663955 1 "LCMSMS_2.mzML" 61 0.899008484879181 225 275 270 40.1901702 158.092361450195 7.37973871940025 40.833891 1 275 TRUE +"77" 158.090977512596 157.992492675781 158.092468261719 44.0806488 31.850268 56.9384052 45829048.4233895 158954748.927492 4950029.5 10075169.186439 1 21.085999665894 2 "LCMSMS_1.mzML" 452 0.897284870200624 1058 280 276 41.0984136 158.092376708984 8.85057712168554 41.6124906 2 280 TRUE +"88" 164.929981664987 164.920303344727 165.048141479492 40.1901702 27.3304008 52.214286 45555104.4925582 184838312.743353 9348705 11881048.7967838 1 21.4391626539814 1 "LCMSMS_2.mzML" 67 0.918813676323213 210 257 252 37.8964158 164.930053710938 0.436827493730139 38.5225062 1 257 TRUE +"88" 164.930363340782 164.920318603516 165.000762939453 40.331784 27.436638 52.3652958 44606234.834488 181017913.491933 9182994 11636503.0263511 1 21.6820650392366 2 "LCMSMS_1.mzML" 459 0.927795470693746 1039 257 252 38.0417766 164.930099487305 1.59978715885581 38.6629848 2 257 TRUE +"89" 165.054460611227 165.054306030273 165.09098815918 70.461672 58.3416642 82.686066 157204927.610844 633134818.725802 31821408 41756665.6144017 1 31.7047589812144 1 "LCMSMS_2.mzML" 68 1 399 484 480 66.710418 165.054473876953 0.0803718152102289 67.258524 1 484 TRUE +"89" 165.054460611227 165.054306030273 165.09098815918 70.461672 58.3416642 82.686066 157204927.610844 633134818.725802 31821408 41756665.6144017 1 31.7047589812144 1 "LCMSMS_2.mzML" 68 1 458 555 552 75.78993 165.054412841797 0.289416168852581 76.24689 1 555 TRUE +"89" 165.054493582072 165.054382324219 165.091018676758 70.627524 58.478901 82.86993 157329282.103013 633950618.797678 31930138 41817543.0206629 1 31.9990026564801 2 "LCMSMS_1.mzML" 460 1 1233 490 486 67.634034 165.054458618164 0.211832509161606 68.179014 2 490 TRUE +"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 "LCMSMS_2.mzML" 72 1 317 386 384 54.5086626 170.092300415039 0.513202631121696 54.8720202 1 386 TRUE +"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 "LCMSMS_2.mzML" 72 1 377 458 456 63.683916 170.092178344727 0.204468744060742 64.033398 1 458 TRUE +"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 "LCMSMS_2.mzML" 72 0.751851935279909 438 531 528 72.774312 170.092163085938 0.294177665958547 73.216398 1 531 TRUE +"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 "LCMSMS_1.mzML" 464 1 1149 389 384 54.6427758 170.092239379883 0.117628016757482 55.2882408 2 389 TRUE +"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 "LCMSMS_1.mzML" 464 1 1207 459 456 63.848922 170.092193603516 0.151498739048505 64.292004 2 459 TRUE +"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 "LCMSMS_1.mzML" 464 0.767818411875926 1267 531 528 72.943668 170.092163085938 0.330916576252497 73.38288 2 531 TRUE +"106" 178.057265428919 177.960739135742 178.058578491211 45.3966672 33.2788968 57.5697876 107208995.879736 426351769.726465 20264748 27837870.2038831 1 30.7664610327479 1 "LCMSMS_2.mzML" 79 1 242 296 294 43.1829192 178.058502197266 6.94590217257655 43.5352578 1 296 TRUE +"106" 178.057362357306 177.960906982422 178.107238769531 45.5280288 33.428391 57.7060356 109199679.276284 434620185.015327 20406868 28448042.0351455 1 30.2351177663392 2 "LCMSMS_1.mzML" 471 1 1073 298 294 43.3414116 178.058502197266 6.40153231546711 43.8788766 2 298 TRUE +"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 "LCMSMS_2.mzML" 83 1 395 479 474 65.949288 182.080947875977 0.192181696457397 66.585882 1 479 TRUE +"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 "LCMSMS_2.mzML" 83 1 452 548 546 75.040038 182.080978393555 0.0245772731716239 75.386076 1 548 TRUE +"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 "LCMSMS_2.mzML" 83 1 462 560 558 76.520544 182.081024169922 0.226829361757037 76.884018 1 560 TRUE +"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 "LCMSMS_1.mzML" 475 1 1225 481 480 66.865908 182.081039428711 0.283802406121786 67.1364 2 481 TRUE +"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 "LCMSMS_1.mzML" 475 1 1281 548 546 75.21942 182.080963134766 0.135208640850934 75.565278 2 548 TRUE +"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 "LCMSMS_1.mzML" 475 1 1289 557 552 75.972048 182.081008911133 0.116197987332698 76.599252 2 557 TRUE +"127" 189.123836918215 189.087127685547 189.134567260742 49.182402 38.6530368 59.113914 73014397.0673668 235281079.680687 13534067 17553807.2912804 2 10.0050527537283 1 "LCMSMS_2.mzML" 91 0.936195500849476 282 344 342 49.182402 189.123199462891 3.37057102490262 49.5321612 1 344 TRUE +"127" 189.123836741155 189.123138427734 189.134719848633 50.0837946 38.7940218 59.2511508 77454068.3063944 251989170.144413 14308037 18763393.7591957 2 10.3593904294032 2 "LCMSMS_1.mzML" 483 0.843596321889113 1101 332 330 47.814411 189.12321472168 3.28895334163321 48.177636 2 332 TRUE +"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 "LCMSMS_2.mzML" 94 0.381690143956427 214 262 258 38.6530368 191.040237426758 8.74833036714082 39.201996 1 262 FALSE +"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 "LCMSMS_2.mzML" 94 0.413512380700657 215 263 258 38.6530368 191.040237426758 8.74833036714082 39.2947548 1 263 FALSE +"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 "LCMSMS_2.mzML" 94 0.777673424401892 228 279 276 40.9547952 191.040191650391 8.9879446355133 41.3761842 1 279 TRUE +"134" 192.070004316993 192.068435668945 192.159378051758 121.840812 109.75707 133.503804 6688043.65811988 24252761.5724549 1647994.5 1597829.80008397 1 10.0964474097943 2 "LCMSMS_1.mzML" 487 1 1568 892 888 120.16695 192.06867980957 6.89596185316682 120.719778 2 892 TRUE +"136" 194.033955868316 193.974349975586 194.11750793457 45.3966672 33.2788968 58.3416642 33129363.93583 126346168.61234 7712030.5 8168938.04981718 1 24.4596098509999 1 "LCMSMS_2.mzML" 97 1 252 308 306 44.6336652 194.032531738281 7.33959181536514 44.9970132 1 308 TRUE +"136" 194.033961457167 193.974548339844 194.117202758789 45.5280288 33.428391 57.7060356 34261724.0753671 131360169.574669 7448038 8573625.45738317 1 25.0433988110197 2 "LCMSMS_1.mzML" 489 1 1082 309 306 44.7995376 194.032531738281 7.36839507267366 45.2385 2 309 TRUE +"143" 200.039036175676 199.990417480469 200.05534362793 43.9150368 31.7040216 56.048412 62417372.2964744 238939831.229273 13601618 15867218.5995072 1 23.9081228390022 1 "LCMSMS_2.mzML" 102 0.827972965127136 248 303 300 43.9150368 200.040481567383 7.22554824455522 44.362509 1 303 TRUE +"143" 200.039076107751 199.990539550781 200.055267333984 44.0806488 31.850268 56.1655458 63115746.8678432 241275739.080238 14604527 16063269.6598853 1 24.1787310671836 2 "LCMSMS_1.mzML" 494 0.767260518462937 1074 299 294 43.3414116 200.040496826172 7.10220447261701 43.96086 2 299 TRUE +"150" 203.139004267186 203.138748168945 203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 "LCMSMS_2.mzML" 106 0.975098548089428 389 472 468 65.179668 203.138809204102 0.960244366979045 65.729394 1 472 TRUE +"150" 203.139004267186 203.138748168945 203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 "LCMSMS_2.mzML" 106 1 447 542 540 74.297424 203.13883972168 0.810014339835363 74.643408 1 542 TRUE +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 "LCMSMS_1.mzML" 498 0.987995155912351 1219 473 468 65.376156 203.138854980469 0.688929364761007 66.021636 2 473 TRUE +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 "LCMSMS_1.mzML" 498 1 1275 541 540 74.45592 203.138793945312 0.989389432860519 74.726424 2 541 TRUE +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 "LCMSMS_1.mzML" 498 0.750231617684845 1330 607 606 82.86993 203.138854980469 0.688929364761007 83.14053 2 607 TRUE +"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 "LCMSMS_2.mzML" 107 0.679733861324877 297 362 360 51.4450368 204.122802734375 7.13966357500352 51.8082648 1 362 TRUE +"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 "LCMSMS_2.mzML" 107 1 305 371 366 52.214286 204.122817993164 7.21441709494699 52.854519 1 371 TRUE +"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 "LCMSMS_2.mzML" 107 0.949533862703207 363 441 438 61.39704 204.122848510742 7.36392413483392 61.840254 1 441 TRUE +"152" 204.121491500524 204.05583190918 204.142135620117 56.9384052 44.0806488 69.154026 945349158.533167 3774433902.84221 192277952 245432737.225034 1 31.3148658869282 2 "LCMSMS_1.mzML" 499 1 1141 380 378 53.9081688 204.122817993164 6.49854471623582 54.2541396 2 380 TRUE +"152" 204.121491500524 204.05583190918 204.142135620117 56.9384052 44.0806488 69.154026 945349158.533167 3774433902.84221 192277952 245432737.225034 1 31.3148658869282 2 "LCMSMS_1.mzML" 499 0.808846763694402 1202 453 450 63.078168 204.122863769531 6.72280511552544 63.534138 2 453 TRUE +"158" 207.015970241864 207.004974365234 207.130523681641 41.826645 30.0872718 53.9081688 31865281.7221108 104038647.916353 7626851.5 7159071.4962137 1 16.1279060992664 2 "LCMSMS_1.mzML" 504 0.866525825510585 1067 291 288 42.5736636 207.014144897461 8.81740863331111 43.0297428 2 291 TRUE +"172" 214.06240374159 214.006088256836 214.089477539062 55.4140188 41.826645 69.154026 55859135.5808205 175270338.34633 6898645.5 10502955.6520861 1 14.3539712297571 2 "LCMSMS_1.mzML" 512 1 1137 375 372 53.1376686 214.064239501953 8.57581869001838 53.594496 2 375 TRUE +"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 "LCMSMS_2.mzML" 126 0.656097178055188 508 615 612 83.441172 218.13850402832 0.458536456564984 83.896776 1 615 TRUE +"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 "LCMSMS_2.mzML" 126 1 566 685 684 92.725812 218.138473510742 0.318636385945355 92.996412 1 685 TRUE +"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 "LCMSMS_2.mzML" 126 0.756767952399567 621 751 750 101.49993 218.138488769531 0.38858642125517 101.770446 1 751 TRUE +"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 "LCMSMS_1.mzML" 518 0.74813521899954 1337 615 612 83.64567 218.138366699219 0.0831858567062568 84.100632 2 615 TRUE +"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 "LCMSMS_1.mzML" 518 1 1395 685 684 92.927058 218.138458251953 0.336514392014067 93.19755 2 685 TRUE +"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 "LCMSMS_1.mzML" 518 0.75512635718691 1450 751 750 101.700294 218.13850402832 0.546364516374229 101.97081 2 751 TRUE +"182" 219.134537648256 219.133590698242 219.141830444336 84.215802 72.006432 95.067042 228560852.3732 549584698.602371 35684208 38358595.2669499 1 10.3205425760716 1 "LCMSMS_2.mzML" 128 0.974347865630473 494 598 594 81.162672 219.133682250977 3.90352560969656 81.707766 1 598 TRUE +"182" 219.134392971934 219.017486572266 219.141799926758 83.64567 72.171048 95.269182 237668711.346651 578769629.077717 38747760 40149538.2350155 1 10.6422119093857 2 "LCMSMS_1.mzML" 520 0.986868374160269 1324 599 594 81.344292 219.133697509766 3.17367875969659 81.98076 2 599 TRUE +"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 "LCMSMS_2.mzML" 138 1 234 286 282 41.6846646 227.113693237305 2.78152797684754 42.2166258 1 286 TRUE +"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 "LCMSMS_2.mzML" 138 0.881745288827023 295 359 354 50.6971758 227.113494873047 1.90811164188016 51.320388 1 359 TRUE +"199" 227.113064073098 227.063293457031 227.113784790039 47.0589156 34.9703976 59.2511508 429930708.544422 1629191183.47371 58695372 104890057.204444 1 28.1620799447139 2 "LCMSMS_1.mzML" 529 1 1064 287 282 41.826645 227.113677978516 2.70308280095101 42.453609 2 287 TRUE +"199" 227.113064073098 227.063293457031 227.113784790039 47.0589156 34.9703976 59.2511508 429930708.544422 1629191183.47371 58695372 104890057.204444 1 28.1620799447139 2 "LCMSMS_1.mzML" 529 0.880318719991587 1121 356 354 50.8435338 227.113540649414 2.09840996047408 51.189522 2 356 TRUE +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 "LCMSMS_2.mzML" 142 1 623 753 750 101.49993 229.154479980469 0.143197209237207 101.957028 1 753 TRUE +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 "LCMSMS_2.mzML" 142 0.881356832702374 655 791 786 106.37445 229.154418945312 0.123152220175066 107.01903 1 791 TRUE +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 "LCMSMS_2.mzML" 142 0.920867286893095 678 819 816 110.36505 229.154434204102 0.0565648628219979 110.821278 1 819 TRUE +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 "LCMSMS_2.mzML" 142 1 731 883 882 119.18757 229.154479980469 0.143197209237207 119.458086 1 883 TRUE +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 "LCMSMS_1.mzML" 533 1 1453 754 750 101.700294 229.154495239258 0.200610647606269 102.250902 2 754 TRUE +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 "LCMSMS_1.mzML" 533 0.89031814100289 1488 796 792 107.36631 229.154403686523 0.19891349284694 107.917278 2 796 TRUE +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 "LCMSMS_1.mzML" 533 0.90684767610572 1506 818 816 110.559792 229.154434204102 0.0657387793625367 110.923284 2 818 TRUE +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 "LCMSMS_1.mzML" 533 1 1560 883 882 119.375448 229.154479980469 0.134023290864068 119.646054 2 883 TRUE +"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 "LCMSMS_2.mzML" 143 0.486337768381168 695 839 834 112.786446 230.138534545898 7.26737937648595 113.433918 1 839 FALSE +"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 "LCMSMS_2.mzML" 143 0.565414375466082 751 907 906 122.344698 230.138412475586 7.79779652548532 122.615214 1 907 TRUE +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 "LCMSMS_1.mzML" 534 0.391807383300426 1523 838 834 112.983072 230.13850402832 7.3013350219424 113.533644 2 838 FALSE +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 "LCMSMS_1.mzML" 534 0.623212375972271 1572 897 894 120.962436 230.138442993164 7.56654362260474 121.505028 2 897 TRUE +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 "LCMSMS_1.mzML" 534 0.554670288641826 1575 901 900 121.840812 230.138442993164 7.56654362260474 122.111304 2 901 TRUE +"209" 231.169440223829 231.141708374023 231.170104980469 130.794318 118.391574 134.058318 148637539.112457 439297920.66514 27120750 38299876.1226009 1 30.3676899291214 1 "LCMSMS_2.mzML" 145 1 779 940 936 126.186204 231.169937133789 2.14954865844036 126.740928 1 940 TRUE +"209" 231.1694578533 231.141738891602 231.170074462891 131.148558 118.583076 134.305698 163151158.343899 484163165.256014 29294412 42055243.0047838 1 30.557814501113 2 "LCMSMS_1.mzML" 536 1 1608 940 936 126.441198 231.169860839844 1.74325167298274 126.99816 2 940 TRUE +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 "LCMSMS_2.mzML" 149 1 354 430 426 59.8657836 233.149276733398 0.304611521531101 60.41451 1 430 TRUE +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 "LCMSMS_2.mzML" 149 1 413 501 498 68.984166 233.149154663086 0.218960120613038 69.422898 1 501 TRUE +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 "LCMSMS_2.mzML" 149 1 471 571 570 78.035046 233.149139404297 0.284406575881055 78.305538 1 571 TRUE +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 "LCMSMS_2.mzML" 149 0.94350103628384 527 638 636 86.547678 233.149337768555 0.56639734260317 86.911908 1 638 TRUE +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 "LCMSMS_1.mzML" 540 1 1183 430 426 60.003786 233.149291992188 0.69018353444396 60.54639 2 430 TRUE +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 "LCMSMS_1.mzML" 540 1 1244 503 498 69.154026 233.14924621582 0.493844105786682 69.74364 2 503 TRUE +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 "LCMSMS_1.mzML" 540 1 1300 571 570 78.227304 233.149185180664 0.232058200910312 78.49779 2 571 TRUE +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 "LCMSMS_1.mzML" 540 0.926008456943044 1355 637 636 86.744814 233.14924621582 0.493844105786682 87.015312 2 637 TRUE +"234" 244.953385254716 244.896118164062 245.043228149414 40.9547952 28.2062742 52.9810356 16037222.3783712 64899256.6117073 3590265.25 4242185.37986366 1 12.6030181737188 1 "LCMSMS_2.mzML" 162 0.881349316806368 219 268 264 39.4231566 244.953887939453 2.05216489084812 39.972006 1 268 TRUE +"234" 244.953869913692 244.896194458008 245.030487060547 41.0984136 28.3160286 53.1376686 15496382.1927917 62791898.5729703 3460913.25 4097876.20121155 1 14.4994252113539 2 "LCMSMS_1.mzML" 553 0.923443194027494 1053 274 270 40.331784 244.953842163086 0.11328911160655 40.8834882 2 274 TRUE +"235" 245.07657810262 245.058502197266 245.113082885742 83.441172 71.233434 95.851296 130107908.671788 506813267.729398 28372734 33047728.9500919 1 24.1571487502111 1 "LCMSMS_2.mzML" 163 1 502 608 606 82.686066 245.076446533203 0.536850227266776 83.03208 1 608 TRUE +"235" 245.076612709839 245.045013427734 245.113418579102 83.64567 71.396808 96.141564 133327487.129729 519799854.462329 30575682 33749558.6230221 1 24.4576476339533 2 "LCMSMS_1.mzML" 554 1 1326 602 600 82.10931 245.076461791992 0.615798647494415 82.455288 2 602 TRUE +"238" 246.144917517526 246.144378662109 246.19221496582 56.048412 44.6336652 69.717042 148350049.60707 333143139.887778 13887742 21615823.5963323 1 10.4096882269271 1 "LCMSMS_2.mzML" 164 0.756803098694239 273 333 330 47.662548 246.14453125 1.56926874746986 48.1182612 1 333 TRUE +"238" 246.144952248507 246.144378662109 246.192169189453 56.1655458 44.7995376 69.864534 150762013.014634 333732277.248357 14014453 21754808.112732 1 10.2385155603447 2 "LCMSMS_1.mzML" 555 0.750716423305217 1102 333 330 47.814411 246.144577026367 1.52439502082907 48.2713692 2 333 TRUE +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 "LCMSMS_2.mzML" 165 0.821741670840677 269 328 324 46.926273 247.128524780273 0.0757397186380841 47.46063 1 328 TRUE +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 "LCMSMS_2.mzML" 165 0.938635147966783 314 382 378 53.7376638 247.128555297852 0.0477489633776442 54.289368 1 382 TRUE +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 "LCMSMS_2.mzML" 165 0.857111083112714 374 454 450 62.924034 247.128494262695 0.199228400653812 63.463008 1 454 TRUE +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 "LCMSMS_1.mzML" 556 0.814422484596901 1098 328 324 47.0589156 247.128570556641 0.0207233699446665 47.594502 2 328 TRUE +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 "LCMSMS_1.mzML" 556 0.888295194342072 1146 386 384 54.6427758 247.12841796875 0.638166699621889 55.007136 2 386 TRUE +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 "LCMSMS_1.mzML" 556 0.981696979641786 1209 461 456 63.848922 247.128540039062 0.144212035880111 64.478262 2 461 TRUE +"246" 249.094795122248 248.998840332031 249.108001708984 43.9150368 31.7040216 56.7980382 181288728.896844 694915682.737233 30663236 43807350.0510286 1 23.5096840518923 1 "LCMSMS_2.mzML" 167 0.974841450728785 238 291 288 42.4292958 249.095626831055 3.33892486946568 42.87426 1 291 TRUE +"246" 249.094786329156 248.99885559082 249.108108520508 44.0806488 31.850268 56.9384052 188342757.475762 722605329.15557 31173768 45742421.0002743 1 23.6562441549647 2 "LCMSMS_1.mzML" 558 0.972305308606495 1063 286 282 41.826645 249.095642089844 3.43548213316374 42.3608646 2 286 TRUE +"254" 253.152010413701 253.151672363281 253.179840087891 130.794318 119.18757 134.058318 26945261.0609135 75957155.4407699 5148614 7002890.33519098 1 23.4753344450044 1 "LCMSMS_2.mzML" 173 0.90027841033975 792 956 954 128.497464 253.151809692383 0.792888502700217 128.861796 1 956 TRUE +"254" 253.152005957588 253.151718139648 253.17985534668 131.148558 118.583076 134.305698 26724378.1672575 76291898.3275723 4978996.5 6914639.34797795 1 22.6485160038881 2 "LCMSMS_1.mzML" 564 0.937362849422515 1622 957 954 128.75019 253.151733398438 1.07666202029397 129.21015 2 957 TRUE +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.847235770572558 349 424 420 59.113914 260.160125732422 0.66079949927416 59.6453988 1 424 TRUE +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.924330695607273 383 465 462 64.427298 260.160003662109 0.19158696018755 64.867014 1 465 TRUE +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.914064038327345 407 494 492 68.244408 260.160034179688 0.308890094959202 68.608668 1 494 TRUE +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.841126437434894 441 535 534 73.529172 260.160125732422 0.66079949927416 73.799652 1 535 TRUE +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.55749869514057 468 567 564 77.267322 260.160034179688 0.308890094959202 77.726148 1 567 TRUE +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.946893122380285 496 601 600 81.93093 260.160095214844 0.543496364502507 82.20144 1 601 TRUE +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.821830289582688 1163 406 402 56.9384052 260.16015625 0.840402113981948 57.4883808 2 406 TRUE +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.851588855173982 1178 424 420 59.2511508 260.160125732422 0.723098971902377 59.783622 2 424 TRUE +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.933128174347517 1222 477 474 66.147648 260.160064697266 0.488492687743234 66.587394 2 477 TRUE +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.903572450801527 1238 496 492 68.393532 260.160064697266 0.488492687743234 68.940384 2 496 TRUE +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.690560642146632 1282 549 546 75.21942 260.160034179688 0.371189545663663 75.659004 2 549 TRUE +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.546970369281507 1296 566 564 77.474424 260.159973144531 0.136583261504521 77.83902 2 566 TRUE +"278" 263.194464580713 263.105407714844 263.196166992188 74.297424 62.924034 85.770306 119933218.572382 405163218.56135 25959554 28271834.5936298 1 18.3735788635792 1 "LCMSMS_2.mzML" 187 1 420 509 504 69.717042 263.196014404297 5.88851131945123 70.340268 1 509 TRUE +"278" 263.194591006946 263.105438232422 263.196136474609 74.45592 63.078168 85.969068 127296971.737416 432940127.545569 27733744 30178065.3075823 1 18.474001566198 2 "LCMSMS_1.mzML" 577 1 1248 508 504 69.864534 263.196075439453 5.64005704320773 70.412256 2 508 TRUE +"282" 265.07194783613 264.972778320312 265.121490478516 46.161033 33.2788968 58.3416642 56738949.5438045 211537347.775767 8726244 13582517.3423529 1 21.9005220232964 1 "LCMSMS_2.mzML" 190 0.556694264486346 230 281 276 40.9547952 265.069580078125 8.93251068163562 41.5643712 1 281 TRUE +"282" 265.072207618208 264.972686767578 265.121154785156 46.2952926 33.428391 58.478901 59594262.5213418 221974116.830665 8799412 14289335.2723432 1 21.4444932304386 2 "LCMSMS_1.mzML" 580 0.586735229915088 1059 281 276 41.0984136 265.069671630859 9.56715670741146 41.706231 2 281 TRUE +"298" 268.997725920593 268.950439453125 269.039093017578 42.4292958 29.960895 53.7376638 53634416.7438183 215675430.907926 13946139 14247890.3566914 1 23.810466331062 1 "LCMSMS_2.mzML" 193 1 229 280 276 40.9547952 268.998260498047 1.98729358071083 41.4698838 1 280 TRUE +"298" 268.99755266196 268.950531005859 269.018218994141 42.5736636 30.0872718 53.9081688 51889370.7166119 208230251.154206 13217159 13748008.6520212 1 24.9127538007046 2 "LCMSMS_1.mzML" 583 0.916804554552295 1052 273 270 40.331784 268.998291015625 2.74483413429186 40.7897508 2 273 TRUE +"301" 271.074857250183 270.95654296875 271.103546142578 43.1829192 30.8096568 55.2769038 64515333.1129028 239868774.915776 13621015 15987233.2560677 1 19.7508246169866 1 "LCMSMS_2.mzML" 196 0.473881896281215 283 345 342 49.182402 271.077117919922 8.33965112754828 49.625877 1 345 FALSE +"301" 271.075417555327 270.95654296875 271.103546142578 43.3414116 31.850268 55.4140188 65084413.3775139 243452484.630011 13276881 16318497.2580106 1 19.9808033411058 2 "LCMSMS_1.mzML" 586 0.464383913270215 1111 344 342 49.3156656 271.077239990234 6.72298109366911 49.6800036 2 344 FALSE +"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 "LCMSMS_2.mzML" 197 1 298 363 360 51.4450368 272.171234130859 1.68120319899846 51.9020142 1 363 TRUE +"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 "LCMSMS_2.mzML" 197 1 357 434 432 60.634806 272.171203613281 1.56907661982964 60.991638 1 434 TRUE +"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 "LCMSMS_1.mzML" 587 1 1122 357 354 50.8435338 272.171264648438 1.80054914060759 51.2832498 2 357 TRUE +"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 "LCMSMS_1.mzML" 587 1 1182 429 426 60.003786 272.171234130859 1.68842256062929 60.452634 2 429 TRUE +"306" 274.175657429697 274.139251708984 274.186462402344 93.504684 82.686066 106.37445 46485062.873091 155509508.589415 5996150.5 10323698.473723 1 18.1961330730785 1 "LCMSMS_2.mzML" 200 1 550 665 660 89.6403 274.175598144531 0.216230596064992 90.289284 1 665 TRUE +"306" 274.175657429697 274.139251708984 274.186462402344 93.504684 82.686066 106.37445 46485062.873091 155509508.589415 5996150.5 10323698.473723 1 18.1961330730785 1 "LCMSMS_2.mzML" 200 1 607 734 732 99.103422 274.175750732422 0.340302730253833 99.467778 1 734 TRUE +"306" 274.175695323971 274.138824462891 274.237060546875 93.704046 82.86993 106.573314 47001277.2715991 156764462.076571 5875322 10450699.6794718 1 17.8387881927618 2 "LCMSMS_1.mzML" 590 1 1378 664 660 89.831544 274.175689697266 0.0205222623825999 90.383274 2 664 TRUE +"306" 274.175695323971 274.138824462891 274.237060546875 93.704046 82.86993 106.573314 47001277.2715991 156764462.076571 5875322 10450699.6794718 1 17.8387881927618 2 "LCMSMS_1.mzML" 590 1 1435 733 732 99.309546 274.175811767578 0.424704337136951 99.580056 2 733 TRUE +"311" 277.102858679325 277.067169189453 277.179595947266 34.0415226 21.199029 46.161033 145469607.640438 586781142.338738 35585992 36637018.0603241 1 25.30055717014 1 "LCMSMS_2.mzML" 203 0.965585674421809 164 202 198 30.8096568 277.102722167969 0.492637848722549 31.446861 1 202 TRUE +"311" 277.102718525598 277.066925048828 277.179565429688 34.9703976 21.262644 46.2952926 154311114.038569 624608301.510316 39081676 39036937.6446583 1 25.609683649148 2 "LCMSMS_1.mzML" 593 0.974484398953352 994 203 198 30.952131 277.102691650391 0.0969864432466537 31.68024 2 203 TRUE +"311" 277.102718525598 277.066925048828 277.179565429688 34.9703976 21.262644 46.2952926 154311114.038569 624608301.510316 39081676 39036937.6446583 1 25.609683649148 2 "LCMSMS_1.mzML" 593 1 998 208 204 31.850268 277.102661132812 0.207117366131053 32.40411 2 208 TRUE +"313" 279.103270568746 279.096771240234 279.137176513672 63.683916 49.9356528 76.520544 53051360.1208322 168982326.555012 10309156 10317859.4783169 1 16.3880204600579 1 "LCMSMS_2.mzML" 205 0.932463457686767 367 446 444 62.153292 279.100494384766 9.94679845538537 62.517522 1 446 TRUE +"315" 280.048703311343 280.047973632812 280.049285888672 70.461672 58.3416642 82.686066 17916185.611229 71653387.2778775 4228704 4780699.57093132 1 14.9802846911842 1 "LCMSMS_2.mzML" 206 0.958445527217673 433 525 522 72.006432 280.048767089844 0.227740748164162 72.465522 1 525 TRUE +"315" 280.048708274226 280.040130615234 280.048828125 70.627524 58.478901 82.86993 18771009.8164162 75191218.2698408 4342784.5 5011879.8420823 1 14.1923816087802 2 "LCMSMS_1.mzML" 596 1 1254 515 510 70.627524 280.048767089844 0.21001924459186 71.27514 2 515 TRUE +"320" 281.15252384442 281.152374267578 281.174072265625 75.040038 62.924034 87.323322 14877316.1398348 60199843.0812096 3414390 3998688.59012118 1 20.1741281646815 1 "LCMSMS_2.mzML" 210 0.637453324904029 453 549 546 75.040038 281.152435302734 0.314924027932607 75.479766 1 549 TRUE +"320" 281.152589677454 281.152191162109 281.247344970703 75.21942 63.078168 87.51981 14853465.643065 59992866.9907002 3424272.25 3981827.62534965 1 20.6264003919726 2 "LCMSMS_1.mzML" 600 0.620907418370238 1283 550 546 75.21942 281.152526855469 0.223444446909704 75.752772 2 550 TRUE +"329" 285.083759240311 285.082397460938 285.178070068359 83.441172 71.233434 95.851296 390490237.708939 1529715401.18675 44184352 97909689.0812682 1 30.959424539331 1 "LCMSMS_2.mzML" 215 1 475 575 570 78.035046 285.082427978516 4.66972162369016 78.680652 1 575 TRUE +"329" 285.083691713531 285.082397460938 285.178131103516 83.64567 71.396808 96.932814 403482136.295202 1573070556.39993 45329896 100025963.808078 1 30.6434819028738 2 "LCMSMS_1.mzML" 604 1 1304 575 570 78.227304 285.082458496094 4.32580843206702 78.872766 2 575 TRUE +"329" 285.083691713531 285.082397460938 285.178131103516 83.64567 71.396808 96.932814 403482136.295202 1573070556.39993 45329896 100025963.808078 1 30.6434819028738 2 "LCMSMS_1.mzML" 604 1 1360 643 642 87.51981 285.08251953125 4.11171285934892 87.790416 2 643 TRUE +"332" 287.052049791825 286.954528808594 287.134643554688 43.1829192 32.492523 54.5086626 26752158.9251992 72095538.7563538 5547312 5178418.18928124 1 10.214758777309 1 "LCMSMS_2.mzML" 218 0.954730218466491 257 314 312 45.3966672 287.051239013672 2.82449873970901 45.7610238 1 314 TRUE +"346" 292.194651731624 292.051391601562 292.197937011719 44.7995376 32.6425146 56.9384052 170266092.005698 698188745.37295 49955152 46318764.2981038 1 24.0331437137171 2 "LCMSMS_1.mzML" 613 1 1079 305 300 44.0806488 292.197509765625 9.78126732989025 44.6793558 2 305 TRUE +"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 "LCMSMS_2.mzML" 227 1 515 623 618 84.215802 294.154174804688 0.638234700161588 84.862908 1 623 TRUE +"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 "LCMSMS_2.mzML" 227 1 571 691 690 93.504684 294.154296875 0.223247441620917 93.775182 1 691 TRUE +"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 "LCMSMS_2.mzML" 227 0.833165267819786 630 761 756 102.298554 294.154266357422 0.326994256256085 102.94539 1 761 TRUE +"350" 294.144197247402 294.141693115234 294.144409179688 126.956946 114.406068 134.058318 74791859.4829492 276332748.642061 13587920 19443171.1005083 1 20.4361509926574 1 "LCMSMS_2.mzML" 226 1 760 917 912 123.12582 294.144256591797 0.201752728809333 123.772038 1 917 TRUE +"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 "LCMSMS_1.mzML" 616 1 1343 622 618 84.41529 294.154235839844 0.475188001900272 84.967014 2 622 TRUE +"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 "LCMSMS_1.mzML" 616 1 1400 691 690 93.704046 294.154266357422 0.371441191876333 93.974586 2 691 TRUE +"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 "LCMSMS_1.mzML" 616 0.850497451092607 1456 758 756 102.499182 294.154327392578 0.163947571828457 102.863394 2 758 TRUE +"350" 294.144151612685 294.141845703125 294.144378662109 127.214454 114.599184 134.305698 74643069.3176933 277438125.15485 13432314 19392950.4202136 1 20.1202530214394 2 "LCMSMS_1.mzML" 615 1 1588 916 912 123.399822 294.144195556641 0.149395984903466 123.951648 2 916 TRUE +"353" 295.128370886131 295.095062255859 295.157745361328 76.520544 65.179668 86.547678 81211019.0210362 223762643.2396 19743780 16372542.5660009 1 12.7579145898773 1 "LCMSMS_2.mzML" 229 1 460 557 552 75.78993 295.128387451172 0.056128254887318 76.39776 1 557 TRUE +"353" 295.128482680347 295.095001220703 295.163787841797 76.72203 65.376156 87.51981 84731667.8795457 232979062.8185 19277230 17069801.5923534 1 13.1325072983287 2 "LCMSMS_1.mzML" 618 1 1293 562 558 76.72203 295.128326416016 0.529478992923054 77.255502 2 562 TRUE +"354" 296.065756003644 296.008972167969 296.121368408203 42.4292958 30.8096568 55.2769038 391538527.175353 1575613858.53607 103989304 103657911.628982 1 27.6290229577621 1 "LCMSMS_2.mzML" 230 0.991074617443331 220 269 264 39.4231566 296.065826416016 0.237826802219376 40.0657608 1 269 TRUE +"354" 296.065756003644 296.008972167969 296.121368408203 42.4292958 30.8096568 55.2769038 391538527.175353 1575613858.53607 103989304 103657911.628982 1 27.6290229577621 1 "LCMSMS_2.mzML" 230 0.917156248384445 276 337 336 48.4095336 296.065551757812 0.689866446849321 48.6800628 1 337 TRUE +"354" 296.065834822195 296.009124755859 296.121368408203 43.3414116 30.952131 55.4140188 384417799.756323 1544080053.52523 103542944 101820793.773478 1 28.1168637764671 2 "LCMSMS_1.mzML" 619 0.977842864059801 1048 268 264 39.5655336 296.065826416016 0.0283929406896426 40.1152386 2 268 TRUE +"354" 296.065834822195 296.009124755859 296.121368408203 43.3414116 30.952131 55.4140188 384417799.756323 1544080053.52523 103542944 101820793.773478 1 28.1168637764671 2 "LCMSMS_1.mzML" 619 0.86254202820422 1106 338 336 48.5632728 296.065582275391 0.853008942554973 48.927525 2 338 TRUE +"369" 302.170645577843 302.17041015625 302.170806884766 88.866054 73.529172 103.100934 42005813.0978138 124570099.437831 2161985 6865011.89456032 1 16.422059216192 1 "LCMSMS_2.mzML" 237 1 538 651 648 88.089936 302.170684814453 0.129849178397445 88.55001 1 651 TRUE +"369" 302.170645577843 302.17041015625 302.170806884766 88.866054 73.529172 103.100934 42005813.0978138 124570099.437831 2161985 6865011.89456032 1 16.422059216192 1 "LCMSMS_2.mzML" 237 1 595 719 714 96.726306 302.170715332031 0.230843694481696 97.37202 1 719 TRUE +"369" 302.170639215688 302.170471191406 302.170837402344 89.058666 73.692786 103.302792 44152740.1129039 130516847.797182 2228511.75 7158259.96539078 1 15.7724652331788 2 "LCMSMS_1.mzML" 626 1 1373 658 654 89.058666 302.170593261719 0.152079531417791 89.615262 2 658 TRUE +"369" 302.170639215688 302.170471191406 302.170837402344 89.058666 73.692786 103.302792 44152740.1129039 130516847.797182 2228511.75 7158259.96539078 1 15.7724652331788 2 "LCMSMS_1.mzML" 626 1 1432 729 726 98.516814 302.170745849609 0.352893059635583 98.97489 2 729 TRUE +"373" 303.165091499144 303.094573974609 303.165954589844 61.39704 48.4095336 73.529172 103807848.197766 329970229.504778 12737476 21188246.1034765 1 14.4351907808117 1 "LCMSMS_2.mzML" 239 1 345 419 414 58.3416642 303.165832519531 2.44428005641968 58.986255 1 419 TRUE +"373" 303.165091499144 303.094573974609 303.165954589844 61.39704 48.4095336 73.529172 103807848.197766 329970229.504778 12737476 21188246.1034765 1 14.4351907808117 1 "LCMSMS_2.mzML" 239 1 403 489 486 67.47903 303.165802001953 2.34361682380905 67.937004 1 489 TRUE +"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 "LCMSMS_2.mzML" 238 0.432061153193625 640 773 768 103.89993 303.094818115234 5.15147063834845 104.546778 1 773 FALSE +"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 "LCMSMS_2.mzML" 238 0.462196855804655 642 776 774 104.697678 303.094818115234 5.15147063834845 105.06204 1 776 FALSE +"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 "LCMSMS_2.mzML" 238 0.501917688567097 647 782 780 105.491046 303.0947265625 4.84940936730615 105.940902 1 782 TRUE +"373" 303.165173950139 303.094573974609 303.165924072266 61.541034 48.5632728 73.692786 105516077.576669 335184775.802581 13435952 21538205.1865512 1 15.5391777232997 2 "LCMSMS_1.mzML" 628 1 1176 422 420 59.2511508 303.165893554688 2.37363856485134 59.6153886 2 422 TRUE +"373" 303.0935043503 302.960144042969 303.131256103516 106.573314 92.927058 120.16695 19249352.6008139 61208306.3768512 3236424.5 3692449.07508445 1 13.9921603600895 2 "LCMSMS_1.mzML" 627 0.471553873057289 1474 779 774 104.89992 303.094757080078 4.13314623929914 105.544524 2 779 FALSE +"379" 306.165343359271 306.06103515625 306.213012695312 60.634806 46.161033 72.774312 36600545.6318729 108090728.78972 4446653 6816835.56164917 1 12.4462615141952 1 "LCMSMS_2.mzML" 240 1 373 453 450 62.924034 306.165435791016 0.301901395845472 63.36927 1 453 TRUE +"379" 306.165842675626 306.061004638672 306.213134765625 60.766158 46.2952926 72.943668 37548935.0549396 109642616.014956 4414727.5 6871656.61167438 1 12.0218953801312 2 "LCMSMS_1.mzML" 629 1 1188 436 432 60.766158 306.165435791016 1.32896801008782 61.320012 2 436 TRUE +"381" 307.065221870812 307.064056396484 307.169128417969 83.441172 71.233434 95.851296 78574866.5101825 293271085.609162 9362117 19081528.0813003 1 23.4910219491376 1 "LCMSMS_2.mzML" 242 1 495 599 594 81.162672 307.064361572266 2.80168018140163 81.801528 1 599 TRUE +"381" 307.065169833815 307.063385009766 307.169067382812 84.41529 72.171048 96.932814 78681676.5042767 294895222.314072 9072029 19080166.5155122 1 22.897889728418 2 "LCMSMS_1.mzML" 631 1 1322 597 594 81.344292 307.064361572266 2.63221501147223 81.801648 2 597 TRUE +"390" 310.136154574354 310.094848632812 310.139251708984 64.427298 52.214286 76.520544 44104606.2705919 144052622.377804 7909532.5 9388008.67555042 1 14.59502153435 1 "LCMSMS_2.mzML" 248 0.94388036072062 365 443 438 61.39704 310.139099121094 9.49436786473756 62.027772 1 443 TRUE +"390" 310.173263964048 310.150390625 310.175689697266 99.89805 87.323322 111.9768 25173738.5677415 93624006.971868 4346344 6025361.77354898 1 21.558563485774 1 "LCMSMS_2.mzML" 249 1 600 725 720 97.518552 310.173309326172 0.146247692671587 98.164152 1 725 TRUE +"390" 310.173266651277 310.150115966797 310.175750732422 100.10529 87.51981 112.174302 24630837.8835849 91209841.2668348 4351755.5 5878351.8717454 1 20.1803526416102 2 "LCMSMS_1.mzML" 638 1 1429 725 720 97.724058 310.173309326172 0.137584052624711 98.36952 2 725 TRUE +"391" 311.123379951208 311.123016357422 311.142364501953 60.634806 46.926273 72.774312 98444541.2409738 348975443.909799 14418379 21226552.2742303 1 23.1925416502974 1 "LCMSMS_2.mzML" 250 1 313 381 378 53.7376638 311.123199462891 0.580118141553539 54.1956378 1 381 TRUE +"391" 311.123379951208 311.123016357422 311.142364501953 60.634806 46.926273 72.774312 98444541.2409738 348975443.909799 14418379 21226552.2742303 1 23.1925416502974 1 "LCMSMS_2.mzML" 250 0.91523007796229 372 452 450 62.924034 311.123229980469 0.482029794320406 63.275268 1 452 TRUE +"391" 311.123400403986 311.123168945312 311.154296875 60.766158 47.0589156 72.943668 99065306.7108134 349788861.441224 15152226 21428403.8316678 1 22.758429819726 2 "LCMSMS_1.mzML" 639 1 1153 394 390 55.4140188 311.123321533203 0.253503216085366 55.946496 2 394 TRUE +"391" 311.123400403986 311.123168945312 311.154296875 60.766158 47.0589156 72.943668 99065306.7108134 349788861.441224 15152226 21428403.8316678 1 22.758429819726 2 "LCMSMS_1.mzML" 639 0.916979906668476 1211 464 462 64.605414 311.123321533203 0.253503216085366 64.969764 2 464 TRUE +"397" 313.174482616203 313.113555908203 313.176605224609 70.461672 58.3416642 82.686066 76735438.3950883 296085627.94992 14535441 19468804.5122119 1 27.9940860674876 1 "LCMSMS_2.mzML" 253 1 414 502 498 68.984166 313.175231933594 2.39265148591576 69.505398 1 502 TRUE +"397" 313.174538907599 313.114074707031 313.176544189453 70.627524 58.478901 82.86993 78807612.8969526 304563676.558895 14610366 20027259.4823964 1 27.9435164712427 2 "LCMSMS_1.mzML" 642 1 1245 505 504 69.864534 313.175262451172 2.3103524816173 70.135176 2 505 TRUE +"407" 317.178762768594 317.101623535156 317.181671142578 69.154026 56.1655458 82.86993 59705672.8641921 143145768.151474 6425961.5 8610200.94271831 1 10.1578079460769 2 "LCMSMS_1.mzML" 646 1 1227 483 480 66.865908 317.181549072266 8.78464764455319 67.324002 2 483 TRUE +"407" 317.178762768594 317.101623535156 317.181671142578 69.154026 56.1655458 82.86993 59705672.8641921 143145768.151474 6425961.5 8610200.94271831 1 10.1578079460769 2 "LCMSMS_1.mzML" 646 0.964231982573396 1312 585 582 79.776168 317.181579589844 8.88086334909349 80.235144 2 585 TRUE +"415" 320.180476490627 320.092437744141 320.181243896484 62.924034 50.6971758 75.78993 88694492.5766606 254051206.869469 8591997 16485122.5970052 1 11.0208834722209 1 "LCMSMS_2.mzML" 260 1 376 457 456 63.683916 320.181091308594 1.92022316279576 63.954426 1 457 TRUE +"415" 320.180476490627 320.092437744141 320.181243896484 62.924034 50.6971758 75.78993 88694492.5766606 254051206.869469 8591997 16485122.5970052 1 11.0208834722209 1 "LCMSMS_2.mzML" 260 0.984477522818426 431 523 522 72.006432 320.181030273438 1.72959581125021 72.277038 1 523 TRUE +"415" 320.180703349782 320.092681884766 320.181243896484 63.078168 50.8435338 75.972048 90433506.8265123 259008963.055609 8997821 16789150.1953663 1 11.0853747953043 2 "LCMSMS_1.mzML" 649 1 1205 457 456 63.848922 320.181121826172 1.3070006582982 64.119528 2 457 TRUE +"415" 320.180703349782 320.092681884766 320.181243896484 63.078168 50.8435338 75.972048 90433506.8265123 259008963.055609 8997821 16789150.1953663 1 11.0853747953043 2 "LCMSMS_1.mzML" 649 0.976040118953191 1260 523 522 72.171048 320.181060791016 1.11637344181876 72.44154 2 523 TRUE +"423" 323.038522617119 323.022125244141 323.132904052734 83.441172 71.233434 96.726306 87743819.4793446 342421900.463912 10586290 21986067.5449416 1 28.0424948973467 1 "LCMSMS_2.mzML" 263 1 492 596 594 81.162672 323.038360595703 0.501554472309746 81.527142 1 596 TRUE +"423" 323.038732142937 323.022186279297 323.132293701172 84.41529 72.171048 96.932814 89310519.3655104 347527122.585686 10342424 22259553.9386873 1 28.5452527322577 2 "LCMSMS_1.mzML" 652 1 1317 591 588 80.555406 323.038360595703 1.1501631131821 81.046518 2 591 TRUE +"423" 323.038732142937 323.022186279297 323.132293701172 84.41529 72.171048 96.932814 89310519.3655104 347527122.585686 10342424 22259553.9386873 1 28.5452527322577 2 "LCMSMS_1.mzML" 652 0.851477476454502 1377 663 660 89.831544 323.038269042969 1.43357412636825 90.289524 2 663 TRUE +"429" 326.147406045903 326.122863769531 326.168548583984 97.724058 82.86993 111.361812 56772818.9351875 165182833.310301 7287107.5 9586008.12852117 1 11.45928592514 2 "LCMSMS_1.mzML" 655 0.856518287935059 1460 763 762 103.302792 326.147247314453 0.486686224002945 103.573326 2 763 TRUE +"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 "LCMSMS_2.mzML" 273 0.899207292832854 332 404 402 56.7980382 332.181243896484 0.272975971635208 57.1632618 1 404 TRUE +"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 "LCMSMS_2.mzML" 273 0.935320554200291 393 477 474 65.949288 332.181060791016 0.824197397079887 66.40827 1 477 TRUE +"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 "LCMSMS_2.mzML" 273 1 478 579 576 78.808182 332.181030273438 0.916067634654 79.266258 1 579 TRUE +"443" 332.100298973136 332.0048828125 332.145355224609 127.720194 116.011194 134.058318 12861757.0433362 37362918.2197274 2113320.25 2865031.21485027 1 11.8140956289705 1 "LCMSMS_2.mzML" 272 1 777 938 936 126.186204 332.100189208984 0.330515065468827 126.551424 1 938 TRUE +"443" 332.18141273421 332.180999755859 332.192352294922 66.147648 52.3652958 82.86993 82815454.0616744 225287287.752257 4308527.5 11640149.938544 1 11.7951907118157 2 "LCMSMS_1.mzML" 662 0.921615672723452 1167 411 408 57.7060356 332.181213378906 0.600139852390469 58.1661168 2 411 TRUE +"443" 332.18141273421 332.180999755859 332.192352294922 66.147648 52.3652958 82.86993 82815454.0616744 225287287.752257 4308527.5 11640149.938544 1 11.7951907118157 2 "LCMSMS_1.mzML" 662 1 1307 579 576 78.998916 332.181121826172 0.875750500263337 79.457892 2 579 TRUE +"443" 332.10021472848 332.005249023438 332.144866943359 127.98057 116.198436 134.305698 12858246.6560856 37708457.8359112 2148441.75 2868791.0639978 1 12.2962127049817 2 "LCMSMS_1.mzML" 661 0.894705509786563 1601 932 930 125.668188 332.100311279297 0.290727957089558 126.03354 2 932 TRUE +"450" 334.138365714283 334.087738037109 334.143218994141 121.56708 108.763806 133.260468 36189941.2705567 141496113.925003 7646763.5 9001348.88293299 1 14.5492638171377 1 "LCMSMS_2.mzML" 275 1 730 881 876 118.391574 334.139282226562 2.74291243987516 119.039922 1 881 TRUE +"450" 334.138365714283 334.087738037109 334.143218994141 121.56708 108.763806 133.260468 36189941.2705567 141496113.925003 7646763.5 9001348.88293299 1 14.5492638171377 1 "LCMSMS_2.mzML" 275 1 744 898 894 120.773958 334.139251708984 2.65158028153481 121.326684 1 898 TRUE +"450" 334.138065762092 334.087768554688 334.143005371094 121.840812 108.961812 134.305698 35583305.2137211 138618399.283178 7802867 8799870.266109 1 14.6514086177019 2 "LCMSMS_1.mzML" 664 1 1558 880 876 118.583076 334.139343261719 3.82326875511859 119.135658 2 880 TRUE +"450" 334.138065762092 334.087768554688 334.143005371094 121.840812 108.961812 134.305698 35583305.2137211 138618399.283178 7802867 8799870.266109 1 14.6514086177019 2 "LCMSMS_1.mzML" 664 1 1574 899 894 120.962436 334.139221191406 3.45793979380559 121.693536 2 899 TRUE +"451" 335.071702758472 334.959289550781 335.127868652344 37.1197878 23.8289076 52.214286 59047325.8093013 199835648.999696 21831216 11703942.4017095 1 16.4685768965563 1 "LCMSMS_2.mzML" 276 0.621537115066523 203 249 246 37.1197878 335.073364257812 4.95863818582275 37.5783708 1 249 TRUE +"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 "LCMSMS_2.mzML" 290 1 346 421 420 59.113914 347.192047119141 0.317974525834864 59.384421 1 421 TRUE +"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 "LCMSMS_2.mzML" 290 1 401 487 486 67.47903 347.192077636719 0.40587281752108 67.749528 1 487 TRUE +"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 "LCMSMS_2.mzML" 290 1 456 553 552 75.78993 347.19189453125 0.121516932596212 76.060428 1 553 TRUE +"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 "LCMSMS_2.mzML" 290 1 511 619 618 84.215802 347.192138671875 0.58166940089351 84.486318 1 619 TRUE +"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 "LCMSMS_1.mzML" 680 1 1180 427 426 60.003786 347.192016601562 0.33489439733978 60.27441 2 427 TRUE +"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 "LCMSMS_1.mzML" 680 1 1235 493 492 68.393532 347.191955566406 0.159097795540679 68.66418 2 493 TRUE +"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 "LCMSMS_1.mzML" 680 1 1291 560 558 76.72203 347.192016601562 0.33489439733978 77.087274 2 560 TRUE +"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 "LCMSMS_1.mzML" 680 1 1350 631 630 85.969068 347.192047119141 0.422792698239331 86.239548 2 631 TRUE +"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 "LCMSMS_2.mzML" 296 0.975884616575299 612 740 738 99.89805 352.062774658203 1.42366825689262 100.263402 1 740 TRUE +"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 "LCMSMS_2.mzML" 296 1 666 805 804 108.763806 352.062713623047 1.59703242302873 109.034436 1 805 TRUE +"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 "LCMSMS_2.mzML" 296 1 722 872 870 117.599064 352.062683105469 1.68371450609679 117.964428 1 872 TRUE +"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 "LCMSMS_1.mzML" 686 1 1437 735 732 99.309546 352.062805175781 0.168675988963446 99.76851 2 735 TRUE +"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 "LCMSMS_1.mzML" 686 1 1491 800 798 108.159936 352.062713623047 0.0913706517830443 108.52554 2 800 TRUE +"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 "LCMSMS_1.mzML" 686 1 1546 866 864 116.993448 352.062805175781 0.168675988963446 117.358662 2 866 TRUE +"513" 361.138129803043 360.993988037109 361.142669677734 70.627524 58.478901 82.10931 24333693.6193136 93371898.8980818 4500519.5 6277266.26403401 1 20.9450523373 2 "LCMSMS_1.mzML" 693 0.592554159471957 1253 514 510 70.627524 361.138793945312 1.83902560996564 71.181378 2 514 TRUE +"515" 362.191525584631 362.191345214844 362.19189453125 64.427298 51.4450368 78.808182 46335006.8213046 151295737.520802 4757333.5 8809476.27512898 1 14.0444009128188 1 "LCMSMS_2.mzML" 304 1 368 447 444 62.153292 362.191528320312 0.00755313504619498 62.61225 1 447 TRUE +"515" 362.191552337749 362.191314697266 362.191864013672 64.605414 51.5947758 79.776168 48061018.4866142 153926579.58099 4969405 8914278.88187661 1 14.1470112033174 2 "LCMSMS_1.mzML" 694 1 1189 437 432 60.766158 362.191558837891 0.0179466965002571 61.414758 2 437 TRUE +"518" 363.156167686281 363.154113769531 363.196746826172 69.717042 57.5697876 81.93093 107110160.13601 424241970.342704 28697960 28264027.3015988 1 22.6592311574667 1 "LCMSMS_2.mzML" 306 1 417 506 504 69.717042 363.154388427734 4.89943089081096 70.063068 1 506 TRUE +"518" 363.156117037576 363.154357910156 363.1962890625 69.864534 57.7060356 82.10931 111988706.238804 451567587.495305 28960230 29894834.9664104 1 22.7744272591357 2 "LCMSMS_1.mzML" 696 1 1243 502 498 69.154026 363.154418945312 4.67592912327222 69.668256 2 502 TRUE +"537" 369.150928816373 369.088226318359 369.153656005859 118.583076 107.36631 131.148558 19157121.0997677 56944430.7037858 3194004.25 3808722.83258924 1 10.0398908680149 2 "LCMSMS_1.mzML" 703 1 1538 856 852 115.397934 369.153167724609 6.06502127254726 115.95165 2 856 TRUE +"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 "LCMSMS_2.mzML" 317 1 267 326 324 46.926273 375.186950683594 1.44358584495239 47.2915098 1 326 TRUE +"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 "LCMSMS_2.mzML" 317 0.765929060507093 326 397 396 56.048412 375.186920166016 1.52492538518601 56.3190228 1 397 TRUE +"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 "LCMSMS_2.mzML" 317 0.948751823525466 381 463 462 64.427298 375.186798095703 1.85028354612048 64.697934 1 463 TRUE +"551" 375.187492298947 375.064788818359 375.223785400391 51.4450368 38.6530368 73.529172 53175423.9183204 115596409.382903 4443705 5830687.08562637 1 10.0179347091885 1 "LCMSMS_2.mzML" 317 0.695748300364848 436 529 528 72.774312 375.186767578125 1.93162308635409 73.044798 1 529 TRUE +"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 "LCMSMS_1.mzML" 708 0.983298338983326 1088 316 312 45.5280288 375.187103271484 2.97200435907341 46.0807512 2 316 TRUE +"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 "LCMSMS_1.mzML" 708 0.660291517393232 1145 385 384 54.6427758 375.186859130859 3.62271942172933 54.9133998 2 385 TRUE +"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 "LCMSMS_1.mzML" 708 0.888797365712394 1200 451 450 63.078168 375.186920166016 3.46004065606535 63.348642 2 451 TRUE +"551" 375.188218332505 375.064636230469 375.223968505859 51.5947758 38.7940218 73.692786 56491751.1600911 123620004.966245 5121605 6323941.49241146 1 10.3004146082226 2 "LCMSMS_1.mzML" 708 0.897915524033724 1255 517 516 71.396808 375.186706542969 4.02941633588928 71.667294 2 517 TRUE +"596" 394.162103579203 394.15576171875 394.171966552734 111.9768 99.89805 126.186204 7132566.77370145 23666256.0487011 714096.8125 1434361.60276091 1 10.9843537663043 1 "LCMSMS_2.mzML" 332 1 674 814 810 109.560936 394.160400390625 4.32103584366033 110.114664 1 814 TRUE +"596" 394.162101728829 394.15673828125 394.171905517578 112.983072 100.10529 126.441198 7140491.11313641 24008744.883055 729593.5625 1467502.10704 1 11.0946723612577 2 "LCMSMS_1.mzML" 721 0.947368619335833 1502 813 810 109.75707 394.160461425781 4.16149355832808 110.216034 2 813 TRUE +"612" 401.061711739436 401.060150146484 401.225036621094 34.0415226 21.199029 46.161033 101156427.915091 413004256.21647 29748028 26144805.5252244 1 22.8394097234212 1 "LCMSMS_2.mzML" 335 1 180 221 216 33.2788968 401.060302734375 3.51318767064353 33.9100062 1 221 TRUE +"612" 401.061711739436 401.060150146484 401.225036621094 34.0415226 21.199029 46.161033 101156427.915091 413004256.21647 29748028 26144805.5252244 1 22.8394097234212 1 "LCMSMS_2.mzML" 335 1 184 226 222 34.0415226 401.060333251953 3.4370956946914 34.5973668 1 226 TRUE +"612" 401.06209630001 401.060333251953 401.225616455078 34.1913918 21.262644 46.2952926 108157257.188431 441551976.536895 32990036 27879100.4343351 1 22.8684389866417 2 "LCMSMS_1.mzML" 725 1 1009 221 216 33.428391 401.060333251953 4.39594784208767 34.059738 2 221 TRUE +"612" 401.06209630001 401.060333251953 401.225616455078 34.1913918 21.262644 46.2952926 108157257.188431 441551976.536895 32990036 27879100.4343351 1 22.8684389866417 2 "LCMSMS_1.mzML" 725 1 1014 227 222 34.1913918 401.060363769531 4.31985593909674 34.841856 2 227 TRUE +"618" 404.141901772703 404.122772216797 404.143798828125 126.186204 113.597328 134.058318 6186830.27077119 23470864.8968283 1498748.875 1611642.74767262 1 11.5048529010062 1 "LCMSMS_2.mzML" 338 1 780 941 936 126.186204 404.141937255859 0.0877987574458814 126.835656 1 941 TRUE +"618" 404.141879764006 404.122863769531 404.144226074219 126.441198 113.791176 134.305698 6321770.471542 23977077.4289252 1546538.25 1641415.70042065 1 11.1505637975645 2 "LCMSMS_1.mzML" 729 1 1609 941 936 126.441198 404.141845703125 0.0842795138388624 127.092906 2 941 TRUE +"625" 407.204554471595 407.158233642578 407.24951171875 72.171048 57.7060356 85.191792 18876596.8545548 64541549.1142719 4003013 3904447.21139118 1 12.9577984792609 2 "LCMSMS_1.mzML" 733 0.905774765378743 1261 524 522 72.171048 407.20166015625 7.1077676158887 72.536388 2 524 TRUE +"641" 414.234577223874 414.15576171875 414.269958496094 113.597328 100.69743 125.413584 7475969.21146879 26438744.5821858 843210.9375 1650926.77456831 1 13.2488581581444 1 "LCMSMS_2.mzML" 344 0.906032693585275 684 826 822 111.16869 414.234375 0.488186851542852 111.720672 1 826 TRUE +"651" 417.20974572592 417.180267333984 417.270477294922 77.474424 63.078168 90.601068 22432349.3141121 70724089.6672141 3082974.5 4244826.29946209 1 15.3985991353603 2 "LCMSMS_1.mzML" 738 0.966905196225588 1287 555 552 75.972048 417.208648681641 2.62947903399125 76.431138 2 555 TRUE +"661" 422.245503008018 422.157257080078 422.249267578125 77.267322 65.949288 88.866054 10333015.7024962 30740971.7675276 2424521.75 2137515.17548767 1 10.3847029008525 1 "LCMSMS_2.mzML" 352 1 463 561 558 76.520544 422.2490234375 8.3373995861275 76.978776 1 561 TRUE +"661" 422.244810933483 422.158081054688 422.249237060547 77.474424 66.147648 89.058666 11115750.8073536 33995699.5385793 2324010.5 2355686.78659603 1 11.3796921243798 2 "LCMSMS_1.mzML" 743 1 1294 563 558 76.72203 422.248962402344 9.83190024582168 77.350272 2 563 TRUE +"664" 423.190755443941 423.185028076172 423.252838134766 84.215802 71.233434 96.726306 24488952.9054385 82361775.9459416 4074453.5 5092906.67197299 1 19.1024932587002 1 "LCMSMS_2.mzML" 354 1 514 622 618 84.215802 423.186798095703 9.35121617537657 84.769152 1 622 TRUE +"678" 429.13678581444 429.13623046875 429.137237548828 71.233434 50.6971758 83.441172 51996787.3010654 134809462.339879 5404011.5 7211461.39434763 1 15.0460240597249 1 "LCMSMS_2.mzML" 356 1 310 377 372 52.9810356 429.136749267578 0.0851636661584605 53.6115018 1 377 TRUE +"678" 429.13678581444 429.13623046875 429.137237548828 71.233434 50.6971758 83.441172 51996787.3010654 134809462.339879 5404011.5 7211461.39434763 1 15.0460240597249 1 "LCMSMS_2.mzML" 356 1 424 514 510 70.461672 429.136657714844 0.298505279838225 71.014632 1 514 TRUE +"678" 429.136767529428 429.136199951172 429.138092041016 71.396808 50.0837946 83.64567 53515366.4335274 137082701.660503 5492228 6980810.3518927 1 14.783580013865 2 "LCMSMS_1.mzML" 747 1 1139 377 372 53.1376686 429.136810302734 0.0996729000089511 53.7820062 2 377 TRUE +"678" 429.136767529428 429.136199951172 429.138092041016 71.396808 50.0837946 83.64567 53515366.4335274 137082701.660503 5492228 6980810.3518927 1 14.783580013865 2 "LCMSMS_1.mzML" 747 1 1258 520 516 71.396808 429.136688232422 0.184782597017714 71.953512 2 520 TRUE +"699" 436.215002909334 436.145385742188 436.219696044922 113.597328 101.49993 125.413584 5904448.03806087 20144723.3651187 764445.4375 1303884.29795751 1 10.3653444790918 1 "LCMSMS_2.mzML" 361 0.921419706133938 685 827 822 111.16869 436.216247558594 2.85329310399634 111.816408 1 827 TRUE +"705" 437.26196926482 437.259826660156 437.268768310547 82.686066 69.717042 95.067042 3032670.80090554 11322819.978798 739371.1875 730667.904455794 1 12.1784701858079 1 "LCMSMS_2.mzML" 362 0.534230165424194 500 605 600 81.93093 437.259979248047 4.55108587845037 82.559142 1 605 TRUE +"705" 437.262039320009 437.259765625 437.345703125 82.86993 70.627524 95.269182 3072296.30017716 11642746.3242237 832326.375 755209.503933987 1 12.2874657221692 2 "LCMSMS_1.mzML" 751 0.612492534699059 1329 605 600 82.10931 437.260040283203 4.57171358505199 82.742526 2 605 TRUE +"739" 452.191973065994 452.189270019531 452.224395751953 112.786446 99.89805 125.413584 6698054.22775966 25121192.6204043 801245.875 1552769.73925228 1 10.6990378753924 1 "LCMSMS_2.mzML" 368 0.940645050319878 680 821 816 110.36505 452.190155029297 4.02049749895926 111.010422 1 821 TRUE +"739" 452.191556747302 452.150634765625 452.224822998047 112.983072 100.10529 125.668188 6949753.68966263 25983143.0046032 813885.0625 1605073.99568666 1 10.4472184123822 2 "LCMSMS_1.mzML" 758 0.936953196044324 1509 821 816 110.559792 452.190155029297 3.09983232557278 111.205782 2 821 TRUE +"757" 461.207113324101 461.110168457031 461.2431640625 76.520544 65.179668 88.866054 48904711.0742877 195241268.75592 14374106 12850193.8354307 1 21.2071228333724 1 "LCMSMS_2.mzML" 371 1 465 563 558 76.520544 461.209899902344 6.04192381657049 77.141778 1 563 TRUE +"757" 461.20738152051 461.121826171875 461.243560791016 77.474424 65.376156 89.831544 48607882.314214 192672537.990574 14159047 12716867.2850009 1 20.5600686941203 2 "LCMSMS_1.mzML" 761 1 1299 569 564 77.474424 461.209899902344 5.460410945608 78.102018 2 569 TRUE +"759" 462.22122959389 462.213439941406 462.291839599609 57.7060356 44.7995376 75.972048 38559454.0832874 105979165.236253 3445839.75 5926579.6352243 1 10.2307809194678 2 "LCMSMS_1.mzML" 762 0.944176192726551 1187 435 432 60.766158 462.218811035156 5.23247003559527 61.226112 2 435 TRUE +"787" 476.190702761819 476.186126708984 476.307098388672 81.162672 69.717042 92.725812 39151803.0473944 118893746.090445 7816689 8198001.40019319 1 14.9845576620757 1 "LCMSMS_2.mzML" 378 0.977294138555063 474 574 570 78.035046 476.186828613281 8.13570805892727 78.58677 1 574 TRUE +"787" 476.190794182677 476.186218261719 476.307495117188 81.344292 69.864534 92.927058 43745001.5410773 135433069.148731 8875996 9304027.49811656 1 15.612354791168 2 "LCMSMS_1.mzML" 768 0.917917041077806 1303 574 570 78.227304 476.186981201172 8.00725581423595 78.779022 2 574 TRUE +"787" 476.190794182677 476.186218261719 476.307495117188 81.344292 69.864534 92.927058 43745001.5410773 135433069.148731 8875996 9304027.49811656 1 15.612354791168 2 "LCMSMS_1.mzML" 768 0.990314571321696 1309 581 576 78.998916 476.187042236328 7.87908207170328 79.648392 2 581 TRUE +"812" 487.181176540989 487.099060058594 487.239410400391 66.710418 54.5086626 79.585674 58453273.9503532 230378509.09492 15813294 14998690.3403142 1 19.4416133244468 1 "LCMSMS_2.mzML" 384 1 394 478 474 65.949288 487.177612304688 7.31603861859596 66.493134 1 478 TRUE +"812" 487.180877999963 487.099700927734 487.239501953125 66.865908 54.6427758 78.998916 60132074.4709007 238189012.918308 18110170 15528706.5784369 1 19.1064097764383 2 "LCMSMS_1.mzML" 774 1 1224 479 474 66.147648 487.177856445312 6.20212078776047 66.74139 2 479 TRUE +"830" 494.196757645669 494.119018554688 494.198516845703 49.9356528 37.8964158 62.153292 31096636.998985 121560345.75829 6061495.5 8000920.55155143 1 19.2246142395834 1 "LCMSMS_2.mzML" 387 1 280 341 336 48.4095336 494.197631835938 1.76891138083971 49.060251 1 341 TRUE +"830" 494.1970608933 494.119293212891 494.197875976562 50.0837946 38.0417766 62.309778 31975460.900009 125089224.818786 5749075.5 8239138.02501223 1 18.9671855740286 2 "LCMSMS_1.mzML" 776 1 1112 345 342 49.3156656 494.197631835938 1.15529347093956 49.7757558 2 345 TRUE +"840" 498.169308539313 498.16845703125 498.28955078125 81.162672 68.984166 93.504684 46040504.6258466 180736904.384221 9105023 11919892.2978446 1 18.9934607564632 1 "LCMSMS_2.mzML" 389 1 479 580 576 78.808182 498.168731689453 1.15793937994546 79.36215 1 580 TRUE +"840" 498.169196251216 498.168304443359 498.216522216797 81.344292 69.864534 93.704046 47195241.5238887 185121008.239345 9710354 12214248.0689462 1 17.5782472187331 2 "LCMSMS_1.mzML" 778 1 1313 586 582 79.776168 498.168914794922 0.564981329073345 80.330904 2 586 TRUE +"840" 498.169196251216 498.168304443359 498.216522216797 81.344292 69.864534 93.704046 47195241.5238887 185121008.239345 9710354 12214248.0689462 1 17.5782472187331 2 "LCMSMS_1.mzML" 778 1 1372 657 654 89.058666 498.169708251953 1.02776474439097 89.521512 2 657 TRUE +"843" 499.250501059464 499.216003417969 499.255126953125 129.271086 116.806434 134.058318 55312967.4069412 179331694.489759 13120593 14382850.9535263 1 18.1627514816931 1 "LCMSMS_2.mzML" 391 1 778 939 936 126.186204 499.250396728516 0.208975150626037 126.64716 1 939 TRUE +"843" 499.250391260917 499.216522216797 499.254547119141 129.525558 116.993448 134.305698 60960211.430872 197064903.836068 13479257 15776334.7230698 1 17.5991745757 2 "LCMSMS_1.mzML" 780 1 1605 937 936 126.441198 499.250396728516 0.0109516161922676 126.711816 2 937 TRUE
--- a/test-data/flagRemove_output.tsv Wed Jun 12 16:04:05 2024 +0000 +++ b/test-data/flagRemove_output.tsv Thu Jun 13 11:38:36 2024 +0000 @@ -1,7 +1,7 @@ "grpid" "ID" "mzmed" "mzmin" "mzmax" "rtmed" "rtmin" "rtmax" "npeaks" "KO" "WT" "ko15" "ko16" "ko18" "wt19" "wt21" "wt22" "KO_median_I" "WT_median_I" "KO_RSD_I" "WT_RSD_I" "KO_coverage" "WT_coverage" "KO_RSD_RT" "WT_RSD_RT" "rsd_all_RT" "grpid.1" "KO_valid" "WT_valid" "all_sample_valid" "mzmin_full" "mzmax_full" "rtmin_full" "rtmax_full" "grp_names" -"1" "1" "205" "205" "205" "2794.024" "2793.436" "2803.044" "3" "0" "3" NA NA NA "1507943.06947222" "1533767.074875" "1354004.93486208" NA "1507943.06947222" NA "6.63321894286696" "0" "1" NA "0.19255594131829" "0.19255594131829" "1" "0" "1" "1" "205" "205" "2767.512" "2816.3" "M205T2794" -"2" "2" "231" "231" "231" "2519.839" "2504.508" "2535.473" "6" "1" "3" NA NA "30766.3350000011" "45103.2999999989" "104989.362833335" "49776.3899999999" "30766.3350000011" "49776.3899999999" NA "49.9951594827002" "0.333333333333333" "1" NA "0.360049078987311" "0.432545161192324" "2" "0" "1" "1" "231" "231" "2507.963" "2514.738" "M231T2520" -"3" "3" "402.200012207031" "402.200012207031" "402.200012207031" "3598.551" "3592.212" "3610.036" "4" "1" "3" NA NA "14554.4999999997" "37458.7453333329" "91785.7281052629" "142007.379692308" "14554.4999999997" "91785.7281052629" NA "57.8293736085665" "0.333333333333333" "1" NA "0.251337522585405" "0.206331444617903" "3" "0" "1" "1" "402.200012207031" "402.200012207031" "3563.503" "3597.137" "M402T3599" -"4" "4" "449.100006103516" "449.100006103516" "449.100006103516" "2667.26" "2664.638" "2676.652" "3" "0" "3" NA NA NA "6663.76999999991" "11221.0499999998" "6830.35200000006" NA "6830.35200000006" NA "31.3702198972974" "0" "1" NA "0.236631537850627" "0.236631537850627" "4" "0" "1" "1" "449.100006103516" "449.100006103516" "2659.233" "2670.393" "M449T2667" -"5" "5" "564.200012207031" "564.200012207031" "564.200012207031" "3498.002" "3491.993" "3507.349" "4" "0" "3" NA NA NA "149980.21" "87237.7950000002" "160589.344999999" NA "149980.21" NA "29.896461605479" "0" "1" NA "0.135256683436928" "0.135256683436928" "5" "0" "1" "1" "564.200012207031" "564.200012207031" "3473.214" "3501.034" "M564T3498" -"6" "6" "586.299987792969" "586.299987792969" "586.299987792969" "3308.894" "3308.249" "3310.396" "3" "0" "3" NA NA NA "10504.2799999998" "7491.65500000026" "12363.4999999997" NA "10504.2799999998" NA "24.294650028749" "0" "1" NA "0.0332903660058522" "0.0332903660058522" "6" "0" "1" "1" "586.299987792969" "586.299987792969" "3304.199" "3312.024" "M586T3309" +"1" "1" 205 205 205 2794.024 2793.436 2803.044 3 0 3 NA NA NA 1507943.06947222 1533767.074875 1354004.93486208 NA 1507943.06947222 NA 6.63321894286696 0 1 NA 0.19255594131829 0.19255594131829 1 0 1 1 205 205 2767.512 2828.409 "M205T2794" +"2" "2" 231 231 231 2519.839 2504.508 2535.473 6 1 3 NA NA 30766.3350000011 45103.2999999989 104989.362833335 49776.3899999999 30766.3350000011 49776.3899999999 NA 49.9951594827002 0.333333333333333 1 NA 0.360049078987311 0.432545161192324 2 0 1 1 231 231 2507.963 2540.338 "M231T2520" +"3" "3" 402.200012207031 402.200012207031 402.200012207031 3598.551 3592.212 3610.036 4 1 3 NA NA 14554.4999999997 37458.7453333329 91785.7281052629 142007.379692308 14554.4999999997 91785.7281052629 NA 57.8293736085665 0.333333333333333 1 NA 0.251337522585405 0.206331444617903 3 0 1 1 402.200012207031 402.200012207031 3563.503 3618.754 "M402T3599" +"4" "4" 449.100006103516 449.100006103516 449.100006103516 2667.26 2664.638 2676.652 3 0 3 NA NA NA 6663.76999999991 11221.0499999998 6830.35200000006 NA 6830.35200000006 NA 31.3702198972974 0 1 NA 0.236631537850627 0.236631537850627 4 0 1 1 449.100006103516 449.100006103516 2659.233 2679.782 "M449T2667" +"5" "5" 564.200012207031 564.200012207031 564.200012207031 3498.002 3491.993 3507.349 4 0 3 NA NA NA 149980.21 87237.7950000002 160589.344999999 NA 149980.21 NA 29.896461605479 0 1 NA 0.135256683436928 0.135256683436928 5 0 1 1 564.200012207031 564.200012207031 3473.214 3521.727 "M564T3498" +"6" "6" 586.299987792969 586.299987792969 586.299987792969 3308.894 3308.249 3310.396 3 0 3 NA NA NA 10504.2799999998 7491.65500000026 12363.4999999997 NA 10504.2799999998 NA 24.294650028749 0 1 NA 0.0332903660058522 0.0332903660058522 6 0 1 1 586.299987792969 586.299987792969 3304.199 3315.151 "M586T3309"
--- a/test-data/frag4feature_output.tsv Wed Jun 12 16:04:05 2024 +0000 +++ b/test-data/frag4feature_output.tsv Thu Jun 13 11:38:36 2024 +0000 @@ -1,324 +1,324 @@ -"grpid" "mz" "mzmin" "mzmax" "rt" "rtmin" "rtmax" "into" "intf" "maxo" "maxf" "i" "sn" "sample" "cid" "filename" "inPurity" "pid" "precurMtchID" "precurMtchScan" "precurMtchRT" "precurMtchMZ" "precurMtchPPM" "retentionTime" "fileid" "seqNum" -"12" 112.050766766484 112.050651550293 112.087196350098 67.47903 55.2769038 80.361672 36223791.266206 133522503.549415 7158012.5 8555976.39592391 1 21.054952458659 1 9 "LCMSMS_2.mzML" 1 384 466 462 64.427298 112.050704956055 0.55162878935702 64.958766 1 466 -"12" 112.05085569128 112.050621032715 112.120460510254 67.634034 55.4140188 80.555406 36139265.8017591 133395720.51942 7426335.5 8522973.08164079 1 20.3803986860233 2 400 "LCMSMS_1.mzML" 1 1218 472 468 65.376156 112.050743103027 1.00479600749392 65.928894 2 472 -"14" 113.03541992282 113.034698486328 113.059997558594 83.441172 72.006432 95.851296 88462324.9597518 348004137.88132 18599380 22772249.3980656 1 27.431622141047 1 11 "LCMSMS_2.mzML" 1 499 604 600 81.93093 113.034736633301 6.04491512630164 82.463394 1 604 -"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 402 "LCMSMS_1.mzML" 1 1321 596 594 81.344292 113.034736633301 5.61834418239318 81.70764 2 596 -"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 402 "LCMSMS_1.mzML" 0.472133563046185 1380 667 666 90.601068 113.034713745117 5.8208310964319 90.871572 2 667 -"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 0.950632241095866 226 277 276 40.9547952 116.070838928223 1.7359353575902 41.2252842 1 277 -"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 1 281 343 342 49.182402 116.070831298828 1.67020474130592 49.452918 1 343 -"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 13 "LCMSMS_2.mzML" 1 337 410 408 57.5697876 116.070770263672 1.14435981103166 57.9341562 1 410 -"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 0.989376188689562 1055 277 276 41.0984136 116.070816040039 2.22463819204545 41.3688786 2 277 -"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 1 1110 343 342 49.3156656 116.070823669434 2.29036885341395 49.586265 2 343 -"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 404 "LCMSMS_1.mzML" 1 1165 409 408 57.7060356 116.070785522461 1.96171554657148 57.976677 2 409 -"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 391 475 474 65.949288 132.101821899414 0.0447061558976329 66.21981 1 475 -"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 446 541 540 74.297424 132.101867675781 0.301817188616646 74.567904 1 541 -"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 27 "LCMSMS_2.mzML" 1 501 607 606 82.686066 132.101852416992 0.186309407111886 82.956534 1 607 -"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1223 478 474 66.147648 132.101852416992 0.190663125216797 66.662874 2 478 -"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1280 547 546 75.21942 132.101806640625 0.155860220806146 75.489906 2 547 -"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 419 "LCMSMS_1.mzML" 1 1338 616 612 83.64567 132.10188293457 0.421678689232093 84.193392 2 616 -"47" 137.045578757527 136.940017700195 137.045684814453 126.956946 114.406068 134.058318 1914326353.43818 7149870134.39123 339347296 497573209.284211 1 34.3024850459489 1 33 "LCMSMS_2.mzML" 1 746 901 900 121.56708 137.045669555664 0.662539701371764 121.837692 1 901 -"47" 137.045578757527 136.940017700195 137.045684814453 126.956946 114.406068 134.058318 1914326353.43818 7149870134.39123 339347296 497573209.284211 1 34.3024850459489 1 33 "LCMSMS_2.mzML" 1 802 968 966 130.031346 137.045639038086 0.439857741094926 130.377228 1 968 -"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 425 "LCMSMS_1.mzML" 1 1577 903 900 121.840812 137.045669555664 0.751521765321877 122.29704 2 903 -"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 425 "LCMSMS_1.mzML" 1 1641 980 978 131.936568 137.045623779297 0.417498795184589 132.282558 2 980 -"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.478583762215561 265 323 318 46.161033 138.054763793945 0.385456784658412 46.8046212 1 323 -"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.926032123629646 270 329 324 46.926273 138.05485534668 1.04861948291394 47.539992 1 329 -"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 1 291 355 354 50.6971758 138.054748535156 0.27492966828249 50.9677686 1 355 -"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 36 "LCMSMS_2.mzML" 0.982863487460479 347 422 420 59.113914 138.054809570312 0.717038133786177 59.477268 1 422 -"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.449226243412885 1094 323 318 46.2952926 138.054809570312 0.627452613468721 46.9377588 2 323 -"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.682440289459046 1096 326 324 47.0589156 138.054809570312 0.627452613468721 47.4072606 2 326 -"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 1 1135 373 372 53.1376686 138.054824829102 0.73797971994302 53.408286 2 373 -"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 428 "LCMSMS_1.mzML" 0.891554874127874 1190 439 438 61.541034 138.054779052734 0.406398400520122 61.811526 2 439 -"49" 138.048727400006 138.017150878906 138.049011230469 126.956946 114.406068 134.058318 107319384.367588 399179027.020378 19350734 27741080.6360187 1 28.7232463589518 1 35 "LCMSMS_2.mzML" 0.786277688323535 764 922 918 123.896694 138.048767089844 0.287506005368198 124.445286 1 922 -"49" 138.048704393746 138.017150878906 138.049011230469 126.441198 114.599184 134.305698 108751663.360006 405340993.012011 18617462 28101051.9066502 1 30.0539027494402 2 427 "LCMSMS_1.mzML" 0.796822033254558 1598 928 924 124.941198 138.048797607422 0.67522311432569 125.455416 2 928 -"51" 140.067802644286 140.001693725586 140.115173339844 46.161033 34.0415226 58.3416642 170011285.612119 677292518.463321 32451352 44271770.7647804 1 30.5218137136917 1 38 "LCMSMS_2.mzML" 1 236 289 288 42.4292958 140.068130493164 2.34064411904564 42.6998922 1 289 -"51" 140.06784640212 140.001708984375 140.070831298828 46.2952926 34.1913918 58.478901 174282446.190803 693996060.277404 31643056 45478430.4205372 1 30.1832371220605 2 430 "LCMSMS_1.mzML" 1 1078 304 300 44.0806488 140.068084716797 1.70142315424764 44.603985 2 304 -"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 44 "LCMSMS_2.mzML" 1 235 287 282 41.6846646 146.117492675781 0.668288238413146 42.3093822 1 287 -"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 44 "LCMSMS_2.mzML" 0.983625855342406 292 356 354 50.6971758 146.117309570312 0.584851189071573 51.0603918 1 356 -"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 435 "LCMSMS_1.mzML" 1 1084 311 306 44.7995376 146.117416381836 0.131094031138655 45.406614 2 311 -"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 435 "LCMSMS_1.mzML" 0.837758373655053 1140 379 378 53.9081688 146.117370605469 0.182190821016718 54.1786398 2 379 -"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 45 "LCMSMS_2.mzML" 0.933453799267343 412 500 498 68.984166 147.043823242188 0.179918260382272 69.347514 1 500 -"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 45 "LCMSMS_2.mzML" 0.932823700733781 415 503 498 68.984166 147.043853759766 0.0276224030842009 69.59589 1 503 -"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 436 "LCMSMS_1.mzML" 0.988002630523906 1239 497 492 68.393532 147.043838500977 0.101782193880233 69.033138 2 497 -"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 436 "LCMSMS_1.mzML" 0.980928808379244 1241 500 498 69.154026 147.043838500977 0.101782193880233 69.517518 2 500 -"66" 148.042683925669 148.039047241211 148.047088623047 64.427298 51.4450368 77.267322 54935005.6176214 205821097.687204 6768361.5 13161064.5222934 1 23.5355240524895 1 47 "LCMSMS_2.mzML" 1 359 436 432 60.634806 148.042587280273 0.652821154739326 61.178016 1 436 -"66" 148.042721958059 148.038986206055 148.047119140625 64.605414 52.3652958 77.474424 58447146.6341686 220334578.529236 8228312 14115433.6753709 1 23.8773430863274 2 438 "LCMSMS_1.mzML" 1 1194 443 438 61.541034 148.042556762695 1.1158627820936 62.184492 2 443 -"67" 149.026338801704 149.026229858398 149.026382446289 91.18956 78.808182 103.89993 1698958704.63737 6840419077.33234 349382368 436967869.633165 1 31.7357588758856 1 49 "LCMSMS_2.mzML" 0.840255867615411 605 731 726 98.311686 149.026306152344 0.219084497676219 98.956014 1 731 -"67" 149.026337703886 149.026229858398 149.026382446289 91.376562 78.998916 104.102922 1669137911.63194 6717727255.45554 353652704 429749452.797022 1 31.8010283688846 2 440 "LCMSMS_1.mzML" 0.835356522321461 1434 731 726 98.516814 149.026321411133 0.109328008331516 99.1614 2 731 -"68" 150.058153535588 150.058074951172 150.076126098633 62.924034 50.6971758 75.78993 495190716.923188 1984294720.42183 111902200 129689299.71264 1 32.4229937385997 1 52 "LCMSMS_2.mzML" 1 361 439 438 61.39704 150.058166503906 0.0864219478424959 61.66767 1 439 -"68" 150.058153535588 150.058074951172 150.076126098633 62.924034 50.6971758 75.78993 495190716.923188 1984294720.42183 111902200 129689299.71264 1 32.4229937385997 1 52 "LCMSMS_2.mzML" 0.910779902061608 416 505 504 69.717042 150.058135986328 0.116949727777665 69.987654 1 505 -"68" 150.05818311751 150.05810546875 150.112197875977 63.078168 51.5947758 75.972048 489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 443 "LCMSMS_1.mzML" 1 1195 445 444 62.309778 150.058135986328 0.314086049683708 62.58027 2 445 -"68" 150.05818311751 150.05810546875 150.112197875977 63.078168 51.5947758 75.972048 489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 443 "LCMSMS_1.mzML" 0.899887678060438 1250 511 510 70.627524 150.05810546875 0.517457685211921 70.898028 2 511 -"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 56 "LCMSMS_2.mzML" 1 490 593 588 80.361672 153.040512084961 1.36876674481465 81.033882 1 593 -"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 56 "LCMSMS_2.mzML" 1 548 663 660 89.6403 153.040344238281 2.46551196382807 90.100398 1 663 -"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1318 592 588 80.555406 153.040512084961 1.42054480190384 81.122028 2 592 -"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1375 661 660 89.831544 153.04035949707 2.41758585847294 90.102054 2 661 -"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 447 "LCMSMS_1.mzML" 1 1430 727 726 98.516814 153.040557861328 1.12143248493311 98.787414 2 727 -"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 0.672380618767158 247 302 300 43.9150368 156.076675415039 3.222597768605 44.278287 1 302 -"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 0.71122543687701 250 305 300 43.9150368 156.076675415039 3.222597768605 44.5133742 1 305 -"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 1 306 373 372 52.9810356 156.076614379883 2.83153771572103 53.2516788 1 373 -"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 59 "LCMSMS_2.mzML" 1 362 440 438 61.39704 156.076599121094 2.73377270250004 61.760394 1 440 -"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 0.689159500011442 1076 302 300 44.0806488 156.076690673828 2.9013587500534 44.445024 2 302 -"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 0.737802126994146 1080 307 306 44.7995376 156.076675415039 2.80359377779621 45.0700188 2 307 -"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 1 1136 374 372 53.1376686 156.076644897461 2.60806383328182 53.501001 2 374 -"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 450 "LCMSMS_1.mzML" 1 1196 446 444 62.309778 156.076553344727 2.02147399973867 62.673012 2 446 -"77" 158.091194778484 158.01237487793 158.092437744141 43.9150368 31.7040216 56.7980382 45651083.5292649 158918716.937194 5473670 10103433.7061221 1 21.2526001663955 1 61 "LCMSMS_2.mzML" 0.899008484879181 225 275 270 40.1901702 158.092361450195 7.37973871940025 40.833891 1 275 -"77" 158.090977512596 157.992492675781 158.092468261719 44.0806488 31.850268 56.9384052 45829048.4233895 158954748.927492 4950029.5 10075169.186439 1 21.085999665894 2 452 "LCMSMS_1.mzML" 0.897284870200624 1058 280 276 41.0984136 158.092376708984 8.85057712168554 41.6124906 2 280 -"88" 164.929981664987 164.920303344727 165.048141479492 40.1901702 27.3304008 52.214286 45555104.4925582 184838312.743353 9348705 11881048.7967838 1 21.4391626539814 1 67 "LCMSMS_2.mzML" 0.918813676323213 210 257 252 37.8964158 164.930053710938 0.436827493730139 38.5225062 1 257 -"88" 164.930363340782 164.920318603516 165.000762939453 40.331784 27.436638 52.3652958 44606234.834488 181017913.491933 9182994 11636503.0263511 1 21.6820650392366 2 459 "LCMSMS_1.mzML" 0.927795470693746 1039 257 252 38.0417766 164.930099487305 1.59978715885581 38.6629848 2 257 -"89" 165.054460611227 165.054306030273 165.09098815918 70.461672 58.3416642 82.686066 157204927.610844 633134818.725802 31821408 41756665.6144017 1 31.7047589812144 1 68 "LCMSMS_2.mzML" 1 399 484 480 66.710418 165.054473876953 0.0803718152102289 67.258524 1 484 -"89" 165.054460611227 165.054306030273 165.09098815918 70.461672 58.3416642 82.686066 157204927.610844 633134818.725802 31821408 41756665.6144017 1 31.7047589812144 1 68 "LCMSMS_2.mzML" 1 458 555 552 75.78993 165.054412841797 0.289416168852581 76.24689 1 555 -"89" 165.054493582072 165.054382324219 165.091018676758 70.627524 58.478901 82.86993 157329282.103013 633950618.797678 31930138 41817543.0206629 1 31.9990026564801 2 460 "LCMSMS_1.mzML" 1 1233 490 486 67.634034 165.054458618164 0.211832509161606 68.179014 2 490 -"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 72 "LCMSMS_2.mzML" 1 317 386 384 54.5086626 170.092300415039 0.513202631121696 54.8720202 1 386 -"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 72 "LCMSMS_2.mzML" 1 377 458 456 63.683916 170.092178344727 0.204468744060742 64.033398 1 458 -"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 72 "LCMSMS_2.mzML" 0.751851935279909 438 531 528 72.774312 170.092163085938 0.294177665958547 73.216398 1 531 -"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 464 "LCMSMS_1.mzML" 1 1149 389 384 54.6427758 170.092239379883 0.117628016757482 55.2882408 2 389 -"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 464 "LCMSMS_1.mzML" 1 1207 459 456 63.848922 170.092193603516 0.151498739048505 64.292004 2 459 -"97" 170.092219372272 170.092147827148 170.092391967773 61.541034 47.814411 75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 464 "LCMSMS_1.mzML" 0.767818411875926 1267 531 528 72.943668 170.092163085938 0.330916576252497 73.38288 2 531 -"106" 178.057265428919 177.960739135742 178.058578491211 45.3966672 33.2788968 57.5697876 107208995.879736 426351769.726465 20264748 27837870.2038831 1 30.7664610327479 1 79 "LCMSMS_2.mzML" 1 242 296 294 43.1829192 178.058502197266 6.94590217257655 43.5352578 1 296 -"106" 178.057362357306 177.960906982422 178.107238769531 45.5280288 33.428391 57.7060356 109199679.276284 434620185.015327 20406868 28448042.0351455 1 30.2351177663392 2 471 "LCMSMS_1.mzML" 1 1073 298 294 43.3414116 178.058502197266 6.40153231546711 43.8788766 2 298 -"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 83 "LCMSMS_2.mzML" 1 395 479 474 65.949288 182.080947875977 0.192181696457397 66.585882 1 479 -"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 83 "LCMSMS_2.mzML" 1 452 548 546 75.040038 182.080978393555 0.0245772731716239 75.386076 1 548 -"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 83 "LCMSMS_2.mzML" 1 462 560 558 76.520544 182.081024169922 0.226829361757037 76.884018 1 560 -"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 475 "LCMSMS_1.mzML" 1 1225 481 480 66.865908 182.081039428711 0.283802406121786 67.1364 2 481 -"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 475 "LCMSMS_1.mzML" 1 1281 548 546 75.21942 182.080963134766 0.135208640850934 75.565278 2 548 -"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 475 "LCMSMS_1.mzML" 1 1289 557 552 75.972048 182.081008911133 0.116197987332698 76.599252 2 557 -"127" 189.123836918215 189.087127685547 189.134567260742 49.182402 38.6530368 59.113914 73014397.0673668 235281079.680687 13534067 17553807.2912804 2 10.0050527537283 1 91 "LCMSMS_2.mzML" 0.936195500849476 282 344 342 49.182402 189.123199462891 3.37057102490262 49.5321612 1 344 -"127" 189.123836741155 189.123138427734 189.134719848633 50.0837946 38.7940218 59.2511508 77454068.3063944 251989170.144413 14308037 18763393.7591957 2 10.3593904294032 2 483 "LCMSMS_1.mzML" 0.843596321889113 1101 332 330 47.814411 189.12321472168 3.28895334163321 48.177636 2 332 -"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 94 "LCMSMS_2.mzML" 0.381690143956427 214 262 258 38.6530368 191.040237426758 8.74833036714082 39.201996 1 262 -"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 94 "LCMSMS_2.mzML" 0.413512380700657 215 263 258 38.6530368 191.040237426758 8.74833036714082 39.2947548 1 263 -"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 491459122.140317 28371116 31973196.2180131 1 26.5108860838081 1 94 "LCMSMS_2.mzML" 0.777673424401892 228 279 276 40.9547952 191.040191650391 8.9879446355133 41.3761842 1 279 -"134" 192.070004316993 192.068435668945 192.159378051758 121.840812 109.75707 133.503804 6688043.65811988 24252761.5724549 1647994.5 1597829.80008397 1 10.0964474097943 2 487 "LCMSMS_1.mzML" 1 1568 892 888 120.16695 192.06867980957 6.89596185316682 120.719778 2 892 -"136" 194.033955868316 193.974349975586 194.11750793457 45.3966672 33.2788968 58.3416642 33129363.93583 126346168.61234 7712030.5 8168938.04981718 1 24.4596098509999 1 97 "LCMSMS_2.mzML" 1 252 308 306 44.6336652 194.032531738281 7.33959181536514 44.9970132 1 308 -"136" 194.033961457167 193.974548339844 194.117202758789 45.5280288 33.428391 57.7060356 34261724.0753671 131360169.574669 7448038 8573625.45738317 1 25.0433988110197 2 489 "LCMSMS_1.mzML" 1 1082 309 306 44.7995376 194.032531738281 7.36839507267366 45.2385 2 309 -"143" 200.039036175676 199.990417480469 200.05534362793 43.9150368 31.7040216 56.048412 62417372.2964744 238939831.229273 13601618 15867218.5995072 1 23.9081228390022 1 102 "LCMSMS_2.mzML" 0.827972965127136 248 303 300 43.9150368 200.040481567383 7.22554824455522 44.362509 1 303 -"143" 200.039076107751 199.990539550781 200.055267333984 44.0806488 31.850268 56.1655458 63115746.8678432 241275739.080238 14604527 16063269.6598853 1 24.1787310671836 2 494 "LCMSMS_1.mzML" 0.767260518462937 1074 299 294 43.3414116 200.040496826172 7.10220447261701 43.96086 2 299 -"150" 203.139004267186 203.138748168945 203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 106 "LCMSMS_2.mzML" 0.975098548089428 389 472 468 65.179668 203.138809204102 0.960244366979045 65.729394 1 472 -"150" 203.139004267186 203.138748168945 203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 106 "LCMSMS_2.mzML" 1 447 542 540 74.297424 203.13883972168 0.810014339835363 74.643408 1 542 -"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 0.987995155912351 1219 473 468 65.376156 203.138854980469 0.688929364761007 66.021636 2 473 -"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 1 1275 541 540 74.45592 203.138793945312 0.989389432860519 74.726424 2 541 -"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 498 "LCMSMS_1.mzML" 0.750231617684845 1330 607 606 82.86993 203.138854980469 0.688929364761007 83.14053 2 607 -"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 107 "LCMSMS_2.mzML" 0.679733861324877 297 362 360 51.4450368 204.122802734375 7.13966357500352 51.8082648 1 362 -"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 107 "LCMSMS_2.mzML" 1 305 371 366 52.214286 204.122817993164 7.21441709494699 52.854519 1 371 -"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 107 "LCMSMS_2.mzML" 0.949533862703207 363 441 438 61.39704 204.122848510742 7.36392413483392 61.840254 1 441 -"152" 204.121491500524 204.05583190918 204.142135620117 56.9384052 44.0806488 69.154026 945349158.533167 3774433902.84221 192277952 245432737.225034 1 31.3148658869282 2 499 "LCMSMS_1.mzML" 1 1141 380 378 53.9081688 204.122817993164 6.49854471623582 54.2541396 2 380 -"152" 204.121491500524 204.05583190918 204.142135620117 56.9384052 44.0806488 69.154026 945349158.533167 3774433902.84221 192277952 245432737.225034 1 31.3148658869282 2 499 "LCMSMS_1.mzML" 0.808846763694402 1202 453 450 63.078168 204.122863769531 6.72280511552544 63.534138 2 453 -"158" 207.015970241864 207.004974365234 207.130523681641 41.826645 30.0872718 53.9081688 31865281.7221108 104038647.916353 7626851.5 7159071.4962137 1 16.1279060992664 2 504 "LCMSMS_1.mzML" 0.866525825510585 1067 291 288 42.5736636 207.014144897461 8.81740863331111 43.0297428 2 291 -"172" 214.06240374159 214.006088256836 214.089477539062 55.4140188 41.826645 69.154026 55859135.5808205 175270338.34633 6898645.5 10502955.6520861 1 14.3539712297571 2 512 "LCMSMS_1.mzML" 1 1137 375 372 53.1376686 214.064239501953 8.57581869001838 53.594496 2 375 -"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 0.656097178055188 508 615 612 83.441172 218.13850402832 0.458536456564984 83.896776 1 615 -"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 1 566 685 684 92.725812 218.138473510742 0.318636385945355 92.996412 1 685 -"180" 218.138404003909 218.121429443359 218.138565063477 89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 126 "LCMSMS_2.mzML" 0.756767952399567 621 751 750 101.49993 218.138488769531 0.38858642125517 101.770446 1 751 -"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 518 "LCMSMS_1.mzML" 0.74813521899954 1337 615 612 83.64567 218.138366699219 0.0831858567062568 84.100632 2 615 -"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 518 "LCMSMS_1.mzML" 1 1395 685 684 92.927058 218.138458251953 0.336514392014067 93.19755 2 685 -"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 518 "LCMSMS_1.mzML" 0.75512635718691 1450 751 750 101.700294 218.13850402832 0.546364516374229 101.97081 2 751 -"182" 219.134537648256 219.133590698242 219.141830444336 84.215802 72.006432 95.067042 228560852.3732 549584698.602371 35684208 38358595.2669499 1 10.3205425760716 1 128 "LCMSMS_2.mzML" 0.974347865630473 494 598 594 81.162672 219.133682250977 3.90352560969656 81.707766 1 598 -"182" 219.134392971934 219.017486572266 219.141799926758 83.64567 72.171048 95.269182 237668711.346651 578769629.077717 38747760 40149538.2350155 1 10.6422119093857 2 520 "LCMSMS_1.mzML" 0.986868374160269 1324 599 594 81.344292 219.133697509766 3.17367875969659 81.98076 2 599 -"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 138 "LCMSMS_2.mzML" 1 234 286 282 41.6846646 227.113693237305 2.78152797684754 42.2166258 1 286 -"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 138 "LCMSMS_2.mzML" 0.881745288827023 295 359 354 50.6971758 227.113494873047 1.90811164188016 51.320388 1 359 -"199" 227.113064073098 227.063293457031 227.113784790039 47.0589156 34.9703976 59.2511508 429930708.544422 1629191183.47371 58695372 104890057.204444 1 28.1620799447139 2 529 "LCMSMS_1.mzML" 1 1064 287 282 41.826645 227.113677978516 2.70308280095101 42.453609 2 287 -"199" 227.113064073098 227.063293457031 227.113784790039 47.0589156 34.9703976 59.2511508 429930708.544422 1629191183.47371 58695372 104890057.204444 1 28.1620799447139 2 529 "LCMSMS_1.mzML" 0.880318719991587 1121 356 354 50.8435338 227.113540649414 2.09840996047408 51.189522 2 356 -"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 1 623 753 750 101.49993 229.154479980469 0.143197209237207 101.957028 1 753 -"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 0.881356832702374 655 791 786 106.37445 229.154418945312 0.123152220175066 107.01903 1 791 -"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 0.920867286893095 678 819 816 110.36505 229.154434204102 0.0565648628219979 110.821278 1 819 -"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 142 "LCMSMS_2.mzML" 1 731 883 882 119.18757 229.154479980469 0.143197209237207 119.458086 1 883 -"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 1 1453 754 750 101.700294 229.154495239258 0.200610647606269 102.250902 2 754 -"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 0.89031814100289 1488 796 792 107.36631 229.154403686523 0.19891349284694 107.917278 2 796 -"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 0.90684767610572 1506 818 816 110.559792 229.154434204102 0.0657387793625367 110.923284 2 818 -"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 533 "LCMSMS_1.mzML" 1 1560 883 882 119.375448 229.154479980469 0.134023290864068 119.646054 2 883 -"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 143 "LCMSMS_2.mzML" 0.486337768381168 695 839 834 112.786446 230.138534545898 7.26737937648595 113.433918 1 839 -"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 143 "LCMSMS_2.mzML" 0.565414375466082 751 907 906 122.344698 230.138412475586 7.79779652548532 122.615214 1 907 -"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.391807383300426 1523 838 834 112.983072 230.13850402832 7.3013350219424 113.533644 2 838 -"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.623212375972271 1572 897 894 120.962436 230.138442993164 7.56654362260474 121.505028 2 897 -"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 534 "LCMSMS_1.mzML" 0.554670288641826 1575 901 900 121.840812 230.138442993164 7.56654362260474 122.111304 2 901 -"209" 231.169440223829 231.141708374023 231.170104980469 130.794318 118.391574 134.058318 148637539.112457 439297920.66514 27120750 38299876.1226009 1 30.3676899291214 1 145 "LCMSMS_2.mzML" 1 779 940 936 126.186204 231.169937133789 2.14954865844036 126.740928 1 940 -"209" 231.1694578533 231.141738891602 231.170074462891 131.148558 118.583076 134.305698 163151158.343899 484163165.256014 29294412 42055243.0047838 1 30.557814501113 2 536 "LCMSMS_1.mzML" 1 1608 940 936 126.441198 231.169860839844 1.74325167298274 126.99816 2 940 -"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 354 430 426 59.8657836 233.149276733398 0.304611521531101 60.41451 1 430 -"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 413 501 498 68.984166 233.149154663086 0.218960120613038 69.422898 1 501 -"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 1 471 571 570 78.035046 233.149139404297 0.284406575881055 78.305538 1 571 -"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 149 "LCMSMS_2.mzML" 0.94350103628384 527 638 636 86.547678 233.149337768555 0.56639734260317 86.911908 1 638 -"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1183 430 426 60.003786 233.149291992188 0.69018353444396 60.54639 2 430 -"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1244 503 498 69.154026 233.14924621582 0.493844105786682 69.74364 2 503 -"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 1 1300 571 570 78.227304 233.149185180664 0.232058200910312 78.49779 2 571 -"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 540 "LCMSMS_1.mzML" 0.926008456943044 1355 637 636 86.744814 233.14924621582 0.493844105786682 87.015312 2 637 -"234" 244.953385254716 244.896118164062 245.043228149414 40.9547952 28.2062742 52.9810356 16037222.3783712 64899256.6117073 3590265.25 4242185.37986366 1 12.6030181737188 1 162 "LCMSMS_2.mzML" 0.881349316806368 219 268 264 39.4231566 244.953887939453 2.05216489084812 39.972006 1 268 -"234" 244.953869913692 244.896194458008 245.030487060547 41.0984136 28.3160286 53.1376686 15496382.1927917 62791898.5729703 3460913.25 4097876.20121155 1 14.4994252113539 2 553 "LCMSMS_1.mzML" 0.923443194027494 1053 274 270 40.331784 244.953842163086 0.11328911160655 40.8834882 2 274 -"235" 245.07657810262 245.058502197266 245.113082885742 83.441172 71.233434 95.851296 130107908.671788 506813267.729398 28372734 33047728.9500919 1 24.1571487502111 1 163 "LCMSMS_2.mzML" 1 502 608 606 82.686066 245.076446533203 0.536850227266776 83.03208 1 608 -"235" 245.076612709839 245.045013427734 245.113418579102 83.64567 71.396808 96.141564 133327487.129729 519799854.462329 30575682 33749558.6230221 1 24.4576476339533 2 554 "LCMSMS_1.mzML" 1 1326 602 600 82.10931 245.076461791992 0.615798647494415 82.455288 2 602 -"238" 246.144917517526 246.144378662109 246.19221496582 56.048412 44.6336652 69.717042 148350049.60707 333143139.887778 13887742 21615823.5963323 1 10.4096882269271 1 164 "LCMSMS_2.mzML" 0.756803098694239 273 333 330 47.662548 246.14453125 1.56926874746986 48.1182612 1 333 -"238" 246.144952248507 246.144378662109 246.192169189453 56.1655458 44.7995376 69.864534 150762013.014634 333732277.248357 14014453 21754808.112732 1 10.2385155603447 2 555 "LCMSMS_1.mzML" 0.750716423305217 1102 333 330 47.814411 246.144577026367 1.52439502082907 48.2713692 2 333 -"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.821741670840677 269 328 324 46.926273 247.128524780273 0.0757397186380841 47.46063 1 328 -"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.938635147966783 314 382 378 53.7376638 247.128555297852 0.0477489633776442 54.289368 1 382 -"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 165 "LCMSMS_2.mzML" 0.857111083112714 374 454 450 62.924034 247.128494262695 0.199228400653812 63.463008 1 454 -"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.814422484596901 1098 328 324 47.0589156 247.128570556641 0.0207233699446665 47.594502 2 328 -"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.888295194342072 1146 386 384 54.6427758 247.12841796875 0.638166699621889 55.007136 2 386 -"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 556 "LCMSMS_1.mzML" 0.981696979641786 1209 461 456 63.848922 247.128540039062 0.144212035880111 64.478262 2 461 -"246" 249.094795122248 248.998840332031 249.108001708984 43.9150368 31.7040216 56.7980382 181288728.896844 694915682.737233 30663236 43807350.0510286 1 23.5096840518923 1 167 "LCMSMS_2.mzML" 0.974841450728785 238 291 288 42.4292958 249.095626831055 3.33892486946568 42.87426 1 291 -"246" 249.094786329156 248.99885559082 249.108108520508 44.0806488 31.850268 56.9384052 188342757.475762 722605329.15557 31173768 45742421.0002743 1 23.6562441549647 2 558 "LCMSMS_1.mzML" 0.972305308606495 1063 286 282 41.826645 249.095642089844 3.43548213316374 42.3608646 2 286 -"254" 253.152010413701 253.151672363281 253.179840087891 130.794318 119.18757 134.058318 26945261.0609135 75957155.4407699 5148614 7002890.33519098 1 23.4753344450044 1 173 "LCMSMS_2.mzML" 0.90027841033975 792 956 954 128.497464 253.151809692383 0.792888502700217 128.861796 1 956 -"254" 253.152005957588 253.151718139648 253.17985534668 131.148558 118.583076 134.305698 26724378.1672575 76291898.3275723 4978996.5 6914639.34797795 1 22.6485160038881 2 564 "LCMSMS_1.mzML" 0.937362849422515 1622 957 954 128.75019 253.151733398438 1.07666202029397 129.21015 2 957 -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.847235770572558 349 424 420 59.113914 260.160125732422 0.66079949927416 59.6453988 1 424 -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.924330695607273 383 465 462 64.427298 260.160003662109 0.19158696018755 64.867014 1 465 -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.914064038327345 407 494 492 68.244408 260.160034179688 0.308890094959202 68.608668 1 494 -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.841126437434894 441 535 534 73.529172 260.160125732422 0.66079949927416 73.799652 1 535 -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.55749869514057 468 567 564 77.267322 260.160034179688 0.308890094959202 77.726148 1 567 -"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 182 "LCMSMS_2.mzML" 0.946893122380285 496 601 600 81.93093 260.160095214844 0.543496364502507 82.20144 1 601 -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.821830289582688 1163 406 402 56.9384052 260.16015625 0.840402113981948 57.4883808 2 406 -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.851588855173982 1178 424 420 59.2511508 260.160125732422 0.723098971902377 59.783622 2 424 -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.933128174347517 1222 477 474 66.147648 260.160064697266 0.488492687743234 66.587394 2 477 -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.903572450801527 1238 496 492 68.393532 260.160064697266 0.488492687743234 68.940384 2 496 -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.690560642146632 1282 549 546 75.21942 260.160034179688 0.371189545663663 75.659004 2 549 -"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 572 "LCMSMS_1.mzML" 0.546970369281507 1296 566 564 77.474424 260.159973144531 0.136583261504521 77.83902 2 566 -"278" 263.194464580713 263.105407714844 263.196166992188 74.297424 62.924034 85.770306 119933218.572382 405163218.56135 25959554 28271834.5936298 1 18.3735788635792 1 187 "LCMSMS_2.mzML" 1 420 509 504 69.717042 263.196014404297 5.88851131945123 70.340268 1 509 -"278" 263.194591006946 263.105438232422 263.196136474609 74.45592 63.078168 85.969068 127296971.737416 432940127.545569 27733744 30178065.3075823 1 18.474001566198 2 577 "LCMSMS_1.mzML" 1 1248 508 504 69.864534 263.196075439453 5.64005704320773 70.412256 2 508 -"282" 265.07194783613 264.972778320312 265.121490478516 46.161033 33.2788968 58.3416642 56738949.5438045 211537347.775767 8726244 13582517.3423529 1 21.9005220232964 1 190 "LCMSMS_2.mzML" 0.556694264486346 230 281 276 40.9547952 265.069580078125 8.93251068163562 41.5643712 1 281 -"282" 265.072207618208 264.972686767578 265.121154785156 46.2952926 33.428391 58.478901 59594262.5213418 221974116.830665 8799412 14289335.2723432 1 21.4444932304386 2 580 "LCMSMS_1.mzML" 0.586735229915088 1059 281 276 41.0984136 265.069671630859 9.56715670741146 41.706231 2 281 -"298" 268.997725920593 268.950439453125 269.039093017578 42.4292958 29.960895 53.7376638 53634416.7438183 215675430.907926 13946139 14247890.3566914 1 23.810466331062 1 193 "LCMSMS_2.mzML" 1 229 280 276 40.9547952 268.998260498047 1.98729358071083 41.4698838 1 280 -"298" 268.99755266196 268.950531005859 269.018218994141 42.5736636 30.0872718 53.9081688 51889370.7166119 208230251.154206 13217159 13748008.6520212 1 24.9127538007046 2 583 "LCMSMS_1.mzML" 0.916804554552295 1052 273 270 40.331784 268.998291015625 2.74483413429186 40.7897508 2 273 -"301" 271.074857250183 270.95654296875 271.103546142578 43.1829192 30.8096568 55.2769038 64515333.1129028 239868774.915776 13621015 15987233.2560677 1 19.7508246169866 1 196 "LCMSMS_2.mzML" 0.473881896281215 283 345 342 49.182402 271.077117919922 8.33965112754828 49.625877 1 345 -"301" 271.075417555327 270.95654296875 271.103546142578 43.3414116 31.850268 55.4140188 65084413.3775139 243452484.630011 13276881 16318497.2580106 1 19.9808033411058 2 586 "LCMSMS_1.mzML" 0.464383913270215 1111 344 342 49.3156656 271.077239990234 6.72298109366911 49.6800036 2 344 -"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 197 "LCMSMS_2.mzML" 1 298 363 360 51.4450368 272.171234130859 1.68120319899846 51.9020142 1 363 -"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 197 "LCMSMS_2.mzML" 1 357 434 432 60.634806 272.171203613281 1.56907661982964 60.991638 1 434 -"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 587 "LCMSMS_1.mzML" 1 1122 357 354 50.8435338 272.171264648438 1.80054914060759 51.2832498 2 357 -"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 587 "LCMSMS_1.mzML" 1 1182 429 426 60.003786 272.171234130859 1.68842256062929 60.452634 2 429 -"306" 274.175657429697 274.139251708984 274.186462402344 93.504684 82.686066 106.37445 46485062.873091 155509508.589415 5996150.5 10323698.473723 1 18.1961330730785 1 200 "LCMSMS_2.mzML" 1 550 665 660 89.6403 274.175598144531 0.216230596064992 90.289284 1 665 -"306" 274.175657429697 274.139251708984 274.186462402344 93.504684 82.686066 106.37445 46485062.873091 155509508.589415 5996150.5 10323698.473723 1 18.1961330730785 1 200 "LCMSMS_2.mzML" 1 607 734 732 99.103422 274.175750732422 0.340302730253833 99.467778 1 734 -"306" 274.175695323971 274.138824462891 274.237060546875 93.704046 82.86993 106.573314 47001277.2715991 156764462.076571 5875322 10450699.6794718 1 17.8387881927618 2 590 "LCMSMS_1.mzML" 1 1378 664 660 89.831544 274.175689697266 0.0205222623825999 90.383274 2 664 -"306" 274.175695323971 274.138824462891 274.237060546875 93.704046 82.86993 106.573314 47001277.2715991 156764462.076571 5875322 10450699.6794718 1 17.8387881927618 2 590 "LCMSMS_1.mzML" 1 1435 733 732 99.309546 274.175811767578 0.424704337136951 99.580056 2 733 -"311" 277.102858679325 277.067169189453 277.179595947266 34.0415226 21.199029 46.161033 145469607.640438 586781142.338738 35585992 36637018.0603241 1 25.30055717014 1 203 "LCMSMS_2.mzML" 0.965585674421809 164 202 198 30.8096568 277.102722167969 0.492637848722549 31.446861 1 202 -"311" 277.102718525598 277.066925048828 277.179565429688 34.9703976 21.262644 46.2952926 154311114.038569 624608301.510316 39081676 39036937.6446583 1 25.609683649148 2 593 "LCMSMS_1.mzML" 0.974484398953352 994 203 198 30.952131 277.102691650391 0.0969864432466537 31.68024 2 203 -"311" 277.102718525598 277.066925048828 277.179565429688 34.9703976 21.262644 46.2952926 154311114.038569 624608301.510316 39081676 39036937.6446583 1 25.609683649148 2 593 "LCMSMS_1.mzML" 1 998 208 204 31.850268 277.102661132812 0.207117366131053 32.40411 2 208 -"313" 279.103270568746 279.096771240234 279.137176513672 63.683916 49.9356528 76.520544 53051360.1208322 168982326.555012 10309156 10317859.4783169 1 16.3880204600579 1 205 "LCMSMS_2.mzML" 0.932463457686767 367 446 444 62.153292 279.100494384766 9.94679845538537 62.517522 1 446 -"315" 280.048703311343 280.047973632812 280.049285888672 70.461672 58.3416642 82.686066 17916185.611229 71653387.2778775 4228704 4780699.57093132 1 14.9802846911842 1 206 "LCMSMS_2.mzML" 0.958445527217673 433 525 522 72.006432 280.048767089844 0.227740748164162 72.465522 1 525 -"315" 280.048708274226 280.040130615234 280.048828125 70.627524 58.478901 82.86993 18771009.8164162 75191218.2698408 4342784.5 5011879.8420823 1 14.1923816087802 2 596 "LCMSMS_1.mzML" 1 1254 515 510 70.627524 280.048767089844 0.21001924459186 71.27514 2 515 -"320" 281.15252384442 281.152374267578 281.174072265625 75.040038 62.924034 87.323322 14877316.1398348 60199843.0812096 3414390 3998688.59012118 1 20.1741281646815 1 210 "LCMSMS_2.mzML" 0.637453324904029 453 549 546 75.040038 281.152435302734 0.314924027932607 75.479766 1 549 -"320" 281.152589677454 281.152191162109 281.247344970703 75.21942 63.078168 87.51981 14853465.643065 59992866.9907002 3424272.25 3981827.62534965 1 20.6264003919726 2 600 "LCMSMS_1.mzML" 0.620907418370238 1283 550 546 75.21942 281.152526855469 0.223444446909704 75.752772 2 550 -"329" 285.083759240311 285.082397460938 285.178070068359 83.441172 71.233434 95.851296 390490237.708939 1529715401.18675 44184352 97909689.0812682 1 30.959424539331 1 215 "LCMSMS_2.mzML" 1 475 575 570 78.035046 285.082427978516 4.66972162369016 78.680652 1 575 -"329" 285.083691713531 285.082397460938 285.178131103516 83.64567 71.396808 96.932814 403482136.295202 1573070556.39993 45329896 100025963.808078 1 30.6434819028738 2 604 "LCMSMS_1.mzML" 1 1304 575 570 78.227304 285.082458496094 4.32580843206702 78.872766 2 575 -"329" 285.083691713531 285.082397460938 285.178131103516 83.64567 71.396808 96.932814 403482136.295202 1573070556.39993 45329896 100025963.808078 1 30.6434819028738 2 604 "LCMSMS_1.mzML" 1 1360 643 642 87.51981 285.08251953125 4.11171285934892 87.790416 2 643 -"332" 287.052049791825 286.954528808594 287.134643554688 43.1829192 32.492523 54.5086626 26752158.9251992 72095538.7563538 5547312 5178418.18928124 1 10.214758777309 1 218 "LCMSMS_2.mzML" 0.954730218466491 257 314 312 45.3966672 287.051239013672 2.82449873970901 45.7610238 1 314 -"346" 292.194651731624 292.051391601562 292.197937011719 44.7995376 32.6425146 56.9384052 170266092.005698 698188745.37295 49955152 46318764.2981038 1 24.0331437137171 2 613 "LCMSMS_1.mzML" 1 1079 305 300 44.0806488 292.197509765625 9.78126732989025 44.6793558 2 305 -"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 1 515 623 618 84.215802 294.154174804688 0.638234700161588 84.862908 1 623 -"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 1 571 691 690 93.504684 294.154296875 0.223247441620917 93.775182 1 691 -"350" 294.154362544209 294.154113769531 294.206512451172 92.725812 79.585674 106.37445 95298786.9168568 334755827.580552 9309590 19760790.1373109 1 24.2196167180934 1 227 "LCMSMS_2.mzML" 0.833165267819786 630 761 756 102.298554 294.154266357422 0.326994256256085 102.94539 1 761 -"350" 294.144197247402 294.141693115234 294.144409179688 126.956946 114.406068 134.058318 74791859.4829492 276332748.642061 13587920 19443171.1005083 1 20.4361509926574 1 226 "LCMSMS_2.mzML" 1 760 917 912 123.12582 294.144256591797 0.201752728809333 123.772038 1 917 -"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 1 1343 622 618 84.41529 294.154235839844 0.475188001900272 84.967014 2 622 -"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 1 1400 691 690 93.704046 294.154266357422 0.371441191876333 93.974586 2 691 -"350" 294.154375618474 294.154174804688 294.206298828125 92.927058 79.776168 106.573314 97993526.9858498 345862711.217038 9638279 20499901.3045739 1 24.6277452616774 2 616 "LCMSMS_1.mzML" 0.850497451092607 1456 758 756 102.499182 294.154327392578 0.163947571828457 102.863394 2 758 -"350" 294.144151612685 294.141845703125 294.144378662109 127.214454 114.599184 134.305698 74643069.3176933 277438125.15485 13432314 19392950.4202136 1 20.1202530214394 2 615 "LCMSMS_1.mzML" 1 1588 916 912 123.399822 294.144195556641 0.149395984903466 123.951648 2 916 -"353" 295.128370886131 295.095062255859 295.157745361328 76.520544 65.179668 86.547678 81211019.0210362 223762643.2396 19743780 16372542.5660009 1 12.7579145898773 1 229 "LCMSMS_2.mzML" 1 460 557 552 75.78993 295.128387451172 0.056128254887318 76.39776 1 557 -"353" 295.128482680347 295.095001220703 295.163787841797 76.72203 65.376156 87.51981 84731667.8795457 232979062.8185 19277230 17069801.5923534 1 13.1325072983287 2 618 "LCMSMS_1.mzML" 1 1293 562 558 76.72203 295.128326416016 0.529478992923054 77.255502 2 562 -"354" 296.065756003644 296.008972167969 296.121368408203 42.4292958 30.8096568 55.2769038 391538527.175353 1575613858.53607 103989304 103657911.628982 1 27.6290229577621 1 230 "LCMSMS_2.mzML" 0.991074617443331 220 269 264 39.4231566 296.065826416016 0.237826802219376 40.0657608 1 269 -"354" 296.065756003644 296.008972167969 296.121368408203 42.4292958 30.8096568 55.2769038 391538527.175353 1575613858.53607 103989304 103657911.628982 1 27.6290229577621 1 230 "LCMSMS_2.mzML" 0.917156248384445 276 337 336 48.4095336 296.065551757812 0.689866446849321 48.6800628 1 337 -"354" 296.065834822195 296.009124755859 296.121368408203 43.3414116 30.952131 55.4140188 384417799.756323 1544080053.52523 103542944 101820793.773478 1 28.1168637764671 2 619 "LCMSMS_1.mzML" 0.977842864059801 1048 268 264 39.5655336 296.065826416016 0.0283929406896426 40.1152386 2 268 -"354" 296.065834822195 296.009124755859 296.121368408203 43.3414116 30.952131 55.4140188 384417799.756323 1544080053.52523 103542944 101820793.773478 1 28.1168637764671 2 619 "LCMSMS_1.mzML" 0.86254202820422 1106 338 336 48.5632728 296.065582275391 0.853008942554973 48.927525 2 338 -"369" 302.170645577843 302.17041015625 302.170806884766 88.866054 73.529172 103.100934 42005813.0978138 124570099.437831 2161985 6865011.89456032 1 16.422059216192 1 237 "LCMSMS_2.mzML" 1 538 651 648 88.089936 302.170684814453 0.129849178397445 88.55001 1 651 -"369" 302.170645577843 302.17041015625 302.170806884766 88.866054 73.529172 103.100934 42005813.0978138 124570099.437831 2161985 6865011.89456032 1 16.422059216192 1 237 "LCMSMS_2.mzML" 1 595 719 714 96.726306 302.170715332031 0.230843694481696 97.37202 1 719 -"369" 302.170639215688 302.170471191406 302.170837402344 89.058666 73.692786 103.302792 44152740.1129039 130516847.797182 2228511.75 7158259.96539078 1 15.7724652331788 2 626 "LCMSMS_1.mzML" 1 1373 658 654 89.058666 302.170593261719 0.152079531417791 89.615262 2 658 -"369" 302.170639215688 302.170471191406 302.170837402344 89.058666 73.692786 103.302792 44152740.1129039 130516847.797182 2228511.75 7158259.96539078 1 15.7724652331788 2 626 "LCMSMS_1.mzML" 1 1432 729 726 98.516814 302.170745849609 0.352893059635583 98.97489 2 729 -"373" 303.165091499144 303.094573974609 303.165954589844 61.39704 48.4095336 73.529172 103807848.197766 329970229.504778 12737476 21188246.1034765 1 14.4351907808117 1 239 "LCMSMS_2.mzML" 1 345 419 414 58.3416642 303.165832519531 2.44428005641968 58.986255 1 419 -"373" 303.165091499144 303.094573974609 303.165954589844 61.39704 48.4095336 73.529172 103807848.197766 329970229.504778 12737476 21188246.1034765 1 14.4351907808117 1 239 "LCMSMS_2.mzML" 1 403 489 486 67.47903 303.165802001953 2.34361682380905 67.937004 1 489 -"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.432061153193625 640 773 768 103.89993 303.094818115234 5.15147063834845 104.546778 1 773 -"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.462196855804655 642 776 774 104.697678 303.094818115234 5.15147063834845 105.06204 1 776 -"373" 303.093256739222 302.960327148438 303.131225585938 105.491046 92.725812 119.982204 19455595.3614144 60694198.6939657 3306629 3627311.11989941 1 13.5702425962002 1 238 "LCMSMS_2.mzML" 0.501917688567097 647 782 780 105.491046 303.0947265625 4.84940936730615 105.940902 1 782 -"373" 303.165173950139 303.094573974609 303.165924072266 61.541034 48.5632728 73.692786 105516077.576669 335184775.802581 13435952 21538205.1865512 1 15.5391777232997 2 628 "LCMSMS_1.mzML" 1 1176 422 420 59.2511508 303.165893554688 2.37363856485134 59.6153886 2 422 -"373" 303.0935043503 302.960144042969 303.131256103516 106.573314 92.927058 120.16695 19249352.6008139 61208306.3768512 3236424.5 3692449.07508445 1 13.9921603600895 2 627 "LCMSMS_1.mzML" 0.471553873057289 1474 779 774 104.89992 303.094757080078 4.13314623929914 105.544524 2 779 -"379" 306.165343359271 306.06103515625 306.213012695312 60.634806 46.161033 72.774312 36600545.6318729 108090728.78972 4446653 6816835.56164917 1 12.4462615141952 1 240 "LCMSMS_2.mzML" 1 373 453 450 62.924034 306.165435791016 0.301901395845472 63.36927 1 453 -"379" 306.165842675626 306.061004638672 306.213134765625 60.766158 46.2952926 72.943668 37548935.0549396 109642616.014956 4414727.5 6871656.61167438 1 12.0218953801312 2 629 "LCMSMS_1.mzML" 1 1188 436 432 60.766158 306.165435791016 1.32896801008782 61.320012 2 436 -"381" 307.065221870812 307.064056396484 307.169128417969 83.441172 71.233434 95.851296 78574866.5101825 293271085.609162 9362117 19081528.0813003 1 23.4910219491376 1 242 "LCMSMS_2.mzML" 1 495 599 594 81.162672 307.064361572266 2.80168018140163 81.801528 1 599 -"381" 307.065169833815 307.063385009766 307.169067382812 84.41529 72.171048 96.932814 78681676.5042767 294895222.314072 9072029 19080166.5155122 1 22.897889728418 2 631 "LCMSMS_1.mzML" 1 1322 597 594 81.344292 307.064361572266 2.63221501147223 81.801648 2 597 -"390" 310.136154574354 310.094848632812 310.139251708984 64.427298 52.214286 76.520544 44104606.2705919 144052622.377804 7909532.5 9388008.67555042 1 14.59502153435 1 248 "LCMSMS_2.mzML" 0.94388036072062 365 443 438 61.39704 310.139099121094 9.49436786473756 62.027772 1 443 -"390" 310.173263964048 310.150390625 310.175689697266 99.89805 87.323322 111.9768 25173738.5677415 93624006.971868 4346344 6025361.77354898 1 21.558563485774 1 249 "LCMSMS_2.mzML" 1 600 725 720 97.518552 310.173309326172 0.146247692671587 98.164152 1 725 -"390" 310.173266651277 310.150115966797 310.175750732422 100.10529 87.51981 112.174302 24630837.8835849 91209841.2668348 4351755.5 5878351.8717454 1 20.1803526416102 2 638 "LCMSMS_1.mzML" 1 1429 725 720 97.724058 310.173309326172 0.137584052624711 98.36952 2 725 -"391" 311.123379951208 311.123016357422 311.142364501953 60.634806 46.926273 72.774312 98444541.2409738 348975443.909799 14418379 21226552.2742303 1 23.1925416502974 1 250 "LCMSMS_2.mzML" 1 313 381 378 53.7376638 311.123199462891 0.580118141553539 54.1956378 1 381 -"391" 311.123379951208 311.123016357422 311.142364501953 60.634806 46.926273 72.774312 98444541.2409738 348975443.909799 14418379 21226552.2742303 1 23.1925416502974 1 250 "LCMSMS_2.mzML" 0.91523007796229 372 452 450 62.924034 311.123229980469 0.482029794320406 63.275268 1 452 -"391" 311.123400403986 311.123168945312 311.154296875 60.766158 47.0589156 72.943668 99065306.7108134 349788861.441224 15152226 21428403.8316678 1 22.758429819726 2 639 "LCMSMS_1.mzML" 1 1153 394 390 55.4140188 311.123321533203 0.253503216085366 55.946496 2 394 -"391" 311.123400403986 311.123168945312 311.154296875 60.766158 47.0589156 72.943668 99065306.7108134 349788861.441224 15152226 21428403.8316678 1 22.758429819726 2 639 "LCMSMS_1.mzML" 0.916979906668476 1211 464 462 64.605414 311.123321533203 0.253503216085366 64.969764 2 464 -"397" 313.174482616203 313.113555908203 313.176605224609 70.461672 58.3416642 82.686066 76735438.3950883 296085627.94992 14535441 19468804.5122119 1 27.9940860674876 1 253 "LCMSMS_2.mzML" 1 414 502 498 68.984166 313.175231933594 2.39265148591576 69.505398 1 502 -"397" 313.174538907599 313.114074707031 313.176544189453 70.627524 58.478901 82.86993 78807612.8969526 304563676.558895 14610366 20027259.4823964 1 27.9435164712427 2 642 "LCMSMS_1.mzML" 1 1245 505 504 69.864534 313.175262451172 2.3103524816173 70.135176 2 505 -"407" 317.178762768594 317.101623535156 317.181671142578 69.154026 56.1655458 82.86993 59705672.8641921 143145768.151474 6425961.5 8610200.94271831 1 10.1578079460769 2 646 "LCMSMS_1.mzML" 1 1227 483 480 66.865908 317.181549072266 8.78464764455319 67.324002 2 483 -"407" 317.178762768594 317.101623535156 317.181671142578 69.154026 56.1655458 82.86993 59705672.8641921 143145768.151474 6425961.5 8610200.94271831 1 10.1578079460769 2 646 "LCMSMS_1.mzML" 0.964231982573396 1312 585 582 79.776168 317.181579589844 8.88086334909349 80.235144 2 585 -"415" 320.180476490627 320.092437744141 320.181243896484 62.924034 50.6971758 75.78993 88694492.5766606 254051206.869469 8591997 16485122.5970052 1 11.0208834722209 1 260 "LCMSMS_2.mzML" 1 376 457 456 63.683916 320.181091308594 1.92022316279576 63.954426 1 457 -"415" 320.180476490627 320.092437744141 320.181243896484 62.924034 50.6971758 75.78993 88694492.5766606 254051206.869469 8591997 16485122.5970052 1 11.0208834722209 1 260 "LCMSMS_2.mzML" 0.984477522818426 431 523 522 72.006432 320.181030273438 1.72959581125021 72.277038 1 523 -"415" 320.180703349782 320.092681884766 320.181243896484 63.078168 50.8435338 75.972048 90433506.8265123 259008963.055609 8997821 16789150.1953663 1 11.0853747953043 2 649 "LCMSMS_1.mzML" 1 1205 457 456 63.848922 320.181121826172 1.3070006582982 64.119528 2 457 -"415" 320.180703349782 320.092681884766 320.181243896484 63.078168 50.8435338 75.972048 90433506.8265123 259008963.055609 8997821 16789150.1953663 1 11.0853747953043 2 649 "LCMSMS_1.mzML" 0.976040118953191 1260 523 522 72.171048 320.181060791016 1.11637344181876 72.44154 2 523 -"423" 323.038522617119 323.022125244141 323.132904052734 83.441172 71.233434 96.726306 87743819.4793446 342421900.463912 10586290 21986067.5449416 1 28.0424948973467 1 263 "LCMSMS_2.mzML" 1 492 596 594 81.162672 323.038360595703 0.501554472309746 81.527142 1 596 -"423" 323.038732142937 323.022186279297 323.132293701172 84.41529 72.171048 96.932814 89310519.3655104 347527122.585686 10342424 22259553.9386873 1 28.5452527322577 2 652 "LCMSMS_1.mzML" 1 1317 591 588 80.555406 323.038360595703 1.1501631131821 81.046518 2 591 -"423" 323.038732142937 323.022186279297 323.132293701172 84.41529 72.171048 96.932814 89310519.3655104 347527122.585686 10342424 22259553.9386873 1 28.5452527322577 2 652 "LCMSMS_1.mzML" 0.851477476454502 1377 663 660 89.831544 323.038269042969 1.43357412636825 90.289524 2 663 -"429" 326.147406045903 326.122863769531 326.168548583984 97.724058 82.86993 111.361812 56772818.9351875 165182833.310301 7287107.5 9586008.12852117 1 11.45928592514 2 655 "LCMSMS_1.mzML" 0.856518287935059 1460 763 762 103.302792 326.147247314453 0.486686224002945 103.573326 2 763 -"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 0.899207292832854 332 404 402 56.7980382 332.181243896484 0.272975971635208 57.1632618 1 404 -"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 0.935320554200291 393 477 474 65.949288 332.181060791016 0.824197397079887 66.40827 1 477 -"443" 332.181334574007 332.180938720703 332.192291259766 65.949288 51.4450368 81.93093 78111304.2394435 214811491.011178 4077983.75 11255339.9443023 1 11.9662133655486 1 273 "LCMSMS_2.mzML" 1 478 579 576 78.808182 332.181030273438 0.916067634654 79.266258 1 579 -"443" 332.100298973136 332.0048828125 332.145355224609 127.720194 116.011194 134.058318 12861757.0433362 37362918.2197274 2113320.25 2865031.21485027 1 11.8140956289705 1 272 "LCMSMS_2.mzML" 1 777 938 936 126.186204 332.100189208984 0.330515065468827 126.551424 1 938 -"443" 332.18141273421 332.180999755859 332.192352294922 66.147648 52.3652958 82.86993 82815454.0616744 225287287.752257 4308527.5 11640149.938544 1 11.7951907118157 2 662 "LCMSMS_1.mzML" 0.921615672723452 1167 411 408 57.7060356 332.181213378906 0.600139852390469 58.1661168 2 411 -"443" 332.18141273421 332.180999755859 332.192352294922 66.147648 52.3652958 82.86993 82815454.0616744 225287287.752257 4308527.5 11640149.938544 1 11.7951907118157 2 662 "LCMSMS_1.mzML" 1 1307 579 576 78.998916 332.181121826172 0.875750500263337 79.457892 2 579 -"443" 332.10021472848 332.005249023438 332.144866943359 127.98057 116.198436 134.305698 12858246.6560856 37708457.8359112 2148441.75 2868791.0639978 1 12.2962127049817 2 661 "LCMSMS_1.mzML" 0.894705509786563 1601 932 930 125.668188 332.100311279297 0.290727957089558 126.03354 2 932 -"450" 334.138365714283 334.087738037109 334.143218994141 121.56708 108.763806 133.260468 36189941.2705567 141496113.925003 7646763.5 9001348.88293299 1 14.5492638171377 1 275 "LCMSMS_2.mzML" 1 730 881 876 118.391574 334.139282226562 2.74291243987516 119.039922 1 881 -"450" 334.138365714283 334.087738037109 334.143218994141 121.56708 108.763806 133.260468 36189941.2705567 141496113.925003 7646763.5 9001348.88293299 1 14.5492638171377 1 275 "LCMSMS_2.mzML" 1 744 898 894 120.773958 334.139251708984 2.65158028153481 121.326684 1 898 -"450" 334.138065762092 334.087768554688 334.143005371094 121.840812 108.961812 134.305698 35583305.2137211 138618399.283178 7802867 8799870.266109 1 14.6514086177019 2 664 "LCMSMS_1.mzML" 1 1558 880 876 118.583076 334.139343261719 3.82326875511859 119.135658 2 880 -"450" 334.138065762092 334.087768554688 334.143005371094 121.840812 108.961812 134.305698 35583305.2137211 138618399.283178 7802867 8799870.266109 1 14.6514086177019 2 664 "LCMSMS_1.mzML" 1 1574 899 894 120.962436 334.139221191406 3.45793979380559 121.693536 2 899 -"451" 335.071702758472 334.959289550781 335.127868652344 37.1197878 23.8289076 52.214286 59047325.8093013 199835648.999696 21831216 11703942.4017095 1 16.4685768965563 1 276 "LCMSMS_2.mzML" 0.621537115066523 203 249 246 37.1197878 335.073364257812 4.95863818582275 37.5783708 1 249 -"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 346 421 420 59.113914 347.192047119141 0.317974525834864 59.384421 1 421 -"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 401 487 486 67.47903 347.192077636719 0.40587281752108 67.749528 1 487 -"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 456 553 552 75.78993 347.19189453125 0.121516932596212 76.060428 1 553 -"479" 347.191936720949 347.163940429688 347.200439453125 78.035046 56.048412 91.18956 141479475.291894 335874119.345662 12934546 17264287.2499865 1 12.4704020090852 1 290 "LCMSMS_2.mzML" 1 511 619 618 84.215802 347.192138671875 0.58166940089351 84.486318 1 619 -"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1180 427 426 60.003786 347.192016601562 0.33489439733978 60.27441 2 427 -"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1235 493 492 68.393532 347.191955566406 0.159097795540679 68.66418 2 493 -"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1291 560 558 76.72203 347.192016601562 0.33489439733978 77.087274 2 560 -"479" 347.19190032894 347.164031982422 347.200408935547 78.227304 56.9384052 91.376562 145407963.780609 353998641.214011 14295194 18637064.4754655 1 10.2255295180132 2 680 "LCMSMS_1.mzML" 1 1350 631 630 85.969068 347.192047119141 0.422792698239331 86.239548 2 631 -"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 0.975884616575299 612 740 738 99.89805 352.062774658203 1.42366825689262 100.263402 1 740 -"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 1 666 805 804 108.763806 352.062713623047 1.59703242302873 109.034436 1 805 -"488" 352.063275879513 352.062561035156 352.149749755859 111.9768 97.518552 126.186204 73887814.6991879 242985004.381275 4295978.5 13709468.7907223 1 16.7950135178658 1 296 "LCMSMS_2.mzML" 1 722 872 870 117.599064 352.062683105469 1.68371450609679 117.964428 1 872 -"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1437 735 732 99.309546 352.062805175781 0.168675988963446 99.76851 2 735 -"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1491 800 798 108.159936 352.062713623047 0.0913706517830443 108.52554 2 800 -"488" 352.062745791249 352.062316894531 352.062835693359 112.983072 98.516814 126.441198 74676607.5645286 247544833.511021 4452638.5 14002164.074885 1 16.2910612892502 2 686 "LCMSMS_1.mzML" 1 1546 866 864 116.993448 352.062805175781 0.168675988963446 117.358662 2 866 -"513" 361.138129803043 360.993988037109 361.142669677734 70.627524 58.478901 82.10931 24333693.6193136 93371898.8980818 4500519.5 6277266.26403401 1 20.9450523373 2 693 "LCMSMS_1.mzML" 0.592554159471957 1253 514 510 70.627524 361.138793945312 1.83902560996564 71.181378 2 514 -"515" 362.191525584631 362.191345214844 362.19189453125 64.427298 51.4450368 78.808182 46335006.8213046 151295737.520802 4757333.5 8809476.27512898 1 14.0444009128188 1 304 "LCMSMS_2.mzML" 1 368 447 444 62.153292 362.191528320312 0.00755313504619498 62.61225 1 447 -"515" 362.191552337749 362.191314697266 362.191864013672 64.605414 51.5947758 79.776168 48061018.4866142 153926579.58099 4969405 8914278.88187661 1 14.1470112033174 2 694 "LCMSMS_1.mzML" 1 1189 437 432 60.766158 362.191558837891 0.0179466965002571 61.414758 2 437 -"518" 363.156167686281 363.154113769531 363.196746826172 69.717042 57.5697876 81.93093 107110160.13601 424241970.342704 28697960 28264027.3015988 1 22.6592311574667 1 306 "LCMSMS_2.mzML" 1 417 506 504 69.717042 363.154388427734 4.89943089081096 70.063068 1 506 -"518" 363.156117037576 363.154357910156 363.1962890625 69.864534 57.7060356 82.10931 111988706.238804 451567587.495305 28960230 29894834.9664104 1 22.7744272591357 2 696 "LCMSMS_1.mzML" 1 1243 502 498 69.154026 363.154418945312 4.67592912327222 69.668256 2 502 -"537" 369.150928816373 369.088226318359 369.153656005859 118.583076 107.36631 131.148558 19157121.0997677 56944430.7037858 3194004.25 3808722.83258924 1 10.0398908680149 2 703 "LCMSMS_1.mzML" 1 1538 856 852 115.397934 369.153167724609 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417.20974572592 417.180267333984 417.270477294922 77.474424 63.078168 90.601068 22432349.3141121 70724089.6672141 3082974.5 4244826.29946209 1 15.3985991353603 2 738 "LCMSMS_1.mzML" 0.966905196225588 1287 555 552 75.972048 417.208648681641 2.62947903399125 76.431138 2 555 -"661" 422.245503008018 422.157257080078 422.249267578125 77.267322 65.949288 88.866054 10333015.7024962 30740971.7675276 2424521.75 2137515.17548767 1 10.3847029008525 1 352 "LCMSMS_2.mzML" 1 463 561 558 76.520544 422.2490234375 8.3373995861275 76.978776 1 561 -"661" 422.244810933483 422.158081054688 422.249237060547 77.474424 66.147648 89.058666 11115750.8073536 33995699.5385793 2324010.5 2355686.78659603 1 11.3796921243798 2 743 "LCMSMS_1.mzML" 1 1294 563 558 76.72203 422.248962402344 9.83190024582168 77.350272 2 563 -"664" 423.190755443941 423.185028076172 423.252838134766 84.215802 71.233434 96.726306 24488952.9054385 82361775.9459416 4074453.5 5092906.67197299 1 19.1024932587002 1 354 "LCMSMS_2.mzML" 1 514 622 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"LCMSMS_2.mzML" 9 1 384 466 462 64.427298 112.050704956055 0.55162878935702 64.958766 1 466 +"12" 112.05085569128 112.050621032715 112.120460510254 67.634034 55.4140188 80.555406 36139265.8017591 133395720.51942 7426335.5 8522973.08164079 1 20.3803986860233 2 "LCMSMS_1.mzML" 400 1 1218 472 468 65.376156 112.050743103027 1.00479600749392 65.928894 2 472 +"14" 113.03541992282 113.034698486328 113.059997558594 83.441172 72.006432 95.851296 88462324.9597518 348004137.88132 18599380 22772249.3980656 1 27.431622141047 1 "LCMSMS_2.mzML" 11 1 499 604 600 81.93093 113.034736633301 6.04491512630164 82.463394 1 604 +"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 "LCMSMS_1.mzML" 402 1 1321 596 594 81.344292 113.034736633301 5.61834418239318 81.70764 2 596 +"14" 113.035371704924 113.034713745117 113.059936523438 83.64567 72.171048 96.141564 92812020.095242 366177037.564437 20943314 23904502.6814248 1 27.9839052693883 2 "LCMSMS_1.mzML" 402 0.472133563046185 1380 667 666 90.601068 113.034713745117 5.8208310964319 90.871572 2 667 +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 "LCMSMS_2.mzML" 13 0.950632241095866 226 277 276 40.9547952 116.070838928223 1.7359353575902 41.2252842 1 277 +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 "LCMSMS_2.mzML" 13 1 281 343 342 49.182402 116.070831298828 1.67020474130592 49.452918 1 343 +"17" 116.070637437099 116.010871887207 116.070877075195 47.662548 35.592657 59.8657836 124086403.896805 465322432.631286 26501960 30360236.2301128 1 24.0791686953257 1 "LCMSMS_2.mzML" 13 1 337 410 408 57.5697876 116.070770263672 1.14435981103166 57.9341562 1 410 +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 "LCMSMS_1.mzML" 404 0.989376188689562 1055 277 276 41.0984136 116.070816040039 2.22463819204545 41.3688786 2 277 +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 "LCMSMS_1.mzML" 404 1 1110 343 342 49.3156656 116.070823669434 2.29036885341395 49.586265 2 343 +"17" 116.070557825043 116.010902404785 116.070907592773 47.814411 35.7440316 60.003786 130337063.119246 491415399.75458 27555850 32138223.0150013 1 24.6441102264885 2 "LCMSMS_1.mzML" 404 1 1165 409 408 57.7060356 116.070785522461 1.96171554657148 57.976677 2 409 +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 "LCMSMS_2.mzML" 27 1 391 475 474 65.949288 132.101821899414 0.0447061558976329 66.21981 1 475 +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 "LCMSMS_2.mzML" 27 1 446 541 540 74.297424 132.101867675781 0.301817188616646 74.567904 1 541 +"41" 132.101827805179 132.101791381836 132.10188293457 73.529172 61.39704 85.770306 2794252073.33772 10870343001.7354 432419872 700350921.737476 1 30.9237895882097 1 "LCMSMS_2.mzML" 27 1 501 607 606 82.686066 132.101852416992 0.186309407111886 82.956534 1 607 +"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 "LCMSMS_1.mzML" 419 1 1223 478 474 66.147648 132.101852416992 0.190663125216797 66.662874 2 478 +"41" 132.101827230045 132.101791381836 132.101928710938 73.692786 61.541034 85.969068 2879676651.25769 11246418620.7629 449625696 725219274.134578 1 31.3787225908562 2 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7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 "LCMSMS_1.mzML" 425 1 1577 903 900 121.840812 137.045669555664 0.751521765321877 122.29704 2 903 +"47" 137.045566562938 136.940063476562 137.045700073242 127.214454 114.599184 134.305698 1915210414.20602 7166794961.02732 329832000 497541013.247428 1 34.3761130337665 2 "LCMSMS_1.mzML" 425 1 1641 980 978 131.936568 137.045623779297 0.417498795184589 132.282558 2 980 +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 "LCMSMS_2.mzML" 36 0.478583762215561 265 323 318 46.161033 138.054763793945 0.385456784658412 46.8046212 1 323 +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 "LCMSMS_2.mzML" 36 0.926032123629646 270 329 324 46.926273 138.05485534668 1.04861948291394 47.539992 1 329 +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 "LCMSMS_2.mzML" 36 1 291 355 354 50.6971758 138.054748535156 0.27492966828249 50.9677686 1 355 +"48" 138.05471057982 138.052383422852 138.055068969727 50.6971758 38.6530368 62.924034 614475732.29169 2503538675.26591 138406064 165068126.157169 1 29.1085169494046 1 "LCMSMS_2.mzML" 36 0.982863487460479 347 422 420 59.113914 138.054809570312 0.717038133786177 59.477268 1 422 +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 "LCMSMS_1.mzML" 428 0.449226243412885 1094 323 318 46.2952926 138.054809570312 0.627452613468721 46.9377588 2 323 +"48" 138.054722947516 138.05241394043 138.055023193359 50.8435338 38.7940218 63.078168 631841301.098288 2571978291.93546 140431120 169764319.737575 1 29.2064090414621 2 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138.049011230469 126.441198 114.599184 134.305698 108751663.360006 405340993.012011 18617462 28101051.9066502 1 30.0539027494402 2 "LCMSMS_1.mzML" 427 0.796822033254558 1598 928 924 124.941198 138.048797607422 0.67522311432569 125.455416 2 928 +"51" 140.067802644286 140.001693725586 140.115173339844 46.161033 34.0415226 58.3416642 170011285.612119 677292518.463321 32451352 44271770.7647804 1 30.5218137136917 1 "LCMSMS_2.mzML" 38 1 236 289 288 42.4292958 140.068130493164 2.34064411904564 42.6998922 1 289 +"51" 140.06784640212 140.001708984375 140.070831298828 46.2952926 34.1913918 58.478901 174282446.190803 693996060.277404 31643056 45478430.4205372 1 30.1832371220605 2 "LCMSMS_1.mzML" 430 1 1078 304 300 44.0806488 140.068084716797 1.70142315424764 44.603985 2 304 +"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 "LCMSMS_2.mzML" 44 1 235 287 282 41.6846646 146.117492675781 0.668288238413146 42.3093822 1 287 +"62" 146.117395027245 146.059860229492 146.117706298828 46.161033 34.0415226 58.3416642 350065739.303727 1430162604.80913 80693104 94428602.6029855 1 33.7767431593175 1 "LCMSMS_2.mzML" 44 0.983625855342406 292 356 354 50.6971758 146.117309570312 0.584851189071573 51.0603918 1 356 +"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 "LCMSMS_1.mzML" 435 1 1084 311 306 44.7995376 146.117416381836 0.131094031138655 45.406614 2 311 +"62" 146.117397226717 146.059753417969 146.117523193359 46.2952926 34.1913918 58.478901 360505243.328733 1471239946.33743 77646192 97362749.5715012 1 33.2168018572526 2 "LCMSMS_1.mzML" 435 0.837758373655053 1140 379 378 53.9081688 146.117370605469 0.182190821016718 54.1786398 2 379 +"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 "LCMSMS_2.mzML" 45 0.933453799267343 412 500 498 68.984166 147.043823242188 0.179918260382272 69.347514 1 500 +"63" 147.043849698061 147.043823242188 147.044082641602 70.461672 58.3416642 82.686066 59873868.2933967 239668812.755738 11942972 15832587.122642 1 29.5481682756099 1 "LCMSMS_2.mzML" 45 0.932823700733781 415 503 498 68.984166 147.043853759766 0.0276224030842009 69.59589 1 503 +"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 "LCMSMS_1.mzML" 436 0.988002630523906 1239 497 492 68.393532 147.043838500977 0.101782193880233 69.033138 2 497 +"63" 147.043853467423 147.043792724609 147.044189453125 70.627524 58.478901 82.86993 61758656.3632741 246603023.759954 12443612 16291828.4445734 1 30.2777802208876 2 "LCMSMS_1.mzML" 436 0.980928808379244 1241 500 498 69.154026 147.043838500977 0.101782193880233 69.517518 2 500 +"66" 148.042683925669 148.039047241211 148.047088623047 64.427298 51.4450368 77.267322 54935005.6176214 205821097.687204 6768361.5 13161064.5222934 1 23.5355240524895 1 "LCMSMS_2.mzML" 47 1 359 436 432 60.634806 148.042587280273 0.652821154739326 61.178016 1 436 +"66" 148.042721958059 148.038986206055 148.047119140625 64.605414 52.3652958 77.474424 58447146.6341686 220334578.529236 8228312 14115433.6753709 1 23.8773430863274 2 "LCMSMS_1.mzML" 438 1 1194 443 438 61.541034 148.042556762695 1.1158627820936 62.184492 2 443 +"67" 149.026338801704 149.026229858398 149.026382446289 91.18956 78.808182 103.89993 1698958704.63737 6840419077.33234 349382368 436967869.633165 1 31.7357588758856 1 "LCMSMS_2.mzML" 49 0.840255867615411 605 731 726 98.311686 149.026306152344 0.219084497676219 98.956014 1 731 +"67" 149.026337703886 149.026229858398 149.026382446289 91.376562 78.998916 104.102922 1669137911.63194 6717727255.45554 353652704 429749452.797022 1 31.8010283688846 2 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489162028.86604 1955440482.1514 110502712 127675119.950593 1 32.3166012953219 2 "LCMSMS_1.mzML" 443 0.899887678060438 1250 511 510 70.627524 150.05810546875 0.517457685211921 70.898028 2 511 +"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 "LCMSMS_2.mzML" 56 1 490 593 588 80.361672 153.040512084961 1.36876674481465 81.033882 1 593 +"72" 153.040721562011 153.040328979492 153.127136230469 84.215802 71.233434 97.518552 378180516.546928 1464012428.05327 43489432 90324120.3805518 1 27.0389212210695 1 "LCMSMS_2.mzML" 56 1 548 663 660 89.6403 153.040344238281 2.46551196382807 90.100398 1 663 +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 "LCMSMS_1.mzML" 447 1 1318 592 588 80.555406 153.040512084961 1.42054480190384 81.122028 2 592 +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 "LCMSMS_1.mzML" 447 1 1375 661 660 89.831544 153.04035949707 2.41758585847294 90.102054 2 661 +"72" 153.040729486174 153.040313720703 153.127227783203 84.41529 72.171048 98.516814 392832685.737142 1503771745.57658 43307568 92667185.7719834 1 26.9622873990181 2 "LCMSMS_1.mzML" 447 1 1430 727 726 98.516814 153.040557861328 1.12143248493311 98.787414 2 727 +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 "LCMSMS_2.mzML" 59 0.672380618767158 247 302 300 43.9150368 156.076675415039 3.222597768605 44.278287 1 302 +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 "LCMSMS_2.mzML" 59 0.71122543687701 250 305 300 43.9150368 156.076675415039 3.222597768605 44.5133742 1 305 +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 "LCMSMS_2.mzML" 59 1 306 373 372 52.9810356 156.076614379883 2.83153771572103 53.2516788 1 373 +"75" 156.076172444314 156.026412963867 156.076797485352 47.662548 35.592657 62.153292 464536829.199627 1527695056.37191 54058324 95052219.9582988 1 19.4699191880937 1 "LCMSMS_2.mzML" 59 1 362 440 438 61.39704 156.076599121094 2.73377270250004 61.760394 1 440 +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 "LCMSMS_1.mzML" 450 0.689159500011442 1076 302 300 44.0806488 156.076690673828 2.9013587500534 44.445024 2 302 +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 "LCMSMS_1.mzML" 450 0.737802126994146 1080 307 306 44.7995376 156.076675415039 2.80359377779621 45.0700188 2 307 +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 "LCMSMS_1.mzML" 450 1 1136 374 372 53.1376686 156.076644897461 2.60806383328182 53.501001 2 374 +"75" 156.07623784067 156.026504516602 156.076812744141 48.5632728 36.4997796 62.309778 489345708.143109 1618269928.56375 57025944 100794751.690022 1 19.8260786354117 2 "LCMSMS_1.mzML" 450 1 1196 446 444 62.309778 156.076553344727 2.02147399973867 62.673012 2 446 +"77" 158.091194778484 158.01237487793 158.092437744141 43.9150368 31.7040216 56.7980382 45651083.5292649 158918716.937194 5473670 10103433.7061221 1 21.2526001663955 1 "LCMSMS_2.mzML" 61 0.899008484879181 225 275 270 40.1901702 158.092361450195 7.37973871940025 40.833891 1 275 +"77" 158.090977512596 157.992492675781 158.092468261719 44.0806488 31.850268 56.9384052 45829048.4233895 158954748.927492 4950029.5 10075169.186439 1 21.085999665894 2 "LCMSMS_1.mzML" 452 0.897284870200624 1058 280 276 41.0984136 158.092376708984 8.85057712168554 41.6124906 2 280 +"88" 164.929981664987 164.920303344727 165.048141479492 40.1901702 27.3304008 52.214286 45555104.4925582 184838312.743353 9348705 11881048.7967838 1 21.4391626539814 1 "LCMSMS_2.mzML" 67 0.918813676323213 210 257 252 37.8964158 164.930053710938 0.436827493730139 38.5225062 1 257 +"88" 164.930363340782 164.920318603516 165.000762939453 40.331784 27.436638 52.3652958 44606234.834488 181017913.491933 9182994 11636503.0263511 1 21.6820650392366 2 "LCMSMS_1.mzML" 459 0.927795470693746 1039 257 252 38.0417766 164.930099487305 1.59978715885581 38.6629848 2 257 +"89" 165.054460611227 165.054306030273 165.09098815918 70.461672 58.3416642 82.686066 157204927.610844 633134818.725802 31821408 41756665.6144017 1 31.7047589812144 1 "LCMSMS_2.mzML" 68 1 399 484 480 66.710418 165.054473876953 0.0803718152102289 67.258524 1 484 +"89" 165.054460611227 165.054306030273 165.09098815918 70.461672 58.3416642 82.686066 157204927.610844 633134818.725802 31821408 41756665.6144017 1 31.7047589812144 1 "LCMSMS_2.mzML" 68 1 458 555 552 75.78993 165.054412841797 0.289416168852581 76.24689 1 555 +"89" 165.054493582072 165.054382324219 165.091018676758 70.627524 58.478901 82.86993 157329282.103013 633950618.797678 31930138 41817543.0206629 1 31.9990026564801 2 "LCMSMS_1.mzML" 460 1 1233 490 486 67.634034 165.054458618164 0.211832509161606 68.179014 2 490 +"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 18.5362904930613 1 "LCMSMS_2.mzML" 72 1 317 386 384 54.5086626 170.092300415039 0.513202631121696 54.8720202 1 386 +"97" 170.092213123268 170.092147827148 170.092346191406 61.39704 47.662548 75.040038 267899037.578791 846450471.557467 26622692 51264780.9400775 1 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75.21942 273152224.186267 864038787.649619 26239910 52420066.2262864 1 18.6885917608649 2 "LCMSMS_1.mzML" 464 0.767818411875926 1267 531 528 72.943668 170.092163085938 0.330916576252497 73.38288 2 531 +"106" 178.057265428919 177.960739135742 178.058578491211 45.3966672 33.2788968 57.5697876 107208995.879736 426351769.726465 20264748 27837870.2038831 1 30.7664610327479 1 "LCMSMS_2.mzML" 79 1 242 296 294 43.1829192 178.058502197266 6.94590217257655 43.5352578 1 296 +"106" 178.057362357306 177.960906982422 178.107238769531 45.5280288 33.428391 57.7060356 109199679.276284 434620185.015327 20406868 28448042.0351455 1 30.2351177663392 2 "LCMSMS_1.mzML" 471 1 1073 298 294 43.3414116 178.058502197266 6.40153231546711 43.8788766 2 298 +"114" 182.080982868609 182.080917358398 182.102294921875 70.461672 58.3416642 82.686066 1563848744.77677 6414500163.81639 316817504 422520130.563081 1 34.0643344907297 1 "LCMSMS_2.mzML" 83 1 395 479 474 65.949288 182.080947875977 0.192181696457397 66.585882 1 479 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75.21942 182.080963134766 0.135208640850934 75.565278 2 548 +"114" 182.080987753689 182.080932617188 182.102233886719 70.627524 58.478901 82.86993 1571338150.50679 6442093660.10001 316859712 424398489.895829 1 34.3228062944107 2 "LCMSMS_1.mzML" 475 1 1289 557 552 75.972048 182.081008911133 0.116197987332698 76.599252 2 557 +"127" 189.123836918215 189.087127685547 189.134567260742 49.182402 38.6530368 59.113914 73014397.0673668 235281079.680687 13534067 17553807.2912804 2 10.0050527537283 1 "LCMSMS_2.mzML" 91 0.936195500849476 282 344 342 49.182402 189.123199462891 3.37057102490262 49.5321612 1 344 +"127" 189.123836741155 189.123138427734 189.134719848633 50.0837946 38.7940218 59.2511508 77454068.3063944 251989170.144413 14308037 18763393.7591957 2 10.3593904294032 2 "LCMSMS_1.mzML" 483 0.843596321889113 1101 332 330 47.814411 189.12321472168 3.28895334163321 48.177636 2 332 +"131" 191.041908724489 190.97705078125 191.102523803711 41.6846646 29.0840262 53.7376638 125724719.516083 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494 0.767260518462937 1074 299 294 43.3414116 200.040496826172 7.10220447261701 43.96086 2 299 +"150" 203.139004267186 203.138748168945 203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 "LCMSMS_2.mzML" 106 0.975098548089428 389 472 468 65.179668 203.138809204102 0.960244366979045 65.729394 1 472 +"150" 203.139004267186 203.138748168945 203.150161743164 72.006432 59.113914 85.770306 290835070.887641 924223363.22787 33622600 56200495.7296911 1 17.0597475284783 1 "LCMSMS_2.mzML" 106 1 447 542 540 74.297424 203.13883972168 0.810014339835363 74.643408 1 542 +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 "LCMSMS_1.mzML" 498 0.987995155912351 1219 473 468 65.376156 203.138854980469 0.688929364761007 66.021636 2 473 +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 "LCMSMS_1.mzML" 498 1 1275 541 540 74.45592 203.138793945312 0.989389432860519 74.726424 2 541 +"150" 203.138994928887 203.138748168945 203.150207519531 72.171048 59.2511508 85.969068 296972326.574751 941965934.990214 33689112 57217251.4322597 1 17.0050199465989 2 "LCMSMS_1.mzML" 498 0.750231617684845 1330 607 606 82.86993 203.138854980469 0.688929364761007 83.14053 2 607 +"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 "LCMSMS_2.mzML" 107 0.679733861324877 297 362 360 51.4450368 204.122802734375 7.13966357500352 51.8082648 1 362 +"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 "LCMSMS_2.mzML" 107 1 305 371 366 52.214286 204.122817993164 7.21441709494699 52.854519 1 371 +"152" 204.121345376641 204.062805175781 204.142074584961 56.7980382 44.6336652 68.984166 900844824.014622 3589722260.16611 181078368 231943927.040385 1 30.8700850688497 1 "LCMSMS_2.mzML" 107 0.949533862703207 363 441 438 61.39704 204.122848510742 7.36392413483392 61.840254 1 441 +"152" 204.121491500524 204.05583190918 204.142135620117 56.9384052 44.0806488 69.154026 945349158.533167 3774433902.84221 192277952 245432737.225034 1 31.3148658869282 2 "LCMSMS_1.mzML" 499 1 1141 380 378 53.9081688 204.122817993164 6.49854471623582 54.2541396 2 380 +"152" 204.121491500524 204.05583190918 204.142135620117 56.9384052 44.0806488 69.154026 945349158.533167 3774433902.84221 192277952 245432737.225034 1 31.3148658869282 2 "LCMSMS_1.mzML" 499 0.808846763694402 1202 453 450 63.078168 204.122863769531 6.72280511552544 63.534138 2 453 +"158" 207.015970241864 207.004974365234 207.130523681641 41.826645 30.0872718 53.9081688 31865281.7221108 104038647.916353 7626851.5 7159071.4962137 1 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89.6403 77.267322 102.298554 296926228.209568 1187869786.86911 57167692 76221287.9379987 1 30.4965862650654 1 "LCMSMS_2.mzML" 126 0.756767952399567 621 751 750 101.49993 218.138488769531 0.38858642125517 101.770446 1 751 +"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 "LCMSMS_1.mzML" 518 0.74813521899954 1337 615 612 83.64567 218.138366699219 0.0831858567062568 84.100632 2 615 +"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 "LCMSMS_1.mzML" 518 1 1395 685 684 92.927058 218.138458251953 0.336514392014067 93.19755 2 685 +"180" 218.138384845247 218.121490478516 218.138580322266 89.831544 77.474424 102.499182 299891546.678035 1198907213.64194 58212028 77126963.4346863 1 30.5394807896785 2 "LCMSMS_1.mzML" 518 0.75512635718691 1450 751 750 101.700294 218.13850402832 0.546364516374229 101.97081 2 751 +"182" 219.134537648256 219.133590698242 219.141830444336 84.215802 72.006432 95.067042 228560852.3732 549584698.602371 35684208 38358595.2669499 1 10.3205425760716 1 "LCMSMS_2.mzML" 128 0.974347865630473 494 598 594 81.162672 219.133682250977 3.90352560969656 81.707766 1 598 +"182" 219.134392971934 219.017486572266 219.141799926758 83.64567 72.171048 95.269182 237668711.346651 578769629.077717 38747760 40149538.2350155 1 10.6422119093857 2 "LCMSMS_1.mzML" 520 0.986868374160269 1324 599 594 81.344292 219.133697509766 3.17367875969659 81.98076 2 599 +"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 56478552 99415100.8647916 1 27.8243026859329 1 "LCMSMS_2.mzML" 138 1 234 286 282 41.6846646 227.113693237305 2.78152797684754 42.2166258 1 286 +"199" 227.11306151597 227.063278198242 227.113784790039 46.926273 34.8182742 59.8657836 411699235.802899 1549271537.23636 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229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 "LCMSMS_2.mzML" 142 0.881356832702374 655 791 786 106.37445 229.154418945312 0.123152220175066 107.01903 1 791 +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 "LCMSMS_2.mzML" 142 0.920867286893095 678 819 816 110.36505 229.154434204102 0.0565648628219979 110.821278 1 819 +"205" 229.154447166191 229.154312133789 229.154525756836 110.36505 94.284294 123.896694 134200862.588816 401365113.656841 15068271 22203236.922462 1 14.4446067244824 1 "LCMSMS_2.mzML" 142 1 731 883 882 119.18757 229.154479980469 0.143197209237207 119.458086 1 883 +"205" 229.154449268435 229.154312133789 229.154541015625 110.559792 95.269182 124.172436 136594249.670351 415648959.493502 15740821 22893882.9576004 1 14.4976132440909 2 "LCMSMS_1.mzML" 533 1 1453 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67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 "LCMSMS_2.mzML" 143 0.486337768381168 695 839 834 112.786446 230.138534545898 7.26737937648595 113.433918 1 839 +"206" 230.140207062093 230.095596313477 230.157791137695 116.806434 103.89993 129.271086 67716738.1646327 225634080.482977 12407130 14112946.2443414 1 12.0877451562893 1 "LCMSMS_2.mzML" 143 0.565414375466082 751 907 906 122.344698 230.138412475586 7.79779652548532 122.615214 1 907 +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 "LCMSMS_1.mzML" 534 0.391807383300426 1523 838 834 112.983072 230.13850402832 7.3013350219424 113.533644 2 838 +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 "LCMSMS_1.mzML" 534 0.623212375972271 1572 897 894 120.962436 230.138442993164 7.56654362260474 121.505028 2 897 +"206" 230.140184358908 230.095565795898 230.157760620117 116.993448 104.102922 129.525558 68937760.4585354 228603859.86356 12306523 14276101.9804141 1 11.9986423786368 2 "LCMSMS_1.mzML" 534 0.554670288641826 1575 901 900 121.840812 230.138442993164 7.56654362260474 122.111304 2 901 +"209" 231.169440223829 231.141708374023 231.170104980469 130.794318 118.391574 134.058318 148637539.112457 439297920.66514 27120750 38299876.1226009 1 30.3676899291214 1 "LCMSMS_2.mzML" 145 1 779 940 936 126.186204 231.169937133789 2.14954865844036 126.740928 1 940 +"209" 231.1694578533 231.141738891602 231.170074462891 131.148558 118.583076 134.305698 163151158.343899 484163165.256014 29294412 42055243.0047838 1 30.557814501113 2 "LCMSMS_1.mzML" 536 1 1608 940 936 126.441198 231.169860839844 1.74325167298274 126.99816 2 940 +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 "LCMSMS_2.mzML" 149 1 354 430 426 59.8657836 233.149276733398 0.304611521531101 60.41451 1 430 +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 "LCMSMS_2.mzML" 149 1 413 501 498 68.984166 233.149154663086 0.218960120613038 69.422898 1 501 +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 "LCMSMS_2.mzML" 149 1 471 571 570 78.035046 233.149139404297 0.284406575881055 78.305538 1 571 +"214" 233.149205713464 233.112808227539 233.149353027344 66.710418 54.5086626 93.504684 318789553.911219 700781702.247507 24828856 36633118.5455762 1 13.2495812737991 1 "LCMSMS_2.mzML" 149 0.94350103628384 527 638 636 86.547678 233.149337768555 0.56639734260317 86.911908 1 638 +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 "LCMSMS_1.mzML" 540 1 1183 430 426 60.003786 233.149291992188 0.69018353444396 60.54639 2 430 +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 "LCMSMS_1.mzML" 540 1 1244 503 498 69.154026 233.14924621582 0.493844105786682 69.74364 2 503 +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 "LCMSMS_1.mzML" 540 1 1300 571 570 78.227304 233.149185180664 0.232058200910312 78.49779 2 571 +"214" 233.149131076496 233.04150390625 233.149322509766 67.634034 54.6427758 93.704046 328102441.934711 721867800.0539 25694922 36994959.4750122 1 13.0379495102723 2 "LCMSMS_1.mzML" 540 0.926008456943044 1355 637 636 86.744814 233.14924621582 0.493844105786682 87.015312 2 637 +"234" 244.953385254716 244.896118164062 245.043228149414 40.9547952 28.2062742 52.9810356 16037222.3783712 64899256.6117073 3590265.25 4242185.37986366 1 12.6030181737188 1 "LCMSMS_2.mzML" 162 0.881349316806368 219 268 264 39.4231566 244.953887939453 2.05216489084812 39.972006 1 268 +"234" 244.953869913692 244.896194458008 245.030487060547 41.0984136 28.3160286 53.1376686 15496382.1927917 62791898.5729703 3460913.25 4097876.20121155 1 14.4994252113539 2 "LCMSMS_1.mzML" 553 0.923443194027494 1053 274 270 40.331784 244.953842163086 0.11328911160655 40.8834882 2 274 +"235" 245.07657810262 245.058502197266 245.113082885742 83.441172 71.233434 95.851296 130107908.671788 506813267.729398 28372734 33047728.9500919 1 24.1571487502111 1 "LCMSMS_2.mzML" 163 1 502 608 606 82.686066 245.076446533203 0.536850227266776 83.03208 1 608 +"235" 245.076612709839 245.045013427734 245.113418579102 83.64567 71.396808 96.141564 133327487.129729 519799854.462329 30575682 33749558.6230221 1 24.4576476339533 2 "LCMSMS_1.mzML" 554 1 1326 602 600 82.10931 245.076461791992 0.615798647494415 82.455288 2 602 +"238" 246.144917517526 246.144378662109 246.19221496582 56.048412 44.6336652 69.717042 148350049.60707 333143139.887778 13887742 21615823.5963323 1 10.4096882269271 1 "LCMSMS_2.mzML" 164 0.756803098694239 273 333 330 47.662548 246.14453125 1.56926874746986 48.1182612 1 333 +"238" 246.144952248507 246.144378662109 246.192169189453 56.1655458 44.7995376 69.864534 150762013.014634 333732277.248357 14014453 21754808.112732 1 10.2385155603447 2 "LCMSMS_1.mzML" 555 0.750716423305217 1102 333 330 47.814411 246.144577026367 1.52439502082907 48.2713692 2 333 +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 "LCMSMS_2.mzML" 165 0.821741670840677 269 328 324 46.926273 247.128524780273 0.0757397186380841 47.46063 1 328 +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 "LCMSMS_2.mzML" 165 0.938635147966783 314 382 378 53.7376638 247.128555297852 0.0477489633776442 54.289368 1 382 +"241" 247.12854349772 247.128021240234 247.147720336914 62.924034 46.161033 76.520544 186718983.225859 543409637.353309 22974248 29857098.1514643 1 17.754422227286 1 "LCMSMS_2.mzML" 165 0.857111083112714 374 454 450 62.924034 247.128494262695 0.199228400653812 63.463008 1 454 +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 "LCMSMS_1.mzML" 556 0.814422484596901 1098 328 324 47.0589156 247.128570556641 0.0207233699446665 47.594502 2 328 +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 "LCMSMS_1.mzML" 556 0.888295194342072 1146 386 384 54.6427758 247.12841796875 0.638166699621889 55.007136 2 386 +"241" 247.128575677978 247.128280639648 247.147811889648 63.078168 46.2952926 76.72203 189794217.078864 544626514.394032 22367226 29464768.2391851 1 17.2907539558148 2 "LCMSMS_1.mzML" 556 0.981696979641786 1209 461 456 63.848922 247.128540039062 0.144212035880111 64.478262 2 461 +"246" 249.094795122248 248.998840332031 249.108001708984 43.9150368 31.7040216 56.7980382 181288728.896844 694915682.737233 30663236 43807350.0510286 1 23.5096840518923 1 "LCMSMS_2.mzML" 167 0.974841450728785 238 291 288 42.4292958 249.095626831055 3.33892486946568 42.87426 1 291 +"246" 249.094786329156 248.99885559082 249.108108520508 44.0806488 31.850268 56.9384052 188342757.475762 722605329.15557 31173768 45742421.0002743 1 23.6562441549647 2 "LCMSMS_1.mzML" 558 0.972305308606495 1063 286 282 41.826645 249.095642089844 3.43548213316374 42.3608646 2 286 +"254" 253.152010413701 253.151672363281 253.179840087891 130.794318 119.18757 134.058318 26945261.0609135 75957155.4407699 5148614 7002890.33519098 1 23.4753344450044 1 "LCMSMS_2.mzML" 173 0.90027841033975 792 956 954 128.497464 253.151809692383 0.792888502700217 128.861796 1 956 +"254" 253.152005957588 253.151718139648 253.17985534668 131.148558 118.583076 134.305698 26724378.1672575 76291898.3275723 4978996.5 6914639.34797795 1 22.6485160038881 2 "LCMSMS_1.mzML" 564 0.937362849422515 1622 957 954 128.75019 253.151733398438 1.07666202029397 129.21015 2 957 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.847235770572558 349 424 420 59.113914 260.160125732422 0.66079949927416 59.6453988 1 424 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.924330695607273 383 465 462 64.427298 260.160003662109 0.19158696018755 64.867014 1 465 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.914064038327345 407 494 492 68.244408 260.160034179688 0.308890094959202 68.608668 1 494 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.841126437434894 441 535 534 73.529172 260.160125732422 0.66079949927416 73.799652 1 535 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.55749869514057 468 567 564 77.267322 260.160034179688 0.308890094959202 77.726148 1 567 +"268" 260.159953818855 260.123596191406 260.16015625 64.427298 51.4450368 81.93093 320548464.758472 960174798.236189 29805776 53973104.7180472 1 16.7829371574389 1 "LCMSMS_2.mzML" 182 0.946893122380285 496 601 600 81.93093 260.160095214844 0.543496364502507 82.20144 1 601 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.821830289582688 1163 406 402 56.9384052 260.16015625 0.840402113981948 57.4883808 2 406 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.851588855173982 1178 424 420 59.2511508 260.160125732422 0.723098971902377 59.783622 2 424 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.933128174347517 1222 477 474 66.147648 260.160064697266 0.488492687743234 66.587394 2 477 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.903572450801527 1238 496 492 68.393532 260.160064697266 0.488492687743234 68.940384 2 496 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.690560642146632 1282 549 546 75.21942 260.160034179688 0.371189545663663 75.659004 2 549 +"268" 260.159937611038 260.123565673828 260.16015625 64.605414 51.5947758 82.10931 330076712.097276 984632402.645578 30945970 54743264.9288749 1 16.4669441994783 2 "LCMSMS_1.mzML" 572 0.546970369281507 1296 566 564 77.474424 260.159973144531 0.136583261504521 77.83902 2 566 +"278" 263.194464580713 263.105407714844 263.196166992188 74.297424 62.924034 85.770306 119933218.572382 405163218.56135 25959554 28271834.5936298 1 18.3735788635792 1 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53.7376638 53634416.7438183 215675430.907926 13946139 14247890.3566914 1 23.810466331062 1 "LCMSMS_2.mzML" 193 1 229 280 276 40.9547952 268.998260498047 1.98729358071083 41.4698838 1 280 +"298" 268.99755266196 268.950531005859 269.018218994141 42.5736636 30.0872718 53.9081688 51889370.7166119 208230251.154206 13217159 13748008.6520212 1 24.9127538007046 2 "LCMSMS_1.mzML" 583 0.916804554552295 1052 273 270 40.331784 268.998291015625 2.74483413429186 40.7897508 2 273 +"301" 271.074857250183 270.95654296875 271.103546142578 43.1829192 30.8096568 55.2769038 64515333.1129028 239868774.915776 13621015 15987233.2560677 1 19.7508246169866 1 "LCMSMS_2.mzML" 196 0.473881896281215 283 345 342 49.182402 271.077117919922 8.33965112754828 49.625877 1 345 +"301" 271.075417555327 270.95654296875 271.103546142578 43.3414116 31.850268 55.4140188 65084413.3775139 243452484.630011 13276881 16318497.2580106 1 19.9808033411058 2 "LCMSMS_1.mzML" 586 0.464383913270215 1111 344 342 49.3156656 271.077239990234 6.72298109366911 49.6800036 2 344 +"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 "LCMSMS_2.mzML" 197 1 298 363 360 51.4450368 272.171234130859 1.68120319899846 51.9020142 1 363 +"303" 272.170776556479 272.080139160156 272.171356201172 59.113914 45.3966672 72.006432 188036987.630808 659386171.926265 14265685 39862911.3149836 1 23.6336193897925 1 "LCMSMS_2.mzML" 197 1 357 434 432 60.634806 272.171203613281 1.56907661982964 60.991638 1 434 +"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 "LCMSMS_1.mzML" 587 1 1122 357 354 50.8435338 272.171264648438 1.80054914060759 51.2832498 2 357 +"303" 272.170774591583 272.080505371094 272.171325683594 58.478901 45.5280288 72.171048 187087211.717069 654360836.757899 13559293 39620698.7018983 1 23.5550100374588 2 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