# HG changeset patch
# User recetox
# Date 1726222129 0
# Node ID a26b860d6ce712e26fbe97161b8bc13285dfaecb

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit c6e502d8af84750003e4ba001c61817acedd1896

diff -r 000000000000 -r a26b860d6ce7 help.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/help.xml	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,192 @@
+<macros>
+
+<token name="@GENERAL_HELP@">
+General Information
+===================
+
+Overview
+--------
+       
+MFAssignR is an R package for the molecular formula (MF) assignment of ultrahigh resolution mass spectrometry measurements. It contains several functions for the noise assessment, isotope filtering, interal mass recalibration, and MF assignment. 
+
+The MFAssignR package was originally developed by Simeon Schum et al. (2020), the source code can be found on `GitHub`_.
+Please submit eventual Galaxy-related bug reports as `issues`_ on the repository.
+
+.. _GitHub: https://github.com/skschum/MFAssignR
+.. _issues: https://github.com/RECETOX/galaxytools/issues
+
+
+Workflow
+--------
+                   
+.. image:: https://github.com/RECETOX/MFAssignR/raw/master/overview.png
+   :width: 1512
+   :height: 720
+   :scale: 60
+   :alt: A picture of a workflow diagram.
+
+The recommended workflow how to run the MFAssignR package is as follows:
+
+(1) Run KMDNoise() to determine the noise level for the data.
+(2) Check effectiveness of S/N threshold using SNplot().
+(3) Use IsoFiltR() to identify potential 13C and 34S isotope masses.
+(4) Using the S/N threshold, and the two data frames output from IsoFiltR(), run MFAssignCHO() to assign MF with C, H, and O to assess the mass accuracy.
+(5) Use RecalList() to generate a list of the potential recalibrant series.
+(6) Choose the most suitable recalibrant series using FindRecalSeries().
+(7) After choosing recalibrant series, use Recal() to recalibrate the mass lists.
+(8) Assign MF to the recalibrated mass list using MFAssign().
+(9) Check the output plots from MFAssign() to evaluate the quality of the assignments.
+
+For detailed documentation on the individual steps please see the individual tool wrappers.
+</token>
+
+<token name="@KMDNOISE_HELP@">
+MFAssignR - KMDNoise
+=============================
+
+This tool is the first step of the MFAssignR workflow (can be substitued by HistNoise or run in paralell).
+
+KMDnoise is a Kendrick Mass Defect (KMD) approach for the noise estimation. It selects a subset of the data using the linear equation y=0.1132x + b, where y stands for the KMD value, x for the measured ion mass and b is the y-intercept. The default y-intercepts of 0.05 and 0.2 in KMDNoise are used to isolate the largest analyte free region of noise in most mass spectra. The intensity of the peaks within this “slice” are then averaged and that value is defined as the noise level for the mass spectrum. This value is then multiplied with a user-defined signal-to-noise ratio (typically 3-10) to remove low intensity m/z values.
+
+Output:     
+
+- noise estimate - this noise level can then be multiplied by the user chosen value (3, 6, 10) in order to set the signal to noise cut for formula assignment.
+- KMD plot - bounds of the noise estimation area are highlighted in red.
+</token>
+
+<token name="@HISTNOISE_HELP@">
+MFAssignR - HistNoise
+=============================
+
+This tool is the first step of the MFAssignR workflow (can be substitued by KMDNoise or run in paralell (-> SNplot)). 
+
+HistNoise function creates a histogram using natural log of the intensity, which can be then used to determine the noise level for the data analyze, and also the estimated noise level. The noise level can be then multiplied by whatever value in order to reach the value to be used to cut the data.
+
+Output:
+
+- noise estimate - this noise level can then be multiplied by the user chosen value in order to set the signal to noise cut for formula assignment
+- Histogram - shows where the cut is being applied
+
+</token>
+
+<token name="@SNPLOT_HELP@">
+MFAssignR - SNplot
+=============================
+
+This tool is the second step of the MFAssignR workflow (KMDNoise -> SNplot -> IsoFiltR).
+
+SNplot function plots the mass spectrum with the S/N cut denoted by different colors for the mass spectrum peaks (red indicates noise, blue indicates signal). This is useful for a qualitative look at the effectiveness of the S/N cut being used.
+
+Output:     
+
+- SNplot - S/N colored mass spectrum showing where the cut is being applied
+</token>
+
+<token name="@ISOFILTR_HELP@">
+MFAssignR - IsoFiltR
+=============================
+
+This tool is the third step of the MFAssignR workflow (SNplot -> IsoFiltR -> MFAssignCHO).
+
+IsoFiltR identifies and separates likely isotopic masses from monoisotopic masses in a mass list. This should be done prior to formula assignment to reduce incorrect formula assignments.
+
+Output:     
+
+- A dataframe of monoisotopic and non-matched masses
+- A dataframe of isotopic masses
+</token>
+
+<token name="@MFASSIGNCHO_HELP@">
+MFAssignR - MFAssignCHO
+=============================
+
+This tool is the fourth step of the MFAssignR workflow (IsoFiltR -> MFAssignCHO -> RecalList)
+
+MFAssignCHO is a simplified version of MSAssign funcion, which only assigns MF with CHO elements. It is useful for the prelimiary MF assignments prior to the selection of internal recalibration ions in conjunction with RecalList and Recal.
+
+Output:     
+
+- Unambig - data frame containing unambiguous assignments
+- Ambig - data frame containing ambiguous assignments
+- None - data frame containing unassigned masses
+- MSAssign - ggplot of mass spectrum highlighting assigned/unassigned
+- Error - ggplot of the Error vs. m/z
+- MSgroups - ggplot of mass spectrum colored by molecular group
+- VK - ggplot of van Krevelen plot, colored by molecular group
+</token>
+
+<token name="@RECALLIST_HELP@">
+MFAssignR - RecalList
+=============================
+
+This tool is the fifth step of the MFAssignR workflow (MFAssignCHO -> RecalList -> FindRecalSeries)
+
+RecalList() function identifies the homologous series that could be used for recalibration. On the input, there is the output from MFAssign() or MFAssignCHO() functions. It returns a dataframe that contains the CH2 homologous series that contain more than 3 members.
+
+Output:     
+
+- Dataframe that contains the CH2 homologous series that contain more than 3 members.
+</token>
+
+<token name="@FINDRECALSERIES_HELP@">
+MFAssignR - FindRecalSeries
+=============================
+
+This tool is the sixth step of the MFAssignR workflow (RecalList -> FindRecalSeries -> Recal)
+
+This function takes on input the CH2 homologous recalibration series, which are provided by the RecalList function and tries to find the most suitable series combination for recalibration based on the following criteria:
+
+(1) Series should cover the full mass spectral range,
+(2) Series should be optimally long and combined have a “Tall Peak” at least every 100 m/z,
+(3) Abundance score: the higher, the better,
+(4) Peak score: the closer to 0, the better,
+(5) Peak Distance: the closer to 1, the better,
+(6) Series Score: the closer to this value, the better.
+
+Combinations of 5 series are assembled, scores are computed for other metrics (in case of Peak proximity and Peak
+distance, an inverted score is computed) and these are summed. Finally, either a series of the size of combination or top 10 unique series having the highest score are outputted.
+
+Output:     
+
+- Dataframe of n or 10 most suitable recalibrant series.
+</token>
+
+<token name="@RECAL_HELP@">
+MFAssignR - Recal
+=============================
+
+This tool is the seventh step of the MFAssignR workflow (FindRecalSeries -> Recal -> MFAssign)
+
+Recal() function recalibrates the 'Mono' and 'Iso' outputs from the IsoFiltR() function and prepares a dataframe containing chose recalibrants. Also it outputs a plot for the qualitative assessment of recalibrants. The input to the function is output from MFAssign() or MFAssignCHO(). 
+
+It is important for recalibrant masses to cover the entire mass range of interest, and they should be among the most abundant peaks in their region of the spectrum - by default we take first 10 recalibrant series. We recommend to sort the Recalibration Series table based on the Series Score (largest to smallest). In case that error "Gap in recalibrant coverage, try adding more recalibrant series" would occur, we recommend to provide more diverse series.
+
+Output:     
+
+- Mass spectrum       
+- Recalibrated dataframe of monoisotopic masses   
+- Recalibrated dataframe of isotopic masses
+- Recalibrants list
+</token>
+
+<token name="@MFASSIGN_HELP@">
+MFAssignR - MFAssign
+=============================
+
+This tool is the last step of the MFAssignR workflow (Recal -> MFAssign)
+
+Recal() function recalibrates the 'Mono' and 'Iso' outputs from the IsoFiltR() function and prepares a dataframe containing chose recalibrants. Also it outputs a plot for the qualitative assessment of recalibrants. The input to the function is output from MFAssign() or MFAssignCHO(). 
+
+It is important for recalibrant masses to cover the entire mass range of interest, and they should be among the most abundant peaks in their region of the spectrum - by default we take first 10 recalibrant series. We recommend to sort the Recalibration Series table based on the Series Score (largest to smallest). In case that error "Gap in recalibrant coverage, try adding more recalibrant series" would occur, we recommend to provide more diverse series.
+
+Output:     
+
+- Unambig - data frame containing unambiguous assignments
+- Ambig - data frame containing ambiguous assignments
+- None - data frame containing unassigned masses
+- MSAssign - ggplot of mass spectrum highlighting assigned/unassigned
+- Error - ggplot of the Error vs. m/z
+- MSgroups - ggplot of mass spectrum colored by molecular group
+- VK - ggplot of van Krevelen plot, colored by molecular group
+</token>
+</macros>
\ No newline at end of file
diff -r 000000000000 -r a26b860d6ce7 macros.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,161 @@
+<macros>
+    <token name="@TOOL_VERSION@">1.1.1</token>
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="@TOOL_VERSION@">r-mfassignr</requirement>
+        </requirements>
+    </xml>
+
+    <xml name="refs">
+        <xrefs>
+               <xref type="bio.tools">mfassignr</xref>
+        </xrefs>
+    </xml>
+
+    <xml name="creator">
+        <creator>
+            <person
+                givenName="Kristina"
+                familyName="Gomoryova"
+                url="https://github.com/KristinaGomoryova"
+                identifier="0000-0003-4407-3917" />
+            <person
+                givenName="Helge"
+                familyName="Hecht"
+                url="https://github.com/hechth"
+                identifier="0000-0001-6744-996X" />
+            <person
+                givenName="Zargham"
+                familyName="Ahmad"
+                url="https://github.com/zargham-ahmad"
+                identifier="0000-0002-6096-224X" />
+            <organization
+                url="https://www.recetox.muni.cz/"
+                email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
+                name="RECETOX MUNI" />
+        </creator>
+    </xml>
+
+    <xml name="kmdnoise_param">
+        <param name="input_file" type="data" format="tabular" label="Input data"
+               help= "Input data frame, first column is mass, second column is intensity"/>
+        <param name="upper_y" type="float" label="upper limit for the y intercept" value="0.2"
+               help= "The upper y-intercept value to isolate noise peaks in the equation for the KMD plot: y = 0.001123*x + b. Default value is set to 0.2, so that it does not interact with any potentially double-charged peaks."/>
+        <param name="lower_y" type="float" label="lower limit for the y intercept" value="0.05"
+               help="The lower y-intercept value to isolate noise peaks in the equation for the KMD plot: y = 0.001123*x + b. Default value is set to 0.05 to ensure no analyte peaks are incorporated into the noise estimation."/>
+        <param name="upper_x" optional="true" type="float" label="upper limit for the x intercept"
+               help="If not set, it defaults to maximum mass in the mass spectrum."/>
+        <param name="lower_x" optional="true" type="float" label="lower limit for the x intercept"
+               help="If not set, it defaults to minimum mass in the mass spectrum."/>
+    </xml>
+
+    <xml name="histnoise_param">
+        <param name="input_file" type="data" format="tabular" label="Input data"
+               help= "Input data frame, first column is mass, second column is intensity"/>
+        <param name="SN" type="float" label="signal-to-noise threshold" value="0"
+               help= "A numeric value for situations where a predefined noise value is desired, default is 0"/>
+        <param name="bin" type="float" label="bindwidth of the histogram" value="0.01"
+               help= "A numeric value determining the binwidth of the histogram, default is 0.01"/>
+    </xml>
+
+    <xml name="noise_threshold_params">
+       <param name="sn_ratio" type="float" label="SN ratio" value="6"
+               help= "Noise multiplier. Recommended value is 6."/>
+        <param name="kmdn" type="float" label="Estimated noise" value="0"
+               help= "Estimated noise, either from the KMDNoise or HistNoise function."/>
+    </xml>
+
+    <xml name="snplot_param">
+        <param name="input_file" type="data" format="tabular" label="Input data"
+               help= "Input data frame, first column is mass, second column is intensity"/>
+        <param name="cut" type="float" label="cut" value="0"
+               help= "A numeric value of the intensity cut value being investigated"/>
+        <param name="mass" type="float" label="mass" value="300"
+               help= "A numeric value setting a centerpoint to look at the mass spectrum"/>
+        <param name="window_x" type="float" label="window.x" value="0.5"
+               help= "A numeric value setting the +/- range around the mass centerpoint, default is 0.5"/>
+        <param name="window_y" type="float" label="window.y" value="10"  
+               help= "A numeric value setting the y axis value for the plot, determined by multiplying the cut by this value"/> 
+    </xml>
+
+    <xml name="ionmode_param">
+       <param name="ionmode" type="select" display="radio" label="Ion mode" help= "The ionization mode.">
+              <option value="neg" >negative</option>
+              <option value="pos" selected="true">positive</option> 
+        </param>
+    </xml>
+
+    <xml name="mfassign_param">
+        <param name="ppm_err" type="integer" label="ppm_err"
+               help= "Error tolerance (ppm) for formula assignment" value="3"/>
+        <expand macro="ionmode_param" />
+        <expand macro="noise_threshold_params" />
+        <param name="lowMW" type="float" label="Lower limit of molecular mass to be assigned" value="100"
+               help= "Lower limit of molecular mass to be assigned."/>
+        <param name="highMW" type="float" label="Upper limit of molecular mass to be assigned" value="1000"
+               help= "Upper limit of molecular mass to be assigned."/>
+    </xml>
+
+    <xml name="findrecalseries_param">
+        <param name="input_file" type="data" format="tabular" label="Input data"
+               help= "Recalibration series, output from RecalList"/>
+        <param name="global_min" type="float" label="Global min"
+               help= "A lower bound of the instrument m/z range."/>
+        <param name="global_max" type="float" label="Global max"
+               help= "A higher bound of the instrument m/z range."/>
+        <param name="number_of_combinations" type="integer" label="Number of combinations"
+               help= "Combinations of how many series should be computed." value="5"/>
+        <param name="abundance_score_threshold" type="float" label="Abundance score threshold" value="100"
+               help= "A threshold for filtering abundance score parameter. The series with higher values are better."/>
+        <param name="peak_distance_threshold" type="float" label="Peak distance threshold" value="2"
+               help= "A threshold for the peak distance parameter. The closer this value is to 1, the better."/>
+        <param name="coverage_threshold" type="integer" label="How many % of the m/z range should be covered."
+               help= "How many % of the m/z range should be covered." value="90"/>
+        <param name="fill_series" type="boolean" truevalue="TRUE" falsevalue="FALSE" label="Whether to return top 10 unique series (TRUE) or series only from the best combination."
+               help= "If TRUE, top 10 unique series will be returned, otherwise only the series from the best
+               combination will be returned." value="false"/>
+    </xml>
+
+    <xml name="recal_param">
+        <param name="input_file" type="data" format="tabular" label="Input data (Output from MFAssign)"
+               help= "Input data frame, the output from MFAssign or MFAssignCHO"/>
+       <param name="series" type="data" format="tabular" label="Calibration series (Output from RecalList)"
+               help= "Calibration series (Output from RecalList). At maximum the first 10 rows are used."/>
+        <param name="peaks" type="data" format="tabular" label="Peaks dataframe (Mono from IsoFiltR)"
+               help= "Peaks data frame, the Mono output from IsoFiltR"/>              
+        <param name="isopeaks" type="data" format="tabular" label="Isopeaks dataframe (Iso from IsoFiltR)" 
+               help= "Isopeaks data frame, the Mono output from IsoFiltR"/>
+        <expand macro="ionmode_param" />
+        <expand macro="noise_threshold_params" />
+        <param name="mzRange" type="float" label="Mass windows used for the segmented recalibration" value="30"
+               help= "Mass windows used for the segmented recalibration"/>
+        <param name="step_O" type="float" label="Number of oxygen steps for formula extension" value="3"
+               help= "Number of oxygen steps for formula extension"/>
+        <param name="step_H2" type="float" label="Number of H2 steps for formula extension" value="5"
+               help= "Number of H2 steps for formula extension"/>
+         <param name="CalPeak" type="float" label="Maximum allowed recalibrant peaks per mzRange defined segment" value="150" help= "Maximum allowed recalibrant peaks per mzRange defined segment"/>      
+
+    </xml>
+
+    <xml name="isofiltr_param">
+        <param name="peaks" type="data" format="tabular" label="Input Peak Data"
+        help="The input data frame containing abundance and peak mass."/>
+        <param name="SN" type="float" value="0" label="Signal-to-Noise Ratio"
+        help="Sets the noise cut for the data; peaks below this value will not be evaluated."/>
+        <param name="Carbrat" type="float" value="60" min="5" label="Maximum 13C/12C Ratio"
+        help="Sets the maximum allowed ratio for matching 13C isotopes."/>
+        <param name="Sulfrat" type="float" value="30" label="Maximum 34S/32S Ratio"
+        help="Sets the maximum allowed ratio for matching 34S isotopes."/>
+        <param name="Sulferr" type="float" value="5" label="Maximum Error for 34S Matching (ppm)"
+        help="Sets the maximum allowed error (ppm) for 34S mass matching."/>
+        <param name="Carberr" type="float" value="5" label="Maximum Error for 13C Matching (ppm)"
+        help="Sets the maximum allowed error (ppm) for 13C mass matching."/>
+    </xml>
+
+    <xml name="citations">
+        <citations>
+            <citation type="doi">10.1016/j.envres.2020.110114</citation>
+        </citations>        
+    </xml>
+
+</macros>
diff -r 000000000000 -r a26b860d6ce7 mfassignr_findRecalSeries.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/mfassignr_findRecalSeries.xml	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,64 @@
+<tool id="mfassignr_findRecalSeries" name="MFAssignR FindRecalSeries" version="@TOOL_VERSION@+galaxy0" profile="23.0">
+    <description>Selects most suitable series for recalibration</description>
+    <macros>
+        <import>macros.xml</import>
+        <import>help.xml</import>
+    </macros>
+    <edam_topics>
+        <edam_topic>topic_3172</edam_topic>    
+    </edam_topics>
+    <edam_operations>  
+        <edam_operation>operation_3627</edam_operation>  
+    </edam_operations>
+    <expand macro="creator" />
+    <expand macro="refs" />
+
+    <expand macro="requirements" />
+    <command detect_errors="exit_code"><![CDATA[
+        Rscript -e 'packageVersion("MFAssignR")' &&
+        Rscript '${mfassignr_findrecalseries}'
+    ]]>
+    </command>
+    <configfiles>
+        <configfile name="mfassignr_findrecalseries"><![CDATA[
+            library(dplyr)
+            df <- read.table("$input_file", header=TRUE, sep="\t")
+            result <- MFAssignR::FindRecalSeries(
+                df = df,
+                global_min = $global_min,
+                global_max = $global_max,
+                number_of_combinations = $number_of_combinations,
+                abundance_score_threshold = $abundance_score_threshold,
+                peak_distance_threshold = $peak_distance_threshold,
+                coverage_threshold = $coverage_threshold,
+                fill_series = $fill_series
+            ) |> dplyr::rename(Series = series)
+            
+            write.table(result, file="$final_series", sep="\t", row.names=FALSE)
+        ]]></configfile>
+    </configfiles>
+    <inputs>
+        <expand macro="findrecalseries_param"/>
+    </inputs>
+    <outputs>
+        <data name="final_series" format="tabular" label="Final recalibration series"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="input_file" value="recallist/recal_series.tabular"/>
+            <param name="global_min" value="100"/>
+            <param name="global_max" value="500"/>
+            <param name="abundance_score_threshold" value="50"/>
+            <param name="number_of_combinations" value="3"/>
+            <param name="coverage_threshold" value="50"/>
+            <param name="fill_series" value="TRUE"/>
+            <output name="final_series" file="findrecalseries/selected_series.tabular"/>
+        </test>
+    </tests>
+    <help>
+        @FINDRECALSERIES_HELP@
+
+        @GENERAL_HELP@
+    </help>
+    <expand macro="citations"/>
+</tool>
diff -r 000000000000 -r a26b860d6ce7 test-data/QC1_1_POS_500.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/QC1_1_POS_500.tabular	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,11676 @@
+mz	area	rt
+110.03486266079899	3410926.862054969	190.03735922916195
+110.05988136843429	7658687.858	241.17645551084158
+110.06015592549471	14169261.34534522	126.57847427773405
+110.06824904152266	5981809.787157916	374.0632748017737
+110.32359950756435	1414755.1736469595	991.1496083640616
+111.04378897504316	21010220.70875867	170.23566827181406
+111.0444179645384	2568209.9420642755	458.2459507250244
+111.08022837988868	2617672.698721376	563.8430510566319
+111.08069813692724	7052807.131400264	162.38939636964986
+111.08069901919184	11841286.84627765	396.3167563210478
+111.11684266468278	1024424.0763969524	832.1057473183635
+111.56409773878477	1926937.0602666757	384.2799301309543
+112.03936	56583334.742867745	126.12458946449935
+112.05065791570398	154367494.54666322	161.4806108135974
+112.05065813050068	46867366.866426446	204.1445122578134
+112.06275723543732	1230982.2122708545	676.6319981639425
+112.07549359478173	4242904.211471889	723.2118036500495
+112.07581025615814	171092477.10924065	253.4621966944835
+112.07596947237147	33078580.07354788	266.3578764060382
+112.08696907241065	206343462.33520523	158.2868280462953
+112.11196062543283	4899489.2976573305	162.6293571479084
+112.11196197502942	1845742.4674326435	512.3944763836574
+112.27589510085522	1952665.265610934	533.1167854756449
+112.32635983179634	964152.7190827326	723.5244554401899
+112.96874399928338	895211.7273908234	1226.557762513011
+112.96890575402401	729558.7975831908	1318.9792464318425
+113.02305997432532	3868548.1659795763	679.7426692229753
+113.04208699067779	6245091.930547195	255.3052535442479
+113.05337719107969	16452905.93032852	205.36802267700085
+113.05966830003653	34089624.95930564	175.58881077777403
+113.05975029961277	109164662.21070279	129.61652485662805
+113.05999317069997	4167251.595	767.1472908761946
+113.06128305668156	24512823.66949312	595.8738127062292
+113.07886771132277	10856352.061299112	255.49571459522937
+113.09017237381532	8370692.3229361465	158.4626525402673
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diff -r 000000000000 -r a26b860d6ce7 test-data/findrecalseries/selected_series.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/findrecalseries/selected_series.tabular	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,6 @@
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diff -r 000000000000 -r a26b860d6ce7 test-data/histnoise/plot.png
Binary file test-data/histnoise/plot.png has changed
diff -r 000000000000 -r a26b860d6ce7 test-data/isofiltr/iso_out.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/isofiltr/iso_out.tabular	Fri Sep 13 10:08:49 2024 +0000
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diff -r 000000000000 -r a26b860d6ce7 test-data/isofiltr/mono_out.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/isofiltr/mono_out.tabular	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,9203 @@
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diff -r 000000000000 -r a26b860d6ce7 test-data/mfassign/unambig.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/mfassign/unambig.tabular	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,1357 @@
+"exp_mass"	"abundance"	"RT"	"formula"	"class"	"group"	"C"	"H"	"O"	"N"	"S"	"P"	"E"	"S34"	"N15"	"D"	"Cl"	"Fl"	"Cl37"	"Br"	"Br81"	"I"	"M"	"NH4"	"POE"	"NOE"	"Z"	"neutral_mass"	"theor_mass"	"err_ppm"	"AE_ppm"	"NM"	"KM"	"KMD"	"DBE"	"O_C"	"H_C"	"DBEO"	"max_LA"	"actual_LA"	"rule_13"	"max_H"	"H_test"	"C13_mass"	"C13_abund"	"C13_RT"	"C13_mass2"	"C13_abund2"	"C13_RT2"	"S34_mass"	"S34_abund"	"S34_RT"	"tag"
+113.059668300037	34089624.9593056	175.588810777774	"C6H8O2"	"O2"	"CHO"	6	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	112.052391847877	113.05970595196	-0.336020698653698	0.34	113	112.933424864385	0.0665751356149684	3	0.333333333333333	1.33333333333333	1	8.61941765383077	8	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+113.059750299613	109164662.210703	129.616524856628	"C6H8O2"	"O2"	"CHO"	6	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	112.052473847453	113.05970595196	0.395775760048756	0.4	113	112.9335067724	0.0664932276004322	3	0.333333333333333	1.33333333333333	1	8.61941765383077	8	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+115.038996485973	95204343.6149802	126.124561596817	"C5H6O3"	"O3"	"CHO"	5	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	114.031720033813	115.03897051046	0.227791995104014	0.23	115	114.910542914786	0.0894570852138941	3	0.6	1.2	0	8.77166877371538	8	0.9	12	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+115.054231533359	97316198.4500411	486.860812934674	"C9H6"	""	"CH"	9	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	114.046955081199	115.05422664356	0.0428753139246947	0.04	115	114.925760950582	0.0742390494179119	7	0	0.666666666666667	7	8.77284232241538	9	1	20	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+115.075265540226	23920192.6144326	167.40968733339	"C6H10O2"	"O2"	"CHO"	6	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	114.067989088066	115.07535601576	-0.793171990951019	0.79	115	114.946771470689	0.0532285293108856	2	0.333333333333333	1.66666666666667	0	8.77446765873846	8	0.9	14	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+115.075431411708	75254335.0387775	255.255342064005	"C6H10O2"	"O2"	"CHO"	6	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	114.068154959548	115.07535601576	0.660972801872154	0.66	115	114.946937156958	0.0530628430424684	2	0.333333333333333	1.66666666666667	0	8.77446765873846	8	0.9	14	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+117.054617173705	106351841.6822	604.088170928428	"C5H8O3"	"O3"	"CHO"	5	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	116.047340721545	117.05462057426	-0.0293031702982305	0.03	117	116.923912942451	0.0760870575485342	2	0.6	1.6	-1	8.92671877862308	8	0.9	12	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+117.069572629504	63116320.3841112	386.001176	"C9H8"	""	"CH"	9	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	116.062296177344	117.06987670736	-2.61995381804255	2.62	117	116.938851698855	0.0611483011450815	6	0	0.888888888888889	6	8.92789232732308	9	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+117.069742846604	59916324.7610906	448.183657284805	"C9H8"	""	"CH"	9	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	116.062466394444	117.06987670736	-1.15335095102569	1.15	117	116.939021725889	0.0609782741110223	6	0	0.888888888888889	6	8.92789232732308	9	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+117.070083035453	65132525.6124874	525.247553400879	"C9H8"	""	"CH"	9	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	116.062806583293	117.06987670736	1.77772793088697	1.78	117	116.93936153488	0.0606384651199363	6	0	0.888888888888889	6	8.92789232732308	9	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119.049041072813	31036054.9520427	745.850153780004	"C8H6O"	"O"	"CHO"	8	6	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	118.041764620653	119.04914126586	-0.848793198965757	0.85	119	118.916109850016	0.0838901499836311	6	0.125	0.75	5	9.08014344720769	9	1	18	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119.085478343665	331652044.4	445.799815387253	"C9H10"	""	"CH"	9	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	118.078201891505	119.08552677116	-0.410130694969878	0.41	119	118.952506434686	0.047493565313772	5	0	1.11111111111111	5	9.08294233223077	9	1	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.049879260367	25057828.0730095	441.740553989843	"C11H8O4"	"O4"	"CHO"	11	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.042602808207	205.04953519656	1.68623514032023	1.69	205	204.820918733354	0.179081266645653	8	0.363636363636364	0.727272727272727	4	15.6955583649538	15	1	24	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.085738556457	102562977.431735	386.446023339119	"C12H12O3"	"O3"	"CHO"	12	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.078462104297	205.08592070186	-0.892526340792066	0.89	205	204.856737988634	0.143262011366033	7	0.25	1	4	15.6983572499769	15	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.085739395504	43556549.4586266	509.453986950212	"C12H12O3"	"O3"	"CHO"	12	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.078462943344	205.08592070186	-0.888414942944934	0.89	205	204.856738826744	0.143261173255922	7	0.25	1	4	15.6983572499769	15	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.085741375682	92228815.2568331	794.150402331336	"C12H12O3"	"O3"	"CHO"	12	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.078464923522	205.08592070186	-0.878711911453422	0.88	205	204.856740804711	0.143259195288977	7	0.25	1	4	15.6983572499769	15	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.190034324818	44586969.8169834	620.327888224073	"C19H24O"	"O"	"CHO"	19	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.182757872658	269.18999184006	0.158417186656811	0.16	269	268.889454327659	0.110545672341175	8	0.0526315789473684	1.26315789473684	7	20.6294396452231	20	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+121.064839051124	31578079.5835462	670.934855605503	"C8H8O"	"O"	"CHO"	8	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.057562598964	121.06479132966	0.397488196219781	0.4	121	120.929656970296	0.0703430297035226	5	0.125	1	4	9.23519345211538	9	1	18	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.158277263762	52116534.0735626	724.601578726955	"C14H20O"	"O"	"CHO"	14	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.151000811602	205.15869171246	-2.03010857833722	2.03	205	204.92919569857	0.0708043014296322	5	0.0714285714285714	1.42857142857143	4	15.7039550200231	15	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123.044127955122	144603757.515597	250.51457571322	"C7H6O2"	"O2"	"CHO"	7	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.036851502962	123.04405588816	0.590534425490025	0.59	123	122.906735782622	0.0932642173778788	5	0.285714285714286	0.857142857142857	3	9.387444572	9	1	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123.044311353059	220145401.346585	309.739054082458	"C7H6O2"	"O2"	"CHO"	7	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.037034900899	123.04405588816	2.09333911796511	2.09	123	122.906918975775	0.0930810242246451	5	0.285714285714286	0.857142857142857	3	9.387444572	9	1	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123.044312115776	22600448.3130038	504.432808814696	"C7H6O2"	"O2"	"CHO"	7	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.037035663616	123.04405588816	2.09958898623494	2.1	123	122.906919737641	0.0930802623593081	5	0.285714285714286	0.857142857142857	3	9.387444572	9	1	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123.08040073282	127628556.180105	447.129013430195	"C8H10O"	"O"	"CHO"	8	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.07312428066	123.08044139346	-0.33308429066689	0.33	123	122.942968057813	0.0570319421874927	4	0.125	1.25	3	9.39024345702308	9	1	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123.080583711079	104471043.938755	363.036453996828	"C8H10O"	"O"	"CHO"	8	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.073307258919	123.08044139346	1.16583733324	1.17	123	122.943150831756	0.0568491682436445	4	0.125	1.25	3	9.39024345702308	9	1	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123.080584214953	44809816.961203	519.229828471245	"C8H10O"	"O"	"CHO"	8	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.073307762793	123.08044139346	1.16996496300141	1.17	123	122.943151335068	0.056848664932275	4	0.125	1.25	3	9.39024345702308	9	1	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123.116871592357	234383113.187024	558.931056651587	"C9H14"	""	"CH"	9	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.109595140197	123.11682689876	0.366012162707924	0.37	123	122.979398193662	0.020601806338064	3	0	1.55555555555556	3	9.39304234204615	9	1	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125.023382532151	143247458.216515	331.730487472646	"C6H4O3"	"O3"	"CHO"	6	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.016106079991	125.02332044666	0.500624418650638	0.5	125	124.883780306309	0.116219693691406	5	0.5	0.666666666666667	2	9.53969569188462	9	0.9	14	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125.059595214589	45273253.424549	335.952980559513	"C7H8O2"	"O2"	"CHO"	7	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.052318762429	125.05970595196	-0.892666675701787	0.89	125	124.919952553342	0.080047446658142	4	0.285714285714286	1.14285714285714	2	9.54249457690769	9	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125.059596220818	21273474.6976777	545.163897638413	"C7H8O2"	"O2"	"CHO"	7	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.052319768658	125.05970595196	-0.884555340912615	0.88	125	124.919953558447	0.0800464415527102	4	0.285714285714286	1.14285714285714	2	9.54249457690769	9	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125.059782634153	42725084.1665631	277.144304693799	"C7H8O2"	"O2"	"CHO"	7	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.052506181993	125.05970595196	0.618143037631748	0.62	125	124.920139763631	0.0798602363685035	4	0.285714285714286	1.14285714285714	2	9.54249457690769	9	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125.059782634211	54970915.195144	235.892572801366	"C7H8O2"	"O2"	"CHO"	7	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.052506182051	125.05970595196	0.618143505245623	0.62	125	124.920139763689	0.0798602363105516	4	0.285714285714286	1.14285714285714	2	9.54249457690769	9	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125.096198635223	151948609.152091	488.211535098533	"C8H12O"	"O"	"CHO"	8	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.088922183063	125.09609145726	0.863719025976379	0.86	125	124.956515102269	0.0434848977306075	3	0.125	1.5	2	9.54529346193077	9	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+273.205847617233	99490821.68	604.236941486458	"C15H28O4"	"O4"	"CHO"	15	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.198571165073	273.20603583456	-0.691470664866251	0.69	273	272.900783527076	0.0992164729240699	2	0.266666666666667	1.86666666666667	-2	20.9383661063385	19	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+207.174206289604	23660012.249918	822.802023798611	"C14H22O"	"O"	"CHO"	14	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.166929837444	207.17434177626	-0.657169683388142	0.66	207	206.942873720053	0.0571262799473402	4	0.0714285714285714	1.57142857142857	3	15.8590050249308	15	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.044265184133	68294477.6113937	237.124249409052	"C10H8O5"	"O5"	"CHO"	10	8	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.036988731973	209.04444981886	-0.887509130686923	0.89	209	208.810844490114	0.189155509886319	7	0.5	0.8	2	16.0028594897462	15	0.9	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+275.113079053009	45686645.1654632	221.521345551286	"C12H18O7"	"O7"	"CHO"	12	18	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.105802600849	275.11252938246	2.00532255732312	2.01	275	274.805885331192	0.194114668807629	4	0.583333333333333	1.5	-3	21.0850194561769	19	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+127.075190047638	37977965.0602011	343.491111578588	"C7H10O2"	"O2"	"CHO"	7	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.067913595478	127.07535601576	-1.3164977294485	1.32	127	126.933296755194	0.0667032448062059	3	0.285714285714286	1.42857142857143	1	9.69754458181539	9	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+127.075382018668	314289366.585067	228.285989245097	"C7H10O2"	"O2"	"CHO"	7	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.068105566508	127.07535601576	0.206260797447328	0.21	127	126.933488511867	0.0665114881327753	3	0.285714285714286	1.42857142857143	1	9.69754458181539	9	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+127.075574244373	123543197.168938	277.884007659833	"C7H10O2"	"O2"	"CHO"	7	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.068297792213	127.07535601576	1.73103481855038	1.73	127	126.933680522931	0.066319477068717	3	0.285714285714286	1.42857142857143	1	9.69754458181539	9	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+129.054679883577	95215659.3177834	153.543385978679	"C6H8O3"	"O3"	"CHO"	6	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	128.047403431417	129.05462057426	0.463182504449292	0.46	129	128.910576275098	0.0894237249019625	3	0.5	1.33333333333333	0	9.8497957017	9	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+129.054876865156	58301382.5652215	197.518928407276	"C6H8O3"	"O3"	"CHO"	6	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	128.047600412996	129.05462057426	2.00152830023996	2	129	128.910773036726	0.0892269632743705	3	0.5	1.33333333333333	0	9.8497957017	9	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+129.069831785863	90089707.2902013	500.357836152438	"C10H8"	""	"CH"	10	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	128.062555333703	129.06987670736	-0.350777765637091	0.35	129	128.925711258635	0.0742887413654216	7	0	0.8	7	9.8509692504	10	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+129.09108390255	65039733.0336424	412.019847053085	"C7H12O2"	"O2"	"CHO"	7	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	128.08380745039	129.09100607956	0.607594289572747	0.61	129	128.946939645018	0.053060354981767	2	0.285714285714286	1.71428571428571	0	9.85259458672308	9	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.116885382019	453904054.617405	751.020762434126	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.109608929859	209.11722082946	-1.61187867640441	1.61	209	208.883383599638	0.116616400362034	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+131.049376883118	239867231.468713	453.378981352382	"C9H6O"	"O"	"CHO"	9	6	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	130.042100430958	131.04914126586	1.81185367829751	1.81	131	130.90304597815	0.0969540218504505	7	0.111111111111111	0.666666666666667	6	10.0032203702846	10	1	20	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+131.070314874347	106376872.599584	168.386514376759	"C6H10O3"	"O3"	"CHO"	6	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	130.063038422187	131.07027063806	0.340114205531027	0.34	131	130.923960589831	0.0760394101694999	2	0.5	1.66666666666667	-1	10.0048457066077	9	0.9	14	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+131.08562072349	309161224.4	455.018911571908	"C10H10"	""	"CH"	10	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	130.07834427133	131.08552677116	0.722274952966562	0.72	131	130.939249348326	0.0607506516743967	6	0	1	6	10.0060192553077	10	1	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+133.064927298151	137227395.328169	439.812834875307	"C9H8O"	"O"	"CHO"	9	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	132.057650845991	133.06479132966	1.02961464282799	1.03	133	132.916345811583	0.0836541884169719	6	0.111111111111111	0.888888888888889	5	10.1582703751923	10	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.153409809934	64406547.3757116	501.296668655706	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146133357774	209.15360633476	-0.944167555932363	0.94	209	208.91986724405	0.0801327559495348	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+135.044116878167	250396932.561756	415.727885500646	"C8H6O2"	"O2"	"CHO"	8	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.036840426007	135.04405588816	0.455024206826155	0.46	135	134.893325410833	0.106674589167284	6	0.25	0.75	4	10.3105214950769	10	1	18	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.153410196832	59697722.3276611	538.893028706297	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146133744672	209.15360633476	-0.942308773581392	0.94	209	208.919867630516	0.0801323694835503	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+135.044327465856	52820365.8502932	435.076729817868	"C8H6O2"	"O2"	"CHO"	8	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.037051013696	135.04405588816	2.0261389962216	2.03	135	134.893535763378	0.106464236622372	6	0.25	0.75	4	10.3105214950769	10	1	18	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.153411005601	76287092.3270738	646.563770812285	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146134553441	209.15360633476	-0.938423187372326	0.94	209	208.919868438382	0.0801315616176339	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.153411005834	39378925.315382	685.223531326954	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146134553674	209.15360633476	-0.938422067959789	0.94	209	208.919868438615	0.0801315613849169	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.189946592555	30959969.1419188	743.383461332058	"C14H24O"	"O"	"CHO"	14	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.182670140395	209.18999184006	-0.21734520442631	0.22	209	208.956363229374	0.0436367706264207	3	0.0714285714285714	1.71428571428571	2	16.0140550298385	15	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+211.059857416649	213713984.166629	650.755189489761	"C10H10O5"	"O5"	"CHO"	10	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.052580964489	211.06009988266	-1.15431102946017	1.15	211	210.824186094336	0.175813905663603	6	0.5	1	1	16.1579094946538	15	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+211.096069261236	36884470.7095152	265.9349812	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.088792809076	211.09648538796	-1.98071833545636	1.98	211	210.860357504454	0.139642495545758	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+375.1643322	139211582.372844	465.572975817896	"C17H26O9"	"O9"	"CHO"	17	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	374.15705574784	375.16495888226	-1.674917659137	1.67	375	374.745420355103	0.254579644896978	5	0.529411764705882	1.52941176470588	-4	28.7813601869308	26	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+211.096482130755	130280891.256166	451.542608754119	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.089205678595	211.09648538796	-0.0155039141506633	0.02	211	210.860769912959	0.139230087040573	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137.096008386905	121486409.847979	533.108751070258	"C9H12O"	"O"	"CHO"	9	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.088731934745	137.09609145726	-0.610413175452972	0.61	137	136.942925759181	0.0570742408186788	4	0.111111111111111	1.33333333333333	3	10.4683703850077	10	1	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137.096008386934	26683353.6318598	581.90835682093	"C9H12O"	"O"	"CHO"	9	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.088731934774	137.09609145726	-0.610412962429007	0.61	137	136.94292575921	0.0570742407897171	4	0.111111111111111	1.33333333333333	3	10.4683703850077	10	1	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137.0962229778	119118279.112019	398.294593659563	"C9H12O"	"O"	"CHO"	9	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.08894652564	137.09609145726	0.966430730538419	0.97	137	136.943140110462	0.0568598895377761	4	0.111111111111111	1.33333333333333	3	10.4683703850077	10	1	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137.096223261009	147335204.644783	413.032024460159	"C9H12O"	"O"	"CHO"	9	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.088946808849	137.09609145726	0.968511786415546	0.97	137	136.943140393355	0.0568596066450198	4	0.111111111111111	1.33333333333333	3	10.4683703850077	10	1	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137.13241888231	32995948.6900395	507.156906556377	"C10H16"	""	"CH"	10	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.12514243015	137.13247696256	-0.426668056780552	0.43	137	136.979295598302	0.0207044016981115	3	0	1.6	3	10.4711692700308	10	1	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137.132419395447	54109538.927762	625.887607980639	"C10H16"	""	"CH"	10	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.125142943287	137.13247696256	-0.422898457690703	0.42	137	136.979296110866	0.0207038891340972	3	0	1.6	3	10.4711692700308	10	1	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137.132634373636	58522434.5701136	519.204634344393	"C10H16"	""	"CH"	10	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.125357921476	137.13247696256	1.15636850037891	1.16	137	136.979510849008	0.0204891509916649	3	0	1.6	3	10.4711692700308	10	1	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139.03868912953	93642373.9822843	198.160451758098	"C7H6O3"	"O3"	"CHO"	7	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.03141267737	139.03897051046	-2.03852821990846	2.04	139	138.883437287134	0.116562712865971	5	0.428571428571429	0.857142857142857	2	10.6178226198692	10	0.9	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139.075436413401	27703950.87	195.286928377435	"C8H10O2"	"O2"	"CHO"	8	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.068159961241	139.07535601576	0.582303994073164	0.58	139	138.92014353866	0.0798564613404267	4	0.25	1.25	2	10.6206215048923	10	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139.075437251552	141237185.8	369.427937860279	"C8H10O2"	"O2"	"CHO"	8	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.068160799392	139.07535601576	0.588374550011598	0.59	139	138.920144375875	0.0798556241253436	4	0.25	1.25	2	10.6206215048923	10	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139.075438077895	57752563.91	566.652842430422	"C8H10O2"	"O2"	"CHO"	8	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.068161625735	139.07535601576	0.594359583171058	0.59	139	138.920145201295	0.0798547987050142	4	0.25	1.25	2	10.6206215048923	10	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139.075657338995	192387836.729245	390.306397043681	"C8H10O2"	"O2"	"CHO"	8	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.068380886835	139.07535601576	2.18242028375673	2.18	139	138.920364217566	0.0796357824339395	4	0.25	1.25	2	10.6206215048923	10	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139.111759045347	127495826.297079	446.8843171	"C9H14O"	"O"	"CHO"	9	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.104482593187	139.11174152106	0.126891514740091	0.13	139	138.95642561243	0.0435743875697767	3	0.111111111111111	1.55555555555556	2	10.6234203899154	10	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139.111759327331	134673995.976467	506.132405282668	"C9H14O"	"O"	"CHO"	9	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.104482875171	139.11174152106	0.128933330899438	0.13	139	138.956425894099	0.0435741059006318	3	0.111111111111111	1.55555555555556	2	10.6234203899154	10	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139.148095860121	111417571.230536	677.7778826	"C10H18"	""	"CH"	10	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.140819407961	139.14812702636	-0.225612090017499	0.23	139	138.992721853192	0.00727814680774941	2	0	1.8	2	10.6262192749385	10	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141.018241488543	52646876.1278685	699.681460255621	"C6H4O4"	"O4"	"CHO"	6	4	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.010965036383	141.01823506896	0.0458505732061958	0.05	141	140.860779260298	0.139220739701557	5	0.666666666666667	0.666666666666667	1	10.7700737397538	10	0.9	14	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141.018241488616	221169424.479233	679.2248903	"C6H4O4"	"O4"	"CHO"	6	4	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.010965036456	141.01823506896	0.0458510947036953	0.05	141	140.860779260371	0.139220739628627	5	0.666666666666667	0.666666666666667	1	10.7700737397538	10	0.9	14	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141.054554284737	56302298.7856748	141.519088135316	"C7H8O3"	"O3"	"CHO"	7	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.047277832577	141.05462057426	-0.47333674743647	0.47	141	140.8970515093	0.102948490700186	4	0.428571428571429	1.14285714285714	1	10.7728726247769	10	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141.054650141006	69187269.1624679	165.984393820422	"C7H8O3"	"O3"	"CHO"	7	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.047373688846	141.05462057426	0.21111960352537	0.21	141	140.897147258535	0.102852741465171	4	0.428571428571429	1.14285714285714	1	10.7728726247769	10	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141.054650141064	41752642.368741	182.696103294791	"C7H8O3"	"O3"	"CHO"	7	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.047373688904	141.05462057426	0.211120017733043	0.21	141	140.897147258593	0.102852741407219	4	0.428571428571429	1.14285714285714	1	10.7728726247769	10	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141.069714774956	51943639.8174782	563.513423650856	"C11H8"	""	"CH"	11	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.062438322796	141.06987670736	-1.156144402105	1.16	141	140.91219507118	0.0878049288200202	8	0	0.727272727272727	8	10.7740461734769	11	1	24	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141.09107540126	309797966.080234	342.171720286004	"C8H12O2"	"O2"	"CHO"	8	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.0837989491	141.09100607956	0.494858795453523	0.49	141	140.933531846018	0.0664681539821572	3	0.25	1.5	1	10.7756715098	10	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141.127515919829	48777044.0862291	540.491333649987	"C9H16O"	"O"	"CHO"	9	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.120239467669	141.12739158486	0.88734482237398	0.89	141	140.969931674778	0.0300683252217482	2	0.111111111111111	1.77777777777778	1	10.7784703948231	10	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143.033758803031	54276603.4583295	176.179689912305	"C6H6O4"	"O4"	"CHO"	6	6	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.026482350871	143.03388513276	-0.889480094898184	0.89	143	142.874046030147	0.125953969852702	4	0.666666666666667	1	0	10.9251237446615	10	0.9	14	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143.070445649753	47817436.5269185	213.692446854275	"C7H10O3"	"O3"	"CHO"	7	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.063169197593	143.07027063806	1.23192868339415	1.23	143	142.910691912009	0.0893080879914976	3	0.428571428571429	1.42857142857143	0	10.9279226296846	10	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143.07067556283	58468031.99	264.175112487023	"C7H10O3"	"O3"	"CHO"	7	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.06339911067	143.07027063806	2.85031030171018	2.85	143	142.910921568362	0.0890784316375175	3	0.428571428571429	1.42857142857143	0	10.9279226296846	10	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143.106277647876	31398572.9369873	580.655545962467	"C8H14O2"	"O2"	"CHO"	8	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.099001195716	143.10665614336	-2.66360411273216	2.66	143	142.946483899802	0.0535161001977258	2	0.25	1.75	0	10.9307215147077	10	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143.106506817917	33159113.7737734	431.004966761546	"C8H14O2"	"O2"	"CHO"	8	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.099230365757	143.10665614336	-1.05085328484991	1.05	143	142.94671281395	0.0532871860500279	2	0.25	1.75	0	10.9307215147077	10	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143.106736833058	51120590.401711	501.8730638	"C8H14O2"	"O2"	"CHO"	8	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.099460380898	143.10665614336	0.567839580663789	0.57	143	142.946942572254	0.0530574277459834	2	0.25	1.75	0	10.9307215147077	10	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143.106747317844	28902133.6749628	299.826531825435	"C8H14O2"	"O2"	"CHO"	8	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.099470865684	143.10665614336	0.641624373706377	0.64	143	142.946953045333	0.0530469546673942	2	0.25	1.75	0	10.9307215147077	10	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.049414812923	72206024.2019475	144.940445764739	"C6H8O4"	"O4"	"CHO"	6	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.042138360763	145.04953519656	-0.835752914754815	0.84	145	144.887451340532	0.112548659468388	3	0.666666666666667	1.33333333333333	-1	11.0801737495692	10	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.0495582	28317215.6437765	162.029785353233	"C6H8O4"	"O4"	"CHO"	6	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.04228174784	145.04953519656	0.159699219848826	0.16	145	144.887594567501	0.112405432498662	3	0.666666666666667	1.33333333333333	-1	11.0801737495692	10	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.0647978	22516500.1450622	402.155821632222	"C10H8O"	"O"	"CHO"	10	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.05752134784	145.06479132966	0.0449149751889663	0.04	145	144.902817150828	0.0971828491721851	7	0.1	0.8	6	11.0813472982692	11	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.064798137177	119032218.236839	435.122801061307	"C10H8O"	"O"	"CHO"	10	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.057521685017	145.06479132966	0.0472555470669341	0.05	145	144.902817487628	0.0971825123716599	7	0.1	0.8	6	11.0813472982692	11	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.064798431228	522190848.976893	520.943526484276	"C10H8O"	"O"	"CHO"	10	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.057521979068	145.06479132966	0.0492967524676083	0.05	145	144.902817781351	0.0971822186490101	7	0.1	0.8	6	11.0813472982692	11	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.085665842362	126609199.374696	211.535981088847	"C7H12O3"	"O3"	"CHO"	7	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.078389390202	145.08592070186	-1.76889469044267	1.77	145	144.923661891747	0.0763381082527133	2	0.428571428571429	1.71428571428571	-1	11.0829726345923	10	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.106878113419	96307109.874889	382.557576263478	"C10H16O5"	"O5"	"CHO"	10	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.099601661259	217.10705007406	-0.795747144789024	0.8	217	216.864454633775	0.135545366225216	3	0.5	1.6	-2	16.6230595093769	15	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.101146559638	58819584.3255162	594.702052264201	"C11H12"	""	"CH"	11	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.093870107478	145.10117683496	-0.210108327073634	0.21	145	144.939125323116	0.0608746768839126	6	0	1.09090909090909	6	11.0841461832923	11	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.101147975532	47590896.2262216	887.787317180424	"C11H12"	""	"CH"	11	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.093871523372	145.10117683496	-0.20028213340544	0.2	145	144.939126737429	0.0608732625709081	6	0	1.09090909090909	6	11.0841461832923	11	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145.101380561463	135017622.482129	476.172319403296	"C11H12"	""	"CH"	11	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.094104109303	145.10117683496	1.41384343420507	1.41	145	144.939359063653	0.060640936347454	6	0	1.09090909090909	6	11.0841461832923	11	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+289.164350520746	165842754.302961	464.254558173034	"C14H24O6"	"O6"	"CHO"	14	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.157074068586	289.16456495156	-0.744145583512232	0.74	289	288.84146702368	0.158532976319805	3	0.428571428571429	1.71428571428571	-3	22.1659452691846	20	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+391.159539171341	46342665.2913125	456.968384070374	"C17H26O10"	"O10"	"CHO"	17	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.152262719181	391.15987350456	-0.856930103756844	0.86	391	390.722766935445	0.277233064554707	5	0.588235294117647	1.52941176470588	-5	30.0117382348	27	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+147.080316009467	32515653.5365925	377.248025738623	"C10H10O"	"O"	"CHO"	10	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.073039557307	147.08044139346	-0.858365057567409	0.86	147	146.916084814656	0.0839151853436704	6	0.1	1	5	11.2363973031769	11	1	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.143372287694	35026024.3619956	613.1058911	"C11H20O4"	"O4"	"CHO"	11	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.136095835534	217.14343557936	-0.292832466344037	0.29	217	216.900908058329	0.0990919416712188	2	0.363636363636364	1.81818181818182	-2	16.6258583944	15	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.158400021856	82857738.3170458	453.11082261837	"C15H20O"	"O"	"CHO"	15	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.151123569696	217.15869171246	-1.34947530775757	1.35	217	216.915919012389	0.0840809876114292	6	0.0666666666666667	1.33333333333333	5	16.6270319431	16	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+147.116706878527	330206544.296487	527.152250884147	"C11H14"	""	"CH"	11	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.109430426367	147.11682689876	-0.821440701315792	0.82	147	146.952435049347	0.0475649506531681	5	0	1.27272727272727	5	11.2391961882	11	1	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+149.023086628907	58943410.2511576	345.981131053217	"C8H4O3"	"O3"	"CHO"	8	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.015810176747	149.02332044666	-1.57968093209657	1.58	149	148.856686119067	0.143313880933249	7	0.375	0.5	4	11.3858495380385	11	1	18	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.15883112572	30164608.3873574	684.50176552318	"C15H20O"	"O"	"CHO"	15	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.15155467356	217.15869171246	0.64497921475405	0.64	217	216.916349634878	0.083650365121855	6	0.0666666666666667	1.33333333333333	5	16.6270319431	16	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+219.065043895505	75234599.475688	474.6673714	"C12H10O4"	"O4"	"CHO"	12	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.057767443345	219.06518526036	-0.648290848194573	0.65	219	218.820433910455	0.17956608954492	8	0.333333333333333	0.833333333333333	4	16.7736852929385	16	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+219.101161038611	180869951.168303	459.759590976443	"C13H14O3"	"O3"	"CHO"	13	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.093884586451	219.10157076566	-1.87867280084663	1.88	219	218.856510724836	0.143489275163574	7	0.230769230769231	1.07692307692308	4	16.7764841779615	16	1	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+149.059468904565	95433131.65	713.827397551537	"C9H8O2"	"O2"	"CHO"	9	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.052192452405	149.05970595196	-1.60110695466895	1.6	149	148.893027769951	0.10697223004928	6	0.222222222222222	0.888888888888889	4	11.3886484230615	11	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+149.059955264357	195571085.828924	304.437950444062	"C9H8O2"	"O2"	"CHO"	9	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.052678812197	149.05970595196	1.68394384361741	1.68	149	148.893513586669	0.10648641333097	6	0.222222222222222	0.888888888888889	4	11.3886484230615	11	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+293.102438823963	38068599.099451	514.793304632014	"C15H16O6"	"O6"	"CHO"	15	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.095162371803	293.10196469636	1.62319567076438	1.62	293	292.775158022317	0.224841977683411	8	0.4	1.06666666666667	2	22.4688221726308	21	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+149.132268466222	98633196.4778132	564.298377943479	"C11H16"	""	"CH"	11	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.124992014062	149.13247696256	-1.40757029016571	1.41	149	148.965746042967	0.0342539570331724	4	0	1.45454545454545	4	11.3942461931077	11	1	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+149.132268748331	97447602.3583125	636.812500542579	"C11H16"	""	"CH"	11	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.124992296171	149.13247696256	-1.40566575405748	1.41	149	148.965746324761	0.0342536752391993	4	0	1.45454545454545	4	11.3942461931077	11	1	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+149.132512576788	69359567.3505994	523.5722447	"C11H16"	""	"CH"	11	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.125236124628	149.13247696256	0.240433223553901	0.24	149	148.965989880957	0.0340101190432165	4	0	1.45454545454545	4	11.3942461931077	11	1	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.044088666964	25982902.0733458	436.176308227036	"C11H8O5"	"O5"	"CHO"	11	8	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.036812214804	221.04444981886	-1.64132488732402	1.64	221	220.797268862842	0.202731137157684	8	0.454545454545455	0.727272727272727	3	16.9259364128231	16	0.9	24	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.05908160587	23298518.2055736	192.766480173336	"C15H8O2"	"O2"	"CHO"	15	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.05180515371	221.05970595196	-2.83726865848928	2.84	221	220.812245060499	0.187754939501218	12	0.133333333333333	0.533333333333333	10	16.9271099615231	17	1	32	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+151.075099630601	47595785.96	518.9406363	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.067823178441	151.07535601576	-1.70846190468653	1.71	151	150.906407824711	0.0935921752887907	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+151.075347279301	41331243.4012657	184.975019884412	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068070827141	151.07535601576	-0.0582166409304082	0.06	151	150.906655196884	0.0933448031155137	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+151.075347569279	149232236.3192	276.497911683643	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068071117119	151.07535601576	-0.0562843312087163	0.06	151	150.906655486539	0.093344513461318	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+295.153420150002	57628404.6888047	605.529344123011	"C16H22O5"	"O5"	"CHO"	16	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.146143697842	295.15400026546	-1.97220147353452	1.97	295	294.823849204284	0.176150795715671	6	0.3125	1.375	1	22.6266710625615	21	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.138050944778	30115889.717357	394.706517993097	"C10H20O5"	"O5"	"CHO"	10	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.130774492618	221.13835020166	-1.35945045701807	1.36	221	220.891126221537	0.10887377846251	1	0.5	2	-4	16.9331595191923	15	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+151.075349373157	50350545.4073705	598.332146285768	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068072920997	151.07535601576	-0.0442639322431944	0.04	151	150.906657288402	0.0933427115975576	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.189691088034	55544925.3493976	583.4515213	"C15H24O"	"O"	"CHO"	15	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.182414635874	221.18999184006	-1.36592209913833	1.37	221	220.942708702948	0.0572912970517905	4	0.0666666666666667	1.6	3	16.9371319529154	16	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+153.054619927045	115079348.259547	324.430873173834	"C8H8O3"	"O3"	"CHO"	8	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.047343474885	153.05462057426	-0.00425666752451206	0	153	152.883717771108	0.116282228892004	5	0.375	1	2	11.6959495478538	11	0.9	18	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+153.054620565435	90123154.5045581	431.164872616436	"C8H8O3"	"O3"	"CHO"	8	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.047344113275	153.05462057426	-5.80411165550166e-05	0	153	152.883718408785	0.116281591214829	5	0.375	1	2	11.6959495478538	11	0.9	18	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.045154148698	28192061.3354649	216.842556782121	"C7H10O8"	"O8"	"CHO"	7	10	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.037877696538	223.04484374956	1.3979557956845	1.4	223	222.796099936983	0.203900063017272	3	1.14285714285714	1.42857142857143	-5	17.0798128690308	15	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.059460211586	79031904.0654299	372.607584756639	"C11H10O5"	"O5"	"CHO"	11	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.052183759426	223.06009988266	-2.88072408539051	2.88	223	222.810390025593	0.189609974406892	7	0.454545454545455	0.909090909090909	2	17.0809864177308	16	0.9	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.059460672288	35254874.83	410.51119880409	"C11H10O5"	"O5"	"CHO"	11	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.052184220128	223.06009988266	-2.87864933295337	2.88	223	222.810390485781	0.189609514219342	7	0.454545454545455	0.909090909090909	2	17.0809864177308	16	0.9	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.059466635477	25868613.9464507	1259.57865638608	"C11H10O5"	"O5"	"CHO"	11	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.052190183317	223.06009988266	-2.85179435722881	2.85	223	222.810396442311	0.189603557688883	7	0.454545454545455	0.909090909090909	2	17.0809864177308	16	0.9	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+405.226999159025	100244422.659936	625.841143662361	"C23H32O6"	"O6"	"CHO"	23	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.219722706865	405.22716520676	-0.410785831692737	0.41	405	404.774519071634	0.225480928365812	8	0.260869565217391	1.39130434782609	2	31.0938375965077	29	0.9	48	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.033924738726	22405842.0847452	674.089991552503	"C7H6O4"	"O4"	"CHO"	7	6	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.026648286566	155.03388513276	0.257137102245852	0.26	155	154.860812473354	0.139187526645998	5	0.571428571428571	0.857142857142857	1	11.8482006677385	11	0.9	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.069908709875	71788883.2239949	158.215718526849	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.062632257715	155.07027063806	-2.34922758173749	2.35	155	154.896756264479	0.103243735520664	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.070193620035	69620753.3314284	215.617277547378	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.062917167875	155.07027063806	-0.499912804532321	0.5	155	154.897040856506	0.102959143493877	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.070194227939	67174462.1670851	315.894166554833	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.062917775779	155.07027063806	-0.495966986177043	0.5	155	154.897041463731	0.102958536268687	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.070197002769	26108154.9185399	849.598361705501	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.062920550609	155.07027063806	-0.47795595950995	0.48	155	154.897044235463	0.102955764537086	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.070453044212	212167384.92872	265.4411157	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.063176592052	155.07027063806	1.18396982346799	1.18	155	154.897299991008	0.10270000899223	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.106737838899	163566087.481518	382.644205143201	"C9H14O2"	"O2"	"CHO"	9	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.099461386739	155.10665614336	0.5301481151192	0.53	155	154.933544269769	0.066455730231155	3	0.222222222222222	1.55555555555556	1	11.8537984377846	11	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.106738159445	191589009.854592	460.97811142882	"C9H14O2"	"O2"	"CHO"	9	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.099461707285	155.10665614336	0.532228238138624	0.53	155	154.933544589957	0.0664554100430621	3	0.222222222222222	1.55555555555556	1	11.8537984377846	11	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155.106738473722	62381059.1401762	519.261089765303	"C9H14O2"	"O2"	"CHO"	9	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.099462021562	155.10665614336	0.534267679621769	0.53	155	154.933544903883	0.0664550961169823	3	0.222222222222222	1.55555555555556	1	11.8537984377846	11	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.049497164346	169197942.011102	126.124757498363	"C7H8O4"	"O4"	"CHO"	7	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.042220712186	157.04953519656	-0.243730278929901	0.24	157	156.874134292797	0.125865707202735	4	0.571428571428571	1.14285714285714	0	12.0032506726462	11	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.08579578477	225758734.949927	202.180021849743	"C8H12O3"	"O3"	"CHO"	8	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.07851933261	157.08592070186	-0.800347738685805	0.8	157	156.910392381857	0.089607618142594	3	0.375	1.5	0	12.0060495576692	11	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.085946439803	56159302.737949	415.192612360958	"C8H12O3"	"O3"	"CHO"	8	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.078669987643	157.08592070186	0.164903653991525	0.16	157	156.910542868668	0.0894571313323524	3	0.375	1.5	0	12.0060495576692	11	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.085947048667	52988993.89	566.682596236221	"C8H12O3"	"O3"	"CHO"	8	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.078670596507	157.08592070186	0.168804660520467	0.17	157	156.910543476852	0.0894565231481863	3	0.375	1.5	0	12.0060495576692	11	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.10127056835	131623983.796894	486.303128790013	"C12H12"	""	"CH"	12	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.09399411619	157.10117683496	0.6004932510911	0.6	157	156.925849886156	0.0741501138441834	7	0	1	7	12.0072231063692	12	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.121883176681	52717463.5798564	415.416374694279	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.114606724521	157.12230620716	-2.70974310395552	2.71	157	156.946439478264	0.0535605217357897	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.12214778151	57243691.33	493.985812144826	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.11487132935	157.12230620716	-1.01480178442031	1.01	157	156.946703787633	0.0532962123669165	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.122148071803	20655657.1677769	573.01349986178	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.114871619643	157.12230620716	-1.01294229919857	1.01	157	156.946704077602	0.0532959223980356	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.122412358733	41144737.2170483	552.3621318	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.115135906573	157.12230620716	0.679956958539315	0.68	157	156.946968069427	0.0530319305732121	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157.122412358791	66574710.6791436	564.486636548962	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.115135906631	157.12230620716	0.679957330115518	0.68	157	156.946968069485	0.0530319305152602	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159.028711879564	122161110.660506	687.795074582142	"C6H6O5"	"O5"	"CHO"	6	6	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.021435427404	159.02879975506	-0.556098580808814	0.56	159	158.851138999183	0.14886100081722	4	0.833333333333333	1	-1	12.1555017925308	11	0.9	14	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159.0287119	298744218.66525	679.0903234	"C6H6O5"	"O5"	"CHO"	6	6	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.02143544784	159.02879975506	-0.555969256658751	0.56	159	158.851139019596	0.148860980404066	4	0.833333333333333	1	-1	12.1555017925308	11	0.9	14	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159.065048479517	22354996.8435978	765.77126777271	"C7H10O4"	"O4"	"CHO"	7	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.057772027357	159.06518526036	-0.865385113639498	0.87	159	158.887435025364	0.112564974636371	3	0.571428571428571	1.42857142857143	-1	12.1583006775538	11	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159.065314866228	55079754.2401579	208.454391594639	"C7H10O4"	"O4"	"CHO"	7	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.058038414068	159.06518526036	0.819989095671219	0.82	159	158.887701114625	0.112298885375139	3	0.571428571428571	1.42857142857143	-1	12.1583006775538	11	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159.080393298643	104971173.720298	529.165812201315	"C11H10O"	"O"	"CHO"	11	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.073116846483	159.08044139346	-0.30425677663039	0.3	159	158.902762710328	0.0972372896724778	7	0.0909090909090909	0.909090909090909	6	12.1594742262538	12	1	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159.101664338253	138714733.86477	320.286503582018	"C8H14O3"	"O3"	"CHO"	8	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.094387886093	159.10157076566	0.591878018182599	0.59	159	158.924009998505	0.0759900014953416	2	0.375	1.75	-1	12.1610995625769	11	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159.116747931192	384563039.254314	167.476159112482	"C12H14"	""	"CH"	12	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.109471479032	159.11682689876	-0.499448687344057	0.5	159	158.939076748969	0.0609232510309425	6	0	1.16666666666667	6	12.1622731112769	12	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161.059565775509	148388766.492078	263.547125076413	"C10H8O2"	"O2"	"CHO"	10	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.052289323349	161.05970595196	-0.875816594807147	0.88	161	160.879725225525	0.120274774475263	7	0.2	0.8	5	12.3117253461385	12	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161.059841052847	109940532.72484	440.655368985429	"C10H8O2"	"O2"	"CHO"	10	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.052564600687	161.05970595196	0.844103231435565	0.84	161	160.880000195486	0.119999804514407	7	0.2	0.8	5	12.3117253461385	12	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161.080687031739	99278267.27	126.12446010485	"C7H12O4"	"O4"	"CHO"	7	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.073410579579	161.08083532416	-0.926402582912589	0.93	161	160.900822897571	0.099177102428655	2	0.571428571428571	1.71428571428571	-2	12.3133506824615	11	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161.096053241534	349810590.301066	167.835810821561	"C11H12O"	"O"	"CHO"	11	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.088776789374	161.09609145726	-0.238715834800683	0.24	161	160.916171949319	0.0838280506807791	6	0.0909090909090909	1.09090909090909	5	12.3145242311615	12	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161.1322773	119976872.733008	616.136024047372	"C12H16"	""	"CH"	12	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.12500084784	161.13247696256	-1.24691683956749	1.25	161	160.952355559678	0.0476444403220739	5	0	1.33333333333333	5	12.3173231161846	12	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161.132277642498	92795667.3147637	689.1473472	"C12H16"	""	"CH"	12	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.125001190338	161.13247696256	-1.24477789547704	1.24	161	160.952355901793	0.0476440982065185	5	0	1.33333333333333	5	12.3173231161846	12	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161.13255179312	46768119.2639037	641.190421766455	"C12H16"	""	"CH"	12	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.12527534096	161.13247696256	0.467325098117379	0.47	161	160.952629746296	0.0473702537035479	5	0	1.33333333333333	5	12.3173231161846	12	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161.132825000752	83685838.0728956	351.979671244083	"C12H16"	""	"CH"	12	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.125548548592	161.13247696256	2.1735331755004	2.17	161	160.952902648862	0.0470973511376087	5	0	1.33333333333333	5	12.3173231161846	12	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.085694816962	143171426.388499	529.977658501523	"C14H12O3"	"O3"	"CHO"	14	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.078418364802	229.08592070186	-0.990382604519335	0.99	229	228.829895683573	0.170104316427171	9	0.214285714285714	0.857142857142857	6	17.5445110961308	17	1	30	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.106631637531	78759415.92628	282.165028456646	"C11H16O5"	"O5"	"CHO"	11	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.099355185371	229.10705007406	-1.83444853959767	1.83	229	228.850809125901	0.149190874099048	4	0.454545454545455	1.45454545454545	-1	17.5461364324538	16	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.106632096122	94104917.130853	329.342286253852	"C11H16O5"	"O5"	"CHO"	11	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.099355643962	229.10705007406	-1.83243804790833	1.83	229	228.85080958398	0.149190416020076	4	0.454545454545455	1.45454545454545	-1	17.5461364324538	16	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.122456513599	244535643.294648	562.949184981486	"C15H16O2"	"O2"	"CHO"	15	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.115180061439	229.12230620716	0.658905904271747	0.66	229	228.866616331771	0.133383668229044	8	0.133333333333333	1.06666666666667	6	17.5473099811538	17	1	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.142936536856	42146840.3824406	708.5249172346	"C12H20O4"	"O4"	"CHO"	12	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.135660084696	229.14343557936	-2.18748136007402	2.19	229	228.887073486851	0.112926513148949	3	0.333333333333333	1.66666666666667	-1	17.5489353174769	16	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305.087525935366	89914726.6741421	413.673558553868	"C12H16O9"	"O9"	"CHO"	12	16	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.080249483206	305.08670856326	2.68801445465106	2.69	305	304.746862478381	0.253137521618783	5	0.75	1.33333333333333	-4	23.3907255470077	21	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+163.039029044666	36789797.884446	988.8897768	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031752592506	163.03897051046	0.361251452683392	0.36	163	162.856978208312	0.143021791688312	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+163.075347751637	43905349.6829508	294.477696096187	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068071299477	163.07535601576	-0.0509916786479983	0.05	163	162.89325636149	0.106743638509954	6	0.2	1	4	12.4667753510462	12	1	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.179711583264	130937345.056988	691.201713685909	"C13H24O3"	"O3"	"CHO"	13	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.172435131104	229.17982108466	-0.479906330201282	0.48	229	228.923807469914	0.0761925300863027	2	0.230769230769231	1.84615384615385	-1	17.5517342025	16	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+231.043967195434	215223117.057696	221.414910136524	"C16H6O2"	"O2"	"CHO"	16	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.036690743274	231.04405588816	-0.385559041511886	0.39	231	230.785981437613	0.214018562387338	14	0.125	0.375	12	17.6951368796923	18	1	34	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+163.075349063808	37020036.9627133	545.340178228091	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068072611648	163.07535601576	-0.0428952593221004	0.04	163	162.893257672196	0.106742327804142	6	0.2	1	4	12.4667753510462	12	1	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+231.079787170668	181509423.841331	187.891790206927	"C17H10O"	"O"	"CHO"	17	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.072510718508	231.08044139346	-2.84355045270194	2.84	231	230.821761415942	0.178238584057681	13	0.0588235294117647	0.588235294117647	12	17.6979357647154	18	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+231.080734007209	39420245.1033279	756.148899046154	"C17H10O"	"O"	"CHO"	17	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.073457555049	231.08044139346	1.27182749416655	1.27	231	230.822707195237	0.177292804762828	13	0.0588235294117647	0.588235294117647	12	17.6979357647154	18	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+231.1226892	132649920.638848	402.660799683661	"C11H18O5"	"O5"	"CHO"	11	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.11541274784	231.12270013786	-0.0475320615783708	0.05	231	230.864615540485	0.13538445951491	3	0.454545454545455	1.63636363636364	-2	17.7011864373615	16	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+163.148031219833	84180821.6258446	674.187147922298	"C12H18"	""	"CH"	12	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.140754767673	163.14812702636	-0.590884920468493	0.59	163	162.965858670676	0.0341413293238588	4	0	1.5	4	12.4723731210923	12	1	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+165.054632733924	32731883.7092753	205.228035063811	"C9H8O3"	"O3"	"CHO"	9	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.047356281764	165.05462057426	0.0741228891798112	0.07	165	164.870331256484	0.129668743516305	6	0.333333333333333	0.888888888888889	3	12.6190264709308	12	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+431.262714401595	40559344.4441578	656.357000952077	"C22H38O8"	"O8"	"CHO"	22	38	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.255437949435	431.26394464276	-2.85932740525734	2.86	431	430.781162601972	0.218837398027915	4	0.363636363636364	1.72727272727273	-4	33.0966667838923	30	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+431.316800515753	36722352.26	705.5575778	"C27H42O4"	"O4"	"CHO"	27	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.309524063593	431.31558628116	2.82177020288786	2.82	431	430.835188323092	0.164811676908187	7	0.148148148148148	1.55555555555556	3	33.1006392176154	31	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+431.38893452368	34227785.3104965	898.82521835065	"C29H50O2"	"O2"	"CHO"	29	50	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.38165807152	431.38835729176	1.34120938754621	1.34	431	430.907241785541	0.0927582144588541	5	0.0689655172413793	1.72413793103448	3	33.1062369876615	31	0.9	60	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+307.226076016633	164088726.604557	401.517613364331	"C19H30O3"	"O3"	"CHO"	19	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.218799564473	307.22677127606	-2.2704661764513	2.27	307	306.883024635523	0.116975364477469	5	0.157894736842105	1.57894736842105	2	23.5553457556846	22	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+165.091063637205	24058915.6173684	635.230465608746	"C10H12O2"	"O2"	"CHO"	10	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.083787185045	165.09100607956	0.35078203630415	0.35	165	164.906721480693	0.0932785193073471	5	0.2	1.2	3	12.6218253559538	12	1	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+165.091063637292	33419147.1558263	637.593690927531	"C10H12O2"	"O2"	"CHO"	10	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.083787185132	165.09100607956	0.350782566513889	0.35	165	164.90672148078	0.0932785192204619	5	0.2	1.2	3	12.6218253559538	12	1	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+165.127220211145	240163667.751388	523.482617082318	"C11H16O"	"O"	"CHO"	11	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.119943758985	165.12739158486	-1.04419798764492	1.04	165	164.942837681879	0.0571623181208452	4	0.0909090909090909	1.45454545454545	3	12.6246242409769	12	1	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.15436343529	39505774.3778621	178.202061645368	"C13H24O8"	"O8"	"CHO"	13	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.14708698313	309.15439419616	-0.0998252824819707	0.1	309	308.809158911221	0.190841088778598	2	0.615384615384615	1.84615384615385	-6	23.7036244418462	21	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+233.137767293096	106145239.684739	497.079485697109	"C11H20O5"	"O5"	"CHO"	11	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.130490840936	233.13835020166	-2.51112450532836	2.51	233	232.87744357938	0.122556420619532	2	0.454545454545455	1.81818181818182	-3	17.8562364422692	16	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+167.070174588906	161248407.9079	503.477790838372	"C9H10O3"	"O3"	"CHO"	9	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.062898136746	167.07027063806	-0.578390206803111	0.58	167	166.883622539424	0.116377460575563	5	0.333333333333333	1.11111111111111	2	12.7740764758385	12	0.9	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+167.070464677693	70181648.97	548.583600747673	"C9H10O3"	"O3"	"CHO"	9	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.063188225533	167.07027063806	1.16846867183842	1.17	167	166.883912304296	0.116087695704323	5	0.333333333333333	1.11111111111111	2	12.7740764758385	12	0.9	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+167.085534268717	20582162.6767591	562.037251522815	"C13H10"	""	"CH"	13	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.078257816557	167.08552677116	0.0451447232864865	0.05	167	166.89896506848	0.101034931520275	9	0	0.769230769230769	9	12.7752500245385	13	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+233.189844144542	22670613.6755034	622.004308629929	"C16H24O"	"O"	"CHO"	16	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.182567692382	233.18999184006	-0.636118031871359	0.64	233	232.929462281349	0.0705377186510816	5	0.0625	1.5	4	17.8602088759923	17	1	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+233.189844604912	26166796.5328439	689.009973791326	"C16H24O"	"O"	"CHO"	16	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.182568152752	233.18999184006	-0.63413523753088	0.63	233	232.929462741205	0.0705372587951558	5	0.0625	1.5	4	17.8602088759923	17	1	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+167.142934262498	147357308.834517	647.20651575035	"C11H18O"	"O"	"CHO"	11	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.135657810338	167.14304164866	-0.64637636143473	0.65	167	166.956300968915	0.0436990310851399	3	0.0909090909090909	1.63636363636364	2	12.7796742458846	12	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+169.049393451754	127015330.645577	225.490641593412	"C8H8O4"	"O4"	"CHO"	8	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.042116999594	169.04953519656	-0.84350761882489	0.84	169	168.860631388809	0.139368611191344	5	0.5	1	1	12.9263275957231	12	0.9	18	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+169.04939644615	40193702.4863982	707.609012359609	"C8H8O4"	"O4"	"CHO"	8	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.04211999399	169.04953519656	-0.825688285644524	0.83	169	168.860634379861	0.139365620138904	5	0.5	1	1	12.9263275957231	12	0.9	18	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.14873770113	70256515.5	483.703325837983	"C16H22O6"	"O6"	"CHO"	16	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.14146124897	311.14891488776	-0.57130907056277	0.57	311	310.801306240939	0.198693759060745	6	0.375	1.375	0	23.8570491104308	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+447.222095357102	446622175.208976	549.51250135672	"C21H34O10"	"O10"	"CHO"	21	34	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	446.214818904942	447.22247375976	-0.84802799448736	0.85	447	446.72272317013	0.277276829870345	5	0.476190476190476	1.61904761904762	-5	34.3242459467385	31	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+235.153665035859	25511311.4222142	552.858307077716	"C11H22O5"	"O5"	"CHO"	11	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.146388583699	235.15400026546	-1.43170946617684	1.43	235	234.891090352715	0.108909647285287	1	0.454545454545455	2	-4	18.0112864471769	16	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+169.122267864849	53425441.2759401	163.11714708744	"C10H16O2"	"O2"	"CHO"	10	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.114991412689	169.12230620716	-0.228071932661484	0.23	169	168.933424429683	0.0665755703170419	3	0.2	1.6	1	12.9319253657692	12	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.1848304	267275728.57463	620.978161370869	"C17H26O5"	"O5"	"CHO"	17	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.17755394784	311.18530039306	-1.51523878505116	1.52	311	310.837358638379	0.162641361620786	5	0.294117647058824	1.52941176470588	0	23.8598479954538	22	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.185566428356	158462113.629742	572.38008321783	"C17H26O5"	"O5"	"CHO"	17	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.178289976196	311.18530039306	0.857685094731804	0.86	311	310.838093844879	0.161906155120562	5	0.294117647058824	1.52941176470588	0	23.8598479954538	22	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.064898239292	27030894.4774987	778.350805456706	"C8H10O4"	"O4"	"CHO"	8	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.057621787132	171.06518526036	-1.68778714525159	1.69	171	170.873885645695	0.126114354304804	4	0.5	1.25	0	13.0813776006308	12	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+235.205451195562	20531701.6259347	685.734903006311	"C16H26O"	"O"	"CHO"	16	26	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.198174743402	235.20564190386	-0.814303092675948	0.81	235	234.942818687529	0.0571813124708456	4	0.0625	1.625	3	18.0152588809	17	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.080509850501	26707395.1986092	493.652820724188	"C12H10O"	"O"	"CHO"	12	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.073233398341	171.08044139346	0.402515079026845	0.4	171	170.88947982484	0.11052017516036	8	0.0833333333333333	0.833333333333333	7	13.0825511493308	13	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.080510166407	25213465.6129754	547.375720745937	"C12H10O"	"O"	"CHO"	12	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.073233714247	171.08044139346	0.404372548819628	0.4	171	170.889480140393	0.110519859607081	8	0.0833333333333333	0.833333333333333	7	13.0825511493308	13	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+313.091089626815	73714704.2069821	397.585049249136	"C14H16O8"	"O8"	"CHO"	14	16	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.083813174655	313.09179394096	-2.25681087975671	2.26	313	312.741489319112	0.258510680888151	7	0.571428571428571	1.14285714285714	-1	24.0065013452923	22	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+313.092577089123	38635978.2710286	438.014775383973	"C14H16O8"	"O8"	"CHO"	14	16	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.085300636963	313.09179394096	2.50940419625908	2.51	313	312.742975120506	0.257024879493883	7	0.571428571428571	1.14285714285714	-1	24.0065013452923	22	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.116849302095	20000077.7055132	540.344512868388	"C13H14"	""	"CH"	13	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.109572849935	171.11682689876	0.131699437215807	0.13	171	170.925778699477	0.0742213005226233	7	0	1.07692307692308	7	13.0853500343538	13	1	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.117149357344	22260939.3101457	486.051718942697	"C13H14"	""	"CH"	13	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.109872905184	171.11682689876	1.89559005895227	1.9	171	170.926078419682	0.0739215803180002	7	0	1.07692307692308	7	13.0853500343538	13	1	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.137875509749	45869913.3517057	265.029387846885	"C10H18O2"	"O2"	"CHO"	10	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.130599057589	171.13795627096	-0.4747012673944	0.47	171	170.94678142908	0.0532185709199382	2	0.2	1.8	0	13.0869753706769	12	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.137876913025	49752446.7611134	484.858728481678	"C10H18O2"	"O2"	"CHO"	10	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.130600460865	171.13795627096	-0.466453035363237	0.47	171	170.946782830789	0.0532171692108534	2	0.2	1.8	0	13.0869753706769	12	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.137877229445	64867274.1986474	563.929029953629	"C10H18O2"	"O2"	"CHO"	10	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.130600777285	171.13795627096	-0.464593169203447	0.46	171	170.946783146856	0.0532168531441641	2	0.2	1.8	0	13.0869753706769	12	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.137877553161	141520223.290595	620.281261165586	"C10H18O2"	"O2"	"CHO"	10	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.130601101001	171.13795627096	-0.462690418359354	0.46	171	170.94678347021	0.053216529789637	2	0.2	1.8	0	13.0869753706769	12	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+171.174648144247	21483386.2194604	1100.85545254351	"C11H22O"	"O"	"CHO"	11	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.167371692087	171.17434177626	1.80039207242419	1.8	171	170.983513002926	0.0164869970741393	1	0.0909090909090909	2	0	13.0897742557	12	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.080595889975	99256677.6137718	183.103610179761	"C8H12O4"	"O4"	"CHO"	8	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.073319437815	173.08083532416	-1.39146606683244	1.39	173	172.887332550374	0.112667449625974	3	0.5	1.5	-1	13.2364276055385	12	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.080901779109	101489125.502986	266.609086698774	"C8H12O4"	"O4"	"CHO"	8	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.073625326949	173.08083532416	0.386200667769644	0.39	173	172.88763809795	0.11236190205048	3	0.5	1.5	-1	13.2364276055385	12	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.095876488337	117011702.766555	513.105728713638	"C12H12O"	"O"	"CHO"	12	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.088600036177	173.09609145726	-1.24917584862893	1.25	173	172.902596086283	0.0974039137165903	7	0.0833333333333333	1	6	13.2376011542385	13	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.095877135651	51519009.6199719	587.833470340927	"C12H12O"	"O"	"CHO"	12	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.088600683491	173.09609145726	-1.24541432817952	1.25	173	172.902596732875	0.0974032671254008	7	0.0833333333333333	1	6	13.2376011542385	13	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.117269921729	122473365.644601	457.983202335545	"C9H16O3"	"O3"	"CHO"	9	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.109993469569	173.11722082946	0.285237759906922	0.29	173	172.923965631577	0.0760343684234499	2	0.333333333333333	1.77777777777778	-1	13.2392264905615	12	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.117574854268	86531399.5240729	325.302313124964	"C9H16O3"	"O3"	"CHO"	9	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.110298402108	173.11722082946	2.05696469825049	2.06	173	172.924270223625	0.0757297763748284	2	0.333333333333333	1.77777777777778	-1	13.2392264905615	12	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.132248282129	98786483.8330212	494.508571679994	"C13H16"	""	"CH"	13	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.124971829969	173.13247696256	-1.32857207497416	1.33	173	172.938927267006	0.0610727329944609	6	0	1.23076923076923	6	13.2404000392615	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.13224860212	62629833.5414104	559.321046185477	"C13H16"	""	"CH"	13	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.12497214996	173.13247696256	-1.32671301054262	1.33	173	172.938927586639	0.0610724133607903	6	0	1.23076923076923	6	13.2404000392615	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173.1328603	58133373.8010453	597.034025840017	"C13H16"	""	"CH"	13	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.12558384784	173.13247696256	2.22707996942475	2.23	173	172.939538601492	0.060461398508096	6	0	1.23076923076923	6	13.2404000392615	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175.075546676806	202239051.974764	340.793831383421	"C11H10O2"	"O2"	"CHO"	11	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.068270224646	175.07535601576	1.0953233794139	1.1	175	174.880055757334	0.119944242665611	7	0.181818181818182	0.909090909090909	5	13.3898522741231	13	1	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175.096375115537	119058373.781775	198.861067783159	"C8H14O4"	"O4"	"CHO"	8	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.089098663377	175.09648538796	-0.633425204952692	0.63	175	174.900860938845	0.0991390611553697	2	0.5	1.75	-2	13.3914776104462	12	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175.096376532593	158158492.298737	415.04188522267	"C8H14O4"	"O4"	"CHO"	8	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.089100080433	175.09648538796	-0.625285367886318	0.63	175	174.900862354318	0.0991376456816511	2	0.5	1.75	-2	13.3914776104462	12	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+317.210354399221	51475367.3472248	717.805477481859	"C20H28O3"	"O3"	"CHO"	20	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.203077947061	317.21112121226	-2.42506506880756	2.43	317	316.856154483673	0.143845516326849	7	0.15	1.4	4	24.3233726738538	23	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175.111613136819	35837424.2996448	632.254189810924	"C12H14O"	"O"	"CHO"	12	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.104336684659	175.11174152106	-0.737398294916963	0.74	175	174.916081945216	0.0839180547840783	6	0.0833333333333333	1.16666666666667	5	13.3926511591462	13	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175.147998308558	24514391.4376068	316.301242819515	"C13H18"	""	"CH"	13	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.140721856398	175.14812702636	-0.739159690089292	0.74	175	174.952426488947	0.0475735110528888	5	0	1.38461538461538	5	13.3954500441692	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175.147999717578	146755087.996796	566.063185899895	"C13H18"	""	"CH"	13	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.140723265418	175.14812702636	-0.731068411862183	0.73	175	174.952427896394	0.0475721036061998	5	0	1.38461538461538	5	13.3954500441692	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175.147999717724	123432047.973146	537.524051582438	"C13H18"	""	"CH"	13	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.140723265564	175.14812702636	-0.731067573445842	0.73	175	174.95242789654	0.047572103460368	5	0	1.38461538461538	5	13.3954500441692	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175.148310441846	57300598.6	480.076479927079	"C13H18"	""	"CH"	13	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.141033989686	175.14812702636	1.05325828047733	1.05	175	174.952738273704	0.0472617262956874	5	0	1.38461538461538	5	13.3954500441692	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.039422752008	107904667.033785	679.22765388621	"C6H8O6"	"O6"	"CHO"	6	8	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.032146299848	177.03936444116	0.331251133557244	0.33	177	176.841738950966	0.158261049033626	3	1	1.33333333333333	-3	13.5409298453077	12	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.039738502911	220036945.373964	611.316744984922	"C6H8O6"	"O6"	"CHO"	6	8	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.032462050751	177.03936444116	2.12495892325623	2.12	177	176.842054349299	0.157945650700896	3	1	1.33333333333333	-3	13.5409298453077	12	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+241.21591176674	25551213.0445146	700.579707232378	"C15H28O2"	"O2"	"CHO"	15	28	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.20863531458	241.21620658996	-1.22736311963358	1.23	241	240.946567924738	0.0534320752616111	2	0.133333333333333	1.86666666666667	0	18.4776100106	17	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.090640294028	183010565.503997	391.287641439995	"C11H12O2"	"O2"	"CHO"	11	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.083363841868	177.09100607956	-2.07734293592824	2.08	177	176.892899303021	0.10710069697862	6	0.181818181818182	1.09090909090909	4	13.5449022790308	13	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.090957255896	46473114.0370035	523.562339978632	"C11H12O2"	"O2"	"CHO"	11	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.083680803736	177.09100607956	-0.277275348740599	0.28	177	176.893215910967	0.106784089033056	6	0.181818181818182	1.09090909090909	4	13.5449022790308	13	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.112147092172	320352268.890846	479.197218246844	"C8H16O4"	"O4"	"CHO"	8	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.104870640012	177.11213545176	0.0660993188635575	0.07	177	176.914382086482	0.0856179135175523	1	0.5	2	-3	13.5465276153538	12	0.9	18	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.127013874068	165763840.323861	514.069110797027	"C12H16O"	"O"	"CHO"	12	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.119737421908	177.12739158486	-2.14462500063465	2.14	177	176.929232267997	0.07076773200302	5	0.0833333333333333	1.33333333333333	4	13.5477011640538	13	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.127330536075	102741553.64397	551.3099138	"C12H16O"	"O"	"CHO"	12	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.120054083915	177.12739158486	-0.346631650309378	0.35	177	176.929548576416	0.0704514235836484	5	0.0833333333333333	1.33333333333333	4	13.5477011640538	13	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.127330871385	89379080.665226	630.395186996378	"C12H16O"	"O"	"CHO"	12	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.120054419225	177.12739158486	-0.344727777846506	0.34	177	176.929548911352	0.0704510886480705	5	0.0833333333333333	1.33333333333333	4	13.5477011640538	13	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.1633986	35330048.1068321	623.304947830693	"C13H20"	""	"CH"	13	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.15612214784	177.16377709016	-2.14860633511993	2.15	177	176.965576366419	0.0344236335810422	4	0	1.53846153846154	4	13.5505000490769	13	1	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.163714368589	41390516.0614209	480.903419735464	"C13H20"	""	"CH"	13	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.156437916429	177.16377709016	-0.356056081402191	0.36	177	176.965891782418	0.0341082175820588	4	0	1.53846153846154	4	13.5505000490769	13	1	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.163715031585	77637466.3417922	605.673317012682	"C13H20"	""	"CH"	13	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.156438579425	177.16377709016	-0.352292402693533	0.35	177	176.965892444674	0.0341075553263579	4	0	1.53846153846154	4	13.5505000490769	13	1	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177.163715381495	35926202.0202333	682.29791590898	"C13H20"	""	"CH"	13	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.156438929335	177.16377709016	-0.350306042687191	0.35	177	176.965892794193	0.0341072058070893	4	0	1.53846153846154	4	13.5505000490769	13	1	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.0702823	42432889.5386068	126.124717972286	"C10H10O3"	"O3"	"CHO"	10	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.06300584784	179.07027063806	0.0654933344392238	0.07	179	178.870330823044	0.129669176955758	6	0.3	1	3	13.6971533989154	13	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.070335262278	70135159.3091399	262.600314189759	"C10H10O3"	"O3"	"CHO"	10	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.063058810118	179.07027063806	0.362928832235536	0.36	179	178.870383726184	0.129616273815913	6	0.3	1	3	13.6971533989154	13	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.07060531447	358399345.6	361.483923618982	"C10H10O3"	"O3"	"CHO"	10	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.06332886231	179.07027063806	1.87953584893503	1.88	179	178.870653476833	0.129346523166618	6	0.3	1	3	13.6971533989154	13	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.085113577331	200312048.907954	176.468361964979	"C14H10"	""	"CH"	14	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.077837125171	179.08552677116	-2.32029900906858	2.32	179	178.885145539638	0.114854460361556	10	0	0.714285714285714	10	13.6983269476154	14	1	30	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+247.096595224417	41126878.9442782	517.074074344872	"C14H14O4"	"O4"	"CHO"	14	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.089318772257	247.09648538796	0.446327607991183	0.45	247	246.820684958731	0.179315041269007	8	0.285714285714286	1	4	18.9299391489077	18	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+247.132563190861	86853905.3075488	500.376404016951	"C15H18O3"	"O3"	"CHO"	15	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.125286738701	247.13287089326	-1.25018604579818	1.25	247	246.856612763022	0.143387236977674	7	0.2	1.2	4	18.9327380339308	18	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.14297825563	123785238.326766	569.4815773693	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.13570180347	179.14304164866	-0.355869313944434	0.36	179	178.942945605721	0.0570543942792767	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.142978255892	53441536.1165469	535.368205265494	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.135701803732	179.14304164866	-0.355867843203824	0.36	179	178.942945605982	0.0570543940175696	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.142978948689	38495866.6367734	687.860542894354	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.135702496529	179.14304164866	-0.351978688738804	0.35	179	178.942946298006	0.0570537019941355	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.143301	64460429.1873069	706.291954409187	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.13602454784	179.14304164866	1.45591741298978	1.46	179	178.943267989712	0.0567320102884992	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179.143301035373	55171779.7356824	715.350744421009	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.136024583213	179.14304164866	1.45611598570656	1.46	179	178.943268025045	0.0567319749549995	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+181.049635523905	185928094.916209	794.377502871597	"C9H8O4"	"O4"	"CHO"	9	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.042359071745	181.04953519656	0.557243004040863	0.56	181	180.847473883457	0.152526116543299	6	0.444444444444444	0.888888888888889	2	13.8494045188	13	0.9	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.075478055744	61076227.28	358.943660584986	"C13H12O5"	"O5"	"CHO"	13	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.068201603584	249.07574994646	-1.09603211642579	1.1	249	248.79735815181	0.202641848190012	8	0.384615384615385	0.923076923076923	3	19.0821902687923	18	0.9	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.236429457003	67693261.67	680.503134098919	"C19H32O4"	"O4"	"CHO"	19	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.229153004843	325.23733596216	-2.79587800353349	2.8	325	324.873267554344	0.126732445655989	4	0.210526315789474	1.68421052631579	0	24.9407738084615	23	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+181.085599235406	63555557.8101396	655.655259845481	"C10H12O3"	"O3"	"CHO"	10	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.078322783246	181.08592070186	-1.78514797918196	1.79	181	180.883397437556	0.116602562443859	5	0.3	1.2	2	13.8522034038231	13	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.111880929162	29565929.3019238	642.200942893089	"C14H16O4"	"O4"	"CHO"	14	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.104604477002	249.11213545176	-1.02586809517363	1.03	249	248.833720377454	0.166279622545659	7	0.285714285714286	1.14285714285714	3	19.0849891538154	18	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.111881421301	37134851.8323373	699.206301250018	"C14H16O4"	"O4"	"CHO"	14	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.104604969141	249.11213545176	-1.02388449832106	1.02	249	248.833720869044	0.166279130956184	7	0.285714285714286	1.14285714285714	3	19.0849891538154	18	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+181.158541822123	30201903.5222842	641.5670959	"C12H20O"	"O"	"CHO"	12	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.151265369963	181.15869171246	-0.832024891446555	0.83	181	180.956258575929	0.0437414240708165	3	0.0833333333333333	1.66666666666667	2	13.8578011738692	13	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.148289361848	74870424.877063	555.029994489121	"C15H20O3"	"O3"	"CHO"	15	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.141012909688	249.14852095706	-0.933320974685929	0.93	249	248.870088156159	0.129911843840887	6	0.2	1.33333333333333	3	19.0877880388385	18	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.14828983264	146784470.837123	617.102549929766	"C15H20O3"	"O3"	"CHO"	15	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.14101338048	249.14852095706	-0.931423696861106	0.93	249	248.870088626425	0.129911373574572	6	0.2	1.33333333333333	3	19.0877880388385	18	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+183.080265933829	40611893.6312276	668.380999169441	"C13H10O"	"O"	"CHO"	13	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.072989481669	183.08044139346	-0.963677432379142	0.96	183	182.875836873324	0.124163126675825	9	0.0769230769230769	0.769230769230769	8	14.0056280724077	14	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+183.0805983	30009486.7650678	668.783943079033	"C13H10O"	"O"	"CHO"	13	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.07332184784	183.08044139346	0.861776664436486	0.86	183	182.876168868372	0.123831131627867	9	0.0769230769230769	0.769230769230769	8	14.0056280724077	14	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+183.10120921319	68593804.9255498	548.781324347459	"C10H14O3"	"O3"	"CHO"	10	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.09393276103	183.10157076566	-1.98552727438303	1.99	183	182.896756767232	0.103243232767653	4	0.3	1.4	1	14.0072534087308	13	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+183.101540976288	1295029148.7285	425.465634432286	"C10H14O3"	"O3"	"CHO"	10	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.094264524128	183.10157076566	-0.163593137242521	0.16	183	182.897088159881	0.102911840119305	4	0.3	1.4	1	14.0072534087308	13	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+183.101541686054	382276993.61676	537.622954066166	"C10H14O3"	"O3"	"CHO"	10	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.094265233894	183.10157076566	-0.159695342251206	0.16	183	182.897088868854	0.102911131145845	4	0.3	1.4	1	14.0072534087308	13	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.184709150717	36236197.5540583	928.167447296722	"C16H24O2"	"O2"	"CHO"	16	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.177432698557	249.18490646236	-0.795042646952411	0.8	249	248.906467278367	0.0935327216334656	5	0.125	1.5	3	19.0905869238615	18	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+367.101864488525	181566239.443917	304.193896980526	"C17H18O9"	"O9"	"CHO"	17	18	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.094588036365	367.10235862706	-1.34975645945954	1.35	367	366.691955267101	0.308044732898622	9	0.529411764705882	1.05882352941176	0	28.1611601673	26	0.9	36	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329.159737818459	121968964.035363	471.395517617284	"C16H24O7"	"O7"	"CHO"	16	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.152461366299	329.15947957386	0.78696529640219	0.79	329	328.792195114634	0.20780488536559	5	0.4375	1.5	-2	25.2424771632077	23	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185.081036963993	34693844.926424	383.199684514465	"C9H12O4"	"O4"	"CHO"	9	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.073760511833	185.08083532416	1.09542953017086	1.1	185	184.874373824682	0.12562617531816	4	0.444444444444444	1.33333333333333	0	14.1595045286154	13	0.9	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329.195002515318	353623630.054882	631.622401526547	"C17H28O6"	"O6"	"CHO"	17	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.187726063158	329.19586507916	-2.62826356234262	2.63	329	328.827420434618	0.172579565382136	4	0.352941176470588	1.64705882352941	-2	25.2452760482308	23	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185.153365518928	87750587.7988955	530.019272600975	"C11H20O2"	"O2"	"CHO"	11	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.146089066768	185.15360633476	-1.30774339667647	1.31	185	184.946621616906	0.053378383093758	2	0.181818181818182	1.81818181818182	0	14.1651022986615	13	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185.15370431283	55770736.754425	661.303285010504	"C11H20O2"	"O2"	"CHO"	11	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.14642786067	185.15360633476	0.532066090698407	0.53	185	184.946960032508	0.0530399674920545	2	0.181818181818182	1.81818181818182	0	14.1651022986615	13	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185.15370575437	20053806.3499105	927.9974854	"C11H20O2"	"O2"	"CHO"	11	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.14642930221	185.15360633476	0.539894313302728	0.54	185	184.946961472438	0.0530385275616823	2	0.181818181818182	1.81818181818182	0	14.1651022986615	13	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.060281671329	175469499.849053	130.280171473231	"C8H10O5"	"O5"	"CHO"	8	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.053005219169	187.06009988266	0.977079992856789	0.98	187	186.851408489696	0.148591510304129	4	0.625	1.25	-1	14.3117556485	13	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.0756398	23869581.9170081	466.095381	"C12H10O2"	"O2"	"CHO"	12	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.06836334784	187.07535601576	1.52516115523875	1.53	187	186.866749469343	0.133250530656795	8	0.166666666666667	0.833333333333333	6	14.3129291972	14	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.096242074815	85917318.58	349.635162114976	"C9H14O4"	"O4"	"CHO"	9	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.088965622655	187.09648538796	-1.30750979345827	1.31	187	186.887328739474	0.112671260525929	3	0.444444444444444	1.55555555555556	-1	14.3145545335231	13	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.096584719501	137732425.286826	275.494993884081	"C9H14O4"	"O4"	"CHO"	9	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.089308267341	187.09648538796	0.533784245496757	0.53	187	186.88767100156	0.112328998440034	3	0.444444444444444	1.55555555555556	-1	14.3145545335231	13	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.096585874517	108329239.797797	429.798991594445	"C9H14O4"	"O4"	"CHO"	9	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.089309422357	187.09648538796	0.539991025277949	0.54	187	186.887672155286	0.112327844713747	3	0.444444444444444	1.55555555555556	-1	14.3145545335231	13	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.111354631899	276404808.595968	152.067814465545	"C13H14O"	"O"	"CHO"	13	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.104078179739	187.11174152106	-2.07888599105906	2.08	187	186.902424421742	0.0975755782581871	7	0.0769230769230769	1.07692307692308	6	14.3157280822231	14	1	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.132650641276	64729771.7937871	600.311240895083	"C10H18O3"	"O3"	"CHO"	10	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.125374189116	187.13287089326	-1.1833528069418	1.18	187	186.923696651805	0.0763033481954949	2	0.3	1.8	-1	14.3173534185462	13	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+333.117750541239	50666396.1325807	396.23390841223	"C14H20O9"	"O9"	"CHO"	14	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.110474089079	333.11800869086	-0.7773004501354	0.78	333	332.745788285049	0.254211714951111	5	0.642857142857143	1.42857142857143	-4	25.5469794029769	23	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.14776614432	66188216.7025162	622.277414430912	"C14H18"	""	"CH"	14	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.14048969216	187.14812702636	-1.93876163419132	1.94	187	186.938795276743	0.0612047232572195	6	0	1.28571428571429	6	14.3185269672462	14	1	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.147766514038	34882259.6162209	686.64343398261	"C14H18"	""	"CH"	14	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.140490061878	187.14812702636	-1.93677539935456	1.94	187	186.938795646048	0.0612043539520357	6	0	1.28571428571429	6	14.3185269672462	14	1	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187.148110420353	22635313.8725632	726.238144504575	"C14H18"	""	"CH"	14	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.140833968193	187.14812702636	-0.0892120586352225	0.09	187	186.939139168354	0.0608608316459254	6	0	1.28571428571429	6	14.3185269672462	14	1	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189.054862134823	89345408.79	526.475171182285	"C11H8O3"	"O3"	"CHO"	11	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.047585682663	189.05462057426	1.28457146687948	1.28	189	188.843761786826	0.156238213174419	8	0.272727272727273	0.727272727272727	5	14.4651803170846	14	1	24	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189.075706307476	63573412.2698341	159.140435764443	"C8H12O5"	"O5"	"CHO"	8	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.068429855316	189.07574994646	-0.232037796263614	0.23	189	188.864582684689	0.135417315310832	3	0.625	1.5	-2	14.4668056534077	13	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189.09044750283	162306180.525514	541.037677818399	"C12H12O2"	"O2"	"CHO"	12	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.08317105067	189.09100607956	-2.96983896482802	2.97	189	188.879307419893	0.12069258010726	7	0.166666666666667	1	5	14.4679792021077	14	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+253.215502493355	24303701.7111489	689.582293665653	"C16H28O2"	"O2"	"CHO"	16	28	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.208226041195	253.21620658996	-2.79172735979905	2.79	253	252.932759801149	0.0672401988512945	3	0.125	1.75	1	19.4006869336769	18	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.086011044712	22377523.7478372	201.243143319311	"C12H14O6"	"O6"	"CHO"	12	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.078734592552	255.08631463256	-1.19485736772085	1.19	255	254.801179725947	0.198820274053105	6	0.5	1.16666666666667	0	19.5445413984923	18	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.086344363896	32761740.0564573	331.207912534824	"C12H14O6"	"O6"	"CHO"	12	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.079067911736	255.08631463256	0.117016077827748	0.12	255	254.801512672944	0.198487327056284	6	0.5	1.16666666666667	0	19.5445413984923	18	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189.127435633917	324448659.218895	449.428145	"C13H16O"	"O"	"CHO"	13	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.120159181757	189.12739158486	0.234153836577311	0.23	189	188.916254249702	0.0837457502978509	6	0.0769230769230769	1.23076923076923	5	14.4707780871308	14	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189.14837971364	23123217.0732313	344.729953492179	"C10H20O3"	"O3"	"CHO"	10	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.14110326148	189.14852095706	-0.750731326483951	0.75	189	188.937174943079	0.0628250569213833	1	0.3	2	-2	14.4724034234538	13	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189.148380502661	101041741.232082	456.37442202229	"C10H20O3"	"O3"	"CHO"	10	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.141104050501	189.14852095706	-0.746537550690195	0.75	189	188.937175731219	0.0628242687813838	1	0.3	2	-2	14.4724034234538	13	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189.163393239819	73655288.32	667.150516194042	"C14H20"	""	"CH"	14	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.156116787659	189.16377709016	-2.04006304752136	2.04	189	188.95217170502	0.047828294979837	5	0	1.42857142857143	5	14.4735769721538	14	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189.164091108016	36647473.3841885	629.532613106338	"C14H20"	""	"CH"	14	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.156814655856	189.16377709016	1.66891566788678	1.67	189	188.952868793971	0.0471312060286948	5	0	1.42857142857143	5	14.4735769721538	14	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+191.055028080515	52272673.3848668	161.772962904138	"C7H10O6"	"O6"	"CHO"	7	10	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.047751628355	191.05501450496	0.0714323367227086	0.07	191	190.841694329354	0.15830567064603	3	0.857142857142857	1.42857142857143	-3	14.6190567732923	13	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+339.165245343684	86814339.54	315.32955432411	"C14H26O9"	"O9"	"CHO"	14	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.157968891524	339.16495888226	0.847123091507307	0.85	339	338.786530400772	0.213469599228347	2	0.642857142857143	1.85714285714286	-7	26.0121294177	23	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+191.106423618302	241772634.940341	401.758578920957	"C12H14O2"	"O2"	"CHO"	12	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.099147166142	191.10665614336	-1.22317780735096	1.22	191	190.893032478424	0.106967521575683	6	0.166666666666667	1.16666666666667	4	14.6230292070154	14	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.159073713115	170791551.615104	629.662543549788	"C14H22O4"	"O4"	"CHO"	14	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.151797260955	255.15908564316	-0.0469406281914921	0.05	255	254.874160811922	0.125839188078345	4	0.285714285714286	1.57142857142857	0	19.5501391685385	18	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.19517525889	148350166.41735	639.559757030591	"C15H26O3"	"O3"	"CHO"	15	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.18789880673	255.19547114846	-1.16405844411412	1.16	255	254.910222046388	0.0897779536118719	3	0.2	1.73333333333333	0	19.5529380535615	18	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+191.106425115313	272366441.162526	591.5877325	"C12H14O2"	"O2"	"CHO"	12	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.099148663153	191.10665614336	-1.21530290185897	1.22	191	190.893033973764	0.106966026236279	6	0.166666666666667	1.16666666666667	4	14.6230292070154	14	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+191.127695772814	21225097.3874204	320.254485818984	"C9H18O4"	"O4"	"CHO"	9	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.120419320654	191.12778551556	-0.472031075385772	0.47	191	190.914280880259	0.0857191197414409	1	0.444444444444444	2	-3	14.6246545433385	13	0.9	20	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+257.101317993588	96028582.3243489	413.215250754874	"C12H16O6"	"O6"	"CHO"	12	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.094041541428	257.10196469636	-2.5252550511568	2.53	257	256.81423636508	0.185763634920136	5	0.5	1.33333333333333	-1	19.6995914034	18	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+191.179122149082	29883830.5684928	748.206949166517	"C14H22"	""	"CH"	14	22	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.171845696922	191.17942715396	-1.60383823850252	1.6	191	190.965649833375	0.0343501666246198	4	0	1.57142857142857	4	14.6286269770615	14	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+193.03419465889	25661012.3479961	570.479752234975	"C6H8O7"	"O7"	"CHO"	6	8	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.02691820673	193.03427906346	-0.439545511596473	0.44	193	192.818650952646	0.181349047353507	3	1.16666666666667	1.33333333333333	-4	14.7713078931769	13	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+257.138937840479	21509397.9260232	239.640818650313	"C13H20O5"	"O5"	"CHO"	13	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.131661388319	257.13835020166	2.29428418114316	2.29	257	256.851814205314	0.148185794686242	4	0.384615384615385	1.53846153846154	-1	19.7023902884231	18	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.060810161849	131698366.38028	306.303104729377	"C21H10O5"	"O5"	"CHO"	21	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.053533709689	343.06009988266	2.0765146944482	2.08	343	342.677745396459	0.322254603540614	17	0.238095238095238	0.476190476190476	12	26.3117556485	26	1	44	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+257.1892988	109326428.810938	481.207835147204	"C18H24O"	"O"	"CHO"	18	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.18202234784	257.18999184006	-2.70526422426389	2.71	257	256.902118931337	0.0978810686625025	7	0.0555555555555556	1.33333333333333	6	19.7063627221462	19	1	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+193.08566932306	78682385.3160888	533.532762325534	"C11H12O3"	"O3"	"CHO"	11	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.0783928709	193.08592070186	-1.30873023383092	1.31	193	192.870068139747	0.129931860253379	6	0.272727272727273	1.09090909090909	3	14.7752803269	14	0.9	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+257.225835145228	71602840.6052474	737.663314	"C19H28"	""	"CH"	19	28	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.218558693068	257.22637734536	-2.11616260250643	2.12	257	256.938614479756	0.0613855202440163	6	0	1.47368421052632	6	19.7091616071692	19	1	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+259.117335579209	119671996.035182	280.279991122528	"C12H18O6"	"O6"	"CHO"	12	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.110059127049	259.11761476016	-1.08163529907137	1.08	259	258.828002847455	0.171997152545487	4	0.5	1.5	-2	19.8546414083077	18	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.139271121947	22776609.220408	550.824278018571	"C16H22O8"	"O8"	"CHO"	16	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.131994669787	343.13874413236	1.54031074325601	1.54	343	342.756118746348	0.243881253651637	6	0.5	1.375	-2	26.3178052061692	24	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+193.158416876848	66824842.5	534.08724134766	"C13H20O"	"O"	"CHO"	13	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.151140424688	193.15869171246	-1.43030955421999	1.43	193	192.942734462966	0.0572655370338282	4	0.0769230769230769	1.53846153846154	3	14.7808780969462	14	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+193.158777480649	52283892.8636436	603.228373770017	"C13H20O"	"O"	"CHO"	13	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.151501028489	193.15869171246	0.446357111635054	0.45	193	192.943094664114	0.0569053358862561	4	0.0769230769230769	1.53846153846154	3	14.7808780969462	14	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+193.158778623119	24158813.4295672	799.70337448269	"C13H20O"	"O"	"CHO"	13	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.151502170959	193.15869171246	0.45230278190382	0.45	193	192.943095805308	0.0569041946919526	4	0.0769230769230769	1.53846153846154	3	14.7808780969462	14	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+193.159138101845	39856366.0920485	652.886061866422	"C13H20O"	"O"	"CHO"	13	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.151861649685	193.15869171246	2.32310726088107	2.32	193	192.943454882637	0.0565451173631004	4	0.0769230769230769	1.53846153846154	3	14.7808780969462	14	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195.050484057154	35684879.0143421	192.843487962193	"C6H10O7"	"O7"	"CHO"	6	10	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.043207604994	195.04992912726	2.85982643173901	2.86	195	194.832688944156	0.167311055844294	2	1.16666666666667	1.66666666666667	-5	14.9263578980846	13	0.9	14	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+345.153386632591	67502234.8446268	586.045847239487	"C16H24O8"	"O8"	"CHO"	16	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.146110180431	345.15439419616	-2.92772034675767	2.93	345	344.76798527762	0.232014722380086	5	0.5	1.5	-3	26.4728552110769	24	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.132519162283	40871233.0557649	641.424390364091	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125242710123	285.13326482396	-2.62441193147405	2.62	285	284.814137644131	0.185862355869176	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+259.19011744636	36709400.2488226	752.6198606195	"C14H26O4"	"O4"	"CHO"	14	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.1828409942	259.19038577076	-1.03928053066403	1.04	259	258.900703445722	0.0992965542776005	2	0.285714285714286	1.85714285714286	-2	19.8602391783538	18	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195.101305796369	216420241.154642	393.632255338758	"C11H14O3"	"O3"	"CHO"	11	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.094029344209	195.10157076566	-1.36515941219305	1.37	195	194.883453935363	0.116546064637333	5	0.272727272727273	1.27272727272727	2	14.9303303318077	14	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195.101306595016	188419268.263884	470.057621588623	"C11H14O3"	"O3"	"CHO"	11	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.094030142856	195.10157076566	-1.36104466372816	1.36	195	194.883454733118	0.116545266882099	5	0.272727272727273	1.27272727272727	2	14.9303303318077	14	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195.101306955531	112490834.688921	563.177702590349	"C11H14O3"	"O3"	"CHO"	11	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.094030503371	195.10157076566	-1.35918723687139	1.36	195	194.88345509323	0.116544906769661	5	0.272727272727273	1.27272727272727	2	14.9303303318077	14	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195.101673011887	34956784.6603303	590.726382842858	"C11H14O3"	"O3"	"CHO"	11	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.094396559727	195.10157076566	0.526786083470612	0.53	195	194.883820740845	0.116179259155473	5	0.272727272727273	1.27272727272727	2	14.9303303318077	14	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+261.148641982929	99605443.83	603.541433667251	"C16H20O3"	"O3"	"CHO"	16	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.141365530769	261.14852095706	0.465231159119238	0.47	261	260.857041076297	0.142958923702736	7	0.1875	1.25	4	20.0108649619154	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+261.169596552654	61288745.6339155	589.256127523527	"C13H24O5"	"O5"	"CHO"	13	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.162320100494	261.16965032926	-0.206704052861045	0.21	261	260.877972247963	0.122027752037468	2	0.384615384615385	1.84615384615385	-3	20.0124902982385	18	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+261.170161949777	65532261.471101	518.925320372871	"C13H24O5"	"O5"	"CHO"	13	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.162885497617	261.16965032926	1.96653921663979	1.97	261	260.878537013758	0.121462986241966	2	0.384615384615385	1.84615384615385	-3	20.0124902982385	18	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195.174098672467	20318376.5842127	478.723635492621	"C13H22O"	"O"	"CHO"	13	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.166822220307	195.17434177626	-1.25203569907944	1.25	195	194.956165530285	0.0438344697150796	3	0.0769230769230769	1.69230769230769	2	14.9359281018538	14	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195.174464925586	46616216.9502507	539.876853208591	"C13H22O"	"O"	"CHO"	13	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.167188473426	195.17434177626	0.63424375124747	0.63	195	194.956531374442	0.0434686255575798	3	0.0769230769230769	1.69230769230769	2	14.9359281018538	14	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.080339332179	49255249.9217599	199.575437176967	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073062880019	197.08083532416	-2.52962836264469	2.53	197	196.860277664647	0.13972233535327	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.080710976176	116773273.210649	266.714963737838	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073434524016	197.08083532416	-0.634190880139342	0.63	197	196.860648893663	0.139351106337301	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.080711370722	163410080.852839	336.756270753007	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073434918562	197.08083532416	-0.632178642881782	0.63	197	196.860649287768	0.139350712231817	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.080711785411	113426326.141958	397.104243105918	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073435333251	197.08083532416	-0.63006367376697	0.63	197	196.860649701994	0.139350298005866	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.080712592218	70675416.8617558	479.689570275307	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073436140058	197.08083532416	-0.625948850746787	0.63	197	196.8606505079	0.139349492099768	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.14851971634	136425803.284235	390.974019834917	"C12H22O6"	"O6"	"CHO"	12	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.14124326418	263.14891488776	-1.50747518808947	1.51	263	262.854685728365	0.145314271634959	2	0.5	1.83333333333333	-4	20.1647414181231	18	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.163819110387	259596125.240035	546.375731748164	"C16H22O3"	"O3"	"CHO"	16	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.156542658227	263.16417102086	-1.34236769157847	1.34	263	262.869968038972	0.13003196102801	6	0.1875	1.375	3	20.1659149668231	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.163819607727	275477507.754538	593.941935	"C16H22O3"	"O3"	"CHO"	16	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.156543155567	263.16417102086	-1.34047057822559	1.34	263	262.869968535757	0.130031464243302	6	0.1875	1.375	3	20.1659149668231	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.153501295288	68506575.6587014	578.190073420853	"C12H20O2"	"O2"	"CHO"	12	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.146224843128	197.15360633476	-0.535516154276825	0.54	197	196.933357934454	0.0666420655458637	3	0.166666666666667	1.66666666666667	1	15.0881792217385	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.153501667965	59925115.377994	645.51245937751	"C12H20O2"	"O2"	"CHO"	12	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.146225215805	197.15360633476	-0.533616157514563	0.53	197	196.933358306715	0.0666416932850211	3	0.166666666666667	1.66666666666667	1	15.0881792217385	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.1535020573	130850312.847297	697.028510939913	"C12H20O2"	"O2"	"CHO"	12	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.14622560514	197.15360633476	-0.531631234316889	0.53	197	196.933358695615	0.066641304384774	3	0.166666666666667	1.66666666666667	1	15.0881792217385	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+197.189594388953	38140943.4304998	663.60434963523	"C13H24O"	"O"	"CHO"	13	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.182317936793	197.18999184006	-2.02592726595045	2.03	197	196.969410726248	0.0305892737517013	2	0.0769230769230769	1.84615384615385	1	15.0909781067615	14	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+199.059863859595	64423692.5828482	260.401109956204	"C9H10O5"	"O5"	"CHO"	9	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.052587407435	199.06009988266	-1.19171916951559	1.19	199	198.837591837291	0.162408162708829	5	0.555555555555556	1.11111111111111	0	15.2348325715769	14	0.9	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+199.096425160656	219826149.257284	273.537102928437	"C10H14O4"	"O4"	"CHO"	10	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.089148708496	199.09648538796	-0.304041409623532	0.3	199	198.874112313677	0.125887686323239	4	0.4	1.4	0	15.2376314566	14	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.085380461518	229054657.465192	192.484144128907	"C17H12O3"	"O3"	"CHO"	17	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.078104009358	265.08592070186	-2.04575969680392	2.05	265	264.789383757532	0.21061624246812	12	0.176470588235294	0.705882352941177	9	20.3137418653615	20	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+199.096426389748	145875308.717268	452.636212558704	"C10H14O4"	"O4"	"CHO"	10	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.089149937588	199.09648538796	-0.29783666611936	0.3	199	198.874113541396	0.125886458603645	4	0.4	1.4	0	15.2376314566	14	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+199.096426389777	77849644.3256568	411.903345925123	"C10H14O4"	"O4"	"CHO"	10	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.089149937617	199.09648538796	-0.297836519626865	0.3	199	198.874113541425	0.125886458574655	4	0.4	1.4	0	15.2376314566	14	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.128242926885	177410863.610612	165.527702987117	"C11H20O7"	"O7"	"CHO"	11	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.120966474725	265.12817944626	0.240346784411027	0.24	265	264.832198362287	0.167801637712898	2	0.636363636363636	1.81818181818182	-5	20.3169925380077	18	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.128242926885	65394892.2966515	164.788837031027	"C11H20O7"	"O7"	"CHO"	11	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.120966474725	265.12817944626	0.240346784411027	0.24	265	264.832198362287	0.167801637712898	2	0.636363636363636	1.81818181818182	-5	20.3169925380077	18	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+199.132999312453	38396310.6911666	594.338762956433	"C11H18O3"	"O3"	"CHO"	11	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.125722860293	199.13287089326	0.648170218132384	0.65	199	198.910645626449	0.0893543735508615	3	0.272727272727273	1.63636363636364	0	15.2404303416231	14	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+199.168827191644	53026012.2938136	691.0287488	"C12H22O2"	"O2"	"CHO"	12	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.161550739484	199.16925639856	-2.16594447514382	2.17	199	198.94643349991	0.0535665000898291	2	0.166666666666667	1.83333333333333	0	15.2432292266462	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+199.169204374221	60073951.7495473	661.200767398167	"C12H22O2"	"O2"	"CHO"	12	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.161927922061	199.16925639856	-0.262534481492313	0.26	199	198.946810261322	0.0531897386782703	2	0.166666666666667	1.83333333333333	0	15.2432292266462	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+199.169205565725	34707392.7894407	855.6746479	"C12H22O2"	"O2"	"CHO"	12	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.161929113565	199.16925639856	-0.256521700349995	0.26	199	198.946811451495	0.0531885485047212	2	0.166666666666667	1.83333333333333	0	15.2432292266462	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+201.054443621987	58335579.0734427	543.122009116493	"C12H8O3"	"O3"	"CHO"	12	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.047167169827	201.05462057426	-0.884552755863889	0.88	201	200.829944434102	0.170055565898281	9	0.25	0.666666666666667	6	15.3882572401615	15	1	26	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+201.075265940876	104908534.957429	201.50386279658	"C9H12O5"	"O5"	"CHO"	9	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.067989488716	201.07574994646	-2.4192055173359	2.42	201	200.850743502603	0.149256497396578	4	0.555555555555556	1.33333333333333	-1	15.3898825764846	14	0.9	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.252841444825	46681761.2472686	726.748450668868	"C18H32O"	"O"	"CHO"	18	32	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.245564992665	265.25259209526	0.943628193082921	0.94	265	264.956657752409	0.0433422475911129	3	0.0555555555555556	1.77777777777778	2	20.3265627417769	19	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267.12236751965	350997402.83209	513.278411228934	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.11509106749	267.12270013786	-1.24990359849309	1.25	267	266.824096297717	0.175903702282767	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267.12236904666	373187454.807193	694.825338792587	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.1150925945	267.12270013786	-1.24416543500502	1.24	267	266.824097823022	0.175902176977843	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+201.112221332138	48980293.7171985	551.5227839	"C10H16O4"	"O4"	"CHO"	10	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.104944879978	201.11213545176	0.429176690563853	0.43	201	200.887657629145	0.112342370854577	3	0.4	1.6	-1	15.3926814615077	14	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+201.127530486583	68638204.4721134	468.350589929416	"C14H16O"	"O"	"CHO"	14	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.120254034423	201.12739158486	0.69409127864416	0.69	201	200.902949689252	0.0970503107482159	7	0.0714285714285714	1.14285714285714	6	15.3938550102077	15	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+201.148202647562	161432247.744808	484.865403804337	"C11H20O3"	"O3"	"CHO"	11	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.140926195402	201.14852095706	-1.59042682612788	1.59	201	200.923598767511	0.0764012324888483	2	0.272727272727273	1.81818181818182	-1	15.3954803465308	14	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+201.16351550802	195157038.083277	600.223098789059	"C15H20"	""	"CH"	15	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.15623905586	201.16377709016	-1.30688976394937	1.31	201	200.938894529492	0.0611054705076128	6	0	1.33333333333333	6	15.3966538952308	15	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+203.070218744671	108919164.550995	418.939038656056	"C12H10O3"	"O3"	"CHO"	12	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.062942292511	203.07027063806	-0.256817942096159	0.26	203	202.843468724276	0.156531275724376	8	0.25	0.833333333333333	5	15.5433072450692	15	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+203.091188340503	119142015.463902	261.359766095941	"C9H14O5"	"O5"	"CHO"	9	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.083911888343	203.09140001026	-1.04743497385231	1.05	203	202.86441490527	0.135585094730402	3	0.555555555555556	1.55555555555556	-2	15.5449325813923	14	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267.1962006	299911872.477299	629.962539895542	"C16H26O3"	"O3"	"CHO"	16	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.18892414784	267.19547114846	2.7403527112613	2.74	267	266.89784693539	0.102153064609922	4	0.1875	1.625	1	20.4760149766385	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+359.242629666219	108659137.204579	651.70093778167	"C19H34O6"	"O6"	"CHO"	19	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.235353214059	359.24281527056	-0.518107270435131	0.52	359	358.841496136609	0.158503863390877	3	0.315789473684211	1.78947368421053	-3	27.5565799091077	25	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.102340645907	94501986.4388212	509.750583	"C13H16O6"	"O6"	"CHO"	13	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.095064193747	269.10196469636	1.40229939771406	1.4	269	268.801858568293	0.198141431706858	6	0.461538461538462	1.23076923076923	0	20.6226683264769	19	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.123664111593	159642708.384546	126.124454687561	"C10H20O8"	"O8"	"CHO"	10	20	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.116387659433	269.12309406856	2.12610291346772	2.13	269	268.823158224007	0.176841775993182	1	0.8	2	-7	20.6242936628	18	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+361.135022329164	230003939.579729	223.462425992205	"C12H24O12"	"O12"	"CHO"	12	24	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.127745877004	361.13405268536	2.69249957858978	2.69	361	360.731775737001	0.268224262999183	1	1	2	-11	27.7020597102462	24	0.9	26	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+361.184760991827	54818277.8662213	551.007935	"C17H28O8"	"O8"	"CHO"	17	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.177484539667	361.18569432376	-2.5913111537762	2.59	361	360.781458861029	0.218541138971261	4	0.470588235294118	1.64705882352941	-4	27.7060321439692	25	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.174623642775	638861629.351148	659.407655877416	"C15H24O4"	"O4"	"CHO"	15	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.167347190615	269.17473570696	-0.417889001797121	0.42	269	268.874060853321	0.125939146678945	4	0.266666666666667	1.6	0	20.6282660965231	19	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.189441153459	38636418.9795312	548.244455204438	"C19H24O"	"O"	"CHO"	19	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.182164701299	269.18999184006	-2.05340501153639	2.05	269	268.88886181864	0.111138181359763	8	0.0526315789473684	1.26315789473684	7	20.6294396452231	20	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.189441662374	34787813.5711095	587.920377	"C19H24O"	"O"	"CHO"	19	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.182165210214	269.18999184006	-2.05150736080729	2.05	269	268.888862326987	0.111137673012934	8	0.0526315789473684	1.26315789473684	7	20.6294396452231	20	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+361.236350311805	48809173.1293542	672.148863647299	"C22H32O4"	"O4"	"CHO"	22	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.229073859645	361.23733596216	-2.73617657909937	2.74	361	360.832990575911	0.167009424088803	7	0.181818181818182	1.45454545454545	3	27.7100045776923	26	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.143291812027	225794026.105789	467.630911643978	"C10H20O4"	"O4"	"CHO"	10	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.136015359867	205.14343557936	-0.704272260634763	0.7	205	204.914226979725	0.0857730202753544	1	0.4	2	-3	15.7027814713231	14	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.210779255202	32682955.1988247	704.2091732	"C16H28O3"	"O3"	"CHO"	16	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.203502803042	269.21112121226	-1.27499102135361	1.27	269	268.910176094068	0.0898239059317234	3	0.1875	1.75	0	20.6310649815462	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.158670797058	42345267.7779147	615.6580458	"C14H20O"	"O"	"CHO"	14	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.151394344898	205.15869171246	-0.102450449018158	0.1	205	204.929588792444	0.0704112075564183	5	0.0714285714285714	1.42857142857143	4	15.7039550200231	15	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.15867079764	77269012.9304935	616.592161533885	"C14H20O"	"O"	"CHO"	14	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.15139434548	205.15869171246	-0.102447598095551	0.1	205	204.929588793025	0.0704112069750522	5	0.0714285714285714	1.42857142857143	4	15.7039550200231	15	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.158671202293	131532423.08988	678.739307433692	"C14H20O"	"O"	"CHO"	14	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.151394750133	205.15869171246	-0.100465475849853	0.1	205	204.929589197226	0.070410802773921	5	0.0714285714285714	1.42857142857143	4	15.7039550200231	15	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205.194954702299	28148458.8522335	793.881325263887	"C15H24"	""	"CH"	15	24	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.187678250139	205.19507721776	-0.600013977656846	0.6	205	204.965832182752	0.034167817248175	4	0	1.6	4	15.7067539050462	15	1	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+207.065405522783	107512109.898926	391.903681031908	"C11H10O4"	"O4"	"CHO"	11	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.058129070623	207.06518526036	1.06893343151703	1.07	207	206.83419444114	0.165805558860143	7	0.363636363636364	0.909090909090909	3	15.8506083698615	15	0.9	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+271.190086449064	91882157.7966795	522.454214855012	"C15H26O4"	"O4"	"CHO"	15	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.182809996904	271.19038577076	-1.10784877836682	1.11	271	270.887273175835	0.112726824164724	3	0.266666666666667	1.73333333333333	-1	20.7833161014308	19	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+271.19008799915	118392146.634107	676.348553095899	"C15H26O4"	"O4"	"CHO"	15	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.18281154699	271.19038577076	-1.10211159712884	1.1	271	270.88727472419	0.11272527580951	3	0.266666666666667	1.73333333333333	-1	20.7833161014308	19	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+207.122593741018	93127271.1876855	370.939351640217	"C9H18O5"	"O5"	"CHO"	9	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.115317288858	207.12270013786	-0.516200558984943	0.52	207	206.891318802499	0.108681197500516	1	0.555555555555556	2	-4	15.8550325912077	14	0.9	20	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+207.137794594515	130357528.58112	396.058868917141	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.130518142355	207.13795627096	-0.784340166902253	0.78	207	206.906502682588	0.093497317412357	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+273.096801618972	46673043.649049	171.979658158088	"C12H16O7"	"O7"	"CHO"	12	16	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.089525166812	273.09687931866	-0.285566627229289	0.29	273	272.791859290551	0.208140709449253	5	0.583333333333333	1.33333333333333	-2	20.9299694512692	19	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+273.133144150694	131532782.672512	543.853265769681	"C13H20O6"	"O6"	"CHO"	13	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.125867698534	273.13326482396	-0.44344650884242	0.44	273	272.828161241877	0.171838758122817	4	0.461538461538462	1.53846153846154	-2	20.9327683362923	19	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+207.137796217575	108024022.440763	625.003230953023	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.130519765415	207.13795627096	-0.776466217542672	0.78	207	206.906504303835	0.0934956961646662	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.184575869872	207014166.312957	789.025848034018	"C14H24O2"	"O2"	"CHO"	14	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.177299417712	225.18490646236	-1.47469208020199	1.47	225	224.93313276075	0.0668672392498593	3	0.142857142857143	1.71428571428571	1	17.2444330777077	16	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+367.175497511433	146241796.68688	481.609991711358	"C19H26O7"	"O7"	"CHO"	19	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.168221059273	367.17512963766	1.00465783706916	1	367	366.765506070718	0.234493929281825	7	0.368421052631579	1.36842105263158	0	28.1667579373462	26	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+273.22099917518	76770052.1551255	701.301977228423	"C19H28O"	"O"	"CHO"	19	28	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.21372272302	273.22129196766	-1.07559779514036	1.08	273	272.915918166658	0.0840818333420543	6	0.0526315789473684	1.47368421052632	5	20.9395396550385	20	1	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+275.091037046468	79823818.6958271	455.888866454442	"C15H14O5"	"O5"	"CHO"	15	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.083760594308	275.09140001026	-1.32428054547529	1.32	275	274.783867936953	0.216132063047269	9	0.333333333333333	0.933333333333333	4	21.0833941198538	20	0.9	32	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+367.197211867348	72580500.7774554	361.73699122551	"C16H30O9"	"O9"	"CHO"	16	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.189935415188	367.19625900986	2.60208540940941	2.6	367	366.787196180189	0.212803819810574	2	0.5625	1.875	-7	28.1683832736692	25	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.066167372707	68984374.3016104	263.756142790031	"C7H12O7"	"O7"	"CHO"	7	12	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.058890920547	209.06557919106	2.82699597407883	2.83	209	208.832722222508	0.167277777491734	2	1	1.71428571428571	-5	16.0044848260692	14	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+275.127778314385	57454732.6112836	596.885863938794	"C16H18O4"	"O4"	"CHO"	16	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.120501862225	275.12778551556	-0.0262701072405876	0.03	275	274.820568179242	0.179431820758225	8	0.25	1.125	4	21.0861930048769	20	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+275.164524267354	21435287.950198	570.428371401183	"C17H22O3"	"O3"	"CHO"	17	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.157247815194	275.16417102086	1.28848132528283	1.29	275	274.857273101351	0.142726898648561	7	0.176470588235294	1.29411764705882	4	21.0889918899	20	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+275.200046063441	224376384.963835	585.376096089965	"C18H26O2"	"O2"	"CHO"	18	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.192769611281	275.20055652616	-1.86169285098841	1.86	275	274.892755233484	0.10724476651643	6	0.111111111111111	1.44444444444444	4	21.0917907749231	20	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.080773	71608909.758512	490.456210881743	"C11H12O4"	"O4"	"CHO"	11	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.07349654784	209.08083532416	-0.299529546272921	0.3	209	208.847311541027	0.152688458972676	6	0.363636363636364	1.09090909090909	2	16.0056583747692	15	0.9	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+277.128852366504	121370800.336108	167.810945093411	"C12H20O7"	"O7"	"CHO"	12	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.121575914344	277.12817944626	2.43704332702007	2.44	277	276.819407814197	0.180592185802595	3	0.583333333333333	1.66666666666667	-4	21.2400694610846	19	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.116884180701	294712562.313469	573.7162805	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.109607728541	209.11722082946	-1.61765121119243	1.62	209	208.883382399661	0.116617600338628	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+277.16414514188	83158771.0636087	409.893876581655	"C13H24O6"	"O6"	"CHO"	13	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.15686868972	277.16456495156	-1.52018554527669	1.52	277	276.854661181345	0.145338818654864	2	0.461538461538462	1.84615384615385	-4	21.2428683461077	19	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+277.179008477005	185906935.763132	696.220139675808	"C17H24O3"	"O3"	"CHO"	17	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.171732024845	277.17982108466	-2.94239982127159	2.94	277	276.869507919937	0.130492080062652	6	0.176470588235294	1.41176470588235	3	21.2440418948077	20	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+277.1796277182	54552392.0581973	699.354094300161	"C17H24O3"	"O3"	"CHO"	17	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.17235126604	277.17982108466	-0.70016588955982	0.7	277	276.870126469682	0.129873530317923	6	0.176470588235294	1.41176470588235	3	21.2440418948077	20	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+371.169339464419	79919824.7237241	550.7375141	"C18H26O8"	"O8"	"CHO"	18	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.162063012259	371.17004425996	-1.90401883767753	1.9	371	370.7548884641	0.245111535899809	6	0.444444444444444	1.44444444444444	-2	28.4740590621385	26	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.15340895383	56888622.4572788	363.246933271392	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.14613250167	209.15360633476	-0.948280554848237	0.95	209	208.919866388902	0.0801336110976081	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.101165261479	782086104.435097	747.897892412424	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093888809319	279.10157076566	-1.458155670672	1.46	279	278.789518406974	0.210481593025918	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.153409810341	75479094.8025652	478.536377563921	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146133358181	209.15360633476	-0.944165600578897	0.94	209	208.919867244457	0.0801327555429907	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.101169027467	132299898.306937	1140.30652090727	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093892575307	279.10157076566	-1.44461350537669	1.44	279	278.789522168757	0.210477831243111	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209.153410592301	60692844.6513381	588.487235180459	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146134140141	209.15360633476	-0.94040881343261	0.94	209	208.919868025544	0.0801319744561511	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.101794721044	157371231.862599	1158.5921873183	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.094518268884	279.10157076566	0.805321102319574	0.81	279	278.790147163679	0.209852836321147	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.122437941579	50713117.48	487.5904432	"C15H18O5"	"O5"	"CHO"	15	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.115161489419	279.12270013786	-0.942761550888026	0.94	279	278.810767333809	0.189232666190605	7	0.333333333333333	1.2	2	21.3934941296692	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.122437941754	84274327.8321213	525.057931932435	"C15H18O5"	"O5"	"CHO"	15	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.115161489594	279.12270013786	-0.94276092157659	0.94	279	278.810767333984	0.189232666015755	7	0.333333333333333	1.2	2	21.3934941296692	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.144338186565	25372514.2421394	213.737970195823	"C12H22O7"	"O7"	"CHO"	12	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.137061734405	279.14382951006	1.82886991688993	1.83	279	278.832643124786	0.167356875213784	2	0.583333333333333	1.83333333333333	-5	21.3951194659923	19	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.158736905384	179370500.428899	635.138223557495	"C16H22O4"	"O4"	"CHO"	16	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.151460453224	279.15908564316	-1.2537693507905	1.25	279	278.847025765867	0.152974234132842	6	0.25	1.375	2	21.3962930146923	20	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+431.190612941439	200220556.786759	474.452095459263	"C20H30O10"	"O10"	"CHO"	20	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.183336489279	431.19117363216	-1.30337619681113	1.3	431	430.709141650951	0.290858349049415	6	0.5	1.5	-4	33.0910690138462	30	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.180017243901	97070848.9399767	519.852726355578	"C13H26O6"	"O6"	"CHO"	13	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.172740791741	279.18021501536	-0.710966352910406	0.71	279	278.868282342568	0.131717657431977	1	0.461538461538462	2	-5	21.3979183510154	19	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.19504137854	31707981.101934	568.272127724537	"C17H26O3"	"O3"	"CHO"	17	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.18776492638	279.19547114846	-1.54489152359917	1.54	279	278.883289701124	0.116710298875944	5	0.176470588235294	1.52941176470588	2	21.3990918997154	20	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+211.096894516666	22919658.559573	555.109119482139	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.089618064506	211.09648538796	1.94740087475807	1.95	211	210.861181838397	0.138818161603353	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.23135454172	56585578.9159772	666.822617275405	"C18H30O2"	"O2"	"CHO"	18	30	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.22407808956	279.23185665376	-1.80470376036861	1.8	279	278.919562316702	0.080437683298328	4	0.111111111111111	1.66666666666667	2	21.4018907847385	20	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.231355640483	46622599.9034532	787.286394657129	"C18H30O2"	"O2"	"CHO"	18	30	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.224079188323	279.23185665376	-1.80075455158831	1.8	279	278.919563414238	0.080436585762186	4	0.111111111111111	1.66666666666667	2	21.4018907847385	20	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+281.101559708571	33541105.6645623	670.923534395635	"C14H16O6"	"O6"	"CHO"	14	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.094283256411	281.10196469636	-1.44589808919275	1.45	281	280.787679195756	0.212320804244257	7	0.428571428571429	1.14285714285714	1	21.5457452495538	20	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+281.11673709507	32800747.6875107	466.545843538347	"C18H16O3"	"O3"	"CHO"	18	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.10946064291	281.11722082946	-1.72694770427205	1.73	281	280.802839635049	0.197160364950605	11	0.166666666666667	0.888888888888889	8	21.5469187982538	21	1	38	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+211.132706736966	28948803.1362386	717.947460753527	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.125430284806	211.13287089326	-0.781230019529885	0.78	211	210.896954070451	0.1030459295485	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+211.16893742342	48215104.0889034	538.612081293879	"C13H22O2"	"O2"	"CHO"	13	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.16166097126	211.16925639856	-1.51776084434335	1.52	211	210.933144301397	0.0668556986026374	3	0.153846153846154	1.69230769230769	1	16.1663061497231	15	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+211.168938636002	26069409.48	741.301454011488	"C13H22O2"	"O2"	"CHO"	13	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.161662183842	211.16925639856	-1.5119910772985	1.51	211	210.933145512625	0.0668544873746271	3	0.153846153846154	1.69230769230769	1	16.1663061497231	15	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+211.169071837655	75613886.4622931	333.963446614896	"C13H22O2"	"O2"	"CHO"	13	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.161795385495	211.16925639856	-0.878184851217324	0.88	211	210.933278565544	0.0667214344557863	3	0.153846153846154	1.69230769230769	1	16.1663061497231	15	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.061044351226	45223769.1211995	147.620537644167	"C6H12O8"	"O8"	"CHO"	6	12	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.053767899066	213.06049381336	2.59621826800518	2.6	213	212.823138485704	0.176861514295524	1	1.33333333333333	2	-7	16.3117859508615	14	0.9	14	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.075522909745	84529873.3672694	430.96783927501	"C10H12O5"	"O5"	"CHO"	10	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.068246457585	213.07574994646	-1.07058326180321	1.07	213	212.837600877336	0.16239912266434	5	0.5	1.2	0	16.3129594995615	15	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.075656020311	47325184.2603555	261.843191017496	"C10H12O5"	"O5"	"CHO"	10	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.068379568151	213.07574994646	-0.442905015879928	0.44	213	212.837733839269	0.16226616073078	5	0.5	1.2	0	16.3129594995615	15	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.075938554017	28190415.0368229	199.878595060551	"C10H12O5"	"O5"	"CHO"	10	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.068662101857	213.07574994646	0.889370240390369	0.89	213	212.838016057496	0.161983942504435	5	0.5	1.2	0	16.3129594995615	15	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+283.153584998038	135690756.934595	552.734217284643	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146308545878	283.15400026546	-1.47181589629752	1.47	283	282.837413175453	0.162586824547418	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+283.153584998678	60432607.8905488	527.372104784844	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146308546518	283.15400026546	-1.47181362796731	1.47	283	282.837413176092	0.162586823908157	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+283.153586093249	47908723.1869528	685.665570716483	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146309641089	283.15400026546	-1.46793417771235	1.47	283	282.837414269441	0.162585730559385	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.111868075664	51511419.6323384	286.052642021611	"C11H16O4"	"O4"	"CHO"	11	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.104591623504	213.11213545176	-1.26058608134904	1.26	213	212.873905459918	0.126094540082278	4	0.363636363636364	1.45454545454545	0	16.3157583845846	15	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.148164019479	357479400.125612	503.01975245643	"C12H20O3"	"O3"	"CHO"	12	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.140887567319	213.14852095706	-1.68254967305171	1.68	213	212.910160875358	0.0898391246423955	3	0.25	1.66666666666667	0	16.3185572696077	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+383.206291770274	172191863.399496	603.837019205756	"C20H30O7"	"O7"	"CHO"	20	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	382.199015318114	383.20642976526	-0.361055315357994	0.36	383	382.778400201477	0.221599798522675	6	0.35	1.5	-1	29.3999348702385	27	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.148582398839	196053102.490308	604.581597294876	"C12H20O3"	"O3"	"CHO"	12	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.141305946679	213.14852095706	0.289626665217117	0.29	213	212.910578787551	0.0894212124485136	3	0.25	1.66666666666667	0	16.3185572696077	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.148582398839	214958513.58256	633.88662865548	"C12H20O3"	"O3"	"CHO"	12	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.141305946679	213.14852095706	0.289626665217117	0.29	213	212.910578787551	0.0894212124485136	3	0.25	1.66666666666667	0	16.3185572696077	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213.184915977759	61287668.3784668	484.027891180788	"C13H24O2"	"O2"	"CHO"	13	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.177639525599	213.18490646236	0.0448463797672927	0.04	213	212.946871796073	0.0531282039273435	2	0.153846153846154	1.84615384615385	0	16.3213561546308	15	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.082127290856	56030460.3468457	184.687760319344	"C9H16O10"	"O10"	"CHO"	9	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.074850838696	285.08162318556	1.77455094865577	1.77	285	284.763802040718	0.236197959282379	2	1.11111111111111	1.77777777777778	-8	21.8518728256462	19	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+235.169152124204	30892613.2503955	767.981520705281	"C15H22O2"	"O2"	"CHO"	15	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.161875672044	235.16925639856	-0.445308851860024	0.45	235	234.906560148038	0.0934398519615058	5	0.133333333333333	1.46666666666667	3	18.0124599958769	17	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+215.091438076439	22510415.3759985	734.035731291729	"C10H14O5"	"O5"	"CHO"	10	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.084161624279	215.09140001026	0.17780941262271	0.18	215	214.851265055145	0.148734944854795	4	0.5	1.4	-1	16.4680095044692	15	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+215.106677055812	32389295.609082	590.137797792121	"C14H14O2"	"O2"	"CHO"	14	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.099400603652	215.10665614336	0.097676368810219	0.1	215	214.866487018538	0.133512981462303	8	0.142857142857143	1	6	16.4691830531692	16	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.133164180486	68244536.7337096	486.650771716186	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125887728326	285.13326482396	-0.354221415084951	0.35	285	284.814781942101	0.185218057899306	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.133164708043	260884371.899441	546.080449677056	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125888255883	285.13326482396	-0.352364642383981	0.35	285	284.814782469069	0.185217530931368	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+215.163840765323	66621459.6006538	640.035691588118	"C12H22O3"	"O3"	"CHO"	12	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.156564313163	215.16417102086	-1.54212194280283	1.54	215	214.92358689854	0.0764131014600196	2	0.25	1.83333333333333	-1	16.4736072745154	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+215.163841189884	36571150.6044829	676.459016365203	"C12H22O3"	"O3"	"CHO"	12	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.156564737724	215.16417102086	-1.54013946013634	1.54	215	214.923587322627	0.0764126773730709	2	0.25	1.83333333333333	-1	16.4736072745154	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+215.163841594246	35509323.0879319	753.596965413835	"C12H22O3"	"O3"	"CHO"	12	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.156565142086	215.16417102086	-1.5382512965836	1.54	215	214.923587726537	0.0764122734626085	2	0.25	1.83333333333333	-1	16.4736072745154	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.0858459	52073438.6399118	448.1704415	"C13H12O3"	"O3"	"CHO"	13	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.07856944784	217.08592070186	-0.346178985663055	0.35	217	216.843445905113	0.156554094886786	8	0.230769230769231	0.923076923076923	5	16.6214341730538	16	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.106448388644	87444033.9537855	292.916984472326	"C10H16O5"	"O5"	"CHO"	10	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.099171936484	217.10705007406	-2.78430227478043	2.78	217	216.864025388834	0.135974611165665	3	0.5	1.6	-2	16.6230595093769	15	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.1064493	24504500.2285019	427.701118857417	"C10H16O5"	"O5"	"CHO"	10	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.09917284784	217.10705007406	-2.78008495855204	2.78	217	216.864026299173	0.135973700827293	3	0.5	1.6	-2	16.6230595093769	15	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.106877656987	142391097.311808	327.759892835432	"C10H16O5"	"O5"	"CHO"	10	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.099601204827	217.10705007406	-0.797859283596913	0.8	217	216.864454177852	0.135545822147549	3	0.5	1.6	-2	16.6230595093769	15	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+287.148592181138	128893338.456685	366.624044187109	"C14H22O6"	"O6"	"CHO"	14	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.141315728978	287.14891488776	-1.1277875799882	1.13	287	286.827959497842	0.172040502157813	4	0.428571428571429	1.57142857142857	-2	22.0108952642769	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+287.14859388746	137035819.425768	528.523738354436	"C14H22O6"	"O6"	"CHO"	14	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.1413174353	287.14891488776	-1.12182435896385	1.12	287	286.827961202259	0.172038797741152	4	0.428571428571429	1.57142857142857	-2	22.0108952642769	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.122333915963	205214747.832142	548.136571790681	"C14H16O2"	"O2"	"CHO"	14	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.115057463803	217.12230620716	0.128213199618541	0.13	217	216.879893178232	0.120106821768388	7	0.142857142857143	1.14285714285714	5	16.6242330580769	16	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.1223343268	158982764.137869	588.099590807542	"C14H16O2"	"O2"	"CHO"	14	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.11505787464	217.12230620716	0.130114209917842	0.13	217	216.87989358861	0.12010641139014	7	0.142857142857143	1.14285714285714	5	16.6242330580769	16	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+391.122395343951	52974993.3508724	212.123790919085	"C16H22O11"	"O11"	"CHO"	16	22	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.115118891791	391.12348799926	-2.80085353288592	2.8	391	390.685664583185	0.314335416815254	6	0.6875	1.375	-5	30.0089393497769	27	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+239.091466660302	53090542.3380805	546.805111980327	"C12H14O5"	"O5"	"CHO"	12	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.084190208142	239.09140001026	0.279943166142019	0.28	239	238.824494992685	0.175505007314854	6	0.416666666666667	1.16666666666667	1	18.3141633506231	17	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+289.164351641406	187616034.407975	545.963849771414	"C14H24O6"	"O6"	"CHO"	14	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.157075189246	289.16456495156	-0.740256521197462	0.74	289	288.841468143089	0.158531856911111	3	0.428571428571429	1.71428571428571	-3	22.1659452691846	20	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+391.248836372012	20959968.0858809	666.876085752277	"C23H34O5"	"O5"	"CHO"	23	34	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.241559919852	391.24790064826	2.39780650791881	2.4	391	390.811964426064	0.188035573935679	7	0.217391304347826	1.47826086956522	2	30.0185095535462	28	0.9	48	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+289.179529598855	65821191.7988941	656.229895528889	"C18H24O3"	"O3"	"CHO"	18	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.172253146695	289.17982108466	-1.0114985109353	1.01	289	288.856629152695	0.143370847304936	7	0.166666666666667	1.33333333333333	4	22.1671188178846	21	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.158830285904	42577513.38	550.3790901	"C15H20O"	"O"	"CHO"	15	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.151553833744	217.15869171246	0.641093906256598	0.64	217	216.916348796	0.0836512040001196	6	0.0666666666666667	1.33333333333333	5	16.6270319431	16	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+217.158830696782	118047604.89118	613.265140947554	"C15H20O"	"O"	"CHO"	15	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.151554244622	217.15869171246	0.642994784210762	0.64	217	216.916349206419	0.0836507935809152	6	0.0666666666666667	1.33333333333333	5	16.6270319431	16	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+291.143402095723	40118385.6532521	275.53994920822	"C13H22O7"	"O7"	"CHO"	13	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.136125643563	291.14382951006	-1.47315104617616	1.47	291	290.818308771989	0.181691228011402	3	0.538461538461538	1.69230769230769	-4	22.3181963890692	20	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+291.179404224032	87007847.15	399.958236683969	"C14H26O6"	"O6"	"CHO"	14	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.172127771872	291.18021501536	-2.79417370029456	2.79	291	290.854270699999	0.145729300000539	2	0.428571428571429	1.85714285714286	-4	22.3209952740923	20	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+291.179405415394	47956517.2200772	502.797118651757	"C14H26O6"	"O6"	"CHO"	14	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.172128963234	291.18021501536	-2.79006798092049	2.79	291	290.854271890031	0.145728109968786	2	0.428571428571429	1.85714285714286	-4	22.3209952740923	20	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+291.231420762583	40395156.2043273	686.974925372166	"C19H30O2"	"O2"	"CHO"	19	30	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.224144310423	291.23185665376	-1.50191217908893	1.5	291	290.906229156419	0.093770843581126	5	0.105263157894737	1.57894736842105	3	22.3249677078154	21	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+293.101764263631	113570826.893987	385.68658416586	"C15H16O6"	"O6"	"CHO"	15	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.094487811471	293.10196469636	-0.686191411715069	0.69	293	292.774484215205	0.225515784795277	8	0.4	1.06666666666667	2	22.4688221726308	21	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+397.163719653328	53598390.3584446	126.124458147576	"C23H24O6"	"O6"	"CHO"	23	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.156443201168	397.16456495156	-2.13374853935455	2.13	397	396.720243095867	0.279756904132796	12	0.260869565217391	1.04347826086957	6	30.4736375768769	29	1	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+293.138129661566	329460600.930341	591.901953921204	"C16H20O5"	"O5"	"CHO"	16	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.130853209406	293.13835020166	-0.754935987016544	0.75	293	292.810809007212	0.189190992788497	7	0.3125	1.25	2	22.4716210576538	21	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+219.159053759892	71907333.5495405	504.567544473101	"C11H22O4"	"O4"	"CHO"	11	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.151777307732	219.15908564316	-0.146151768284628	0.15	219	218.914338802588	0.0856611974123211	1	0.363636363636364	2	-3	16.7809083993077	15	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+219.174292944745	265381171.210717	573.857224658959	"C15H22O"	"O"	"CHO"	15	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.167016492585	219.17434177626	-0.223826295108661	0.22	219	218.929560971231	0.0704390287693002	5	0.0666666666666667	1.46666666666667	4	16.7820819480077	16	1	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+293.174502911953	51354521.4691097	618.809697821218	"C17H24O4"	"O4"	"CHO"	17	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.167226459793	293.17473570696	-0.796786860047939	0.8	293	292.847141642902	0.152858357097784	6	0.235294117647059	1.41176470588235	2	22.4744199426769	21	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+293.196731617147	135775690.484821	535.024195969788	"C14H28O6"	"O6"	"CHO"	14	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.189455164987	293.19586507916	2.96567166162376	2.97	293	292.869345527325	0.130654472674621	1	0.428571428571429	2	-5	22.476045279	20	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.080695673592	44732960.7208493	352.395085162552	"C12H12O4"	"O4"	"CHO"	12	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.073419221432	221.08083532416	-0.634563540186163	0.63	221	220.83383499376	0.166165006240306	7	0.333333333333333	1	3	16.9287352978462	16	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.080695673679	100175439.164878	395.933412383146	"C12H12O4"	"O4"	"CHO"	12	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.073419221519	221.08083532416	-0.634563144868509	0.63	221	220.833834993847	0.16616500615342	7	0.333333333333333	1	3	16.9287352978462	16	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.080696987634	44752165.3660939	547.265458410031	"C12H12O4"	"O4"	"CHO"	12	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.073420535474	221.08083532416	-0.6285926108478	0.63	221	220.833836306334	0.166163693665567	7	0.333333333333333	1	3	16.9287352978462	16	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+399.272966232984	190287258.055721	608.910988866428	"C22H38O6"	"O6"	"CHO"	22	38	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.265689780824	399.27411539816	-2.88542348861363	2.89	399	398.827134471949	0.17286552805075	4	0.272727272727273	1.72727272727273	-2	30.6359106881538	28	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+295.17519379109	69415764.5874256	458.328139576218	"C13H26O7"	"O7"	"CHO"	13	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.16791733893	295.17512963766	0.218084387255166	0.22	295	294.84559853273	0.154401467269793	1	0.538461538461538	2	-6	22.6282963988846	20	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.153498294039	2026903464.8078	587.06285122673	"C14H20O2"	"O2"	"CHO"	14	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.146221841879	221.15360633476	-0.490768000072145	0.49	221	220.90655632215	0.0934436778497059	5	0.142857142857143	1.42857142857143	3	16.9343330678923	16	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+401.201634946775	27226575.4338705	365.030308554548	"C16H32O11"	"O11"	"CHO"	16	32	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.194358494615	401.20173831826	-0.258303203830612	0.26	401	400.753649617025	0.246350382975436	1	0.6875	2	-10	30.7841893743154	27	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.189692358763	39258396.9957812	731.650003364509	"C15H24O"	"O"	"CHO"	15	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.182415906603	221.18999184006	-1.36015083565382	1.36	221	220.942709972258	0.0572900277417148	4	0.0666666666666667	1.6	3	16.9371319529154	16	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221.190133378424	59458063.0560399	655.832302400226	"C15H24O"	"O"	"CHO"	15	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.182856926264	221.18999184006	0.642821907122858	0.64	221	220.943150499473	0.0568495005271927	4	0.0666666666666667	1.6	3	16.9371319529154	16	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.133889917009	109545530.799075	524.623069182119	"C15H20O6"	"O6"	"CHO"	15	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.126613464849	297.13326482396	2.11089790843705	2.11	297	296.802107561057	0.1978924389432	6	0.4	1.33333333333333	0	22.7789221824462	21	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.1538196691	175565537.606648	231.331950200993	"C12H24O8"	"O8"	"CHO"	12	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.14654321694	297.15439419616	-1.94000934049424	1.94	297	296.822015059409	0.177984940591386	1	0.666666666666667	2	-7	22.7805475187692	20	0.9	26	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+405.117557643625	150254622.324098	526.160117609672	"C20H20O9"	"O9"	"CHO"	20	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.110281191465	405.11800869086	-1.11614887320756	1.12	405	404.665199759608	0.334800240392042	11	0.45	1	2	31.0854409414385	29	0.9	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+405.174458892601	57119850.849138	366.377942312432	"C18H28O10"	"O10"	"CHO"	18	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.167182440441	405.17552356836	-2.63424593876459	2.63	405	404.722037472141	0.277962527858904	5	0.555555555555556	1.55555555555556	-5	31.0898651627846	28	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+245.174168867018	102383943.694118	701.455714741543	"C13H24O4"	"O4"	"CHO"	13	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.166892414858	245.17473570696	-2.32152662627543	2.32	245	244.900405199777	0.0995948002231728	2	0.307692307692308	1.84615384615385	-2	18.7821122503692	17	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.075110179914	61093453.7891786	746.835525336106	"C15H10O2"	"O2"	"CHO"	15	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.067833727754	223.07535601576	-1.10703041448764	1.11	223	222.826022519027	0.173977480973349	11	0.133333333333333	0.666666666666667	9	17.0821599664308	17	1	32	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.206071467924	243240488.427689	695.35502263217	"C17H28O4"	"O4"	"CHO"	17	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.198795015764	297.20603583456	0.120302190983355	0.12	297	296.874208513407	0.125791486592789	4	0.235294117647059	1.64705882352941	0	22.7845199524923	21	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.241827977623	34614863.0460611	757.048835394514	"C18H32O3"	"O3"	"CHO"	18	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.234551525463	297.24242133986	-2.00301495516188	2	297	296.909925097068	0.0900749029319172	3	0.166666666666667	1.77777777777778	0	22.7873188375154	21	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.096123660197	150280660.630162	547.237941002201	"C12H14O4"	"O4"	"CHO"	12	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.088847208037	223.09648538796	-1.628752490457	1.63	223	222.84701253547	0.152987464530156	6	0.333333333333333	1.16666666666667	2	17.0837853027538	16	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.2418286	21861413.7357998	797.422173186955	"C18H32O3"	"O3"	"CHO"	18	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.23455214784	297.24242133986	-2.00091399076185	2	297	296.90992571875	0.0900742812498834	3	0.166666666666667	1.77777777777778	0	22.7873188375154	21	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.096571677272	77468590.4066219	658.870826997128	"C12H14O4"	"O4"	"CHO"	12	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.089295225112	223.09648538796	0.388534314187179	0.39	223	222.847460052285	0.152539947715013	6	0.333333333333333	1.16666666666667	2	17.0837853027538	16	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.118033157962	47983924.9318281	177.750916792972	"C9H18O6"	"O6"	"CHO"	9	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.110756705802	223.11761476016	1.88373498075206	1.88	223	222.868897568894	0.131102431106086	1	0.666666666666667	2	-5	17.0854106390769	15	0.9	20	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.127418810834	204627918.315317	467.546817616053	"C18H18O4"	"O4"	"CHO"	18	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.120142358674	299.12778551556	-1.23005685925708	1.23	299	298.79341046271	0.206589537290427	10	0.222222222222222	1	6	22.9323468510308	22	1	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223.169028076179	250715380.226814	624.367405208968	"C14H22O2"	"O2"	"CHO"	14	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.161751624019	223.16925639856	-1.02773037820641	1.03	223	222.91983554573	0.0801644542703457	4	0.142857142857143	1.57142857142857	2	17.0893830728	16	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.148248520666	128334563.705256	687.291186725687	"C15H22O6"	"O6"	"CHO"	15	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.140972068506	299.14891488776	-2.23507386236418	2.24	299	298.814216913902	0.185783086098468	5	0.4	1.46666666666667	-1	22.9339721873538	21	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.148941666891	111803313.996823	547.151204092306	"C15H22O6"	"O6"	"CHO"	15	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.141665214731	299.14891488776	0.0898201564684079	0.09	299	298.814909286153	0.185090713846762	5	0.4	1.46666666666667	-1	22.9339721873538	21	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.075783832446	136702251.963472	278.536545405529	"C11H12O5"	"O5"	"CHO"	11	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.068507380286	225.07574994646	0.151230471410664	0.15	225	224.824462201485	0.175537798514938	6	0.454545454545455	1.09090909090909	1	17.2360364226385	16	0.9	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.075784757188	35191772.4492265	390.970320378057	"C11H12O5"	"O5"	"CHO"	11	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.068508305028	225.07574994646	0.155357520988895	0.16	225	224.824463125194	0.175536874805545	6	0.454545454545455	1.09090909090909	1	17.2360364226385	16	0.9	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.11203774345	19919208.8989654	284.570396094566	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.10476129129	225.11213545176	-0.435993904953246	0.44	225	224.860675631048	0.139324368951861	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.221858210177	44884671.6337741	662.990905569697	"C17H30O4"	"O4"	"CHO"	17	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.214581758017	299.22168589836	0.577811507482681	0.58	299	298.887744410176	0.112255589824372	3	0.235294117647059	1.76470588235294	-1	22.9395699574	21	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+413.289060226891	40086407.7	679.963315890054	"C23H40O6"	"O6"	"CHO"	23	40	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.281783774731	413.28976546196	-1.71056567803959	1.71	413	412.827577970089	0.172422029911274	4	0.260869565217391	1.73913043478261	-2	31.7140376161385	29	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.112040005725	190553481.840196	548.871701225932	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.104763553565	225.11213545176	-0.42589917987901	0.43	225	224.860677890797	0.139322109202936	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.112040431446	24538394.431924	609.516413106735	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.104763979286	225.11213545176	-0.423999527360409	0.42	225	224.860678316043	0.13932168395732	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.147849340353	95437036.03	550.744245330032	"C13H20O3"	"O3"	"CHO"	13	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.140572888193	225.14852095706	-2.99640845193511	3	225	224.896447240402	0.103552759597903	4	0.230769230769231	1.53846153846154	1	17.2416341926846	16	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.148302261493	132426386.66398	518.871564259272	"C13H20O3"	"O3"	"CHO"	13	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.141025809333	225.14852095706	-0.975705211593314	0.98	225	224.896899655806	0.103100344193678	4	0.230769230769231	1.53846153846154	1	17.2416341926846	16	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225.1483031034	177526780.038047	595.851528804706	"C13H20O3"	"O3"	"CHO"	13	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.14102665124	225.14852095706	-0.97194905936315	0.97	225	224.896900496773	0.103099503226758	4	0.230769230769231	1.53846153846154	1	17.2416341926846	16	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+365.217691637346	26635985.2740878	492.546088668655	"C17H32O8"	"O8"	"CHO"	17	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	364.210415185186	365.21699445136	1.91423956294624	1.91	365	364.80988630016	0.190113699839571	2	0.470588235294118	1.88235294117647	-6	28.0161321537846	25	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+301.179652550134	24591117.1472198	710.605843498068	"C19H24O3"	"O3"	"CHO"	19	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.172376097974	301.17982108466	-0.561459146153972	0.56	301	300.843352659482	0.156647340517509	8	0.157894736842105	1.26315789473684	5	23.0901957409615	22	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.07032394161	75174425.0057615	199.366804231696	"C12H14O9"	"O9"	"CHO"	12	14	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.06304748945	303.07105849946	-2.43180308240892	2.43	303	302.731912910392	0.268087089607718	6	0.75	1.16666666666667	-3	23.2356755421	21	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.071031944005	147118836.313885	185.760328478916	"C12H14O9"	"O9"	"CHO"	12	14	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.063755491845	303.07105849946	-0.0879134107468561	0.09	303	302.732620122225	0.267379877774545	6	0.75	1.16666666666667	-3	23.2356755421	21	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.100771505425	308005120.473694	319.592363389427	"C20H14O3"	"O3"	"CHO"	20	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.093495053265	303.10157076566	-2.64573798538009	2.65	303	302.762326476186	0.237673523814465	14	0.15	0.7	11	23.2380226395	23	1	42	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+227.127382687583	211827330.899976	561.322818419133	"C12H18O4"	"O4"	"CHO"	12	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.120106235423	227.12778551556	-1.78147792202387	1.78	227	226.873770223012	0.126229776987714	4	0.333333333333333	1.5	0	17.3938853125692	16	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.179388727235	26171063.7244504	503.308229307823	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172112275075	303.18021501536	-2.73449498288323	2.73	303	302.840855913303	0.159144086696699	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+227.163675302016	230523241.505007	682.038354919865	"C13H22O3"	"O3"	"CHO"	13	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.156398849856	227.16417102086	-2.19192933088949	2.19	227	226.910022312788	0.0899776872122402	3	0.230769230769231	1.69230769230769	0	17.3966841975923	16	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+227.199975310126	25827799.8242038	735.503853389718	"C14H26O2"	"O2"	"CHO"	14	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.192698857966	227.20055652616	-2.56956142672768	2.57	227	226.946281787984	0.0537182120155819	2	0.142857142857143	1.85714285714286	0	17.3994830826154	16	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.04940577565	72806572.804755	359.641299917526	"C13H8O4"	"O4"	"CHO"	13	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.04212932349	229.04953519656	-0.567530703198212	0.57	229	228.793647162929	0.206352837071421	10	0.307692307692308	0.615384615384615	6	17.5417122111077	17	1	28	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.049871885151	29654711.3793008	503.305215695807	"C13H8O4"	"O4"	"CHO"	13	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.042595432991	229.04953519656	1.47642851695201	1.48	229	228.794112751968	0.205887248032468	10	0.307692307692308	0.615384615384615	6	17.5417122111077	17	1	28	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.055916934092	37289210.5246115	185.05415311905	"C6H12O9"	"O9"	"CHO"	6	12	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.048640481932	229.05540843566	2.22978058957804	2.23	229	228.800151050953	0.199848949047094	1	1.5	2	-8	17.5421639987308	15	0.9	14	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229.085694816875	146655425.446417	527.82043073172	"C14H12O3"	"O3"	"CHO"	14	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.078418364715	229.08592070186	-0.990382985962434	0.99	229	228.829895683486	0.170104316514056	9	0.214285714285714	0.857142857142857	6	17.5445110961308	17	1	30	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.194974912944	41307727.9201299	600.053642705637	"C19H26O3"	"O3"	"CHO"	19	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.187698460784	303.19547114846	-1.64214333842672	1.64	303	302.856424695338	0.143575304661852	7	0.157894736842105	1.36842105263158	4	23.2452457458692	22	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.194976080426	27645670.1253526	732.293432901961	"C19H26O3"	"O3"	"CHO"	19	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.187699628266	303.19547114846	-1.63827989895686	1.64	303	302.856425861516	0.14357413848353	7	0.157894736842105	1.36842105263158	4	23.2452457458692	22	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.216229192037	97710565.3317903	591.714729945755	"C16H30O5"	"O5"	"CHO"	16	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.208952739877	303.21660052066	-1.2287148332598	1.23	303	302.877655241713	0.122344758286772	2	0.3125	1.875	-3	23.2468710821923	21	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.216229790551	92149365.533502	648.835442694113	"C16H30O5"	"O5"	"CHO"	16	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.208953338391	303.21660052066	-1.22673436678945	1.23	303	302.877655839559	0.122344160441116	2	0.3125	1.875	-3	23.2468710821923	21	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305.08609389334	476098344.933165	233.277852042091	"C12H16O9"	"O9"	"CHO"	12	16	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.07881744118	305.08670856326	-2.02141643800851	2.02	305	304.745432035386	0.254567964613898	5	0.75	1.33333333333333	-4	23.3907255470077	21	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+427.137910260031	262949275.010957	339.935481969123	"C23H22O8"	"O8"	"CHO"	23	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.130633807871	427.13874413236	-1.95684671046824	1.96	427	426.660964253562	0.339035746438185	13	0.347826086956522	0.956521739130435	5	32.7793436677077	31	0.9	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+427.15923980238	107652276.59232	688.693640453773	"C20H26O10"	"O10"	"CHO"	20	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.15196335022	427.15987350456	-1.48703334604017	1.49	427	426.682269979153	0.317730020846739	8	0.5	1.3	-2	32.7809690040308	30	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305.123996515184	35273875.6106678	269.976599279106	"C13H20O8"	"O8"	"CHO"	13	20	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.116720063024	305.12309406856	2.96743508144166	2.97	305	304.783292334824	0.216707665176045	4	0.615384615384615	1.53846153846154	-4	23.3935244320308	21	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305.137589033059	170587929.528847	315.423591086895	"C17H20O5"	"O5"	"CHO"	17	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.130312580899	305.13835020166	-2.50277124480912	2.5	305	304.796869675172	0.203130324827896	8	0.294117647058824	1.17647058823529	3	23.3946979807308	22	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305.159049092748	51888815.572232	673.945328737752	"C14H24O7"	"O7"	"CHO"	14	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.151772640588	305.15947957386	-1.41534967318355	1.42	305	304.818305772367	0.181694227633272	3	0.5	1.71428571428571	-4	23.3963233170538	21	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+231.065176778024	24782884.66864	368.281647499798	"C13H10O4"	"O4"	"CHO"	13	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.057900325864	231.06518526036	-0.0368704399535971	0.04	231	230.807167337393	0.192832662606719	9	0.307692307692308	0.769230769230769	5	17.6967622160154	17	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305.174787042093	36571410.8450974	646.174391685047	"C18H24O4"	"O4"	"CHO"	18	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.167510589933	305.17473570696	0.168772571667804	0.17	305	304.834026148577	0.165973851423132	7	0.222222222222222	1.33333333333333	3	23.3974968657538	22	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305.195533200865	89769290.3862443	605.508612508463	"C15H28O6"	"O6"	"CHO"	15	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.188256748705	305.19586507916	-1.09102928088623	1.09	305	304.854749142003	0.145250857997326	2	0.4	1.86666666666667	-4	23.3991222020769	21	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.122431011693	51411804.2768797	361.457845628046	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.115154559533	255.12270013786	-1.05907169299638	1.06	255	254.837559026067	0.162440973932576	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+231.123162543791	50810961.2232014	639.700048861037	"C11H18O5"	"O5"	"CHO"	11	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.115886091631	231.12270013786	2.00944810416836	2.01	231	230.865088355736	0.134911644263809	3	0.454545454545455	1.63636363636364	-2	17.7011864373615	16	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+231.137308283031	64658787.7559987	610.517428778282	"C15H18O2"	"O2"	"CHO"	15	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.130031830871	231.13795627096	-2.81574692292229	2.82	231	230.879218299717	0.120781700282635	7	0.133333333333333	1.2	5	17.7023599860615	17	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.122433514189	39959220.9222215	658.987958219062	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.115157062029	255.12270013786	-1.04922380093254	1.05	255	254.837561525769	0.162438474230896	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.12243451862	25864178.0000096	811.475105497223	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.11515806646	255.12270013786	-1.04527113608431	1.05	255	254.837562529079	0.162437470921446	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+339.158545393482	27475368.3814662	814.320100767564	"C21H22O4"	"O4"	"CHO"	21	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.151268941322	339.15908564316	-1.59765681111326	1.6	339	338.779837931794	0.220162068206093	11	0.19047619047619	1.04761904761905	7	26.0116776300769	25	1	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+433.242862242283	86220411.7699231	576.131611993649	"C21H36O9"	"O9"	"CHO"	21	36	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	432.235585790123	433.24320920126	-0.802708033165714	0.8	433	432.759099391891	0.240900608108632	4	0.428571428571429	1.71428571428571	-5	33.2489179037769	30	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+233.066196522789	19832974.7602348	146.101563821197	"C9H12O7"	"O7"	"CHO"	9	12	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.058920070629	233.06557919106	2.66023701567415	2.66	233	232.805952725635	0.194047274365033	4	0.777777777777778	1.33333333333333	-3	17.8506386722231	16	0.9	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+233.080933145151	73117510.0259956	419.489182833454	"C13H12O4"	"O4"	"CHO"	13	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.073656692991	233.08083532416	0.421508379629819	0.42	233	232.820672892953	0.179327107047214	8	0.307692307692308	0.923076923076923	4	17.8518122209231	17	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+233.101943416982	20834468.2964544	237.588441388601	"C10H16O6"	"O6"	"CHO"	10	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.094666964822	233.10196469636	-0.0916840453049349	0.09	233	232.841659704527	0.158340295473408	3	0.6	1.6	-3	17.8534375572462	16	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+437.236933767701	58712688.8564936	555.738575794214	"C20H36O10"	"O10"	"CHO"	20	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	436.229657315541	437.23812382356	-2.72804895081931	2.73	437	436.748711101363	0.25128889863737	3	0.5	1.8	-7	33.5562190285692	30	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.15509472766	51255377.5189322	392.632266533596	"C13H24O8"	"O8"	"CHO"	13	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.1478182755	309.15439419616	2.27336186873528	2.27	309	308.809889387024	0.190110612976184	2	0.615384615384615	1.84615384615385	-6	23.7036244418462	21	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.16895621051	105120643.618852	560.546352510485	"C17H24O5"	"O5"	"CHO"	17	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.16167975835	309.16965032926	-2.2524499170338	2.25	309	308.823735392018	0.176264607981807	6	0.294117647058824	1.41176470588235	1	23.7047979905462	22	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+233.153532445899	140331368.943965	645.719225506473	"C15H20O2"	"O2"	"CHO"	15	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.146255993739	233.15360633476	-0.318285818109904	0.32	233	232.893191128673	0.10680887132699	6	0.133333333333333	1.33333333333333	4	17.8574099909692	17	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+233.174075740332	69229086.9201508	576.900631675484	"C12H24O4"	"O4"	"CHO"	12	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.166799288172	233.17473570696	-2.84263998999937	2.84	233	232.91371148428	0.0862885157200708	1	0.333333333333333	2	-3	17.8590353272923	16	0.9	26	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.205434611529	341731766.305689	662.157555340223	"C18H28O4"	"O4"	"CHO"	18	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.198158159369	309.20603583456	-1.95076776128971	1.95	309	308.860173060929	0.13982693907127	5	0.222222222222222	1.55555555555556	1	23.7075968755692	22	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.241918272961	39632885.4382498	658.979179180876	"C19H32O3"	"O3"	"CHO"	19	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.234641820801	309.24242133986	-1.63209072144423	1.63	309	308.896615984378	0.103384015621543	4	0.157894736842105	1.68421052631579	1	23.7103957605923	22	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+235.096230632649	25376705.6065294	793.140473720792	"C13H14O4"	"O4"	"CHO"	13	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.088954180489	235.09648538796	-1.0882842033136	1.09	235	234.833720081272	0.166279918727582	7	0.307692307692308	1.07692307692308	3	18.0068622258308	17	0.9	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+235.097059185939	74666461.98	412.6987125	"C13H14O4"	"O4"	"CHO"	13	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.089782733779	235.09648538796	2.45118762681673	2.45	235	234.834547709392	0.16545229060759	7	0.307692307692308	1.07692307692308	3	18.0068622258308	17	0.9	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.148000574714	125198353.370878	441.782774781912	"C16H22O6"	"O6"	"CHO"	16	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.140724122554	311.14891488776	-2.94805865493111	2.95	311	310.800569937605	0.199430062394867	6	0.375	1.375	0	23.8570491104308	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+447.09139876759	223658659.720138	415.664281683558	"C21H18O11"	"O11"	"CHO"	21	18	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	446.08412231543	447.09218787166	-1.76895798455237	1.77	447	446.592172517597	0.407827482402865	13	0.523809523809524	0.857142857142857	2	34.3142239553462	32	0.9	44	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.175951682021	101367721.15723	606.197914695425	"C17H26O7"	"O7"	"CHO"	17	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.168675229861	343.17512963766	2.40245358643881	2.4	343	342.792758348581	0.207241651418713	5	0.411764705882353	1.52941176470588	-2	26.3206040911923	24	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.163470541142	20144898.0223243	713.748984753899	"C20H22O3"	"O3"	"CHO"	20	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.156194088982	311.16417102086	-2.25847405703116	2.26	311	310.81602263013	0.183977369869581	10	0.15	1.1	7	23.8582226591308	23	1	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+235.154632819017	38347722.7678656	533.572886239266	"C11H22O5"	"O5"	"CHO"	11	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.147356366857	235.15400026546	2.70151910659121	2.7	235	234.892057055237	0.107942944762613	1	0.454545454545455	2	-4	18.0112864471769	16	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+451.269958186889	75580878.0997705	736.922918854	"C25H38O7"	"O7"	"CHO"	25	38	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	450.262681734729	451.26903002046	2.06138875527594	2.06	451	450.766066120119	0.233933879880965	7	0.28	1.52	0	34.6355195052538	32	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+453.138436436	80811414.3992582	493.038948676533	"C21H24O11"	"O11"	"CHO"	21	24	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	452.13115998384	453.13913806306	-1.55182195362753	1.55	453	452.632458009725	0.367541990275186	10	0.523809523809524	1.14285714285714	-1	34.7793739700692	32	0.9	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+345.153385295514	141165831.831464	453.556568938417	"C16H24O8"	"O8"	"CHO"	16	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.146108843354	345.15439419616	-2.9316055596394	2.93	345	344.767983942036	0.232016057964074	5	0.5	1.5	-3	26.4728552110769	24	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.220928811078	120468581.501674	695.818675516397	"C18H30O4"	"O4"	"CHO"	18	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.213652358918	311.22168589836	-2.44053501900128	2.44	311	310.873416741649	0.126583258351047	4	0.222222222222222	1.66666666666667	0	23.8626468804769	22	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+237.061070979319	24615456.0422894	310.479150673696	"C8H12O8"	"O8"	"CHO"	8	12	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.053794527159	237.06049381336	2.44506113604898	2.45	237	236.796366469658	0.203633530341733	3	1	1.5	-5	18.1579397970154	16	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+237.075276506845	150903793.802494	341.963652114747	"C12H12O5"	"O5"	"CHO"	12	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.068000054685	237.07574994646	-2.00552220079527	2.01	237	236.810556135165	0.189443864834686	7	0.416666666666667	1	2	18.1591133457154	17	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+455.191820302786	176224154.038383	276.053125694939	"C22H30O10"	"O10"	"CHO"	22	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	454.184543850626	455.19117363216	1.42380588408967	1.42	455	454.683549049741	0.316450950258911	8	0.454545454545455	1.36363636363636	-2	34.93722286	32	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+261.07560237228	28779334.8264582	458.5967248	"C14H12O5"	"O5"	"CHO"	14	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.06832592012	261.07574994646	-0.567443880306754	0.57	261	260.78408302233	0.215916977669963	9	0.357142857142857	0.857142857142857	4	20.0052671918692	19	0.9	30	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+313.128264107885	247453001.176331	226.969029141876	"C15H20O7"	"O7"	"CHO"	15	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.120987655725	313.12817944626	0.271246178111766	0.27	313	312.778622290824	0.22137770917584	6	0.466666666666667	1.33333333333333	-1	24.0093002303154	22	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+457.221151526137	35135937.8188327	503.504118946603	"C26H32O7"	"O7"	"CHO"	26	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	456.213875073977	457.22207982906	-2.03479765448416	2.03	457	456.710614303719	0.289385696281101	11	0.269230769230769	1.23076923076923	4	35.0934464136077	33	0.9	54	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+237.133085988785	102082199.704595	279.620113742371	"C10H20O6"	"O6"	"CHO"	10	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.125809536625	237.13326482396	-0.757372416668237	0.76	237	236.868301066521	0.131698933478646	1	0.6	2	-5	18.1635375670615	16	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+237.148278581511	165589096.722478	454.105344408654	"C14H20O3"	"O3"	"CHO"	14	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.141002129351	237.14852095706	-1.02640179738258	1.03	237	236.883476695063	0.116523304937431	5	0.214285714285714	1.42857142857143	2	18.1647111157615	17	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+313.200401821665	117528634.611138	695.0185885	"C17H28O5"	"O5"	"CHO"	17	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.193125369505	313.20095045686	-1.75735834764585	1.76	313	312.850679454989	0.149320545011449	4	0.294117647058824	1.64705882352941	-1	24.0148980003615	22	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+237.148279949358	428664129.83976	628.662688170864	"C14H20O3"	"O3"	"CHO"	14	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.141003497198	237.14852095706	-1.02060929040945	1.02	237	236.883478061382	0.11652193861778	5	0.214285714285714	1.42857142857143	2	18.1647111157615	17	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+237.148280862976	239078353.352769	725.8844788	"C14H20O3"	"O3"	"CHO"	14	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.141004410816	237.14852095706	-1.01674033531451	1.02	237	236.88347897398	0.11652102601991	5	0.214285714285714	1.42857142857143	2	18.1647111157615	17	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+315.180038998428	253711538.437601	548.7699662599	"C16H26O6"	"O6"	"CHO"	16	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.172762546268	315.18021501536	-0.56025522560583	0.56	315	314.828106151195	0.171893848805325	4	0.375	1.625	-2	24.1671491202462	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+239.0765825642	83845874.2163603	296.4493099	"C8H14O8"	"O8"	"CHO"	8	14	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.06930611204	239.07614387716	1.84268626294963	1.84	239	238.809627516298	0.190372483702163	2	1	1.75	-6	18.3129898019231	16	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+239.09096963952	54397381.5642522	407.698483532311	"C12H14O5"	"O5"	"CHO"	12	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.08369318736	239.09140001026	-1.80764475803138	1.81	239	238.823998526881	0.176001473118987	6	0.416666666666667	1.16666666666667	1	18.3141633506231	17	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+239.091465239598	100916730.33252	368.209756382328	"C12H14O5"	"O5"	"CHO"	12	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.084188787438	239.09140001026	0.273975934110126	0.27	239	238.824493573568	0.175506426432463	6	0.416666666666667	1.16666666666667	1	18.3141633506231	17	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+349.221171421555	117031422.667616	527.042657536609	"C17H32O7"	"O7"	"CHO"	17	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.213894969395	349.22207982906	-2.60876294157388	2.61	349	348.831227941749	0.168772058251307	2	0.411764705882353	1.88235294117647	-5	26.7857541059154	24	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+315.216084457157	194903645.400936	687.980605808451	"C17H30O5"	"O5"	"CHO"	17	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.208808004997	315.21660052066	-1.64242214038398	1.64	315	314.864111361242	0.135888638757535	3	0.294117647058824	1.76470588235294	-2	24.1699480052692	22	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+315.252136121319	50862179.0014252	789.019972115281	"C18H34O4"	"O4"	"CHO"	18	34	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.244859669159	315.25298602596	-2.70459361506848	2.7	315	314.900122769794	0.0998772302058342	2	0.222222222222222	1.88888888888889	-2	24.1727468902923	22	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+239.200148633619	38410521.8361947	581.61781820868	"C15H26O2"	"O2"	"CHO"	15	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.192872181459	239.20055652616	-1.71244646101272	1.71	239	238.93305561074	0.0669443892601578	3	0.133333333333333	1.73333333333333	1	18.3225600056923	17	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+239.200149558732	23045284.1097963	691.330041795498	"C15H26O2"	"O2"	"CHO"	15	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.192873106572	239.20055652616	-1.70856257241572	1.71	239	238.93305653482	0.0669434651801453	3	0.133333333333333	1.73333333333333	1	18.3225600056923	17	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+241.055618989444	22020089.5214256	154.42989360102	"C7H12O9"	"O9"	"CHO"	7	12	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.048342537284	241.05540843566	0.877130755429568	0.88	241	240.78645413179	0.213545868210474	2	1.28571428571429	1.71428571428571	-7	18.4652409218077	16	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+241.070185475489	158913316.891004	403.915531725973	"C11H12O6"	"O6"	"CHO"	11	12	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.062909023329	241.07066456876	-1.99569884792832	2	241	240.801004352766	0.198995647233914	6	0.545454545454545	1.09090909090909	0	18.4664144705077	17	0.9	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+317.195948120701	100517568.736948	488.816631466851	"C16H28O6"	"O6"	"CHO"	16	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.188671668541	317.19586507916	0.262632878589794	0.26	317	316.841764291332	0.158235708667519	3	0.375	1.75	-3	24.3221991251538	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+473.305633297866	37759740.2752352	722.679872406269	"C32H40O3"	"O3"	"CHO"	32	40	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	472.298356845706	473.30502159506	1.29516183389428	1.3	473	472.777135999409	0.222864000590505	13	0.09375	1.25	10	36.3305957802231	35	1	66	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+317.231582346442	39599211.7401061	584.49623007505	"C17H32O5"	"O5"	"CHO"	17	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.224305894282	317.23225058446	-2.11317727799472	2.11	317	316.877358727579	0.122641272421333	2	0.294117647058824	1.88235294117647	-3	24.3249980101769	22	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+319.065234654476	29240036.8725875	197.811833210515	"C12H14O10"	"O10"	"CHO"	12	14	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.057958202316	319.06597312176	-2.32180099540967	2.32	319	318.708963563064	0.291036436935599	6	0.833333333333333	1.16666666666667	-4	24.4660535899692	22	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+319.101948685732	50751199.14499	308.88360266298	"C13H18O9"	"O9"	"CHO"	13	18	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.094672233572	319.10235862706	-1.28874000024815	1.29	319	318.745636599105	0.254363400894874	5	0.692307692307692	1.38461538461538	-4	24.4688524749923	22	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+319.138668138025	124607407.063774	597.899913788873	"C14H22O8"	"O8"	"CHO"	14	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.131391685865	319.13874413236	-0.238877196496738	0.24	319	318.78231505013	0.217684949870318	4	0.571428571428571	1.57142857142857	-4	24.4716513600154	22	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+319.174630057078	29614342.3405306	500.183694102287	"C15H26O7"	"O7"	"CHO"	15	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.167353604918	319.17512963766	-1.57018178124012	1.57	319	318.818236813783	0.181763186217438	3	0.466666666666667	1.73333333333333	-4	24.4744502450385	22	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+477.264156713207	54150998.5761738	627.8149972	"C30H36O5"	"O5"	"CHO"	30	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	476.256880261047	477.26355071206	1.27242497098615	1.27	477	476.731239292141	0.26876070785886	13	0.166666666666667	1.2	8	36.6350980199923	35	1	62	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+319.210598237136	42658820.1590005	663.933500704501	"C16H30O6"	"O6"	"CHO"	16	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.203321784976	319.21151514296	-2.88150927777495	2.88	319	318.854164831449	0.145835168550548	2	0.375	1.875	-4	24.4772491300615	22	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+319.211362310522	51005341.1021561	573.602898621281	"C16H30O6"	"O6"	"CHO"	16	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.204085858362	319.21151514296	-0.480296906105299	0.48	319	318.854928051664	0.145071948335726	2	0.375	1.875	-4	24.4772491300615	22	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+243.085801134182	25767350.0773913	214.635242829603	"C11H14O6"	"O6"	"CHO"	11	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.078524682022	243.08631463256	-2.12120583057459	2.12	243	242.814369357008	0.185630642992095	5	0.545454545454545	1.27272727272727	-1	18.6214644754154	17	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+243.086820755952	158655015.7	487.821141289752	"C11H14O6"	"O6"	"CHO"	11	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.079544303792	243.08631463256	2.09073176114849	2.09	243	242.815387840259	0.18461215974088	5	0.545454545454545	1.27272727272727	-1	18.6214644754154	17	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+321.080760396159	40439570.9797775	165.642215314984	"C12H16O10"	"O10"	"CHO"	12	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.073483943999	321.08162318556	-2.69559786814497	2.7	321	320.722238750698	0.277761249301591	5	0.833333333333333	1.33333333333333	-5	24.6211035948769	22	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+243.122425437101	52304257.5525973	517.434510929453	"C12H18O5"	"O5"	"CHO"	12	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.115148984941	243.12270013786	-1.13458724136274	1.13	243	242.850952764903	0.14904723509693	4	0.416666666666667	1.5	-1	18.6242633604385	17	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+321.190422262025	77879641.7719177	513.592162207265	"C15H28O7"	"O7"	"CHO"	15	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.183145809865	321.19077970146	-1.11635930769703	1.12	321	320.831778167145	0.168221832854726	2	0.466666666666667	1.86666666666667	-5	24.6295002499462	22	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+321.205872158847	157546293.952548	535.337335959292	"C19H28O4"	"O4"	"CHO"	19	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.198595706687	321.20603583456	-0.511169365487097	0.51	321	320.847210812474	0.152789187525514	6	0.210526315789474	1.47368421052632	2	24.6306737986462	23	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+243.195186877923	83287443.9446276	655.794399185912	"C14H26O3"	"O3"	"CHO"	14	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.187910425763	243.19547114846	-1.17376022819958	1.17	243	242.92363295965	0.0763670403497656	2	0.214285714285714	1.85714285714286	-1	18.6298611304846	17	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+245.080951941323	94968190.0217109	481.831231129791	"C14H12O4"	"O4"	"CHO"	14	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.073675489163	245.08083532416	0.477794923062064	0.48	245	244.807292360934	0.192707639066185	9	0.285714285714286	0.857142857142857	5	18.774889144	18	1	30	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+323.148186729244	28701234.6470017	553.65884771082	"C17H22O6"	"O6"	"CHO"	17	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.140910277084	323.14891488776	-2.26037269018938	2.26	323	322.78735657707	0.212643422929659	7	0.352941176470588	1.29411764705882	1	24.7801260335077	23	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+245.101545143318	146381582.689166	404.760412135313	"C11H16O6"	"O6"	"CHO"	11	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.094268691158	245.10196469636	-1.71881562082112	1.72	245	244.827862568375	0.17213743162452	4	0.545454545454545	1.45454545454545	-2	18.7765144803231	17	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+359.133009244498	156965852.977695	342.586811552539	"C16H22O9"	"O9"	"CHO"	16	22	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.125732792338	359.13365875466	-1.8136372300198	1.81	359	358.73199811803	0.268001881969667	6	0.5625	1.375	-3	27.5481832540385	25	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+323.205878222536	331938011.127053	547.67045804277	"C15H30O7"	"O7"	"CHO"	15	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.198601770376	323.20642976526	-1.71180979981446	1.71	323	322.844983651526	0.155016348474476	1	0.466666666666667	2	-6	24.7845502548538	22	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+245.153563564879	183122215.776089	588.217389371596	"C16H20O2"	"O2"	"CHO"	16	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.146287112719	245.15360633476	-0.17518136984887	0.18	245	244.879822905702	0.120177094297759	7	0.125	1.25	5	18.7804869140462	18	1	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+323.257347688891	59735847.4473602	647.776252825704	"C20H34O3"	"O3"	"CHO"	20	34	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.250071236731	323.25807140366	-2.24581725056949	2.25	323	322.896395646615	0.103604353385435	4	0.15	1.7	1	24.7885226885769	23	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.090866276771	20237778.0565095	423.007399915154	"C15H16O8"	"O8"	"CHO"	15	16	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.083589824611	325.09179394096	-2.86242259124015	2.86	325	324.727866911259	0.272133088740532	8	0.533333333333333	1.06666666666667	0	24.9295782683692	23	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.127837292335	127662668.98437	420.903240543658	"C16H20O7"	"O7"	"CHO"	16	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.120560840175	325.12817944626	-1.05563782837102	1.06	325	324.764796644657	0.235203355342776	7	0.4375	1.25	0	24.9323771533923	23	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+247.1330845	101505362.449329	520.528329239693	"C15H18O3"	"O3"	"CHO"	15	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.12580804784	247.13287089326	0.867876236542249	0.87	247	246.857133490063	0.142866509937136	7	0.2	1.2	4	18.9327380339308	18	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.142787940137	878884237.469554	747.525596355179	"C20H20O4"	"O4"	"CHO"	20	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.135511487977	325.14343557936	-1.99805081536826	2	325	324.779730598432	0.220269401567691	11	0.2	1	7	24.9335507020923	24	1	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+247.153419195496	61600349.822734	656.38519288684	"C12H22O5"	"O5"	"CHO"	12	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.146142743336	247.15400026546	-2.36067060618262	2.36	247	246.877445479656	0.122554520343755	2	0.416666666666667	1.83333333333333	-3	18.9343633702538	17	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+247.153939180702	301072914.512492	517.432167649803	"C12H22O5"	"O5"	"CHO"	12	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.146662728542	247.15400026546	-0.248164071530054	0.25	247	246.877964884242	0.12203511575791	2	0.416666666666667	1.83333333333333	-3	18.9343633702538	17	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+247.169061870882	465094987.642793	694.52977724355	"C16H22O2"	"O2"	"CHO"	16	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.161785418722	247.16925639856	-0.790243204030199	0.79	247	246.893070688291	0.106929311708853	6	0.125	1.375	4	18.9355369189538	18	1	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.200226221673	436427836.400878	624.971590274595	"C18H28O5"	"O5"	"CHO"	18	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.192949769513	325.20095045686	-2.23396340814895	2.23	325	324.83710474387	0.162895256129957	5	0.277777777777778	1.55555555555556	0	24.9379749234385	23	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.200226863784	269823230.429959	653.321681299693	"C18H28O5"	"O5"	"CHO"	18	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.192950411624	325.20095045686	-2.2319827592058	2.23	325	324.837105385264	0.16289461473599	5	0.277777777777778	1.55555555555556	0	24.9379749234385	23	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+361.257541412133	36168002.5894327	630.174452369937	"C19H36O6"	"O6"	"CHO"	19	36	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.250264959973	361.25846533436	-2.56466772371481	2.56	361	360.854158014067	0.145841985932748	2	0.315789473684211	1.89473684210526	-4	27.7116299140154	25	0.9	40	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.236429457353	38414450.717917	659.856293752094	"C19H32O4"	"O4"	"CHO"	19	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.229153005193	325.23733596216	-2.79587692409351	2.8	325	324.873267554694	0.126732445306402	4	0.210526315789474	1.68421052631579	0	24.9407738084615	23	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+499.288822984076	23128292.5564576	696.070263572641	"C26H42O9"	"O9"	"CHO"	26	42	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	498.281546531916	499.29015939266	-2.68203507293583	2.68	499	498.731312623893	0.268687376107209	6	0.346153846153846	1.61538461538462	-3	38.3294525338846	35	0.9	54	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+327.106681872755	150542764.300104	437.127378714478	"C15H18O8"	"O8"	"CHO"	15	18	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.099405420595	327.10744400476	-2.33711559208868	2.34	327	326.741431629541	0.258568370459443	7	0.533333333333333	1.2	-1	25.0846282732769	23	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.133523321168	122716051.254698	165.402343813755	"C11H20O6"	"O6"	"CHO"	11	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.126246869008	249.13326482396	1.04179711439754	1.04	249	248.855338603372	0.144661396627924	2	0.545454545454545	1.81818181818182	-4	19.0866144901385	17	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+327.159087901286	33929713.839646	762.517768078145	"C20H22O4"	"O4"	"CHO"	20	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.151811449126	327.15908564316	0.00692354277232969	0.01	327	326.793779141032	0.206220858968095	10	0.2	1.1	6	25.088600707	24	1	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+327.180527536689	92776156.6934022	627.344365359625	"C17H26O6"	"O6"	"CHO"	17	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.173251084529	327.18021501536	0.958145181993568	0.96	327	326.815194836746	0.184805163253543	5	0.352941176470588	1.52941176470588	-1	25.0902260433231	23	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.148290324881	21647018.2008871	693.330951190241	"C15H20O3"	"O3"	"CHO"	15	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.141013872721	249.14852095706	-0.929439980163192	0.93	249	248.870089118117	0.129910881883177	6	0.2	1.33333333333333	3	19.0877880388385	18	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.148816119305	87684265.8180305	460.767246166077	"C15H20O3"	"O3"	"CHO"	15	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.141539667145	249.14852095706	1.18949147078442	1.19	249	248.870614325434	0.129385674565953	6	0.2	1.33333333333333	3	19.0877880388385	18	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249.169399166473	158641061.564314	504.002040383533	"C12H24O5"	"O5"	"CHO"	12	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.162122714313	249.16965032926	-1.01209154819298	1.01	249	248.891174389388	0.108825610612286	1	0.416666666666667	2	-4	19.0894133751615	17	0.9	26	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329.086022088275	70944135.2838794	265.629257953111	"C14H16O9"	"O9"	"CHO"	14	16	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.078745636115	329.08670856326	-2.09240919789361	2.09	329	328.718561696093	0.281438303906725	7	0.642857142857143	1.14285714285714	-2	25.2368793931615	23	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+365.180231127588	147091957.187123	483.715202310024	"C16H28O9"	"O9"	"CHO"	16	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	364.172954675428	365.18060894606	-1.037469881067	1.04	365	364.772467619142	0.227532380857724	3	0.5625	1.75	-6	28.0133332687615	25	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+301.164221468328	71362756.6627083	599.082908074165	"C15H24O6"	"O6"	"CHO"	15	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.156945016168	301.16456495156	-1.14434544238509	1.14	301	300.82793880816	0.172061191839703	4	0.4	1.6	-2	23.0890221922615	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+301.164222063021	28328169.6436897	662.732111869613	"C15H24O6"	"O6"	"CHO"	15	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.156945610861	301.16456495156	-1.14236416660527	1.14	301	300.827939402189	0.172060597810741	4	0.4	1.6	-2	23.0890221922615	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+415.320307417715	20714290.9423802	738.838470715591	"C27H42O3"	"O3"	"CHO"	27	42	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.313030965555	415.32067165886	-0.87914479566723	0.88	415	414.856557052153	0.143442947846893	7	0.111111111111111	1.55555555555556	4	31.8702611697462	30	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329.174962901292	61395339.7724916	385.375203611781	"C20H24O4"	"O4"	"CHO"	20	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.167686449132	329.17473570696	0.6923117095128	0.69	329	328.807403197004	0.192596802996093	9	0.2	1.2	5	25.2436507119077	24	1	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+367.189668882483	77480764.5756688	1271.50282874464	"C23H26O4"	"O4"	"CHO"	23	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.182392430323	367.19038577076	-1.95773552162453	1.96	367	366.779661617889	0.220338382111322	11	0.173913043478261	1.1304347826087	7	28.1679314860462	27	1	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329.231873592737	138965841.648087	593.243864143523	"C18H32O5"	"O5"	"CHO"	18	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.224597140577	329.23225058446	-1.14857852297394	1.15	329	328.864250341462	0.135749658537577	3	0.277777777777778	1.77777777777778	-2	25.2480749332538	23	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+251.09104322386	130395593.378555	462.951101230604	"C13H14O5"	"O5"	"CHO"	13	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.0837667717	251.09140001026	-1.42666757055839	1.43	251	250.810672721853	0.189327278146948	7	0.384615384615385	1.07692307692308	2	19.2372402737	18	0.9	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329.231874242637	101710219.893336	693.760725029301	"C18H32O5"	"O5"	"CHO"	18	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.224597790477	329.23225058446	-1.14659847404615	1.15	329	328.864250990637	0.13574900936328	3	0.277777777777778	1.77777777777778	-2	25.2480749332538	23	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331.138363126952	175748490.171587	130.178179883049	"C15H22O8"	"O8"	"CHO"	15	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.131086674792	331.13874413236	-1.15410339514289	1.15	331	330.768611072432	0.231388927568275	5	0.533333333333333	1.46666666666667	-3	25.3947282830923	23	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331.17475446817	72906846.5692099	480.648395143507	"C16H26O7"	"O7"	"CHO"	16	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.16747801601	331.17512963766	-1.13630055945891	1.14	331	330.804961778753	0.195038221246932	4	0.4375	1.625	-3	25.3975271681154	23	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+251.12788884478	71290299.71	677.891250549117	"C14H18O4"	"O4"	"CHO"	14	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.12061239262	251.12778551556	0.413117571590388	0.41	251	250.847477200624	0.152522799376442	6	0.285714285714286	1.28571428571429	2	19.2400391587231	18	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+251.148714656194	81827744.57	376.712520248583	"C11H22O6"	"O6"	"CHO"	11	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.141438204034	251.14891488776	-0.800473393914792	0.8	251	250.86827975775	0.131720242249514	1	0.545454545454545	2	-5	19.2416644950462	17	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331.190930959112	25003955.5873634	640.480313755847	"C20H26O4"	"O4"	"CHO"	20	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.183654506952	331.19038577076	1.65116699304255	1.65	331	330.821120206881	0.178879793119279	8	0.2	1.3	4	25.3987007168154	24	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331.247553677299	69586220.22	594.115797271509	"C18H34O5"	"O5"	"CHO"	18	34	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.240277225139	331.24790064826	-1.0506621539925	1.05	331	330.877679699635	0.122320300365288	2	0.277777777777778	1.88888888888889	-3	25.4031249381615	23	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331.283964897686	41751491.1216618	925.858690842933	"C19H38O4"	"O4"	"CHO"	19	38	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.276688445526	331.28428615356	-0.972687099100755	0.97	331	330.914050262928	0.0859497370722124	1	0.210526315789474	2	-3	25.4059238231846	23	0.9	40	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+371.169338777584	58551000.709083	520.472425520938	"C18H26O8"	"O8"	"CHO"	18	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.162062325424	371.17004425996	-1.90587433928578	1.91	371	370.754887778032	0.245112221967872	6	0.444444444444444	1.44444444444444	-2	28.4740590621385	26	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+251.200533002989	36207660.5482196	783.007924972806	"C16H26O2"	"O2"	"CHO"	16	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.193256550829	251.20055652616	-0.0940200040535376	0.09	251	250.920040243717	0.0799597562834435	4	0.125	1.625	2	19.2456369287692	18	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+253.0706551	96832693.1072372	257.305594748108	"C12H12O6"	"O6"	"CHO"	12	12	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.06337864784	253.07066456876	-0.0375649966316851	0.04	253	252.788074145687	0.211925854312852	7	0.5	1	1	19.3894913935846	18	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+253.106314880516	175800277.105367	427.4575952018	"C13H16O5"	"O5"	"CHO"	13	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.099038428356	253.10705007406	-2.91628856885735	2.92	253	252.823694108174	0.17630589182636	6	0.384615384615385	1.23076923076923	1	19.3922902786077	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.101167980934	699143201.455643	1010.50645534574	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093891528774	279.10157076566	-1.44837674696598	1.45	279	278.789521123392	0.21047887660751	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+253.179819702577	261140176.806015	627.47814389983	"C15H24O3"	"O3"	"CHO"	15	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.172543250417	253.17982108466	-0.00548070378937215	0.01	253	252.897116854094	0.102883145906333	4	0.2	1.6	1	19.3978880486538	18	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+253.194687175007	59761741.4643616	596.809177319862	"C19H24"	""	"CH"	19	24	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.187410722847	253.19507721776	-1.54663847762682	1.55	253	252.911967725371	0.0880322746288584	8	0	1.26315789473684	8	19.3990615973538	19	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+335.2071599542	73363417.5242883	624.756559793189	"C16H30O7"	"O7"	"CHO"	16	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	334.19988350204	335.20642976526	2.18488687771317	2.18	335	334.832864644793	0.16713535520654	2	0.4375	1.875	-5	25.7076271779308	23	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+335.221983069299	48349088.0814597	470.737229499949	"C20H30O4"	"O4"	"CHO"	20	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	334.214706617139	335.22168589836	0.889161766571514	0.89	335	334.84767120827	0.15232879173027	6	0.2	1.5	2	25.7088007266308	24	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+373.272987878718	23320690.2314763	781.255642677449	"C24H36O3"	"O3"	"CHO"	24	36	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.265711426558	373.27372146746	-1.9706051871173	1.97	373	372.856187925787	0.143812074213315	7	0.125	1.5	4	28.6358803857923	27	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.086344900556	56167110.0041532	358.166630915749	"C12H14O6"	"O6"	"CHO"	12	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.079068448396	255.08631463256	0.119128254817938	0.12	255	254.801513209004	0.198486790995503	6	0.5	1.16666666666667	0	19.5445413984923	18	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+375.09218553491	62909956.9370373	198.974140452875	"C15H18O11"	"O11"	"CHO"	15	18	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	374.08490908275	375.09218787166	-0.00624657638209986	0.01	375	374.673354249624	0.326645750376201	7	0.733333333333333	1.2	-4	28.7757624168846	26	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+337.236493410108	349579787.690273	661.721057781277	"C20H32O4"	"O4"	"CHO"	20	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	336.229216957948	337.23733596216	-2.50588589424017	2.51	337	336.859932128835	0.140067871164604	5	0.2	1.6	1	25.8638507315385	24	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+375.200415227562	147776009.117211	550.195506456014	"C18H30O8"	"O8"	"CHO"	18	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	374.193138775402	375.20134438756	-2.48310271265999	2.48	375	374.781463092034	0.21853690796587	4	0.444444444444444	1.66666666666667	-4	28.7841590719538	26	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+375.273570098515	74121122.1371541	603.440780305108	"C20H38O6"	"O6"	"CHO"	20	38	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	374.266293646355	375.27411539816	-1.45698304728174	1.46	375	374.854536277605	0.145463722395334	2	0.3	1.9	-4	28.789756842	26	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.195041906561	59620341.4082084	615.748747438136	"C17H26O3"	"O3"	"CHO"	17	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.187765454401	279.19547114846	-1.54299344647209	1.54	279	278.883290228555	0.116709771444505	5	0.176470588235294	1.52941176470588	2	21.3990918997154	20	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+349.23781288152	29723974.2244966	691.368366589972	"C21H32O4"	"O4"	"CHO"	21	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.23053642936	349.23733596216	1.36955065708166	1.37	349	348.847850819711	0.1521491802892	6	0.19047619047619	1.52380952380952	2	26.7869276546154	25	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+377.144779900262	34178842.9212634	553.815921058028	"C16H24O10"	"O10"	"CHO"	16	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.137503448102	377.14422344076	1.4794044647981	1.48	377	376.72365666977	0.276343330229565	5	0.625	1.5	-5	28.9336113068154	26	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+339.252436055406	173859319.991454	651.482007133249	"C20H34O4"	"O4"	"CHO"	20	34	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.245159603246	339.25298602596	-1.62595247379071	1.63	339	338.873623754566	0.12637624543396	4	0.2	1.7	0	26.0189007364462	24	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+377.181146807019	36852206.0101355	469.199297785449	"C17H28O9"	"O9"	"CHO"	17	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.173870354859	377.18060894606	1.42982009491112	1.43	377	376.759982968914	0.240017031085586	4	0.529411764705882	1.64705882352941	-5	28.9364101918385	26	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+341.195163027526	331208128.665361	621.4303679	"C18H28O6"	"O6"	"CHO"	18	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.187886575366	341.19586507916	-2.06371732121617	2.06	341	340.814181460393	0.185818539606544	5	0.333333333333333	1.55555555555556	-1	26.1683529713077	24	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+255.231286497577	28744438.6307366	833.613619111504	"C16H30O2"	"O2"	"CHO"	16	30	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.224010045417	255.23185665376	-2.24273145123547	2.24	255	254.946292962943	0.0537070370565971	2	0.125	1.875	0	19.5557369385846	18	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+341.232378812383	195349108.645953	709.710553229585	"C19H32O5"	"O5"	"CHO"	19	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.225102360223	341.23225058446	0.376891423174207	0.38	341	340.851355689773	0.148644310227382	4	0.263157894736842	1.68421052631579	-1	26.1711518563308	24	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+257.137835278857	33309338.9035295	737.674541340958	"C13H20O5"	"O5"	"CHO"	13	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.130558826697	257.13835020166	-2.01039190858426	2.01	257	256.850712874822	0.149287125178091	4	0.384615384615385	1.53846153846154	-1	19.7023902884231	18	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.044608845503	58146733.4983053	194.900961011564	"C17H10O8"	"O8"	"CHO"	17	10	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.037332393343	343.04484374956	-0.686778999807617	0.69	343	342.661562170648	0.338437829352074	13	0.470588235294118	0.588235294117647	5	26.3105820998	25	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.0446095	67634925.9743873	271.55433605433	"C17H10O8"	"O8"	"CHO"	17	10	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.03733304784	343.04484374956	-0.684865473455804	0.68	343	342.661562824414	0.338437175585909	13	0.470588235294118	0.588235294117647	5	26.3105820998	25	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+283.139515447227	142465462.631132	164.083264601362	"C11H22O8"	"O8"	"CHO"	11	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.132238995067	283.13874413236	2.73387709870507	2.73	283	282.823359334828	0.176640665172329	1	0.727272727272727	2	-7	21.7024205907846	19	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.101742947235	141328241.046816	451.159273770574	"C15H18O9"	"O9"	"CHO"	15	18	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.094466495075	343.10235862706	-1.79973628716343	1.8	343	342.718632475931	0.281367524068514	7	0.6	1.2	-2	26.3150063211462	24	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+257.210887710932	76661013.9381832	674.763077067104	"C15H28O3"	"O3"	"CHO"	15	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.203611258772	257.21112121226	-0.911389682634148	0.91	257	256.923683735899	0.0763162641013651	2	0.2	1.86666666666667	-1	19.7079880584692	18	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.1392698	63613921.39	421.807094942433	"C16H22O8"	"O8"	"CHO"	16	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.13199334784	343.13874413236	1.53644689843183	1.54	343	342.756117425878	0.243882574122495	6	0.5	1.375	-2	26.3178052061692	24	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.139270488266	39143734.9735938	475.726159211369	"C16H22O8"	"O8"	"CHO"	16	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.131994036106	343.13874413236	1.53845859252929	1.54	343	342.756118113375	0.243881886625047	6	0.5	1.375	-2	26.3178052061692	24	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+381.211926465294	147671899.849254	334.341271018819	"C17H32O9"	"O9"	"CHO"	17	32	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.204650013134	381.21190907366	0.0457428231332879	0.05	381	380.786261822614	0.21373817738629	2	0.529411764705882	1.88235294117647	-7	29.2465102016538	26	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+283.190032092455	91790270.4446445	508.313039424984	"C16H26O4"	"O4"	"CHO"	16	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.182755640295	283.19038577076	-1.25336611790052	1.25	283	282.873819572718	0.126180427281668	4	0.25	1.625	0	21.7063930245077	20	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.210931027628	594443514.053135	371.977404956547	"C18H30O6"	"O6"	"CHO"	18	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.203654575468	343.21151514296	-1.70692312643832	1.71	343	342.827698635939	0.172301364061468	4	0.333333333333333	1.66666666666667	-2	26.3234029762154	24	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+345.08085815087	74142522.01	223.489474993538	"C14H16O10"	"O10"	"CHO"	14	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.07358169871	345.08162318556	-2.22346245308337	2.22	345	344.69553778185	0.304462218150491	7	0.714285714285714	1.14285714285714	-3	26.4672574410308	24	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+259.15372323861	91159620.9835058	576.228193508224	"C13H22O5"	"O5"	"CHO"	13	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.14644678645	259.15400026546	-1.07313834250709	1.07	259	258.86434987607	0.135650123930077	3	0.384615384615385	1.69230769230769	-2	19.8574402933308	18	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+259.153723238901	85195142.5113553	583.835925394186	"C13H22O5"	"O5"	"CHO"	13	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.146446786741	259.15400026546	-1.07313721509038	1.07	259	258.864349876361	0.135650123639323	3	0.384615384615385	1.69230769230769	-2	19.8574402933308	18	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+385.127072703372	175855378.328113	150.809527868777	"C21H20O7"	"O7"	"CHO"	21	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.119796251212	385.12817944626	-2.88124407749732	2.88	385	384.697036373426	0.302963626574012	12	0.333333333333333	0.952380952380952	5	29.5477617687769	28	0.9	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+385.185910135392	90207574.169114	650.964570510004	"C19H28O8"	"O8"	"CHO"	19	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.178633683232	385.18569432376	0.561748137704588	0.56	385	384.755808107044	0.244191892956223	6	0.421052631578947	1.47368421052632	-2	29.5521859901231	27	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+345.190388635287	185784824.022966	541.77928411575	"C17H28O7"	"O7"	"CHO"	17	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.183112183127	345.19077970146	-1.13621545959698	1.14	345	344.804945963549	0.19505403645087	4	0.411764705882353	1.64705882352941	-3	26.4756540961	24	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+259.190675905738	64656288.9718862	550.497243356705	"C14H26O4"	"O4"	"CHO"	14	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.183399453578	259.19038577076	1.12375535613766	1.12	259	258.90126128152	0.0987387184803197	2	0.285714285714286	1.85714285714286	-2	19.8602391783538	18	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+259.205236189027	241999271.396477	287.878102408943	"C18H26O"	"O"	"CHO"	18	26	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.197959736867	259.20564190386	-1.57133245129792	1.57	259	258.915805306666	0.0841946933336999	6	0.0555555555555556	1.44444444444444	5	19.8614127270538	19	1	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+387.12774950533	21005951.1448888	451.521696957375	"C17H22O10"	"O10"	"CHO"	17	22	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.12047305317	387.12857337696	-2.13371651470279	2.13	387	386.695479201794	0.30452079820634	7	0.588235294117647	1.29411764705882	-3	29.7016382249846	27	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+261.148075184002	119040375.056861	553.646211268833	"C16H20O3"	"O3"	"CHO"	16	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.140798731842	261.14852095706	-1.71358379837919	1.71	261	260.856474910263	0.143525089737011	7	0.1875	1.25	4	20.0108649619154	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+347.184418213896	196056960.023531	431.561524354824	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.177141761736	347.18530039306	-2.54834608528306	2.55	347	346.796748990917	0.203251009083147	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+347.184420901798	86619392.119046	697.841956525437	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.177144449638	347.18530039306	-2.54058153788362	2.54	347	346.796751675818	0.203248324182482	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+347.185288296729	113257986.164616	596.921805641379	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.178011844569	347.18530039306	-0.0349425167485945	0.03	347	346.797618102208	0.202381897792407	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+261.170161949777	98626047.8549004	490.819456407632	"C13H24O5"	"O5"	"CHO"	13	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.162885497617	261.16965032926	1.96653921663979	1.97	261	260.878537013758	0.121462986241966	2	0.384615384615385	1.84615384615385	-3	20.0124902982385	18	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+261.205849255758	191718970.017912	730.50823624959	"C14H28O4"	"O4"	"CHO"	14	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.198572803598	261.20603583456	-0.71706312607748	0.72	261	260.914184470974	0.0858155290256377	1	0.285714285714286	2	-3	20.0152891832615	18	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.091078275692	96804643.8676134	415.848778436571	"C14H14O5"	"O5"	"CHO"	14	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.083801823532	263.09140001026	-1.22760188058718	1.23	263	262.797308427343	0.202691572657159	8	0.357142857142857	1	3	20.1603171967769	19	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.127158569519	22444632.9752297	524.091789663732	"C15H18O4"	"O4"	"CHO"	15	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.119882117359	263.12778551556	-2.39182940237487	2.39	263	262.833348433591	0.166651566408575	7	0.266666666666667	1.2	3	20.1631160818	19	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.1271586	160957215.059434	479.294330677274	"C15H18O4"	"O4"	"CHO"	15	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.11988214784	263.12778551556	-2.39171311570245	2.39	263	262.833348464038	0.166651535961648	7	0.266666666666667	1.2	3	20.1631160818	19	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.127731809573	98687587.2649183	541.748346	"C15H18O4"	"O4"	"CHO"	15	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.120455357413	263.12778551556	-0.20489048413486	0.2	263	262.83392103356	0.166078966439557	7	0.266666666666667	1.2	3	20.1631160818	19	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.127733321539	27692883.4464109	757.5359329	"C15H18O4"	"O4"	"CHO"	15	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.120456869379	263.12778551556	-0.199122272380325	0.2	263	262.833922543838	0.166077456161815	7	0.266666666666667	1.2	3	20.1631160818	19	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+315.180789273921	206904580.398038	502.44859774476	"C16H26O6"	"O6"	"CHO"	16	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.173512821761	315.18021501536	1.82783887750029	1.83	315	314.828855588923	0.171144411076625	4	0.375	1.625	-2	24.1671491202462	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+349.2369357	73273556.09	571.240075125326	"C21H32O4"	"O4"	"CHO"	21	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.22965924784	349.23733596216	-1.14942007194269	1.15	349	348.84697461766	0.153025382340445	6	0.19047619047619	1.52380952380952	2	26.7869276546154	25	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.210779760648	24255903.1921241	720.797751903011	"C16H28O3"	"O3"	"CHO"	16	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.203503308488	269.21112121226	-1.27310645745205	1.27	269	268.91017659895	0.0898234010501255	3	0.1875	1.75	0	20.6310649815462	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.163819608309	159930995.896627	639.294761	"C16H22O3"	"O3"	"CHO"	16	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.156543156149	263.16417102086	-1.34046835831646	1.34	263	262.869968536338	0.130031463662021	6	0.1875	1.375	3	20.1659149668231	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.185017197282	56081070.7362733	594.648490048518	"C13H26O5"	"O5"	"CHO"	13	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.177740745122	263.18530039306	-1.08016713096862	1.08	263	262.891142455894	0.108857544106229	1	0.384615384615385	2	-4	20.1675403031462	18	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.199915346605	30407203.4090923	712.6438282	"C17H26O2"	"O2"	"CHO"	17	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.192638894445	263.20055652616	-2.44545215944584	2.45	263	262.90602396981	0.0939760301898218	5	0.117647058823529	1.52941176470588	3	20.1687138518462	19	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+263.200487843713	82384172.3425496	662.7254354	"C17H26O2"	"O2"	"CHO"	17	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.193211391553	263.20055652616	-0.261953566992898	0.26	263	262.906595827663	0.0934041723372161	5	0.117647058823529	1.52941176470588	3	20.1687138518462	19	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+264.997950105301	22935621.8636681	301.123453	"C11H4O8"	"O8"	"CHO"	11	4	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	263.990673653141	264.99789355816	0.214201283066556	0.21	265	264.702051026832	0.297948973168275	10	0.727272727272727	0.363636363636364	2	20.3069705466154	19	0.9	24	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.048897201862	40588967.022738	169.308515724861	"C16H8O4"	"O4"	"CHO"	16	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.041620749702	265.04953519656	-2.41626564840911	2.42	265	264.75294123541	0.247058764590406	13	0.25	0.5	9	20.3109429803385	20	1	34	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+355.160039122111	79158431.5800819	142.842921735156	"C14H26O10"	"O10"	"CHO"	14	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.152762669951	355.15987350456	0.467644385391221	0.47	355	354.763464249575	0.236535750425162	2	0.714285714285714	1.85714285714286	-8	27.2425074655692	24	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.0853887339	58976495.0391841	1152.90192761909	"C17H12O3"	"O3"	"CHO"	17	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.07811228174	265.08592070186	-2.01443412104185	2.01	265	264.789392020677	0.210607979323129	12	0.176470588235294	0.705882352941177	9	20.3137418653615	20	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.085390693353	24588005.3346294	1318.93141229107	"C17H12O3"	"O3"	"CHO"	17	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.078114241193	265.08592070186	-2.00701413105645	2.01	265	264.789393977942	0.210606022058073	12	0.176470588235294	0.705882352941177	9	20.3137418653615	20	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+355.2468814	362512968.698093	707.535399	"C20H34O5"	"O5"	"CHO"	20	34	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.23960494784	355.24790064826	-2.87728488216105	2.88	355	354.850209558601	0.149790441399432	4	0.25	1.7	-1	27.2492787843154	25	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+355.262156982465	86859399.8559147	698.565919844877	"C24H34O2"	"O2"	"CHO"	24	34	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.254880530305	355.26315678136	-2.82225863342334	2.82	355	354.865468084214	0.134531915786283	8	0.0833333333333333	1.41666666666667	6	27.2504523330154	26	1	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.060661628738	429590390.378152	220.05498160461	"C18H12O8"	"O8"	"CHO"	18	12	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.053385176578	357.06049381336	0.471320832753853	0.47	357	356.661964504132	0.338035495868439	13	0.444444444444444	0.666666666666667	5	27.3887090277846	26	0.9	38	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.060732947838	24753251.1066146	300.535125332901	"C18H12O8"	"O8"	"CHO"	18	12	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.053456495678	357.06049381336	0.671625211494203	0.67	357	356.662035743596	0.33796425640395	13	0.444444444444444	0.666666666666667	5	27.3887090277846	26	0.9	38	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.080583043352	32959534.0523894	391.523786855691	"C15H16O10"	"O10"	"CHO"	15	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.073306591192	357.08162318556	-2.92114626033883	2.92	357	356.681863674316	0.318136325683952	8	0.666666666666667	1.06666666666667	-2	27.3903343641077	25	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.117711213673	41577484.59	503.171117183942	"C16H20O9"	"O9"	"CHO"	16	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.110434761513	357.11800869086	-0.835350941675658	0.84	357	356.71895038699	0.281049613009657	7	0.5625	1.25	-2	27.3931332491308	25	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.179233850107	38845257.8417397	742.968758919951	"C16H24O3"	"O3"	"CHO"	16	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.171957397947	265.17982108466	-2.22292539594025	2.22	265	264.883132348589	0.116867651411269	5	0.1875	1.5	2	20.3209649717308	19	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265.215744023371	230359046.746932	299.089839109936	"C17H28O2"	"O2"	"CHO"	17	28	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.208467571211	265.21620658996	-1.75076368018746	1.75	265	264.919601754267	0.0803982457329084	4	0.117647058823529	1.64705882352941	2	20.3237638567538	19	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.190170905733	187506413.301998	562.829691066334	"C18H28O7"	"O7"	"CHO"	18	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.182894453573	357.19077970146	-1.70922224636742	1.71	357	356.791329169911	0.20867083008909	5	0.388888888888889	1.55555555555556	-2	27.3987310191769	25	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.190171580685	25918601.3651627	616.976112620306	"C18H28O7"	"O7"	"CHO"	18	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.182895128525	357.19077970146	-1.70732728410489	1.71	357	356.791329844109	0.208670155890786	5	0.388888888888889	1.55555555555556	-2	27.3987310191769	25	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.191078835296	39312805.54	713.991286040034	"C18H28O7"	"O7"	"CHO"	18	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.183802383136	357.19077970146	0.839829981178803	0.84	357	356.792236085672	0.207763914328325	5	0.388888888888889	1.55555555555556	-2	27.3987310191769	25	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267.122369547836	119762382.344795	754.569058710899	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.115093095676	267.12270013786	-1.24228212732374	1.24	267	266.824098323639	0.175901676361491	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267.122418171045	920636657.315155	300.687673473364	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.115141718885	267.12270013786	-1.05956697214396	1.06	267	266.824146892554	0.175853107445619	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267.12295386121	766738141.138855	554.150345090884	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.11567740905	267.12270013786	0.953432554317845	0.95	267	266.824681984563	0.175318015437028	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267.144043007651	146374914.521394	143.606349019739	"C11H22O7"	"O7"	"CHO"	11	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.136766555491	267.14382951006	0.802210058266383	0.8	267	266.845747582675	0.154252417325324	1	0.636363636363636	2	-6	20.4720425429154	18	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+403.195373883544	390714472.170174	366.743322132985	"C19H30O9"	"O9"	"CHO"	19	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	402.188097431384	403.19625900986	-2.20077700374462	2.2	403	402.745162327085	0.254837672914505	5	0.473684210526316	1.57894736842105	-4	30.9376140429	28	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267.195614523553	160360350.520291	588.497625463138	"C16H26O3"	"O3"	"CHO"	16	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.188338071393	267.19547114846	0.538622743685577	0.54	267	266.897261513361	0.102738486638771	4	0.1875	1.625	1	20.4760149766385	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+359.206083268496	254183012.75028	330.613525182747	"C18H30O7"	"O7"	"CHO"	18	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.198806816336	359.20642976526	-0.96733087157752	0.97	359	358.80499054692	0.195009453079706	4	0.388888888888889	1.66666666666667	-3	27.5537810240846	25	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+371.242277677745	449357761.683002	663.623620386627	"C20H34O6"	"O6"	"CHO"	20	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.235001225585	371.24281527056	-1.45203131319821	1.45	371	370.827745233966	0.172254766034428	4	0.3	1.7	-2	28.4796568321846	26	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+359.278267806528	53635895.7402612	646.039841791667	"C20H38O5"	"O5"	"CHO"	20	38	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.270991354368	359.27920077586	-2.60408839816273	2.6	359	358.877094483052	0.122905516947696	2	0.25	1.9	-3	27.5593787941308	25	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+359.315741281198	24648090.6055374	962.470693829657	"C21H42O4"	"O4"	"CHO"	21	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.308464829038	359.31558628116	0.432588267352061	0.43	359	358.914526114506	0.0854738854943093	1	0.19047619047619	2	-3	27.5621776791538	25	0.9	44	1	0	0	0	0	0	0	0	0	0	"Unambiguous"
+407.190204755182	164676967.893588	521.225247528797	"C18H30O10"	"O10"	"CHO"	18	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	406.182928303022	407.19117363216	-2.38532176140585	2.39	407	406.735532534884	0.264467465115956	4	0.555555555555556	1.66666666666667	-6	31.2449151676923	28	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+407.22659111443	270332205.929435	371.886923599262	"C19H34O9"	"O9"	"CHO"	19	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	406.21931466227	407.22755913746	-2.38300591591165	2.38	407	406.771878264798	0.228121735201739	3	0.473684210526316	1.78947368421053	-6	31.2477140527154	28	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+361.184761674803	88142895.4151489	587.358897391807	"C17H28O8"	"O8"	"CHO"	17	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.177485222643	361.18569432376	-2.58941492814851	2.59	361	360.781459543242	0.218540456757864	4	0.470588235294118	1.64705882352941	-4	27.7060321439692	25	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+361.200420442837	161305884.711567	555.742338896937	"C21H28O5"	"O5"	"CHO"	21	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.193143990677	361.20095045686	-1.47147171399301	1.47	361	360.797100826556	0.202899173444109	8	0.238095238095238	1.33333333333333	3	27.7072056926692	26	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+361.200421125726	33605035.0957564	608.6628259	"C21H28O5"	"O5"	"CHO"	21	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.193144673566	361.20095045686	-1.46957581454054	1.47	361	360.797101508682	0.202898491317683	8	0.238095238095238	1.33333333333333	3	27.7072056926692	26	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.112839899239	80734340.25	457.191101821137	"C14H18O7"	"O7"	"CHO"	14	18	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.105563447079	299.11252938246	1.04163362622843	1.04	299	298.778847830058	0.221152169942457	6	0.5	1.28571428571429	-1	22.9311733023308	21	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.210778723392	59149270.3098	599.095938543424	"C16H28O3"	"O3"	"CHO"	16	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.203502271232	269.21112121226	-1.27697388379719	1.28	269	268.910175562852	0.0898244371479109	3	0.1875	1.75	0	20.6310649815462	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.128113594752	19921678.5153106	541.745502736978	"C18H18O4"	"O4"	"CHO"	18	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.120837142592	299.12778551556	1.10049064381578	1.1	299	298.794104470826	0.205895529174313	10	0.222222222222222	1	6	22.9323468510308	22	1	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269.210779759833	20481777.922575	737.849164277252	"C16H28O3"	"O3"	"CHO"	16	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.203503307673	269.21112121226	-1.27310949627133	1.27	269	268.910176598136	0.089823401864237	3	0.1875	1.75	0	20.6310649815462	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+339.106580480059	22013112.2118084	327.420339850909	"C16H18O8"	"O8"	"CHO"	16	18	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.099304027899	339.10744400476	-2.55405642873525	2.55	339	338.727931042858	0.272068957142494	8	0.5	1.125	0	26.0077051963538	24	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+271.116987929864	108577752.080177	363.381465291143	"C13H18O6"	"O6"	"CHO"	13	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.109711477704	271.11761476016	-2.32065071833911	2.32	271	270.814256279095	0.185743720905123	5	0.461538461538462	1.38461538461538	-1	20.7777183313846	19	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363.202121477666	123640709.900031	411.488671632464	"C17H30O8"	"O8"	"CHO"	17	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.194845025506	363.20134438756	2.14550294331381	2.15	363	362.796566744127	0.203433255872937	3	0.470588235294118	1.76470588235294	-5	27.8610821488769	25	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+271.154134758418	51893745.8590981	656.324952666371	"C14H22O5"	"O5"	"CHO"	14	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.146858306258	271.15400026546	0.497851275615826	0.5	271	270.851361629168	0.148638370831748	4	0.357142857142857	1.57142857142857	-1	20.7805172164077	19	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363.216055919457	67589660.09	574.411124963564	"C21H30O5"	"O5"	"CHO"	21	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.208779467297	363.21660052066	-1.50355605347341	1.5	363	362.810485626596	0.189514373404165	7	0.238095238095238	1.42857142857143	2	27.8622556975769	26	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363.216055919515	57151594.4452635	537.968656974198	"C21H30O5"	"O5"	"CHO"	21	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.208779467355	363.21660052066	-1.50355589339895	1.5	363	362.810485626654	0.189514373346242	7	0.238095238095238	1.42857142857143	2	27.8622556975769	26	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+271.190687279487	110994569.485144	650.796587780275	"C15H26O4"	"O4"	"CHO"	15	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.183410827327	271.19038577076	1.11594093105462	1.12	271	270.887873335366	0.112126664634332	3	0.266666666666667	1.73333333333333	-1	20.7833161014308	19	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+271.226049458266	39821345.8007275	810.6785914	"C16H30O3"	"O3"	"CHO"	16	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.218773006106	271.22677127606	-2.67123481450825	2.67	271	270.92319602842	0.076803971580091	2	0.1875	1.875	-1	20.7861149864538	19	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+365.143711940654	34459265.8331405	406.338450959632	"C15H24O10"	"O10"	"CHO"	15	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	364.136435488494	365.14422344076	-1.40469356037601	1.4	365	364.735989209859	0.264010790141356	4	0.666666666666667	1.6	-6	28.0105343837385	25	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+301.164219730989	40231292.2925806	454.113155662566	"C15H24O6"	"O6"	"CHO"	15	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.156943278829	301.16456495156	-1.15013355101334	1.15	301	300.827937072761	0.172062927238812	4	0.4	1.6	-2	23.0890221922615	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+415.231729	52797386.7866564	732.4912798	"C21H34O8"	"O8"	"CHO"	21	34	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.22445254784	415.23264451516	-2.21019100734898	2.21	415	414.768077541891	0.231922458109352	5	0.380952380952381	1.61904761904762	-3	31.863489851	29	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+415.232862859968	105849829.691487	632.541304240809	"C21H34O8"	"O8"	"CHO"	21	34	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.225586407808	415.23264451516	0.527115695300077	0.53	415	414.76921013578	0.230789864219503	5	0.380952380952381	1.61904761904762	-3	31.863489851	29	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+415.268063979938	115019884.272242	719.9968122108	"C22H38O7"	"O7"	"CHO"	22	38	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.260787527778	415.26903002046	-2.33196225918095	2.33	415	414.804371949865	0.19562805013453	4	0.318181818181818	1.72727272727273	-3	31.8662887360231	29	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+367.189663353718	37680629.4840146	822.395667512514	"C23H26O4"	"O4"	"CHO"	23	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.182386901558	367.19038577076	-1.97283394250597	1.97	367	366.779656095297	0.220343904702816	11	0.173913043478261	1.1304347826087	7	28.1679314860462	27	1	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+381.174975139903	72508119.5500422	454.535353898596	"C16H28O10"	"O10"	"CHO"	16	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.167698687743	381.17552356836	-1.44259614601445	1.44	381	380.749351757403	0.250648242597265	3	0.625	1.75	-7	29.2437113166308	26	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+381.175971421112	110189528.203936	263.908422538507	"C16H28O10"	"O10"	"CHO"	16	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.168694968952	381.17552356836	1.17803690309422	1.18	381	380.750346926155	0.24965307384474	3	0.625	1.75	-7	29.2437113166308	26	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+275.127165415726	56224339.934727	527.1060224	"C16H18O4"	"O4"	"CHO"	16	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.119888963566	275.12778551556	-2.26214827517147	2.26	275	274.819955964951	0.18004403504915	8	0.25	1.125	4	21.0861930048769	20	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+367.210434036536	126337307.311018	642.044223082592	"C20H30O6"	"O6"	"CHO"	20	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.203157584376	367.21151514296	-2.95220399283713	2.95	367	366.800403585385	0.199596414614803	6	0.3	1.5	0	28.1695568223692	26	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+369.080570529955	100573690.941214	349.516992272572	"C16H16O10"	"O10"	"CHO"	16	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.073294077795	369.08162318556	-2.85990758332166	2.86	369	368.668451867689	0.331548132311354	9	0.625	1	-1	28.3134112871846	26	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+369.081520498199	78231118.4735492	272.577506155769	"C16H16O10"	"O10"	"CHO"	16	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.074244046039	369.08162318556	-0.278985456478217	0.28	369	368.66940077519	0.330599224810442	9	0.625	1	-1	28.3134112871846	26	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+277.106569324075	125729706.646371	385.925499370852	"C15H16O5"	"O5"	"CHO"	15	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.099292871915	277.10705007406	-1.74122135555312	1.74	277	276.797149653213	0.202850346787386	8	0.333333333333333	1.06666666666667	3	21.2384441247615	20	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+369.169078012127	40978122.9694206	670.857667536735	"C22H24O5"	"O5"	"CHO"	22	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.161801559967	369.16965032926	-1.5545261093543	1.55	369	368.756860521615	0.243139478384705	11	0.227272727272727	1.09090909090909	6	28.3201826059308	27	1	46	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+369.174784632822	25366956.4332936	344.612280233247	"C15H28O10"	"O10"	"CHO"	15	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.167508180662	369.17552356836	-2.00706341951824	2.01	369	368.762560770247	0.237439229753306	2	0.666666666666667	1.86666666666667	-8	28.3206343935538	25	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+369.190017637275	159255787.240375	557.286159347641	"C19H28O7"	"O7"	"CHO"	19	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.182741185115	369.19077970146	-2.0697987703868	2.07	369	368.777776765391	0.222223234609203	6	0.368421052631579	1.47368421052632	-1	28.3218079422538	26	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+369.2261934	358016339.728053	649.150666453537	"C20H32O6"	"O6"	"CHO"	20	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.21891694784	369.22716520676	-2.63920921838364	2.64	369	368.813912133936	0.186087866064042	5	0.3	1.6	-1	28.3246068272769	26	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+425.179504475429	196163697.761911	632.520617319769	"C21H28O9"	"O9"	"CHO"	21	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	424.172228023269	425.18060894606	-2.60382589435143	2.6	425	424.704745242354	0.295254757645523	8	0.428571428571429	1.33333333333333	-1	32.6287178841462	30	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+425.238330358159	26463899.0512268	360.171596790792	"C19H36O10"	"O10"	"CHO"	19	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	424.231053905999	425.23812382356	0.486844603059823	0.49	425	424.763505439578	0.236494560421704	2	0.526315789473684	1.89473684210526	-8	32.6331421054923	29	0.9	40	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+371.169340165239	20154749.1667475	625.9421674	"C18H26O8"	"O8"	"CHO"	18	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.162063713079	371.17004425996	-1.90212555521263	1.9	371	370.754889164138	0.245110835862363	6	0.444444444444444	1.44444444444444	-2	28.4740590621385	26	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.169348485716	174704884.455585	501.530254761226	"C15H24O5"	"O5"	"CHO"	15	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.162072033556	285.16965032926	-1.06222319474163	1.06	285	284.850925843612	0.149074156387769	4	0.333333333333333	1.6	-1	21.8586441443923	20	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.169350115764	321385742.61937	682.028753396412	"C15H24O5"	"O5"	"CHO"	15	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.162073663604	285.16965032926	-1.05648685657095	1.06	285	284.85092747184	0.149072528159877	4	0.333333333333333	1.6	-1	21.8586441443923	20	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+373.1491438	218451883.217759	345.041589856661	"C17H24O9"	"O9"	"CHO"	17	24	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.14186734784	373.14930881846	-0.443428902991553	0.44	373	372.732482132473	0.267517867526692	6	0.529411764705882	1.41176470588235	-3	28.6263101820231	26	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+279.101170038209	316797607.878269	1290.44975557328	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093893586049	279.10157076566	-1.44097896515126	1.44	279	278.78952317837	0.210476821629697	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+373.257503	298388466.739265	708.797984063577	"C20H36O6"	"O6"	"CHO"	20	36	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.25022654784	373.25846533436	-2.58518139510992	2.59	373	372.840720337623	0.159279662377457	3	0.3	1.8	-3	28.6347068370923	26	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+373.272987109714	34833788.7601509	721.783204640829	"C24H36O3"	"O3"	"CHO"	24	36	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.265710657554	373.27372146746	-1.9726709308197	1.97	373	372.856187157641	0.14381284235867	7	0.125	1.5	4	28.6358803857923	27	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305.159762683678	70158288.2695941	481.562211027496	"C14H24O7"	"O7"	"CHO"	14	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.152486231518	305.15947957386	0.93081539970299	0.93	305	304.819018566495	0.180981433505224	3	0.5	1.71428571428571	-4	23.3963233170538	21	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+373.273953413712	40254237.4729523	638.33986456304	"C24H36O3"	"O3"	"CHO"	24	36	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.266676961552	373.27372146746	0.62306477152937	0.62	373	372.857152382656	0.142847617344387	7	0.125	1.5	4	28.6358803857923	27	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+431.190611176672	59228223.6524961	383.319783016533	"C20H30O10"	"O10"	"CHO"	20	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.183334724512	431.19117363216	-1.30747856232739	1.31	431	430.709139888154	0.290860111845859	6	0.5	1.5	-4	33.0910690138462	30	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+287.185161414748	393795305.099982	652.805244441464	"C15H26O5"	"O5"	"CHO"	15	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.177884962588	287.18530039306	-0.485636100172797	0.49	287	286.864487897919	0.135512102080781	3	0.333333333333333	1.73333333333333	-2	22.0136941493	20	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+307.116988586635	102314003.180283	567.094585607783	"C16H18O6"	"O6"	"CHO"	16	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.109712134475	307.11761476016	-2.04558529241078	2.05	307	306.774059013523	0.225940986476587	8	0.375	1.125	2	23.5469491006154	22	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+307.153103814296	85384653.3721039	483.872075127414	"C17H22O5"	"O5"	"CHO"	17	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.145827362136	307.15400026546	-2.92818351219845	2.93	307	306.810133914599	0.189866085401377	7	0.294117647058824	1.29411764705882	2	23.5497479856385	22	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+315.195056096973	363244779.88963	248.782956595822	"C20H26O3"	"O3"	"CHO"	20	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.187779644813	315.19547114846	-1.32103001412492	1.32	315	314.843106481513	0.156893518486697	8	0.15	1.3	5	24.1683226689462	23	1	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+391.195877648394	113403084.305227	569.609680080601	"C18H30O9"	"O9"	"CHO"	18	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.188601196234	391.19625900986	-0.977377260197686	0.98	391	390.75906483663	0.240935163369841	4	0.5	1.66666666666667	-5	30.0145371198231	27	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+467.264991468883	52212079.6203627	535.700400405852	"C25H38O8"	"O8"	"CHO"	25	38	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	466.257715016723	467.26394464276	2.24516633030752	2.25	467	466.743239205057	0.256760794942693	7	0.32	1.52	-1	35.8658975531231	33	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+377.180165241516	23883309.148996	611.04110847789	"C17H28O9"	"O9"	"CHO"	17	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.172888789356	377.18060894606	-1.17952291932166	1.18	377	376.759002499436	0.240997500563708	4	0.529411764705882	1.64705882352941	-5	28.9364101918385	26	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.081440849647	114425667.311645	268.28122230223	"C11H16O10"	"O10"	"CHO"	11	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.074164397487	309.08162318556	-0.591857202152507	0.59	309	308.736317751589	0.263682248411044	4	0.909090909090909	1.45454545454545	-6	23.6980266718	21	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+281.13761021831	109328859.866797	498.056645349472	"C15H20O5"	"O5"	"CHO"	15	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.13033376615	281.13835020166	-2.64156808744398	2.64	281	280.823689451173	0.176310548826507	6	0.333333333333333	1.33333333333333	1	21.5485441345769	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+281.137610738539	31163477.4746447	562.742918830601	"C15H20O5"	"O5"	"CHO"	15	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.130334286379	281.13835020166	-2.63971098613333	2.64	281	280.823689970822	0.176310029178353	6	0.333333333333333	1.33333333333333	1	21.5485441345769	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+281.138243293062	164382441.487488	553.410560697081	"C15H20O5"	"O5"	"CHO"	15	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.130966840902	281.13835020166	-0.381637914647798	0.38	281	280.824321819029	0.175678180971431	6	0.333333333333333	1.33333333333333	1	21.5485441345769	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+379.195440331224	67338762.2016111	576.185730623586	"C17H30O9"	"O9"	"CHO"	17	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	378.188163879064	379.19625900986	-2.16473891619747	2.16	379	378.772027314975	0.227972685024554	3	0.529411764705882	1.76470588235294	-6	29.0914601967462	26	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+281.211001381458	83060413.1933036	568.425162618952	"C17H28O3"	"O3"	"CHO"	17	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.203724929298	281.21112121226	-0.427655992061161	0.43	281	280.896998665093	0.103001334906935	4	0.176470588235294	1.64705882352941	1	21.5541419046231	20	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+379.24796087979	48142802.3928772	498.800328480548	"C22H34O5"	"O5"	"CHO"	22	34	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	378.24068442763	379.24790064826	0.15924127812844	0.16	379	378.824489218628	0.175510781372282	6	0.227272727272727	1.54545454545455	1	29.0954326304692	27	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.205434	465056915.098358	639.081627470244	"C18H28O4"	"O4"	"CHO"	18	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.19815754784	309.20603583456	-1.95275197217666	1.95	309	308.860172450083	0.139827549917413	5	0.222222222222222	1.55555555555556	1	23.7075968755692	22	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+381.117061017739	45025441.1768761	454.156310850182	"C18H20O9"	"O9"	"CHO"	18	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.109784565579	381.11800869086	-2.49315634452131	2.49	381	380.691502302665	0.308497697335099	9	0.5	1.11111111111111	0	29.2392870952846	27	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+381.119058609284	102870801.123346	513.83989365742	"C18H20O9"	"O9"	"CHO"	18	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.111782157124	381.11800869086	2.76213070290003	2.76	381	380.693497663681	0.306502336318601	9	0.5	1.11111111111111	0	29.2392870952846	27	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+293.174502356609	79725228.4832404	564.789563194678	"C17H24O4"	"O4"	"CHO"	17	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.167225904449	293.17473570696	-0.798687636025351	0.8	293	292.847141088178	0.152858911821681	6	0.235294117647059	1.41176470588235	2	22.4744199426769	21	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+399.091022150712	120794574.511169	360.489096360729	"C17H18O11"	"O11"	"CHO"	17	18	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.083745698552	399.09218787166	-2.92833093687196	2.93	399	398.645393550065	0.35460644993509	9	0.647058823529412	1.05882352941176	-2	30.6219162630385	28	0.9	36	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+445.279071745936	85935594.4512671	438.506395746307	"C23H40O8"	"O8"	"CHO"	23	40	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.271795293776	445.27959470656	-1.17711866829922	1.18	445	444.781869156486	0.218130843513961	4	0.347826086956522	1.73913043478261	-4	34.1747937118769	31	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+295.029615170202	37270164.0739961	254.800589621744	"C9H10O11"	"O11"	"CHO"	9	10	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.022338718042	295.02958761646	0.0937130904729096	0.09	295	294.700182466231	0.299817533769158	5	1.22222222222222	1.11111111111111	-6	22.6171008587923	20	0.9	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+381.226910847092	54385115.0168731	549.23542700163	"C21H32O6"	"O6"	"CHO"	21	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.219634394932	381.22716520676	-0.66898088633578	0.67	381	380.801229472717	0.198770527282932	6	0.285714285714286	1.52380952380952	0	29.2476837503538	27	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+283.190034825775	31380364.430806	791.753398784746	"C16H26O4"	"O4"	"CHO"	16	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.182758373615	283.19038577076	-1.24367975915933	1.24	283	282.873822302986	0.126177697013702	4	0.25	1.625	0	21.7063930245077	20	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+283.226488366256	23191839.8649863	694.314937771944	"C17H30O3"	"O3"	"CHO"	17	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.219211914096	283.22677127606	-1.00244700598169	1	283	282.910235139118	0.0897648608817008	3	0.176470588235294	1.76470588235294	0	21.7091919095308	20	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+283.262312527003	64232974.0060399	886.798229822944	"C18H34O2"	"O2"	"CHO"	18	34	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.255036074843	283.26315678136	-2.99110467161851	2.99	283	282.946019298287	0.0539807017125895	2	0.111111111111111	1.88888888888889	0	21.7119907945538	20	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+401.106755309701	33025186.7375131	247.9627296	"C17H20O11"	"O11"	"CHO"	17	20	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.099478857541	401.10783793546	-2.7058914500525	2.71	401	400.658875923401	0.341124076599101	8	0.647058823529412	1.17647058823529	-3	30.7769662679462	28	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.220928810787	122098805.360303	653.406173425793	"C18H30O4"	"O4"	"CHO"	18	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.213652358627	311.22168589836	-2.44053595719021	2.44	311	310.873416741358	0.126583258641801	4	0.222222222222222	1.66666666666667	0	23.8626468804769	22	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.133163013579	81540220.6851706	393.806020185072	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125886561419	285.13326482396	-0.358328423514073	0.36	285	284.814780776497	0.185219223503282	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.133163602482	179664754.461159	445.618057634032	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125887150322	285.13326482396	-0.356255739433519	0.36	285	284.814781364742	0.185218635257911	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+385.257944489233	109564114.644101	667.9186397	"C21H36O6"	"O6"	"CHO"	21	36	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.250668037073	385.25846533436	-1.35548268434155	1.36	385	384.827762026682	0.172237973318261	4	0.285714285714286	1.71428571428571	-2	29.5577837601692	27	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+345.226539852126	543746299.289386	333.616356909498	"C18H32O6"	"O6"	"CHO"	18	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.219263399966	345.22716520676	-1.81673340364347	1.82	345	344.841056813616	0.15894318638351	3	0.333333333333333	1.77777777777778	-3	26.4784529811231	24	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+491.19062426219	106746438.674237	403.437874733874	"C25H30O10"	"O10"	"CHO"	25	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.18334781003	491.19117363216	-1.12074384510482	1.12	491	490.642156423046	0.357843576954338	11	0.4	1.2	1	37.7064536292308	35	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+427.122512631448	58557563.408792	380.113689434319	"C19H22O11"	"O11"	"CHO"	19	22	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.115236179288	427.12348799926	-2.28897661750039	2.29	427	426.645583818108	0.354416181891565	9	0.578947368421053	1.15789473684211	-2	32.7781701190077	30	0.9	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.205541309425	305671276.771356	675.442303191509	"C16H28O4"	"O4"	"CHO"	16	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.198264857265	285.20603583456	-1.74007091589171	1.74	285	284.887078254091	0.112921745909091	3	0.25	1.75	-1	21.8614430294154	20	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.242386384294	63678411.6553312	749.111262209133	"C17H32O3"	"O3"	"CHO"	17	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.235109932134	285.24242133986	-0.122981168610347	0.12	285	284.92388218742	0.0761178125798097	2	0.176470588235294	1.88235294117647	-1	21.8642419144385	20	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+285.257255501603	31347248.0768962	757.46792186761	"C21H32"	""	"CH"	21	32	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.249979049443	285.25767747296	-1.48450796150622	1.48	285	284.93873470174	0.0612652982600252	6	0	1.52380952380952	6	21.8654154631385	21	1	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+287.1061535	296657495.913035	205.01103129315	"C20H14O2"	"O2"	"CHO"	20	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.09887704784	287.10665614336	-1.7568868678561	1.76	287	286.785568204115	0.214431795885332	14	0.1	0.7	12	22.0076445916308	22	1	42	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+287.148591001445	20965113.683447	281.380250751588	"C14H22O6"	"O6"	"CHO"	14	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.141314549285	287.14891488776	-1.13191034810623	1.13	287	286.827958319466	0.172041680533539	4	0.428571428571429	1.57142857142857	-2	22.0108952642769	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+315.128240252109	168810994.63856	218.386199543202	"C11H22O10"	"O10"	"CHO"	11	22	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.120963799949	315.12857337696	-1.06049862760173	1.06	315	314.776365243819	0.223634756181468	1	0.909090909090909	2	-9	24.1631766865231	21	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+389.216173	61030832.6324344	632.124081379042	"C19H32O8"	"O8"	"CHO"	19	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.20889654784	389.21699445136	-2.1160034385431	2.12	389	388.781570744132	0.218429255867534	4	0.421052631578947	1.68421052631579	-4	29.8622859999385	27	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.16402905807	33373472.0155047	548.587070877256	"C17H24O6"	"O6"	"CHO"	17	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.15675260591	325.16456495156	-1.653192431402	1.65	325	324.800947998343	0.199052001656696	6	0.352941176470588	1.41176470588235	0	24.9351760384154	23	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+287.200184358761	92542698.4865638	645.449181776633	"C19H26O2"	"O2"	"CHO"	19	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.192907906601	287.20055652616	-1.300407482745	1.3	287	286.879494067179	0.120505932821231	7	0.105263157894737	1.36842105263158	5	22.014867698	21	1	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+389.267699617064	72555454.7573709	755.576135852524	"C24H36O4"	"O4"	"CHO"	24	36	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.260423164904	389.26863608976	-2.41197052312261	2.41	389	388.833039826116	0.16696017388449	7	0.166666666666667	1.5	3	29.8662584336615	28	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+411.149591256616	295862489.021964	428.377022754123	"C16H26O12"	"O12"	"CHO"	16	26	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	410.142314804456	411.14970274916	-0.27183867633433	0.27	411	410.690497949979	0.309502050020967	4	0.75	1.625	-8	31.5494174074615	28	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+411.16413823938	161892334.207188	438.659959645224	"C20H26O9"	"O9"	"CHO"	20	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	410.15686178722	411.16495888226	-2.00080251351875	2	411	410.705028689452	0.294971310547851	8	0.45	1.3	-1	31.5505909561615	29	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+413.122241240834	295430180.706734	205.919888217854	"C22H20O8"	"O8"	"CHO"	22	20	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.114964788674	413.12309406856	-2.06939276388192	2.07	413	412.660945255602	0.339054744398197	13	0.363636363636364	0.909090909090909	5	31.7012167397231	30	0.9	46	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+391.263373288753	85321046.7634184	487.995891799603	"C27H34O2"	"O2"	"CHO"	27	34	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.256096836593	391.26315678136	0.554782858533661	0.55	391	390.826485110754	0.173514889245837	11	0.0740740740740741	1.25925925925926	9	30.0196831022462	29	1	56	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+289.200647189796	23185855.4085612	656.800861814502	"C15H28O5"	"O5"	"CHO"	15	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.193370737636	289.20095045686	-1.05230409437238	1.05	289	288.877723163545	0.122276836454716	2	0.333333333333333	1.86666666666667	-3	22.1687441542077	20	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+291.070753885535	87696660.7467185	257.905754605491	"C11H14O9"	"O9"	"CHO"	11	14	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.063477433375	291.07105849946	-1.05016297700489	1.05	291	290.745741681441	0.254258318558925	5	0.818181818181818	1.27272727272727	-4	22.3125986190231	20	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+393.211652681097	31702324.6337249	675.482156964417	"C18H32O9"	"O9"	"CHO"	18	32	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	392.204376228937	393.21190907366	-0.653721831014225	0.65	393	392.772589036924	0.227410963076409	3	0.5	1.77777777777778	-6	30.1695871247308	27	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+393.227346974401	142643905.9	598.613502542544	"C22H32O6"	"O6"	"CHO"	22	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	392.220070522241	393.22716520676	0.463432788483798	0.46	393	392.788265805839	0.211734194160556	7	0.272727272727273	1.45454545454545	1	30.1707606734308	28	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+393.262926721809	45716375.2765709	653.837283078889	"C23H36O5"	"O5"	"CHO"	23	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	392.255650269649	393.26355071206	-1.59077441087969	1.59	393	392.823805824584	0.176194175416356	6	0.217391304347826	1.56521739130435	1	30.1735595584538	28	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+397.112746747401	79707863.6820568	464.29681253949	"C18H20O10"	"O10"	"CHO"	18	20	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.105470295241	397.11292331316	-0.445754406889588	0.45	397	396.669327106742	0.330672893257656	9	0.555555555555556	1.11111111111111	-1	30.4696651431538	28	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+397.1424812	132057132.194267	404.076878103199	"C26H20O4"	"O4"	"CHO"	26	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.13520474784	397.14343557936	-2.40922631605917	2.41	397	396.699028357586	0.300971642414027	17	0.153846153846154	0.769230769230769	13	30.4720122405538	30	1	54	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+475.218232576265	214471518.584747	250.541709044962	"C22H34O11"	"O11"	"CHO"	22	34	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	474.210956124105	475.21738838206	1.78020814175438	1.78	475	474.687599652368	0.312400347632149	6	0.5	1.54545454545455	-5	36.4777009176846	33	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+397.18496843142	50777822.205204	574.844171397523	"C20H28O8"	"O8"	"CHO"	20	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.17769197926	397.18569432376	-1.8322393075747	1.83	397	396.741468147384	0.258531852616215	7	0.4	1.4	-1	30.4752629132	28	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+293.160354698608	100186527.57926	323.357755615816	"C13H24O7"	"O7"	"CHO"	13	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.153078246448	293.15947957386	2.99543223456338	3	293	292.833009227579	0.1669907724214	2	0.538461538461538	1.84615384615385	-5	22.4732463939769	20	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+417.174399864334	39307060.671197	354.780846852846	"C19H28O10"	"O10"	"CHO"	19	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	416.167123412174	417.17552356836	-2.70012685460488	2.7	417	416.708579202583	0.291420797417459	6	0.526315789473684	1.47368421052632	-4	32.0129420858615	29	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.055222951434	51502925.6000359	467.286669	"C17H10O6"	"O6"	"CHO"	17	10	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.047946499274	311.05501450496	0.672303998006238	0.67	311	310.707895910648	0.292104089351824	13	0.352941176470588	0.588235294117647	7	23.8498260040615	23	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+399.1637843	129278756.702755	418.869196353694	"C19H26O9"	"O9"	"CHO"	19	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.15650784784	399.16495888226	-2.95005164257337	2.95	399	398.718074452487	0.281925547513026	7	0.473684210526316	1.36842105263158	-2	30.6275140330846	28	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.143971383947	128211811.762306	417.593907069203	"C14H22O7"	"O7"	"CHO"	14	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.136694931787	303.14382951006	0.469568540937938	0.47	303	302.805478117337	0.194521882662741	4	0.5	1.57142857142857	-3	23.2412733121462	21	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+295.081303597845	24998681.9485614	329.360222259527	"C14H14O7"	"O7"	"CHO"	14	14	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.074027145685	295.08122925486	0.252803641879144	0.25	295	294.751813178114	0.248186821886236	8	0.5	1	1	22.6210732925154	21	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+399.23870792897	68880009.41	602.320624961962	"C21H34O7"	"O7"	"CHO"	21	34	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.23143147681	399.23772989286	2.4559490604679	2.46	399	398.792914421064	0.207085578936471	5	0.333333333333333	1.61904761904762	-2	30.6331118031308	28	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+321.133270127935	133549548.968376	600.7851595	"C17H20O6"	"O6"	"CHO"	17	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.125993675775	321.13326482396	0.0165683984000277	0.02	321	320.774689849639	0.225310150361224	8	0.352941176470588	1.17647058823529	2	24.6250760286	23	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+401.091663257922	32281531.2012814	267.48553541679	"C13H20O14"	"O14"	"CHO"	13	20	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.084386805762	401.09258180236	-2.29587674068748	2.3	401	400.643800723542	0.356199276458256	4	1.07692307692308	1.53846153846154	-10	30.7757927192462	27	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.180098845011	36986486.6809481	676.409492826024	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172822392851	303.18021501536	-0.384450024506947	0.38	303	302.841565238155	0.158434761844546	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+321.205872765715	129765991.223512	635.935530285942	"C19H28O4"	"O4"	"CHO"	19	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.198596313555	321.20603583456	-0.509274078215951	0.51	321	320.847211418665	0.15278858133513	6	0.210526315789474	1.47368421052632	2	24.6306737986462	23	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.096777873609	80943151.9241955	401.423138306218	"C14H16O7"	"O7"	"CHO"	14	16	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.089501421449	297.09687931866	-0.342616170062967	0.34	297	296.765036957296	0.234963042703953	7	0.5	1.14285714285714	0	22.7761232974231	21	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.132515867684	104306280.425858	537.373103129197	"C15H20O6"	"O6"	"CHO"	15	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.125239415524	297.13326482396	-2.5291875745048	2.53	297	296.800735046008	0.19926495399244	6	0.4	1.33333333333333	0	22.7789221824462	21	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+489.233159021977	185666090.711719	259.83519995575	"C23H36O11"	"O11"	"CHO"	23	36	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	488.225882569817	489.23303844586	0.24696789194788	0.25	489	488.686876906007	0.313123093992999	6	0.478260869565217	1.56521739130435	-5	37.5558278456692	34	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+405.117552796063	42756655.5368534	214.618412354007	"C20H20O9"	"O9"	"CHO"	20	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.110276343903	405.11800869086	-1.12814452801321	1.13	405	404.665194917459	0.334805082541152	11	0.45	1	2	31.0854409414385	29	0.9	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+425.28893742047	114158475.339527	734.716075542769	"C24H40O6"	"O6"	"CHO"	24	40	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	424.28166096831	425.28976546196	-1.95163158392081	1.95	425	424.814055993591	0.18594400640859	5	0.25	1.66666666666667	-1	32.6371145392154	30	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+345.2626947225	99714586.9799142	493.411436871986	"C19H36O5"	"O5"	"CHO"	19	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.25541827034	345.26355071206	-2.48649553365583	2.49	345	344.877171313139	0.122828686860771	2	0.263157894736842	1.89473684210526	-3	26.4812518661461	24	0.9	40	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.070417593142	52303812.5565681	520.893027979179	"C18H12O6"	"O6"	"CHO"	18	12	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.063141140982	325.07066456876	-0.762121903509029	0.76	325	324.707441060813	0.292558939186733	13	0.333333333333333	0.666666666666667	7	24.9279529320462	24	1	38	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.2053828	36637715.1847931	572.885987090564	"C17H28O4"	"O4"	"CHO"	17	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.19810634784	297.20603583456	-2.20472226529282	2.2	297	296.873520614456	0.12647938554403	4	0.235294117647059	1.64705882352941	0	22.7845199524923	21	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+491.28413541346	52518307.9459649	756.175605110329	"C24H42O10"	"O10"	"CHO"	24	42	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.2768589613	491.28507401496	-1.91443157638775	1.91	491	490.735563158929	0.264436841071301	4	0.416666666666667	1.75	-6	37.7136767356	34	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.127838551333	39140023.15	560.894655251	"C16H20O7"	"O7"	"CHO"	16	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.120562099173	325.12817944626	-1.05175347336959	1.05	325	324.764797902249	0.235202097750573	7	0.4375	1.25	0	24.9323771533923	23	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297.241828590001	34860468.0935844	772.828048667988	"C18H32O3"	"O3"	"CHO"	18	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.234552137841	297.24242133986	-2.00094774462861	2	297	296.909925708762	0.0900742912377837	3	0.166666666666667	1.77777777777778	0	22.7873188375154	21	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+407.278428098675	87722805.3509705	717.61612	"C24H38O5"	"O5"	"CHO"	24	38	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	406.271151646515	407.27920077586	-1.9018755868422	1.9	407	406.823657367404	0.176342632596402	6	0.208333333333333	1.58333333333333	1	31.2516864864385	29	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.054534912891	67061003.125998	209.858113373602	"C16H10O6"	"O6"	"CHO"	16	10	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.047258460731	299.05501450496	-1.60911417712112	1.61	299	298.720607947578	0.279392052421883	12	0.375	0.625	6	22.9267490809846	22	1	34	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+337.200762223553	53921600.1095905	709.006795269296	"C19H28O5"	"O5"	"CHO"	19	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	336.193485771393	337.20095045686	-0.559895759252138	0.56	337	336.824240840043	0.175759159957465	6	0.263157894736842	1.47368421052632	1	25.8610518465154	24	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+409.206584131861	282085286.177095	265.155366805492	"C18H32O10"	"O10"	"CHO"	18	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	408.199307679701	409.20682369596	-0.586880218763778	0.59	409	408.749660404338	0.25033959566241	3	0.555555555555556	1.77777777777778	-7	31.3999651726	28	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+497.238159226791	121944899.124135	499.248413991038	"C25H36O10"	"O10"	"CHO"	25	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	496.230882774631	497.23812382356	0.0713442720397286	0.07	497	496.682938656079	0.317061343920955	8	0.4	1.44	-2	38.1716036439538	35	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+431.226661791359	170770239.526967	607.215329482923	"C21H34O9"	"O9"	"CHO"	21	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.219385339199	431.22755913746	-2.08578723223078	2.09	431	430.745150248403	0.254849751597305	5	0.428571428571429	1.61904761904762	-4	33.0938678988692	30	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+431.242285326547	92134647.5002411	707.153027088538	"C25H34O6"	"O6"	"CHO"	25	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.235008874387	431.24281527056	-1.23175474352189	1.23	431	430.760756338212	0.239243661788237	9	0.24	1.36	3	33.0950414475692	31	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+467.228397204067	80527655.0799489	471.278114970534	"C24H34O9"	"O9"	"CHO"	24	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	466.221120751907	467.22755913746	1.79757323231274	1.8	467	466.706685801724	0.293314198275652	8	0.375	1.41666666666667	-1	35.8630986681	33	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.200326326982	130357263.542666	518.212884138406	"C20H26O2"	"O2"	"CHO"	20	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.193049874822	299.20055652616	-0.771980360094458	0.77	299	298.866236569674	0.133763430326269	8	0.1	1.3	6	22.9379446210769	22	1	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.221164214979	50879869.824623	731.435916128656	"C17H30O4"	"O4"	"CHO"	17	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.213887762819	299.22168589836	-1.7493597795406	1.75	299	298.887051189899	0.112948810101159	3	0.235294117647059	1.76470588235294	-1	22.9395699574	21	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+413.215785206654	329551715.641174	637.947672232366	"C21H32O8"	"O8"	"CHO"	21	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.208508754494	413.21699445136	-2.93357531518143	2.93	413	412.754384769394	0.245615230606063	6	0.380952380952381	1.52380952380952	-2	31.7084398460923	29	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.13248723431	27675145.2276471	743.938601769665	"C16H20O6"	"O6"	"CHO"	16	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.12521078215	309.13326482396	-2.5236157989976	2.52	309	308.787307137403	0.21269286259718	7	0.375	1.25	1	23.7019991055231	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299.257285665211	35377727.49	864.68102850263	"C18H34O3"	"O3"	"CHO"	18	34	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.250009213051	299.25807140366	-2.6344959756074	2.63	299	298.923132306597	0.0768676934031873	2	0.166666666666667	1.88888888888889	-1	22.9423688424231	21	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+301.121442344937	400313434.523857	394.004677505836	"C21H16O2"	"O2"	"CHO"	21	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.114165892777	301.12230620716	-2.87844534243794	2.88	301	300.785207452321	0.214792547679338	14	0.0952380952380952	0.761904761904762	12	23.0857715196154	23	1	44	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+301.16421973064	91523966.6007637	458.510528304986	"C15H24O6"	"O6"	"CHO"	15	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.15694327848	301.16456495156	-1.15013471361229	1.15	301	300.827937072413	0.172062927587376	4	0.4	1.6	-2	23.0890221922615	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+415.21129229281	49704448.0813075	731.609559529676	"C24H30O6"	"O6"	"CHO"	24	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.20401584065	415.21151514296	-0.538020254481607	0.54	415	414.74766365451	0.252336345489539	10	0.25	1.25	4	31.8618645146769	30	0.9	50	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.1689568	99203324.9754369	633.480345511802	"C17H24O5"	"O5"	"CHO"	17	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.16168034784	309.16965032926	-2.25053698827099	2.25	309	308.82373598085	0.17626401915004	6	0.294117647058824	1.41176470588235	1	23.7047979905462	22	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+441.21062319516	30508586.7298682	617.724348045431	"C22H32O9"	"O9"	"CHO"	22	32	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	440.203346743	441.21190907366	-2.92110114447056	2.92	441	440.717963471708	0.282036528292338	7	0.409090909090909	1.45454545454545	-2	33.8618948170385	31	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+381.117060230323	150323967.370676	377.447118882946	"C18H20O9"	"O9"	"CHO"	18	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.109783778163	381.11800869086	-2.4952278986092	2.5	381	380.691501516128	0.308498483871858	9	0.5	1.11111111111111	0	29.2392870952846	27	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+445.205951584873	145863853.52124	506.792449620506	"C21H32O10"	"O10"	"CHO"	21	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.198675132713	445.20682369596	-1.96333563296878	1.96	445	444.708830642048	0.291169357951901	6	0.476190476190476	1.52380952380952	-4	34.1691959418308	31	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+397.22215052784	26521127.6835277	727.0764127	"C21H32O7"	"O7"	"CHO"	21	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.21487407568	397.22207982906	0.178435451652685	0.18	397	396.778608725943	0.221391274057282	6	0.333333333333333	1.52380952380952	-1	30.4780617982231	28	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.127382731777	20427481.78	715.1092012	"C19H18O4"	"O4"	"CHO"	19	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.120106279617	311.12778551556	-1.29879931946404	1.3	311	310.779975116736	0.220024883264216	11	0.210526315789474	0.947368421052632	7	23.8554237741077	23	1	40	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+479.226166444781	23818979.6922602	495.925430246591	"C25H34O9"	"O9"	"CHO"	25	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	478.218889992621	479.22755913746	-2.91224940746398	2.91	479	478.691058226121	0.308941773878985	9	0.36	1.36	0	36.7861755911769	34	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329.231874242463	62610833.1319755	658.436694891021	"C18H32O5"	"O5"	"CHO"	18	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.224597790303	329.23225058446	-1.14659900416457	1.15	329	328.864250990463	0.135749009537051	3	0.277777777777778	1.77777777777778	-2	25.2480749332538	23	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.179389287395	36944895.7384413	551.138931683107	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172112835235	303.18021501536	-2.73264119985139	2.73	303	302.840856472838	0.159143527162144	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.179389862018	78018126.82	613.048463560259	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172113409858	303.18021501536	-2.73073955320508	2.73	303	302.840857046819	0.159142953180776	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.180097112132	49222753.8908378	484.099142999156	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172820659972	303.18021501536	-0.390184754970252	0.39	303	302.841563507211	0.15843649278861	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+345.153384582158	85663254.4653719	397.994917483733	"C16H24O8"	"O8"	"CHO"	16	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.146108129998	345.15439419616	-2.93367839454246	2.93	345	344.767983229476	0.232016770523501	5	0.5	1.5	-3	26.4728552110769	24	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.194973778509	74130279.32	505.533194437293	"C19H26O3"	"O3"	"CHO"	19	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.187697326349	303.19547114846	-1.64589741874529	1.65	303	302.85642356217	0.143576437830177	7	0.157894736842105	1.36842105263158	4	23.2452457458692	22	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+303.194974339572	89400441.1507177	533.208231945534	"C19H26O3"	"O3"	"CHO"	19	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.187697887412	303.19547114846	-1.64404074507644	1.64	303	302.856424122606	0.14357587739363	7	0.157894736842105	1.36842105263158	4	23.2452457458692	22	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+425.144207730325	30923947.1620254	251.658211086302	"C20H24O10"	"O10"	"CHO"	20	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	424.136931278165	425.14422344076	-0.0370409504051179	0.04	425	424.669487909911	0.330512090088632	9	0.5	1.2	-1	32.6259189991231	30	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.221665	188523264.568547	603.095722911071	"C18H30O4"	"O4"	"CHO"	18	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.21438854784	311.22168589836	-0.0673674747637897	0.07	311	310.874152108536	0.125847891464218	4	0.222222222222222	1.66666666666667	0	23.8626468804769	22	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+455.1553356912	63235729.7170566	412.542057431017	"C21H26O11"	"O11"	"CHO"	21	26	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	454.14805923904	455.15478812686	1.20569565107293	1.21	455	454.647105177198	0.352894822801716	9	0.523809523809524	1.23809523809524	-2	34.9344239749769	32	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+345.206742182997	54930239.7346601	564.930892468579	"C21H28O4"	"O4"	"CHO"	21	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.199465730837	345.20603583456	2.05214855725202	2.05	345	344.821281250742	0.17871874925828	8	0.19047619047619	1.33333333333333	4	26.4768276448	25	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+359.169545232044	44847522.8912832	560.696280710949	"C17H26O8"	"O8"	"CHO"	17	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.162268779884	359.17004425996	-1.39330119184308	1.39	359	358.768493309166	0.231506690833726	5	0.470588235294118	1.52941176470588	-3	27.5509821390615	25	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+457.190978742512	89983028.3644001	475.836241823172	"C18H32O13"	"O13"	"CHO"	18	32	13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	456.183702290352	457.19156756286	-1.29075270554576	1.29	457	456.680475211294	0.31952478870636	3	0.722222222222222	1.77777777777778	-10	35.0910993162077	31	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+371.315242428928	23368995.118415	961.680678309249	"C22H42O4"	"O4"	"CHO"	22	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.307965976768	371.31558628116	-0.92855748075937	0.93	371	370.900628512056	0.0993714879444383	2	0.181818181818182	1.90909090909091	-2	28.4852546022308	26	0.9	46	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+427.231514985323	162142340.697144	619.712805409946	"C22H34O8"	"O8"	"CHO"	22	34	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.224238533163	427.23264451516	-2.65008353567928	2.65	427	426.754464458981	0.245535541018683	6	0.363636363636364	1.54545454545455	-2	32.7865667740769	30	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+427.268252024474	34595153.0938893	641.3649827	"C23H38O7"	"O7"	"CHO"	23	38	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.260975572314	427.26903002046	-1.82516352787356	1.83	427	426.791160477226	0.208839522773758	5	0.304347826086957	1.65217391304348	-2	32.7893656591	30	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+429.117121891048	259227215.371387	285.741841936173	"C22H20O9"	"O9"	"CHO"	22	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	428.109845438888	429.11800869086	-2.07143054862239	2.07	429	428.63796587919	0.362034120809824	13	0.409090909090909	0.909090909090909	4	32.9315947875923	31	0.9	46	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+313.236850917603	143490271.579484	656.565208372698	"C18H32O4"	"O4"	"CHO"	18	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.229574465443	313.23733596216	-1.55348691038548	1.55	313	312.88708785154	0.1129121484596	3	0.222222222222222	1.77777777777778	-1	24.0176968853846	22	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+431.117327296086	113081048.207898	247.49298824642	"C18H22O12"	"O12"	"CHO"	18	22	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.110050843926	431.11840262156	-2.50011705584495	2.5	431	430.635937837004	0.364062162996106	8	0.666666666666667	1.22222222222222	-4	33.0854712438	30	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+461.254260642514	65159554.4889356	701.634794390176	"C26H36O7"	"O7"	"CHO"	26	36	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	460.246984190354	461.25337995666	1.9135070609788	1.91	461	460.739220014426	0.260779985573606	9	0.269230769230769	1.38461538461538	2	35.4035464234231	33	0.9	54	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+315.180039594825	231592693	615.847168660012	"C16H26O6"	"O6"	"CHO"	16	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.172763142665	315.18021501536	-0.558356915487261	0.56	315	314.828106746926	0.171893253074245	4	0.375	1.625	-2	24.1671491202462	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+315.180040217261	322257389.4	679.2704069	"C16H26O6"	"O6"	"CHO"	16	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.172763765101	315.18021501536	-0.556375724167421	0.56	315	314.828107368667	0.171892631333264	4	0.375	1.625	-2	24.1671491202462	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+463.253390047915	89082478.0664024	706.218364790113	"C22H38O10"	"O10"	"CHO"	22	38	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	462.246113595755	463.25377388736	-0.830378955564289	0.83	463	462.736117174074	0.263882825926032	4	0.454545454545455	1.72727272727273	-6	35.5574228796308	32	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+465.249295415341	209692788.969247	643.653286430642	"C25H36O8"	"O8"	"CHO"	25	36	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	464.242018963181	465.24829457896	2.15585048346023	2.16	465	464.729793895736	0.270206104263877	8	0.32	1.44	0	35.7108475482154	33	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+497.273872984588	41631276.8930532	697.231700134634	"C26H40O9"	"O9"	"CHO"	26	40	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	496.266596532428	497.27450932886	-1.28226295388005	1.28	497	496.718612535575	0.281387464424995	7	0.346153846153846	1.53846153846154	-2	38.1744025289769	35	0.9	54	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363.164969124192	81016541.3588408	341.856174	"C16H26O9"	"O9"	"CHO"	16	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.157692672032	363.16495888226	0.0282803106293501	0.03	363	362.759455875303	0.24054412469718	4	0.5625	1.625	-5	27.8582832638538	25	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+317.159563126499	87274320.0453515	414.946979590079	"C15H24O7"	"O7"	"CHO"	15	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.152286674339	317.15947957386	0.264279723834504	0.26	317	316.80541992494	0.194580075059946	4	0.466666666666667	1.6	-3	24.3194002401308	22	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+317.195190050743	64145286.061469	511.290437867449	"C16H28O6"	"O6"	"CHO"	16	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.187913598583	317.19586507916	-2.13489633208909	2.13	317	316.841007067842	0.158992932157844	3	0.375	1.75	-3	24.3221991251538	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+317.195191237082	193951587.867767	645.514885642218	"C16H28O6"	"O6"	"CHO"	16	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.187914784922	317.19586507916	-2.13114431800344	2.13	317	316.841008252856	0.158991747143546	3	0.375	1.75	-3	24.3221991251538	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309.13321481086	163353655.493118	546.400650204313	"C16H20O6"	"O6"	"CHO"	16	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.1259383587	309.13326482396	-0.162313826205215	0.16	309	308.788033901534	0.211966098465666	7	0.375	1.25	1	23.7019991055231	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+341.195163701348	175354285.706344	657.903440729472	"C18H28O6"	"O6"	"CHO"	18	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.187887249188	341.19586507916	-2.0617365822872	2.06	341	340.814182133463	0.185817866536922	5	0.333333333333333	1.55555555555556	-1	26.1683529713077	24	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+437.238162319587	239934364.335943	665.100468516562	"C20H36O10"	"O10"	"CHO"	20	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	436.230885867427	437.23812382356	0.0882469084756837	0.09	437	436.749938281437	0.250061718563359	3	0.5	1.8	-7	33.5562190285692	30	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+441.174557814796	207681525.520783	417.287868938403	"C21H28O10"	"O10"	"CHO"	21	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	440.167281362636	441.17552356836	-2.19406031487968	2.19	441	440.68193836227	0.318061637730409	8	0.476190476190476	1.33333333333333	-2	33.8590959320154	31	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+475.195989091064	44243604.0536408	322.257402666297	"C25H30O9"	"O9"	"CHO"	25	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	474.188712638904	475.19625900986	-0.569222313393415	0.57	475	474.665381004441	0.334618995558856	11	0.36	1.2	2	36.4760755813615	34	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+355.210943064153	284292788.823409	675.512969882082	"C19H30O6"	"O6"	"CHO"	19	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.203666611993	355.21151514296	-1.61511260592733	1.62	355	354.81431135182	0.185688648179564	5	0.315789473684211	1.57894736842105	-1	27.2464798992923	25	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+475.252989006723	338683412.3	555.218476808722	"C23H38O10"	"O10"	"CHO"	23	38	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	474.245712554563	475.25377388736	-1.65500839804245	1.66	475	474.722317273485	0.277682726514911	5	0.434782608695652	1.65217391304348	-5	36.4804998027077	33	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+477.231975614841	175100488.276844	726.686649982369	"C22H36O11"	"O11"	"CHO"	22	36	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	476.224699162681	477.23303844586	-2.23178474533239	2.23	477	476.699094127477	0.300905872522947	5	0.5	1.63636363636364	-6	36.6327509225923	33	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+401.25232657584	136472445.084707	504.278939117413	"C21H36O7"	"O7"	"CHO"	21	36	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.24505012368	401.25337995666	-2.63183971822829	2.63	401	400.804284643364	0.195715356636356	4	0.333333333333333	1.71428571428571	-3	30.7881618080385	28	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+477.283746968883	31042161.8412933	737.16138017306	"C27H40O7"	"O7"	"CHO"	27	40	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	476.276470516723	477.28468008426	-1.95918848559233	1.96	477	476.750807673163	0.249192326837374	8	0.259259259259259	1.48148148148148	1	36.6367233563154	34	0.9	56	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+445.243769673943	154767265.090762	413.50348345992	"C22H36O9"	"O9"	"CHO"	22	36	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.236493221783	445.24320920126	1.2616538523965	1.26	445	444.746606503102	0.253393496897957	5	0.409090909090909	1.63636363636364	-4	34.1719948268538	31	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+479.226167330729	39693650.03	531.184191332583	"C25H34O9"	"O9"	"CHO"	25	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	478.218890878569	479.22755913746	-2.91039680261822	2.91	479	478.69105911108	0.308940888920176	9	0.36	1.36	0	36.7861755911769	34	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+319.226670873914	23861813.0267194	750.800504975661	"C20H30O3"	"O3"	"CHO"	20	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.219394421754	319.22677127606	-0.315512340786237	0.32	319	318.870219521378	0.129780478622422	6	0.15	1.5	3	24.4784226787615	23	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+447.257633825755	23641608.0050208	624.713760102021	"C22H38O9"	"O9"	"CHO"	22	38	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	446.250357373595	447.25885926506	-2.74608027693812	2.75	447	446.758221956211	0.241778043788884	4	0.409090909090909	1.72727272727273	-5	34.3270448317615	31	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+311.16936123622	277067004.611254	577.018252345577	"C13H26O8"	"O8"	"CHO"	13	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.16208478406	311.17004425996	-2.20215098318091	2.2	311	310.821906747606	0.178093252394262	1	0.615384615384615	2	-7	23.8586744467538	21	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+483.296427046532	49960413.4767509	716.3730742	"C26H42O8"	"O8"	"CHO"	26	42	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	482.289150594372	483.29524477036	2.4513845492062	2.45	483	482.756773938522	0.243226061477856	6	0.307692307692308	1.61538461538462	-2	37.0990744860154	34	0.9	54	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+485.258488261711	38837016.6626511	337.722594549089	"C21H40O12"	"O12"	"CHO"	21	40	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	484.251211809551	485.25925319576	-1.57962237442362	1.58	485	484.71664429862	0.283355701379946	2	0.571428571428571	1.9047619047619	-10	37.2501520572	33	0.9	44	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.22731608727	242880441.895195	668.748136523074	"C19H32O6"	"O6"	"CHO"	19	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.22003963511	357.22716520676	0.423559859767758	0.42	357	356.828432874806	0.171567125193633	4	0.315789473684211	1.68421052631579	-2	27.4015299042	25	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+453.175976147158	24301161.6106952	447.145255853045	"C22H28O10"	"O10"	"CHO"	22	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	452.168699694998	453.17552356836	1.00090695873514	1	453	452.669955803706	0.330044196294011	9	0.454545454545455	1.27272727272727	-1	34.7821728550923	32	0.9	46	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+359.055391146165	32443862.6521278	221.217247724691	"C21H10O6"	"O6"	"CHO"	21	10	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.048114694005	359.05501450496	1.05192902719741	1.05	359	358.654466688759	0.345533311240672	17	0.285714285714286	0.476190476190476	11	27.5421336963692	27	1	44	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+359.097394102907	45176710.36	403.277372223719	"C15H18O10"	"O10"	"CHO"	15	18	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.090117650747	359.09727324936	0.337494784261608	0.34	359	358.696422744625	0.303577255375387	7	0.666666666666667	1.2	-3	27.5453843690154	25	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+411.107081787681	138301166.227883	219.444425639606	"C22H18O8"	"O8"	"CHO"	22	18	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	410.099805335521	411.10744400476	-0.883241284863361	0.88	411	410.648035947497	0.351964052503149	14	0.363636363636364	0.818181818181818	6	31.5461667348154	30	1	46	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+333.154467306813	97208043.940461	388.869067138334	"C15H24O8"	"O8"	"CHO"	15	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.147190854653	333.15439419616	0.22011522297952	0.22	333	332.782464052354	0.217535947645558	4	0.533333333333333	1.6	-4	25.549778288	23	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+333.190374703384	155544713.472836	583.322396562975	"C16H28O7"	"O7"	"CHO"	16	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.183098251224	333.19077970146	-1.21920133232763	1.22	333	332.818331354406	0.1816686455943	3	0.4375	1.75	-4	25.5525771730231	23	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+491.247600943179	115920692.314267	392.634507506035	"C23H38O11"	"O11"	"CHO"	23	38	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.240324491019	491.24868850966	-2.21843538086164	2.22	491	490.699069483364	0.300930516636356	5	0.478260869565217	1.65217391304348	-6	37.7108778505769	34	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+459.128073382574	143529259.1	347.303247369843	"C23H22O10"	"O10"	"CHO"	23	22	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	458.120796930414	459.12857337696	-1.09140294287392	1.09	459	458.615406874175	0.384593125824665	13	0.434782608695652	0.956521739130435	3	35.2400997634461	33	0.9	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+313.200401821199	270614228.370818	653.432820075635	"C17H28O5"	"O5"	"CHO"	17	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.193125369039	313.20095045686	-1.75735984032179	1.76	313	312.850679454523	0.14932054547694	4	0.294117647058824	1.64705882352941	-1	24.0148980003615	22	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+459.217860648932	45175181.244148	668.313431835502	"C29H30O5"	"O5"	"CHO"	29	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	458.210584196772	459.21660052066	2.75010729884677	2.75	459	458.70509388327	0.294906116730374	15	0.172413793103448	1.03448275862069	10	35.2468710821923	34	1	60	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+493.206890820874	85305596.5712013	414.205857094437	"C25H32O10"	"O10"	"CHO"	25	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	492.199614368714	493.20682369596	0.136377420914572	0.14	493	492.656171600478	0.343828399522295	10	0.4	1.28	0	37.8615036341385	35	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+347.186159770673	20123496.3352387	916.413537150913	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.178883318513	347.18530039306	2.4824668817021	2.48	347	346.798488603056	0.201511396943999	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+495.294759651395	100361000.933728	547.857144204317	"C27H42O8"	"O8"	"CHO"	27	42	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	494.287483199235	495.29524477036	-0.981451041128317	0.98	495	494.74170909801	0.258290901989596	7	0.296296296296296	1.55555555555556	-1	38.0221514090923	35	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+409.134396236921	73502423.5829436	484.73379299279	"C16H24O12"	"O12"	"CHO"	16	24	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	408.127119784761	409.13405268536	0.841775869342407	0.84	409	408.677553115046	0.322446884954047	5	0.75	1.5	-7	31.3943674025538	28	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+495.330264255328	185861972.792419	453.86473923413	"C28H46O7"	"O7"	"CHO"	28	46	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	494.322987803168	495.33163027566	-2.76341656295205	2.76	495	494.777174057186	0.222825942814495	6	0.25	1.64285714285714	-1	38.0249502941154	35	0.9	58	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+361.23727022846	48628426.4219432	570.916794956121	"C22H32O4"	"O4"	"CHO"	22	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.2299937763	361.23733596216	-0.182477031751223	0.18	361	360.833909465379	0.166090534620992	7	0.181818181818182	1.45454545454545	3	27.7100045776923	26	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+443.1746165	125118805.619925	542.787703082108	"C17H30O13"	"O13"	"CHO"	17	30	13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	442.16734004784	443.17591749906	-2.94232283155927	2.94	443	442.679763764078	0.320236235921982	3	0.764705882352941	1.76470588235294	-10	34.0129723882231	30	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+463.231981430094	59982004.244838	626.611287819273	"C25H34O8"	"O8"	"CHO"	25	34	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	462.224704977934	463.23264451516	-1.43455133162741	1.43	463	462.714732461307	0.28526753869312	9	0.32	1.36	1	35.5557975433077	33	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+465.268149677628	68646429.0655883	729.836184742859	"C22H40O10"	"O10"	"CHO"	22	40	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	464.260873225468	465.26942395116	-2.7447359996614	2.74	465	464.748627105185	0.251372894814608	3	0.454545454545455	1.81818181818182	-7	35.7124728845385	32	0.9	46	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363.201194044798	154969918.301191	552.132759317953	"C17H30O8"	"O8"	"CHO"	17	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.193917592638	363.20134438756	-0.415089140559947	0.42	363	362.795640346839	0.204359653161134	3	0.470588235294118	1.76470588235294	-5	27.8610821488769	25	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+387.165573626116	19994492.969678	671.709005556582	"C18H26O9"	"O9"	"CHO"	18	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.158297173956	387.16495888226	1.59194781138265	1.59	387	386.733261087829	0.26673891217149	6	0.5	1.44444444444444	-3	29.7044371100077	27	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363.216055246917	40896153.9837994	497.096593823017	"C21H30O5"	"O5"	"CHO"	21	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.208778794757	363.21660052066	-1.50541283072955	1.51	363	362.810484954807	0.189515045193218	7	0.238095238095238	1.42857142857143	2	27.8622556975769	26	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+317.195191863789	63924928.5381044	700.6223312	"C16H28O6"	"O6"	"CHO"	16	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.187915411629	317.19586507916	-2.12916224248083	2.13	317	316.841008878864	0.158991121136353	3	0.375	1.75	-3	24.3221991251538	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+471.257628774212	37514986.0694053	709.149627219186	"C24H38O9"	"O9"	"CHO"	24	38	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	470.250352322052	471.25885926506	-2.6166718258175	2.62	471	470.731418295903	0.268581704097414	6	0.375	1.58333333333333	-3	36.1731986779154	33	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+355.103164121187	143984427.74691	518.7081723	"C16H18O9"	"O9"	"CHO"	16	18	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.095887669027	355.10235862706	2.27479096780805	2.27	355	354.706652755785	0.293347244215056	8	0.5625	1.125	-1	27.2380832442231	25	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+475.158462093816	187943279.485802	465.679009252778	"C24H26O10"	"O10"	"CHO"	24	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	474.151185641656	475.15987350456	-2.97671035465098	2.98	475	474.627895910174	0.37210408982645	12	0.416666666666667	1.08333333333333	2	36.4732766963385	34	0.9	50	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+341.2679074	78796986.19	705.902855496979	"C20H36O4"	"O4"	"CHO"	20	36	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.26063094784	341.26863608976	-2.14156353597865	2.14	341	340.886844605851	0.113155394148691	3	0.2	1.8	-1	26.1739507413538	24	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+379.212284879755	230236263.21915	518.279575036733	"C21H30O6"	"O6"	"CHO"	21	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	378.205008427595	379.21151514296	2.03523691595365	2.04	379	378.788853054733	0.211146945266933	7	0.285714285714286	1.42857142857143	1	29.0926337454462	27	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+423.221597268717	210876645.551131	365.589412302709	"C19H34O10"	"O10"	"CHO"	19	34	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	422.214320816557	423.22247375976	-2.07593868740392	2.08	423	422.749024252321	0.250975747679377	3	0.526315789473684	1.78947368421053	-7	32.4780921005846	29	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+385.206195894124	21512821.0065846	359.696166505138	"C16H32O10"	"O10"	"CHO"	16	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.198919441964	385.20682369596	-1.63405414287835	1.63	385	384.776071214516	0.223928785483679	1	0.625	2	-9	29.5538113264462	26	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+487.254182181882	100422444.350062	638.242979451485	"C24H38O10"	"O10"	"CHO"	24	38	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	486.246905729722	487.25377388736	0.839685594277827	0.84	487	486.710109809131	0.289890190868903	6	0.416666666666667	1.58333333333333	-4	37.4035767257846	34	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+343.138415409358	34597475.9716804	331.43965183015	"C16H22O8"	"O8"	"CHO"	16	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.131138957198	343.13874413236	-0.960809948451312	0.96	343	342.755263989256	0.244736010744305	6	0.5	1.375	-2	26.3178052061692	24	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+399.050376036368	23204817.6818334	710.334619753966	"C23H10O7"	"O7"	"CHO"	23	10	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.043099584208	399.04992912726	1.12276562129493	1.12	399	398.604792821535	0.395207178464659	19	0.304347826086957	0.434782608695652	12	30.6186655903923	30	1	48	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+419.350763475007	74449513.4572079	1143.21590497992	"C27H46O3"	"O3"	"CHO"	27	46	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.343487022847	419.35197178646	-2.88832380672387	2.89	419	418.882512666205	0.117487333794884	5	0.111111111111111	1.7037037037037	2	32.1803611795615	30	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+367.210432662759	56626978.6924683	502.229690938331	"C20H30O6"	"O6"	"CHO"	20	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.203156210599	367.21151514296	-2.9559554107508	2.96	367	366.800402213142	0.199597786857851	6	0.3	1.5	0	28.1695568223692	26	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+481.2428022	182508696.061768	553.715133724983	"C25H36O9"	"O9"	"CHO"	25	36	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	480.23552574784	481.24320920126	-0.847503439684491	0.85	481	480.70544218784	0.294557812159951	8	0.36	1.44	-1	36.9412255960846	34	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.169338726745	72037708.1539822	756.996110826962	"C21H24O5"	"O5"	"CHO"	21	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.162062274585	357.16965032926	-0.874889686355702	0.87	357	356.77052025232	0.229479747679932	10	0.238095238095238	1.14285714285714	5	27.3971056828538	26	0.9	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+347.242588877017	160684596.175896	679.869025842429	"C18H34O6"	"O6"	"CHO"	18	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.235312424857	347.24281527056	-0.653871904142043	0.65	347	346.854854700156	0.145145299844273	2	0.333333333333333	1.88888888888889	-4	26.6335029860308	24	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331.174754468635	61406524.5214969	466.664218485144	"C16H26O7"	"O7"	"CHO"	16	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.167478016475	331.17512963766	-1.13629915114426	1.14	331	330.804961779217	0.195038220782521	4	0.4375	1.625	-3	25.3975271681154	23	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331.174755080023	111359286.618181	571.950153290431	"C16H26O7"	"O7"	"CHO"	16	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.167478627863	331.17512963766	-1.13444739799106	1.13	331	330.804962389923	0.195037610077179	4	0.4375	1.625	-3	25.3975271681154	23	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+323.090507435166	180126372.423406	270.515507155958	"C19H14O5"	"O5"	"CHO"	19	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.083230983006	323.09140001026	-2.77125602367144	2.77	323	322.729741688207	0.270258311792645	13	0.263157894736842	0.736842105263158	8	24.7757018121615	24	1	40	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+453.207050530091	23742583.9868129	680.029439687053	"C30H28O4"	"O4"	"CHO"	30	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	452.199774077931	453.20603583456	2.24390985838285	2.24	453	452.700995488705	0.299004511294584	17	0.133333333333333	0.933333333333333	13	34.7845199524923	34	1	62	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+349.149373282303	142510898.540788	589.195287331684	"C15H24O9"	"O9"	"CHO"	15	24	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.142096830143	349.14930881846	0.185165320643262	0.19	349	348.75950997294	0.24049002705965	4	0.6	1.6	-5	26.7801563358692	24	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+389.253270057012	109569632.00546	600.061954490506	"C20H36O7"	"O7"	"CHO"	20	36	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.245993604852	389.25337995666	-0.283067049661739	0.28	389	388.818626378239	0.181373621760827	3	0.35	1.8	-4	29.8650848849615	27	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+385.221417117398	200517734.359424	623.508988120007	"C20H32O7"	"O7"	"CHO"	20	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.214140665238	385.22207982906	-1.72484974345898	1.72	385	384.791275441636	0.208724558363542	5	0.35	1.6	-2	29.5549848751462	27	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+335.185749376643	55333155.5355144	666.329880674098	"C19H26O5"	"O5"	"CHO"	19	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	334.178472924483	335.18530039306	1.34354430155071	1.34	335	334.811477974479	0.188522025521365	7	0.263157894736842	1.36842105263158	2	25.7060018416077	24	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+347.1852896	30399054.0064401	765.380535554909	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.17801314784	347.18530039306	-0.0311777744917806	0.03	347	346.797619404023	0.202380595976706	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+491.284134490824	52393283.07	666.933602068571	"C24H42O10"	"O10"	"CHO"	24	42	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.276858038664	491.28507401496	-1.91631344729786	1.92	491	490.735562237323	0.264437762677062	4	0.416666666666667	1.75	-6	37.7136767356	34	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+405.263125139133	66148841.1742378	689.337965079975	"C24H36O5"	"O5"	"CHO"	24	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.255848686973	405.26355071206	-1.05273165078792	1.05	405	404.81060471315	0.189395286849901	7	0.208333333333333	1.5	2	31.0966364815308	29	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+347.206122573127	57039232.48	568.626579332248	"C17H30O7"	"O7"	"CHO"	17	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.198846120967	347.20642976526	-0.887328587126523	0.89	347	346.818429114866	0.181570885133567	3	0.411764705882353	1.76470588235294	-4	26.6307041010077	24	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+355.175910412071	72312819.1198315	611.326494	"C18H26O7"	"O7"	"CHO"	18	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.168633959911	355.17512963766	2.20452726789633	2.2	355	354.779317817511	0.220682182489327	6	0.388888888888889	1.44444444444444	-1	27.2436810142692	25	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+325.142794730784	3442856915.72477	1317.22201130656	"C20H20O4"	"O4"	"CHO"	20	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.135518278624	325.14343557936	-1.97710074922869	1.98	325	324.779737381497	0.220262618503227	11	0.2	1	7	24.9335507020923	24	1	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+429.247175603522	28188694.0424859	615.939768413852	"C22H36O8"	"O8"	"CHO"	22	36	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	428.239899151362	429.24829457896	-2.61296399563221	2.61	429	428.767874372527	0.23212562747301	5	0.363636363636364	1.63636363636364	-3	32.9416167789846	30	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+487.158936326527	67744372.5019238	407.39710485226	"C25H26O10"	"O10"	"CHO"	25	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	486.151659874367	487.15987350456	-1.92774829407455	1.93	487	486.614970306149	0.385029693850981	13	0.4	1.04	3	37.3963536194154	35	0.9	52	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363.164041941685	384059413.267091	438.162794940905	"C16H26O9"	"O9"	"CHO"	16	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.156765489525	363.16495888226	-2.53188856957992	2.53	363	362.758529728096	0.241470271903893	4	0.5625	1.625	-5	27.8582832638538	25	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+453.174683352633	71593815.697789	555.058724046358	"C22H28O10"	"O10"	"CHO"	22	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	452.167406900473	453.17552356836	-1.8581961329598	1.86	453	452.668664452727	0.331335547273113	9	0.454545454545455	1.27272727272727	-1	34.7821728550923	32	0.9	46	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+401.216734788988	106318648.873581	700.929372046688	"C20H32O8"	"O8"	"CHO"	20	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.209458336828	401.21699445136	-0.648816180110935	0.65	401	400.768732598619	0.231267401381217	5	0.4	1.6	-3	30.7853629230154	28	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+351.2158313	25364281.7907845	490.363765186995	"C20H30O5"	"O5"	"CHO"	20	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	350.20855484784	351.21660052066	-2.19646450480994	2.2	351	350.823660565154	0.176339434846057	6	0.25	1.5	1	26.9391787745	25	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+351.215832566499	371894339.228317	639.7126149	"C20H30O5"	"O5"	"CHO"	20	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	350.208556114339	351.21660052066	-2.19284808322963	2.19	351	350.823661830239	0.176338169761266	6	0.25	1.5	1	26.9391787745	25	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+327.216267046548	706207662.3095	658.569009858429	"C18H30O5"	"O5"	"CHO"	18	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.208990594388	327.21660052066	-1.02227137080219	1.02	327	326.85089443955	0.149105560450494	4	0.277777777777778	1.66666666666667	-1	25.0930249283462	23	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+327.252015016946	46040200.17	658.095065550794	"C19H34O4"	"O4"	"CHO"	19	34	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.244738564786	327.25298602596	-2.97632083897008	2.98	327	326.886602493444	0.1133975065556	3	0.210526315789474	1.78947368421053	-1	25.0958238133692	23	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329.04517009725	78540133.0292901	269.61610842653	"C20H8O5"	"O5"	"CHO"	20	8	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.03789364509	329.04444981886	2.19571703122261	2.2	329	328.677755320766	0.32224467923362	17	0.25	0.4	12	25.2336287205154	25	1	42	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+365.122178727037	37054163.5	479.729402624714	"C18H20O8"	"O8"	"CHO"	18	20	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	364.114902274877	365.12309406856	-2.51388096804849	2.51	365	364.71448004042	0.285519959579631	9	0.444444444444444	1.11111111111111	1	28.0089090474154	26	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+421.222660577169	35986674.4299451	624.011111647018	"C23H32O7"	"O7"	"CHO"	23	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	420.215384125009	421.22207982906	1.38202486384296	1.38	421	420.75231959134	0.247680408659903	8	0.304347826086957	1.39130434782609	1	32.3242156443769	30	0.9	48	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+461.236978159192	317616150.1	379.584747623131	"C22H36O10"	"O10"	"CHO"	22	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	460.229701707032	461.23812382356	-2.48933166128984	2.49	461	460.72195682888	0.278043171120316	5	0.454545454545455	1.63636363636364	-5	35.4023728747231	32	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+495.29476249602	32460416.1209947	735.576324970442	"C27H42O8"	"O8"	"CHO"	27	42	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	494.28748604386	495.29524477036	-0.975696034458519	0.98	495	494.741711939459	0.258288060540963	7	0.296296296296296	1.55555555555556	-1	38.0221514090923	35	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+385.11287648203	193091134.575252	295.37829693985	"C17H20O10"	"O10"	"CHO"	17	20	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.10560002987	385.11292331316	-0.121922538907357	0.12	385	384.682856003712	0.317143996288451	8	0.588235294117647	1.17647058823529	-2	29.5465882200769	27	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.133108953088	20373907.5938803	702.760855442279	"C20H20O6"	"O6"	"CHO"	20	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.125832500928	357.13326482396	-0.437684823080732	0.44	357	356.734330933152	0.265669066847977	11	0.3	1	5	27.3943067978308	26	0.9	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+399.200174337473	247786456.210708	621.187494172124	"C20H30O8"	"O8"	"CHO"	20	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.192897885313	399.20134438756	-2.9384001905252	2.94	399	398.754423856519	0.245576143480889	6	0.4	1.5	-2	30.6303129181077	28	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+385.111863943504	137000821.355081	439.845200745582	"C17H20O10"	"O10"	"CHO"	17	20	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.104587491344	385.11292331316	-2.75802396141578	2.76	385	384.681844595795	0.318155404204902	8	0.588235294117647	1.17647058823529	-2	29.5465882200769	27	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+357.264464978148	107309196.49394	636.256697246044	"C20H36O5"	"O5"	"CHO"	20	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.257188525988	357.26355071206	2.56630916509629	2.57	357	356.865540284901	0.134459715099069	3	0.25	1.8	-2	27.4043287892231	25	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+369.154800312064	32633569.620638	612.407069840937	"C18H24O8"	"O8"	"CHO"	18	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.147523859904	369.15439419616	1.1031336018654	1.1	369	368.74259876416	0.257401235840234	7	0.444444444444444	1.33333333333333	-1	28.3190090572308	26	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+493.278923581597	45769326.6890002	700.382164	"C27H40O8"	"O8"	"CHO"	27	40	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	492.271647129437	493.27959470656	-1.36332239925241	1.36	493	492.728123928777	0.271876071223403	8	0.296296296296296	1.48148148148148	0	37.8671014041846	35	0.9	56	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+415.195395703443	320610569.462902	593.835034944563	"C20H30O9"	"O9"	"CHO"	20	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.188119251283	415.19625900986	-2.08433409086935	2.08	415	414.731784815417	0.2682151845828	6	0.45	1.5	-3	31.8606909659769	29	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+373.184936094587	58978791.4201547	585.058700801063	"C18H28O8"	"O8"	"CHO"	18	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.177659642427	373.18569432376	-2.03727750275073	2.04	373	372.768234461064	0.231765538935576	5	0.444444444444444	1.55555555555556	-3	28.6291090670462	26	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+347.186155724485	100839859.3	570.000706326422	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.178879272325	347.18530039306	2.47077876843481	2.47	347	346.798484561386	0.201515438614024	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+333.2262898	96952209.8083757	682.160742930592	"C17H32O6"	"O6"	"CHO"	17	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.21901334784	333.22716520676	-2.63502907660892	2.64	333	332.854206347904	0.145793652096074	2	0.352941176470588	1.88235294117647	-4	25.5553760580462	23	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+413.179716124696	185509431.051892	586.646539606671	"C20H28O9"	"O9"	"CHO"	20	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.172439672536	413.18060894606	-2.16613552500996	2.17	413	412.718355962495	0.281644037504975	7	0.45	1.4	-2	31.7056409610692	29	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+421.207574941315	36270223.0034787	265.735987316107	"C19H32O10"	"O10"	"CHO"	19	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	420.200298489155	421.20682369596	1.78782679996146	1.79	421	420.737250800242	0.262749199758161	4	0.526315789473684	1.68421052631579	-6	32.3230420956769	29	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+421.1484238	56867766.8623996	509.011694849857	"C21H24O9"	"O9"	"CHO"	21	24	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	420.14114734784	421.14930881846	-2.10647889544541	2.11	421	420.67816570762	0.321834292380345	10	0.428571428571429	1.14285714285714	1	32.3186178743308	30	0.9	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+407.242033123565	159114839.309513	597.8274613	"C23H34O6"	"O6"	"CHO"	23	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	406.234756671405	407.24281527056	-1.92535715407973	1.93	407	406.787303031248	0.212696968752084	7	0.260869565217391	1.47826086956522	1	31.2488876014154	29	0.9	48	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+415.122743935729	102945735.492776	205.219813939087	"C18H22O11"	"O11"	"CHO"	18	22	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.115467483569	415.12348799926	-1.79675377862379	1.8	415	414.659214171316	0.340785828683977	8	0.611111111111111	1.22222222222222	-3	31.8550931959308	29	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+491.265137144474	55611197.9559347	559.466040819332	"C27H38O8"	"O8"	"CHO"	27	38	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.257860692314	491.26394464276	2.4323969274405	2.43	491	490.71658610358	0.28341389642037	9	0.296296296296296	1.40740740740741	1	37.7120513992769	35	0.9	56	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+377.195891928277	38576129.9708501	524.677014542771	"C21H28O6"	"O6"	"CHO"	21	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.188615476117	377.19586507916	0.071371423464582	0.07	377	376.774711625638	0.225288374361696	8	0.285714285714286	1.33333333333333	2	28.9375837405385	27	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+377.195892625204	32464299.6689346	567.284280690343	"C21H28O6"	"O6"	"CHO"	21	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.188616173044	377.19586507916	0.0732240233358634	0.07	377	376.774712321787	0.225287678212851	8	0.285714285714286	1.33333333333333	2	28.9375837405385	27	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+377.231285904249	46803445.2332361	693.789473947398	"C22H32O5"	"O5"	"CHO"	22	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.224009452089	377.23225058446	-2.56411123891076	2.56	377	376.810066080381	0.189933919619477	7	0.227272727272727	1.45454545454545	2	28.9403826255615	27	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+449.128044417495	21765673.6261134	424.559874177135	"C18H24O13"	"O13"	"CHO"	18	24	13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	448.120767965335	449.12896730766	-2.05946751626037	2.06	449	448.626544030775	0.37345596922512	7	0.722222222222222	1.33333333333333	-6	34.4708992965769	31	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+437.233250614963	26318845.3572657	384.650069907939	"C27H32O5"	"O5"	"CHO"	27	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	436.225974162803	437.23225058446	2.29245978528365	2.29	437	436.745032061266	0.254967938734069	12	0.185185185185185	1.18518518518519	7	33.5557672409462	32	1	56	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+471.257622276222	27737975.3080147	305.970043386351	"C24H38O9"	"O9"	"CHO"	24	38	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	470.250345824062	471.25885926506	-2.63049001236666	2.63	471	470.731411805168	0.268588194831693	6	0.375	1.58333333333333	-3	36.1731986779154	33	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+399.201241511771	61096287.8099862	390.0442231	"C20H30O8"	"O8"	"CHO"	20	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.193965059611	399.20134438756	-0.258355972346157	0.26	399	398.755489839201	0.24451016079928	6	0.4	1.5	-2	30.6303129181077	28	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+483.237975188856	28975700.2017335	632.257381918728	"C28H34O7"	"O7"	"CHO"	28	34	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	482.230698736696	483.23772989286	0.508669391364644	0.51	483	482.698387348713	0.301612651287371	12	0.25	1.21428571428571	5	37.0946502646692	35	0.9	58	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+459.202011162696	79092905.6023502	409.811810761606	"C25H30O8"	"O8"	"CHO"	25	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	458.194734710536	459.20134438756	1.45522216968299	1.46	459	458.689262094712	0.310737905288477	11	0.32	1.2	3	35.2456975334923	33	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+469.243345845043	367749132.137514	517.606786549861	"C24H36O9"	"O9"	"CHO"	24	36	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	468.236069392883	469.24320920126	0.291826691639089	0.29	469	468.719384533047	0.280615466952895	7	0.375	1.5	-2	36.0181486730077	33	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+471.1848752	113808329.61477	512.472131326782	"C22H30O11"	"O11"	"CHO"	22	30	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	470.17759874784	471.18608825446	-2.57999203537532	2.58	471	470.658745958982	0.341254041018431	8	0.5	1.36363636363636	-3	36.1676009078692	33	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+353.231194910443	535202709.558973	672.430895554886	"C20H32O5"	"O5"	"CHO"	20	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	352.223918458283	353.23225058446	-2.99716731788856	3	353	352.836773802585	0.163226197414929	5	0.25	1.6	0	27.0942287794077	25	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+493.205422007142	82406287.8747297	486.370020786624	"C25H32O10"	"O10"	"CHO"	25	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	492.198145554982	493.20682369596	-2.84781409820296	2.85	493	492.654704426836	0.345295573163753	10	0.4	1.28	0	37.8615036341385	35	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+393.175031462207	79201627.83209	416.238379146144	"C17H28O10"	"O10"	"CHO"	17	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	392.167755010047	393.17552356836	-1.25483583656805	1.25	393	392.736008709614	0.26399129038623	4	0.588235294117647	1.64705882352941	-6	30.1667882397077	27	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+479.247284515764	177394412.931401	532.673064340043	"C22H38O11"	"O11"	"CHO"	22	38	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	478.240008063604	479.24868850966	-2.93575165667854	2.94	479	478.712152716477	0.287847283522638	4	0.5	1.72727272727273	-7	36.7878009275	33	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+389.106970579626	43806205.673003	357.842218786833	"C16H20O11"	"O11"	"CHO"	16	20	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.099694127466	389.10783793546	-2.23487894244579	2.23	389	388.672490260157	0.327509739843379	7	0.6875	1.25	-4	29.8538893448692	27	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+435.222060757962	744697179.735862	594.468421125816	"C20H34O10"	"O10"	"CHO"	20	34	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	434.214784305802	435.22247375976	-0.951146328649494	0.95	435	434.736087916826	0.26391208317358	4	0.5	1.7	-6	33.4011690236615	30	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363.21605732406	21531882.7994248	651.075543296237	"C21H30O5"	"O5"	"CHO"	21	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.2087808719	363.21660052066	-1.49967816544492	1.5	363	362.81048702963	0.189512970369606	7	0.238095238095238	1.42857142857143	2	27.8622556975769	26	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+391.284150943424	91187303.6660579	959.524657137378	"C24H38O4"	"O4"	"CHO"	24	38	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.276874491264	391.28428615356	-0.346446701969797	0.35	391	390.84723956491	0.152760435089647	6	0.166666666666667	1.58333333333333	2	30.0213084385692	28	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+355.08071503204	30963996.3413598	352.91818589659	"C19H14O7"	"O7"	"CHO"	19	14	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.07343857988	355.08122925486	-1.45230555000477	1.45	355	354.684228733491	0.315771266508534	13	0.368421052631579	0.736842105263158	6	27.2364579079	26	1	40	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+121.028406955477	459446839.554623	216.207347867731	"C7H4O2"	"O2"	"CHO"	7	4	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.021130503317	121.02840582436	0.00942431539991429	0.01	121	120.893265555053	0.106734444947051	6	0.285714285714286	0.571428571428571	4	9.23239456709231	9	1	16	0.2	122.031729582056	53410998.8063454	224.66676457537	0	0	0	0	0	0	"Unambiguous"
+121.028559025773	1595587839.93053	207.696869046148	"C7H4O2"	"O2"	"CHO"	7	4	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.021282573613	121.02840582436	1.27645205678646	1.28	121	120.893417455546	0.106582544454085	6	0.285714285714286	0.571428571428571	4	9.23239456709231	9	1	16	0.2	122.031910477811	111453762.090204	207.855893324489	0	0	0	0	0	0	"Unambiguous"
+121.028559025627	762712414.571087	224.567988388618	"C7H4O2"	"O2"	"CHO"	7	4	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.021282573467	121.02840582436	1.27645084031775	1.28	121	120.8934174554	0.106582544599931	6	0.285714285714286	0.571428571428571	4	9.23239456709231	9	1	16	0.2	122.031910477811	111453762.090204	207.855893324489	0	0	0	0	0	0	"Unambiguous"
+121.064480614559	133254582.894892	462.7353718	"C8H8O"	"O"	"CHO"	8	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.057204162399	121.06479132966	-2.58805877716369	2.59	121	120.929298933965	0.070701066035042	5	0.125	1	4	9.23519345211538	9	1	18	0.4	122.068097517923	19923361.3294357	134.560305806195	0	0	0	0	0	0	"Unambiguous"
+121.064772496781	430665965.04085	140.85424693604	"C8H8O"	"O"	"CHO"	8	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.057496044621	121.06479132966	-0.156865498728882	0.16	121	120.929590490269	0.0704095097313342	5	0.125	1	4	9.23519345211538	9	1	18	0.4	122.068097517923	19923361.3294357	134.560305806195	0	0	0	0	0	0	"Unambiguous"
+121.101133005817	321389414.137654	422.3570953	"C9H12"	""	"CH"	9	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.093856553657	121.10117683496	-0.36495741125817	0.36	121	120.965910398835	0.0340896011645526	4	0	1.33333333333333	4	9.23799233713846	9	1	20	0.6	122.104664227996	45834644.7589558	451.428059293806	0	0	0	0	0	0	"Unambiguous"
+127.039058916922	80027118.1286337	195.927359304219	"C6H6O3"	"O3"	"CHO"	6	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.031782464762	127.03897051046	0.701461649461922	0.7	127	126.897205968821	0.10279403117886	4	0.5	1	1	9.69474569679231	9	0.9	14	0.4	128.042378298237	21780670.9564565	153.604116055352	0	0	0	0	0	0	"Unambiguous"
+127.039058673366	381803778.307465	154.69058659011	"C6H6O3"	"O3"	"CHO"	6	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.031782221206	127.03897051046	0.699529154127052	0.7	127	126.897205725537	0.102794274462909	4	0.5	1	1	9.69474569679231	9	0.9	14	0.4	128.042378298237	21780670.9564565	153.604116055352	0	0	0	0	0	0	"Unambiguous"
+127.038973541025	115368386.33415	201.423232406822	"C6H6O3"	"O3"	"CHO"	6	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.031697088865	127.03897051046	0.0240460541386595	0.02	127	126.897120688256	0.102879311744374	4	0.5	1	1	9.69474569679231	9	0.9	14	0.4	128.042378298237	21780670.9564565	153.604116055352	0	0	0	0	0	0	"Unambiguous"
+127.039058673322	185078214.682774	126.125181069972	"C6H6O3"	"O3"	"CHO"	6	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.031782221162	127.03897051046	0.69952880503435	0.7	127	126.897205725493	0.102794274506863	4	0.5	1	1	9.69474569679231	9	0.9	14	0.4	128.042378298237	21780670.9564565	153.604116055352	0	0	0	0	0	0	"Unambiguous"
+131.049175570564	3620381521.35658	426.862651647407	"C9H6O"	"O"	"CHO"	9	6	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	130.041899118404	131.04914126586	0.263797316360804	0.26	131	130.902844890383	0.0971551096170629	7	0.111111111111111	0.666666666666667	6	10.0032203702846	10	1	20	0.3	132.0524023	312302404.350288	425.674932271274	0	0	0	0	0	0	"Unambiguous"
+133.101187356486	1023102859.61537	565.526305957882	"C10H12"	""	"CH"	10	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	132.093910904326	133.10117683496	0.0796518623435948	0.08	133	132.952565381613	0.0474346183870296	5	0	1.2	5	10.1610692602154	10	1	22	0.5	134.104563201179	79684345.551241	587.216536573762	0	0	0	0	0	0	"Unambiguous"
+135.044203360548	1624879837.86781	333.703943327664	"C8H6O2"	"O2"	"CHO"	8	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.036926908388	135.04405588816	1.10023701246856	1.1	135	134.893411796647	0.106588203353255	6	0.25	0.75	4	10.3105214950769	10	1	18	0.3	136.047922377555	194995843.624436	331.436138051741	0	0	0	0	0	0	"Unambiguous"
+135.080555334188	381343686.325133	427.44608580809	"C9H10O"	"O"	"CHO"	9	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.073278882028	135.08044139346	0.849839199498983	0.85	135	134.929723179348	0.0702768206517703	5	0.111111111111111	1.11111111111111	4	10.3133203801	10	1	20	0.5	136.083643806752	37268325.5542081	451.358124353146	0	0	0	0	0	0	"Unambiguous"
+135.116588676049	162510600.726896	578.849942117766	"C10H14"	""	"CH"	10	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.109312223889	135.11682689876	-1.77633235943384	1.78	135	134.965716286058	0.0342837139422159	4	0	1.4	4	10.3161192651231	10	1	22	0.6	136.120078464019	44223980.8202886	482.651706705432	0	0	0	0	0	0	"Unambiguous"
+135.117008833359	105036243.427674	264.692010948691	"C10H14"	""	"CH"	10	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.109732381199	135.11682689876	1.35660996236638	1.36	135	134.966135974216	0.0338640257836289	4	0	1.4	4	10.3161192651231	10	1	22	0.6	136.120291016469	52496625.9241248	404.415335732715	0	0	0	0	0	0	"Unambiguous"
+135.117009388207	97077713.2592034	400.602165294808	"C10H14"	""	"CH"	10	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.109732936047	135.11682689876	1.36074722555962	1.36	135	134.966136528445	0.0338634715551507	4	0	1.4	4	10.3161192651231	10	1	22	0.6	136.120291016469	52496625.9241248	404.415335732715	0	0	0	0	0	0	"Unambiguous"
+135.117010190974	310291098.062052	532.223208398032	"C10H14"	""	"CH"	10	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.109733738814	135.11682689876	1.36673311405651	1.37	135	134.966137330315	0.0338626696845097	4	0	1.4	4	10.3161192651231	10	1	22	0.6	136.120291016469	52496625.9241248	404.415335732715	0	0	0	0	0	0	"Unambiguous"
+137.059611	504554937.858099	338.116971352569	"C8H8O2"	"O2"	"CHO"	8	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.05233454784	137.05970595196	-0.697907612609302	0.7	137	136.906569013924	0.0934309860762994	5	0.25	1	3	10.4655714999846	10	1	18	0.4	138.062769711912	70422417.8690615	258.184450257708	0	0	0	0	0	0	"Unambiguous"
+137.059829579825	68436483.3157973	1006.780378	"C8H8O2"	"O2"	"CHO"	8	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.052553127665	137.05970595196	0.908677288049831	0.91	137	136.906787349681	0.0932126503194866	5	0.25	1	3	10.4655714999846	10	1	18	0.4	138.063314108629	29794269.661075	839.88530752187	0	0	0	0	0	0	"Unambiguous"
+145.085900628212	1579551131.56632	229.048503394111	"C7H12O3"	"O3"	"CHO"	7	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.078624176052	145.08592070186	-0.139324262231828	0.14	145	144.923896415433	0.0761035845667095	2	0.428571428571429	1.71428571428571	-1	11.0829726345923	10	0.9	16	0.8	146.089138288007	99898681.9627213	229.351770619046	0	0	0	0	0	0	"Unambiguous"
+147.044179044524	190866717.677523	314.520110492621	"C9H6O2"	"O2"	"CHO"	9	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.036902592364	147.04405588816	0.84332358336435	0.84	147	146.879988200571	0.120011799428795	7	0.222222222222222	0.666666666666667	5	11.2335984181538	11	1	20	0.3	148.047283684365	19857549.6763571	325.5303312	0	0	0	0	0	0	"Unambiguous"
+147.080316009467	177285374.620335	377.235939979885	"C10H10O"	"O"	"CHO"	10	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.073039557307	147.08044139346	-0.858365057567409	0.86	147	146.916084814656	0.0839151853436704	6	0.1	1	5	11.2363973031769	11	1	22	0.5	148.083550145682	36058954.2341292	565.6428664	0	0	0	0	0	0	"Unambiguous"
+147.080316611482	63288839.3374306	487.011134083215	"C10H10O"	"O"	"CHO"	10	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.073040159322	147.08044139346	-0.854243725370678	0.85	147	146.916085415999	0.0839145840008939	6	0.1	1	5	11.2363973031769	11	1	22	0.5	148.083550145682	36058954.2341292	565.6428664	0	0	0	0	0	0	"Unambiguous"
+147.080316883342	109020558.600184	544.138229956017	"C10H10O"	"O"	"CHO"	10	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.073040431182	147.08044139346	-0.852382600140621	0.85	147	146.916085687556	0.083914312444449	6	0.1	1	5	11.2363973031769	11	1	22	0.5	148.083550145682	36058954.2341292	565.6428664	0	0	0	0	0	0	"Unambiguous"
+149.023348382557	120218813.836394	804.4273921	"C8H4O3"	"O3"	"CHO"	8	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.016071930397	149.02332044666	0.188735565298194	0.19	149	148.85694758044	0.143052419559723	7	0.375	0.5	4	11.3858495380385	11	1	18	0.2	150.026570646259	42196676.3563163	794.420816972083	0	0	0	0	0	0	"Unambiguous"
+149.023335914536	106666543.777733	1319.73910824109	"C8H4O3"	"O3"	"CHO"	8	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.016059462376	149.02332044666	0.104501336323411	0.1	149	148.856935126341	0.143064873658801	7	0.375	0.5	4	11.3858495380385	11	1	18	0.2	150.026570646259	42196676.3563163	794.420816972083	0	0	0	0	0	0	"Unambiguous"
+149.023333109275	544581357.180439	794.369181693333	"C8H4O3"	"O3"	"CHO"	8	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.016056657115	149.02332044666	0.0855489282196844	0.09	149	148.856932324213	0.143067675787421	7	0.375	0.5	4	11.3858495380385	11	1	18	0.2	150.026570646259	42196676.3563163	794.420816972083	0	0	0	0	0	0	"Unambiguous"
+149.096105311228	970637311.5	376.003310627046	"C10H12O"	"O"	"CHO"	10	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.088828859068	149.09609145726	0.0935517426007259	0.09	149	148.929623268075	0.0703767319252506	5	0.1	1.2	4	11.3914473080846	11	1	22	0.5	150.099338738694	109582112.792676	413.386194906235	0	0	0	0	0	0	"Unambiguous"
+151.038974157049	561974489.872506	242.962644750034	"C8H6O3"	"O3"	"CHO"	8	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.031697704889	151.03897051046	0.0243054572976166	0.02	151	150.870322689186	0.129677310814259	6	0.375	0.75	3	11.5408995429462	11	1	18	0.3	152.04228982968	33301385.4760669	242.892452488447	0	0	0	0	0	0	"Unambiguous"
+151.038974157078	158931936.86869	279.991417174081	"C8H6O3"	"O3"	"CHO"	8	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.031697704918	151.03897051046	0.0243056505244038	0.02	151	150.870322689215	0.129677310785297	6	0.375	0.75	3	11.5408995429462	11	1	18	0.3	152.04228982968	33301385.4760669	242.892452488447	0	0	0	0	0	0	"Unambiguous"
+151.075348189833	297260791.49097	396.7290253003	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068071737673	151.07535601576	-0.0521491808574883	0.05	151	150.9066561064	0.0933438936002347	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	152.078775254603	144820877.464714	413.871641030038	0	0	0	0	0	0	"Unambiguous"
+151.075348501832	356233349.575239	431.297547359197	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068072049672	151.07535601576	-0.0500701308994088	0.05	151	150.90665641805	0.0933435819496253	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	152.078775254603	144820877.464714	413.871641030038	0	0	0	0	0	0	"Unambiguous"
+151.111735640747	1009214168.08703	576.711176614036	"C10H14O"	"O"	"CHO"	10	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.104459188587	151.11174152106	-0.0391748054321338	0.04	151	150.943002926761	0.0569970732389891	4	0.1	1.4	3	11.5464973129923	11	1	22	0.6	152.115022338309	86619756.75	578.6069949	0	0	0	0	0	0	"Unambiguous"
+153.0548737116	263401094.044576	273.287861867205	"C8H8O3"	"O3"	"CHO"	8	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.04759725944	153.05462057426	1.66485590425078	1.66	153	152.883971272285	0.116028727715076	5	0.375	1	2	11.6959495478538	11	0.9	18	0.4	154.057848301939	76839693.460119	241.238881668081	0	0	0	0	0	0	"Unambiguous"
+153.090962015696	499816501.730944	406.508367044693	"C9H12O2"	"O2"	"CHO"	9	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.083685563536	153.09100607956	-0.289734325195616	0.29	153	152.920019279858	0.0799807201418616	4	0.222222222222222	1.33333333333333	2	11.6987484328769	11	0.9	20	0.6	154.094290985006	29387681.2203539	454.671135980701	0	0	0	0	0	0	"Unambiguous"
+153.127316094464	142171940.242488	366.444603431869	"C10H16O"	"O"	"CHO"	10	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.120039642304	153.12739158486	-0.496255432075787	0.5	153	152.956332765337	0.0436672346629905	3	0.1	1.6	2	11.7015473179	11	0.9	22	0.7	154.130490423154	83504661.4511727	529.30027344462	0	0	0	0	0	0	"Unambiguous"
+153.127570993099	233769978.663164	525.205549332726	"C10H16O"	"O"	"CHO"	10	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.120294540939	153.12739158486	1.17938398389062	1.18	153	152.95658737935	0.0434126206500594	3	0.1	1.6	2	11.7015473179	11	0.9	22	0.7	154.130490423154	83504661.4511727	529.30027344462	0	0	0	0	0	0	"Unambiguous"
+153.127571565923	232926651.290934	616.939533463001	"C10H16O"	"O"	"CHO"	10	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.120295113763	153.12739158486	1.18314957829002	1.18	153	152.956587951534	0.043412048465683	3	0.1	1.6	2	11.7015473179	11	0.9	22	0.7	154.130490423154	83504661.4511727	529.30027344462	0	0	0	0	0	0	"Unambiguous"
+163.03874778808	51123552.5496636	622.362910076871	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.03147133592	163.03897051046	-1.37456247327428	1.37	163	162.856697265779	0.143302734220669	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042329495914	22884514.0142232	794.594714114366	0	0	0	0	0	0	"Unambiguous"
+163.038746167739	175038518.098056	331.749877104672	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031469715579	163.03897051046	-1.38456264941238	1.38	163	162.856695647248	0.143304352752409	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042329495914	22884514.0142232	794.594714114366	0	0	0	0	0	0	"Unambiguous"
+163.039028106743	38730941.8701385	815.846984868058	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031751654583	163.03897051046	0.355462941131574	0.36	163	162.856977271436	0.143022728564006	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+163.039025195836	152837103.236413	264.910261010672	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031748743676	163.03897051046	0.337497906576698	0.34	163	162.856974363779	0.143025636220671	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+163.039028106758	313721942.353506	794.185362622496	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031751654598	163.03897051046	0.355463033747108	0.36	163	162.856977271451	0.143022728549028	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+163.039025865484	144128908.085932	366.982405291024	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031749413324	163.03897051046	0.341630724949995	0.34	163	162.85697503268	0.1430249673204	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+163.075627543535	224964193.523705	394.571469318479	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068351091375	163.07535601576	1.6753904952449	1.68	163	162.89353584097	0.106464159030082	6	0.2	1	4	12.4667753510462	12	1	22	0.5	164.078703575507	50251861.9784948	451.471880726613	0	0	0	0	0	0	"Unambiguous"
+163.075348762482	142055110.37146	485.295056418014	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068072310322	163.07535601576	-0.0447545151623964	0.04	163	162.893257371206	0.106742628793683	6	0.2	1	4	12.4667753510462	12	1	22	0.5	164.078703575507	50251861.9784948	451.471880726613	0	0	0	0	0	0	"Unambiguous"
+163.075348431731	115436266.054428	451.066425278218	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068071979571	163.07535601576	-0.046795330678992	0.05	163	162.893257040825	0.106742959175364	6	0.2	1	4	12.4667753510462	12	1	22	0.5	164.078703575507	50251861.9784948	451.471880726613	0	0	0	0	0	0	"Unambiguous"
+163.111683432606	44598347.24	563.826538546331	"C11H14O"	"O"	"CHO"	11	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.104406980446	163.11174152106	-0.358339758266703	0.36	163	162.929551469713	0.0704485302869386	5	0.0909090909090909	1.27272727272727	4	12.4695742360692	12	1	24	0.6	164.115092017902	22767070.6439868	475.561181628646	0	0	0	0	0	0	"Unambiguous"
+163.111683131241	309673002.132054	482.015704384488	"C11H14O"	"O"	"CHO"	11	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.104406679081	163.11174152106	-0.360198838508834	0.36	163	162.929551168685	0.0704488313154457	5	0.0909090909090909	1.27272727272727	4	12.4695742360692	12	1	24	0.6	164.115092017902	22767070.6439868	475.561181628646	0	0	0	0	0	0	"Unambiguous"
+165.054917933159	181867600.61938	289.87621123562	"C9H8O3"	"O3"	"CHO"	9	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.047641480999	165.05462057426	1.81263745296308	1.81	165	164.870616137263	0.129383862737313	6	0.333333333333333	0.888888888888889	3	12.6190264709308	12	1	20	0.4	166.05809385444	56141878.6955072	256.487700929703	0	0	0	0	0	0	"Unambiguous"
+165.054633050795	356847809.252394	250.993879837395	"C9H8O3"	"O3"	"CHO"	9	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.047356598635	165.05462057426	0.0760544714881349	0.08	165	164.870331573001	0.129668426999132	6	0.333333333333333	0.888888888888889	3	12.6190264709308	12	1	20	0.4	166.05809385444	56141878.6955072	256.487700929703	0	0	0	0	0	0	"Unambiguous"
+165.091063019601	470015361.422812	500.986596531268	"C10H12O2"	"O2"	"CHO"	10	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.083786567441	165.09100607956	0.347018082546173	0.35	165	164.906720863778	0.0932791362217245	5	0.2	1.2	3	12.6218253559538	12	1	22	0.5	166.094148326901	39728369.5270568	536.346572160807	0	0	0	0	0	0	"Unambiguous"
+165.091062684938	772321498.032544	438.459128202056	"C10H12O2"	"O2"	"CHO"	10	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.083786232778	165.09100607956	0.344978497302112	0.34	165	164.906720529489	0.0932794705110211	5	0.2	1.2	3	12.6218253559538	12	1	22	0.5	166.094148326901	39728369.5270568	536.346572160807	0	0	0	0	0	0	"Unambiguous"
+167.070173905161	556952873.296589	380.90853177222	"C9H10O3"	"O3"	"CHO"	9	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.062897453001	167.07027063806	-0.582507594975564	0.58	167	166.883621856443	0.116378143557114	5	0.333333333333333	1.11111111111111	2	12.7740764758385	12	0.9	20	0.5	168.073832371366	149719441.222397	388.858513420568	0	0	0	0	0	0	"Unambiguous"
+167.069883439913	321858491.387769	267.035989263785	"C9H10O3"	"O3"	"CHO"	9	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.062606987753	167.07027063806	-2.33163957870522	2.33	167	166.883331715531	0.116668284469	5	0.333333333333333	1.11111111111111	2	12.7740764758385	12	0.9	20	0.5	168.073832371366	149719441.222397	388.858513420568	0	0	0	0	0	0	"Unambiguous"
+167.106692449551	893684258.480123	459.142965920341	"C10H14O2"	"O2"	"CHO"	10	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.099415997391	167.10665614336	0.218581087562847	0.22	167	166.9200996239	0.0799003761000279	4	0.2	1.4	2	12.7768753608615	12	0.9	22	0.6	168.110096210011	262535972.590193	416.39434207331	0	0	0	0	0	0	"Unambiguous"
+167.106692449667	2103863074	407.683168275603	"C10H14O2"	"O2"	"CHO"	10	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.099415997507	167.10665614336	0.218581786044488	0.22	167	166.920099624016	0.0799003759841241	4	0.2	1.4	2	12.7768753608615	12	0.9	22	0.6	168.110096210011	262535972.590193	416.39434207331	0	0	0	0	0	0	"Unambiguous"
+169.085678074997	268407308.300179	338.142916470921	"C9H12O3"	"O3"	"CHO"	9	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.078401622837	169.08592070186	-1.44353385485886	1.44	169	168.896875496317	0.103124503682835	4	0.333333333333333	1.33333333333333	1	12.9291264807462	12	0.9	20	0.6	170.089422178279	41575991.98	324.423152014439	0	0	0	0	0	0	"Unambiguous"
+169.085972775605	118639831.682852	278.33994097873	"C9H12O3"	"O3"	"CHO"	9	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.078696323445	169.08592070186	0.309817639802737	0.31	169	168.89716986786	0.102830132140156	4	0.333333333333333	1.33333333333333	1	12.9291264807462	12	0.9	20	0.6	170.089422178279	41575991.98	324.423152014439	0	0	0	0	0	0	"Unambiguous"
+169.085973819499	165591171.594706	417.337145049626	"C9H12O3"	"O3"	"CHO"	9	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.078697367339	169.08592070186	0.316028383313274	0.32	169	168.897170910588	0.102829089411756	4	0.333333333333333	1.33333333333333	1	12.9291264807462	12	0.9	20	0.6	170.089422178279	41575991.98	324.423152014439	0	0	0	0	0	0	"Unambiguous"
+169.122270213265	759508013.3678	555.431963702421	"C10H16O2"	"O2"	"CHO"	10	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.114993761105	169.12230620716	-0.214102824367436	0.21	169	168.933426775477	0.0665732245232959	3	0.2	1.6	1	12.9319253657692	12	0.9	22	0.7	170.125448166927	198853028.054446	569.572653683446	0	0	0	0	0	0	"Unambiguous"
+169.122270213149	892609768.6485	548.120365515732	"C10H16O2"	"O2"	"CHO"	10	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.114993760989	169.12230620716	-0.214103514475083	0.21	169	168.933426775361	0.0665732246391997	3	0.2	1.6	1	12.9319253657692	12	0.9	22	0.7	170.125448166927	198853028.054446	569.572653683446	0	0	0	0	0	0	"Unambiguous"
+171.065045608766	215792993.838	201.976510001616	"C8H10O4"	"O4"	"CHO"	8	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.057769156606	171.06518526036	-0.821200905374157	0.82	171	170.874032850615	0.125967149384849	4	0.5	1.25	0	13.0813776006308	12	0.9	18	0.6	172.068772679742	23699876.1133968	234.13908723455	0	0	0	0	0	0	"Unambiguous"
+171.101531079244	487600711.785678	494.959346569657	"C9H14O3"	"O3"	"CHO"	9	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.094254627084	171.10157076566	-0.233320144029441	0.23	171	170.910477581091	0.089522418909155	3	0.333333333333333	1.55555555555556	0	13.0841764856538	12	0.9	20	0.7	172.104822618375	35166746.8929395	496.049765304794	0	0	0	0	0	0	"Unambiguous"
+171.101530018729	421692281.77641	333.603268695717	"C9H14O3"	"O3"	"CHO"	9	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.094253566569	171.10157076566	-0.239555012305281	0.24	171	170.91047652176	0.0895234782399825	3	0.333333333333333	1.55555555555556	0	13.0841764856538	12	0.9	20	0.7	172.104822618375	35166746.8929395	496.049765304794	0	0	0	0	0	0	"Unambiguous"
+175.111612481644	372616774.198346	470.779090996811	"C12H14O"	"O"	"CHO"	12	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.104336029484	175.11174152106	-0.741161414771075	0.74	175	174.916081290772	0.083918709227504	6	0.0833333333333333	1.16666666666667	5	13.3926511591462	13	1	26	0.5	176.114988480169	32339318.8773372	455.462824110975	0	0	0	0	0	0	"Unambiguous"
+177.05459583337	912501725.9	323.126387792137	"C10H8O3"	"O3"	"CHO"	10	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.04731938121	177.05462057426	-0.1405354543268	0.14	177	176.85689508993	0.143104910069809	7	0.3	0.8	4	13.5421033940077	13	1	22	0.4	178.058160524218	86410623.2522101	325.33009979187	0	0	0	0	0	0	"Unambiguous"
+179.106626007619	318273486.431317	569.517320862375	"C11H14O2"	"O2"	"CHO"	11	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.099349555459	179.10665614336	-0.169207473584463	0.17	179	178.906633948955	0.0933660510453649	5	0.181818181818182	1.27272727272727	3	13.6999522839385	13	0.9	24	0.6	180.109548958183	32884782.0641421	573.175205543768	0	0	0	0	0	0	"Unambiguous"
+179.10662494346	410651244.349666	405.815116232643	"C11H14O2"	"O2"	"CHO"	11	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.0993484913	179.10665614336	-0.175182561148304	0.18	179	178.906632885984	0.0933671140161323	5	0.181818181818182	1.27272727272727	3	13.6999522839385	13	0.9	24	0.6	180.109548958183	32884782.0641421	573.175205543768	0	0	0	0	0	0	"Unambiguous"
+181.085597833114	1123669555.33242	451.227545221414	"C10H12O3"	"O3"	"CHO"	10	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.078321380954	181.08592070186	-1.79293511579111	1.79	181	180.88339603683	0.116603963170036	5	0.3	1.2	2	13.8522034038231	13	0.9	22	0.5	182.089054964012	112331118.470062	450.860860259147	0	0	0	0	0	0	"Unambiguous"
+181.085598200141	956687155.292605	481.692745706617	"C10H12O3"	"O3"	"CHO"	10	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.078321747981	181.08592070186	-1.79089696017472	1.79	181	180.883396403447	0.116603596552864	5	0.3	1.2	2	13.8522034038231	13	0.9	22	0.5	182.089054964012	112331118.470062	450.860860259147	0	0	0	0	0	0	"Unambiguous"
+181.122227868664	201438070.636461	540.072593137907	"C11H16O2"	"O2"	"CHO"	11	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.114951416504	181.12230620716	-0.434936108189983	0.43	181	180.919985170955	0.080014829044984	4	0.181818181818182	1.45454545454545	2	13.8550022888462	13	0.9	24	0.7	182.125659378633	57097215.9906413	448.41161860987	0	0	0	0	0	0	"Unambiguous"
+181.121900070031	502860778.017699	454.966020901696	"C11H16O2"	"O2"	"CHO"	11	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.114623617871	181.12230620716	-2.25488147962157	2.25	181	180.919657738345	0.0803422616550904	4	0.181818181818182	1.45454545454545	2	13.8550022888462	13	0.9	24	0.7	182.125659378633	57097215.9906413	448.41161860987	0	0	0	0	0	0	"Unambiguous"
+183.064973221144	246577338.971875	263.345300727406	"C9H10O4"	"O4"	"CHO"	9	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.057696768984	183.06518526036	-1.16468141576404	1.16	183	182.860561236619	0.139438763381236	5	0.444444444444444	1.11111111111111	1	14.0044545237077	13	0.9	20	0.5	184.068193934005	31417296.4257934	209.893112915806	0	0	0	0	0	0	"Unambiguous"
+183.064972869845	77051312.7181166	178.589508971492	"C9H10O4"	"O4"	"CHO"	9	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.057696417685	183.06518526036	-1.16661102047345	1.17	183	182.860560885712	0.139439114287967	5	0.444444444444444	1.11111111111111	1	14.0044545237077	13	0.9	20	0.5	184.068193934005	31417296.4257934	209.893112915806	0	0	0	0	0	0	"Unambiguous"
+183.137787042488	196058220.97949	564.838340631361	"C11H18O2"	"O2"	"CHO"	11	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.130510590328	183.13795627096	-0.929160476490813	0.93	183	182.933293753399	0.0667062466006314	3	0.181818181818182	1.63636363636364	1	14.0100522937538	13	0.9	24	0.8	184.14093655924	27606514.5249668	572.008694532704	0	0	0	0	0	0	"Unambiguous"
+185.080360091284	154562393.106717	216.28583336375	"C9H12O4"	"O4"	"CHO"	9	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.073083639124	185.08083532416	-2.58176191001858	2.58	185	184.873697707775	0.126302292225063	4	0.444444444444444	1.33333333333333	0	14.1595045286154	13	0.9	20	0.6	186.084206250812	52542886.6414673	333.212127117981	0	0	0	0	0	0	"Unambiguous"
+185.080698695242	250135963.796113	323.297057990766	"C9H12O4"	"O4"	"CHO"	9	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.073422243082	185.08083532416	-0.742252283544697	0.74	185	184.874035933645	0.125964066355266	4	0.444444444444444	1.33333333333333	0	14.1595045286154	13	0.9	20	0.6	186.084206250812	52542886.6414673	333.212127117981	0	0	0	0	0	0	"Unambiguous"
+185.117196150203	2930168043.75641	398.156810228209	"C10H16O3"	"O3"	"CHO"	10	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.109919698043	185.11722082946	-0.134046318828543	0.13	185	184.910492635221	0.0895073647785125	3	0.3	1.6	0	14.1623034136385	13	0.9	22	0.7	186.120659441291	119946992.257615	319.28104094832	0	0	0	0	0	0	"Unambiguous"
+187.13299380092	249066153.620675	547.881909516666	"C10H18O3"	"O3"	"CHO"	10	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.12571734876	187.13287089326	0.660347542244685	0.66	187	186.924039428273	0.0759605717266254	2	0.3	1.8	-1	14.3173534185462	13	0.9	22	0.8	188.136292913983	42297049.6944913	498.876542920637	0	0	0	0	0	0	"Unambiguous"
+189.091144991185	367368074.668801	486.510875900003	"C12H12O2"	"O2"	"CHO"	12	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.083868539025	189.09100607956	0.738562142866503	0.74	189	188.880004129426	0.119995870573973	7	0.166666666666667	1	5	14.4679792021077	14	1	26	0.5	190.094427496074	160533306.945912	558.675025800168	0	0	0	0	0	0	"Unambiguous"
+189.112429745231	132794541.042587	300.751993611608	"C9H16O4"	"O4"	"CHO"	9	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.105153293071	189.11213545176	1.56451572882809	1.56	189	188.901265116726	0.0987348832744885	2	0.444444444444444	1.77777777777778	-2	14.4696045384308	13	0.9	20	0.8	190.115179190416	69536382.0269061	496.059894516466	0	0	0	0	0	0	"Unambiguous"
+189.112081938728	912529724.020369	496.359929989364	"C9H16O4"	"O4"	"CHO"	9	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.104805486568	189.11213545176	-0.284485193494468	0.28	189	188.900917698586	0.0990823014136311	2	0.444444444444444	1.77777777777778	-2	14.4696045384308	13	0.9	20	0.8	190.115179190416	69536382.0269061	496.059894516466	0	0	0	0	0	0	"Unambiguous"
+191.070268815373	264731601.531424	400.387645969882	"C11H10O3"	"O3"	"CHO"	11	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.062992363213	191.07027063806	-0.00958991010525686	0.01	191	190.856918046271	0.143081953728739	7	0.272727272727273	0.909090909090909	4	14.6202303219923	14	1	24	0.4	192.073289242579	135709823.938213	406.708302827257	0	0	0	0	0	0	"Unambiguous"
+191.106424400511	556566225.984985	477.886575986412	"C12H14O2"	"O2"	"CHO"	12	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.099147948351	191.10665614336	-1.21906305997188	1.22	191	190.89303325976	0.106966740240097	6	0.166666666666667	1.16666666666667	4	14.6230292070154	14	1	26	0.5	192.110086432852	206459537.985948	509.908445146045	0	0	0	0	0	0	"Unambiguous"
+191.106424400424	567684568.348991	500.338688598711	"C12H14O2"	"O2"	"CHO"	12	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.099147948264	191.10665614336	-1.21906351762232	1.22	191	190.893033259673	0.10696674032701	6	0.166666666666667	1.16666666666667	4	14.6230292070154	14	1	26	0.5	192.110086432852	206459537.985948	509.908445146045	0	0	0	0	0	0	"Unambiguous"
+191.142944475175	306047533	499.985852991097	"C13H18O"	"O"	"CHO"	13	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.135668023015	191.14304164866	-0.511074465926227	0.51	191	190.929512555782	0.0704874442177186	5	0.0769230769230769	1.38461538461538	4	14.6258280920385	14	1	28	0.6	192.14689538224	25621027.5492169	523.930833293504	0	0	0	0	0	0	"Unambiguous"
+193.049309403287	196304800.376291	323.6917677	"C10H8O4"	"O4"	"CHO"	10	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.042032951127	193.04953519656	-1.17574923337163	1.18	193	192.833748819785	0.166251180215141	7	0.4	0.8	3	14.7724814418769	14	0.9	22	0.4	194.052738134241	74741187.15	322.540429821806	0	0	0	0	0	0	"Unambiguous"
+193.049669336381	527164122.716719	321.597266388196	"C10H8O4"	"O4"	"CHO"	10	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.042392884221	193.04953519656	0.698490676757182	0.7	193	192.834108350974	0.165891649025639	7	0.4	0.8	3	14.7724814418769	14	0.9	22	0.4	194.052738134241	74741187.15	322.540429821806	0	0	0	0	0	0	"Unambiguous"
+193.085668574628	374864123.30092	413.216624101784	"C11H12O3"	"O3"	"CHO"	11	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.078392122468	193.08592070186	-1.3126267313601	1.31	193	192.87006739215	0.129932607849668	6	0.272727272727273	1.09090909090909	3	14.7752803269	14	0.9	24	0.5	194.089019073039	84003326.8715791	538.785482056795	0	0	0	0	0	0	"Unambiguous"
+193.122037213345	572577566.622463	446.320505771601	"C12H16O2"	"O2"	"CHO"	12	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.114760761185	193.12230620716	-1.40017255268909	1.4	193	192.90639542132	0.0936045786795603	5	0.166666666666667	1.33333333333333	3	14.7780792119231	14	0.9	26	0.6	194.125307872791	60870164.1380882	442.745571430462	0	0	0	0	0	0	"Unambiguous"
+193.12203760483	1099262075.14548	494.038751805699	"C12H16O2"	"O2"	"CHO"	12	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.11476115267	193.12230620716	-1.39813478344931	1.4	193	192.906395812368	0.0936041876316835	5	0.166666666666667	1.33333333333333	3	14.7780792119231	14	0.9	26	0.6	194.125307872791	60870164.1380882	442.745571430462	0	0	0	0	0	0	"Unambiguous"
+193.122038327259	376297477.957395	616.706941667287	"C12H16O2"	"O2"	"CHO"	12	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.114761875099	193.12230620716	-1.39437437492129	1.39	193	192.906396533991	0.0936034660093696	5	0.166666666666667	1.33333333333333	3	14.7780792119231	14	0.9	26	0.6	194.125307872791	60870164.1380882	442.745571430462	0	0	0	0	0	0	"Unambiguous"
+195.06510701891	1030031030.6329	273.833029241348	"C10H10O4"	"O4"	"CHO"	10	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.05783056675	195.06518526036	-0.403186255271033	0.4	195	194.847295577782	0.152704422218022	6	0.4	1	2	14.9275314467846	14	0.9	22	0.5	196.068471335955	106373943.128201	273.479222578062	0	0	0	0	0	0	"Unambiguous"
+195.065107019056	1038872205.00232	236.430552298817	"C10H10O4"	"O4"	"CHO"	10	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.057830566896	195.06518526036	-0.403185502905721	0.4	195	194.847295577928	0.15270442207219	6	0.4	1	2	14.9275314467846	14	0.9	22	0.5	196.068471335955	106373943.128201	273.479222578062	0	0	0	0	0	0	"Unambiguous"
+195.065107	554679263.095918	270.507513304539	"C10H10O4"	"O4"	"CHO"	10	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.05783054784	195.06518526036	-0.403283700419402	0.4	195	194.847295558893	0.152704441106891	6	0.4	1	2	14.9275314467846	14	0.9	22	0.5	196.068471335955	106373943.128201	273.479222578062	0	0	0	0	0	0	"Unambiguous"
+195.137881167072	565618703.1	606.215670575629	"C12H18O2"	"O2"	"CHO"	12	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.130604714912	195.13795627096	-0.386872992489332	0.39	195	194.91998846568	0.0800115343199934	4	0.166666666666667	1.5	2	14.9331292168308	14	0.9	26	0.7	196.141070519234	69154089.4500762	603.952934663437	0	0	0	0	0	0	"Unambiguous"
+195.137880437045	710101307.546852	517.349435527928	"C12H18O2"	"O2"	"CHO"	12	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.130603984885	195.13795627096	-0.390633488149104	0.39	195	194.919987736468	0.0800122635318417	4	0.166666666666667	1.5	2	14.9331292168308	14	0.9	26	0.7	196.141070519234	69154089.4500762	603.952934663437	0	0	0	0	0	0	"Unambiguous"
+195.137880797773	631880386.294728	552.485246041952	"C12H18O2"	"O2"	"CHO"	12	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.130604345613	195.13795627096	-0.388775315723594	0.39	195	194.919988096793	0.0800119032066391	4	0.166666666666667	1.5	2	14.9331292168308	14	0.9	26	0.7	196.141070519234	69154089.4500762	603.952934663437	0	0	0	0	0	0	"Unambiguous"
+197.095936886287	298575514.226402	719.614151854297	"C14H12O"	"O"	"CHO"	14	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.088660434127	197.09609145726	-0.788270839594224	0.79	197	196.875857802386	0.124142197613537	9	0.0714285714285714	0.857142857142857	8	15.0837550003923	15	1	30	0.4	198.099316239164	47346829.1434296	720.599812935957	0	0	0	0	0	0	"Unambiguous"
+197.117102086062	319343220.020026	569.56994290003	"C11H16O3"	"O3"	"CHO"	11	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.109825633902	197.11722082946	-0.605494383603471	0.61	197	196.89699936891	0.103000631089685	4	0.272727272727273	1.45454545454545	1	15.0853803367154	14	0.9	24	0.7	198.120642908004	35897295.2062584	503.129833851604	0	0	0	0	0	0	"Unambiguous"
+197.117101322122	526155100.687975	413.814222657438	"C11H16O3"	"O3"	"CHO"	11	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.109824869962	197.11722082946	-0.609389856239779	0.61	197	196.896998605823	0.103001394176658	4	0.272727272727273	1.45454545454545	1	15.0853803367154	14	0.9	24	0.7	198.120642908004	35897295.2062584	503.129833851604	0	0	0	0	0	0	"Unambiguous"
+199.096425978722	517978122.6243	385.44103013083	"C10H14O4"	"O4"	"CHO"	10	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.089149526562	199.09648538796	-0.299911621274023	0.3	199	198.874113130829	0.125886869170671	4	0.4	1.4	0	15.2376314566	14	0.9	22	0.6	200.099945817696	155233319.672852	126.125280141477	0	0	0	0	0	0	"Unambiguous"
+199.13262185615	159734280.484136	560.750476102437	"C11H18O3"	"O3"	"CHO"	11	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.12534540399	199.13287089326	-1.25696744900275	1.26	199	198.910268591617	0.0897314083827894	3	0.272727272727273	1.63636363636364	0	15.2404303416231	14	0.9	24	0.8	200.136035000942	63285139.0690291	405.451987824893	0	0	0	0	0	0	"Unambiguous"
+199.132998567627	353191359.577737	477.570723549422	"C11H18O3"	"O3"	"CHO"	11	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.125722115467	199.13287089326	0.644410860156509	0.64	199	198.910644882455	0.0893551175451819	3	0.272727272727273	1.63636363636364	0	15.2404303416231	14	0.9	24	0.8	200.136035000942	63285139.0690291	405.451987824893	0	0	0	0	0	0	"Unambiguous"
+201.1118374	257622023.304757	362.701357330802	"C10H16O4"	"O4"	"CHO"	10	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.10456094784	201.11213545176	-1.48948009266743	1.49	201	200.887274125709	0.112725874290533	3	0.4	1.6	-1	15.3926814615077	14	0.9	22	0.7	202.115229039964	138773592.10758	417.456139305044	0	0	0	0	0	0	"Unambiguous"
+201.11183742187	940241804.8	377.105826890684	"C10H16O4"	"O4"	"CHO"	10	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.10456096971	201.11213545176	-1.48937079967438	1.49	201	200.887274147555	0.112725852444953	3	0.4	1.6	-1	15.3926814615077	14	0.9	22	0.7	202.115229039964	138773592.10758	417.456139305044	0	0	0	0	0	0	"Unambiguous"
+201.11222133208	466995128.025934	538.228874712773	"C10H16O4"	"O4"	"CHO"	10	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.10494487992	201.11213545176	0.429176400672546	0.43	201	200.887657629087	0.112342370912529	3	0.4	1.6	-1	15.3926814615077	14	0.9	22	0.7	202.115229823306	47427257.8217949	528.087638789803	0	0	0	0	0	0	"Unambiguous"
+203.1067260631	113080302.084613	468.430444015414	"C13H14O2"	"O2"	"CHO"	13	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.09944961094	203.10665614336	0.34596699866528	0.35	203	202.879935278307	0.12006472169324	7	0.153846153846154	1.07692307692308	5	15.5461061300923	15	1	28	0.5	204.109470048704	60712701.9095301	505.8329671	0	0	0	0	0	0	"Unambiguous"
+203.127702568166	1501123781.16559	410.433972769598	"C10H18O4"	"O4"	"CHO"	10	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.120426116006	203.12778551556	-0.410386003955928	0.41	203	202.90088836082	0.0991116391802223	2	0.4	1.8	-2	15.5477314664154	14	0.9	22	0.8	204.130993041859	132060068.706236	406.85833822354	0	0	0	0	0	0	"Unambiguous"
+203.142875188634	283381120.368104	576.054018595304	"C14H18O"	"O"	"CHO"	14	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.135598736474	203.14304164866	-0.823506730237566	0.82	203	202.916044039404	0.0839559605957731	6	0.0714285714285714	1.28571428571429	5	15.5489050151154	15	1	30	0.6	204.146258334786	34565778.96	556.914923039991	0	0	0	0	0	0	"Unambiguous"
+203.179013842862	133670425.166155	692.731038156708	"C15H22"	""	"CH"	15	22	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.171737390702	203.17942715396	-2.04435646321903	2.04	203	202.952142340888	0.0478576591119406	5	0	1.46666666666667	5	15.5517039001385	15	1	32	0.7	204.18266549657	26503706.9011689	772.860711231118	0	0	0	0	0	0	"Unambiguous"
+203.179402855537	159983775.379249	751.124879933165	"C15H22"	""	"CH"	15	22	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.172126403377	203.17942715396	-0.120186810279724	0.12	203	202.952530919188	0.0474690808119647	5	0	1.46666666666667	5	15.5517039001385	15	1	32	0.7	204.18266549657	26503706.9011689	772.860711231118	0	0	0	0	0	0	"Unambiguous"
+205.122003913835	402090523.272683	467.921777438993	"C13H16O2"	"O2"	"CHO"	13	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.114727461675	205.12230620716	-1.48099712728122	1.48	205	204.89296285179	0.107037148210054	6	0.153846153846154	1.23076923076923	4	15.701156135	15	1	28	0.6	206.12620290519	128067750.648849	551.833168531621	0	0	0	0	0	0	"Unambiguous"
+207.101395772749	424212845.614886	447.376430508267	"C12H14O3"	"O3"	"CHO"	12	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.094119320589	207.10157076566	-0.849092208890714	0.85	207	206.870144504071	0.12985549592878	6	0.25	1.16666666666667	3	15.8534072548846	15	0.9	26	0.5	208.104874940592	34550128.6298984	394.859832508461	0	0	0	0	0	0	"Unambiguous"
+207.101396575707	428075350.644423	543.862295186498	"C12H14O3"	"O3"	"CHO"	12	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.094120123547	207.10157076566	-0.845196131173972	0.85	207	206.870145306133	0.129854693867344	6	0.25	1.16666666666667	3	15.8534072548846	15	0.9	26	0.5	208.104874940592	34550128.6298984	394.859832508461	0	0	0	0	0	0	"Unambiguous"
+207.137796217721	157577490.658474	591.992123025155	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.130519765561	207.13795627096	-0.776465509241761	0.78	207	206.906504303981	0.0934956960188345	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	208.140734794865	83949489.12	587.796837169715	0	0	0	0	0	0	"Unambiguous"
+207.137795825512	194845389.927952	560.333453166084	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.130519373352	207.13795627096	-0.778368232305629	0.78	207	206.90650391221	0.0934960877898732	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	208.140734794865	83949489.12	587.796837169715	0	0	0	0	0	0	"Unambiguous"
+207.13779459501	190072694.350724	351.988700413394	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.13051814285	207.13795627096	-0.784337765407773	0.78	207	206.906502683082	0.0934973169178761	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	208.140734794865	83949489.12	587.796837169715	0	0	0	0	0	0	"Unambiguous"
+207.173806140478	163569628.795318	778.8869897	"C14H22O"	"O"	"CHO"	14	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.166529688318	207.17434177626	-2.59807342545042	2.6	207	206.942474017737	0.0575259822632574	4	0.0714285714285714	1.57142857142857	3	15.8590050249308	15	0.9	30	0.7	208.177811876354	23805516.3337668	664.791621147696	0	0	0	0	0	0	"Unambiguous"
+209.059679718072	442782859.150468	622.211489634677	"C14H8O2"	"O2"	"CHO"	14	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.052403265912	209.05970595196	-0.126092693936248	0.13	209	208.826241812046	0.173758187953609	11	0.142857142857143	0.571428571428571	9	16.0040330384462	16	1	30	0.3	210.062734721034	51251401.68	622.435670766431	0	0	0	0	0	0	"Unambiguous"
+209.080771734896	153515160.56074	297.98269196744	"C11H12O4"	"O4"	"CHO"	11	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.073495282736	209.08083532416	-0.305609630528703	0.31	209	208.847310277336	0.152689722664036	6	0.363636363636364	1.09090909090909	2	16.0056583747692	15	0.9	24	0.5	210.083979167979	90008117.2842227	385.861538841042	0	0	0	0	0	0	"Unambiguous"
+209.080771735071	250942155.186578	336.558580240817	"C11H12O4"	"O4"	"CHO"	11	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.073495282911	209.08083532416	-0.30560878937909	0.31	209	208.847310277511	0.152689722489214	6	0.363636363636364	1.09090909090909	2	16.0056583747692	15	0.9	24	0.5	210.083979167979	90008117.2842227	385.861538841042	0	0	0	0	0	0	"Unambiguous"
+209.080772175221	372738580.21398	383.398655216091	"C11H12O4"	"O4"	"CHO"	11	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.073495723061	209.08083532416	-0.303493430465505	0.3	209	208.847310717169	0.152689282830693	6	0.363636363636364	1.09090909090909	2	16.0056583747692	15	0.9	24	0.5	210.083979167979	90008117.2842227	385.861538841042	0	0	0	0	0	0	"Unambiguous"
+209.116883794103	577763223.412515	479.792893436971	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.109607341943	209.11722082946	-1.61950887953223	1.62	209	208.883382013495	0.116617986504963	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120351012317	285260877.643606	471.581814248998	0	0	0	0	0	0	"Unambiguous"
+209.117289585659	568698092.464528	504.4511806735	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.110013133499	209.11722082946	0.330383905915415	0.33	209	208.883787351941	0.116212648059445	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120352607852	45462004.6601107	751.348305	0	0	0	0	0	0	"Unambiguous"
+209.117288729704	497755825.867009	388.088375702388	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.110012277544	209.11722082946	0.326270914417152	0.33	209	208.883786496941	0.116213503058674	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120352607852	45462004.6601107	751.348305	0	0	0	0	0	0	"Unambiguous"
+209.117290780975	126955234.156451	684.65641730963	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.110014328815	209.11722082946	0.336127577653482	0.34	209	208.883788545922	0.116211454078126	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120352607852	45462004.6601107	751.348305	0	0	0	0	0	0	"Unambiguous"
+211.096482949109	380888004.127171	533.5328287	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.089206496949	211.09648538796	-0.0116086449140014	0.01	211	210.8607707304	0.139229269600349	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	212.100156161221	116039661.895991	540.7818394	0	0	0	0	0	0	"Unambiguous"
+283.117144416716	443461565.382374	584.28664140093	"C14H18O6"	"O6"	"CHO"	14	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.109867964556	283.11761476016	-1.66723499399436	1.67	283	282.801013284009	0.198986715990827	6	0.428571428571429	1.28571428571429	0	21.7007952544615	20	0.9	30	0.6	284.120866323344	38035541.8573837	605.417727071558	0	0	0	0	0	0	"Unambiguous"
+211.132705524301	952897865.671921	546.622372098081	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.125429072141	211.13287089326	-0.787001172199345	0.79	211	210.896952859141	0.103047140859417	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+211.132704705894	259797744.482993	447.97009873079	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.125428253734	211.13287089326	-0.790896025094065	0.79	211	210.896952041647	0.103047958352562	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+211.132704705632	606234675.163047	433.9357231	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.125428253472	211.13287089326	-0.790897272063309	0.79	211	210.896952041386	0.103047958614269	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+211.13270513386	979345518.098293	491.362727779932	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.1254286817	211.13287089326	-0.788859306772271	0.79	211	210.896952469136	0.103047530864444	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+213.111838165792	256425835.41697	383.59742081807	"C11H16O4"	"O4"	"CHO"	11	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.104561713632	213.11213545176	-1.4016010103743	1.4	213	212.873875583443	0.12612441655665	4	0.363636363636364	1.45454545454545	0	16.3157583845846	15	0.9	24	0.7	214.11522043461	21835123.1925668	402.435970678154	0	0	0	0	0	0	"Unambiguous"
+213.111838606061	369287455.442981	451.465139966507	"C11H16O4"	"O4"	"CHO"	11	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.104562153901	213.11213545176	-1.39952529058745	1.4	213	212.873876023221	0.12612397677924	4	0.363636363636364	1.45454545454545	0	16.3157583845846	15	0.9	24	0.7	214.11522043461	21835123.1925668	402.435970678154	0	0	0	0	0	0	"Unambiguous"
+213.111839432109	102876337.353491	563.203578979673	"C11H16O4"	"O4"	"CHO"	11	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.104562979949	213.11213545176	-1.39563075320022	1.4	213	212.873876848346	0.126123151653616	4	0.363636363636364	1.45454545454545	0	16.3157583845846	15	0.9	24	0.7	214.11522043461	21835123.1925668	402.435970678154	0	0	0	0	0	0	"Unambiguous"
+213.14816441353	402604685.5	551.015286906425	"C12H20O3"	"O3"	"CHO"	12	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.14088796137	213.14852095706	-1.68069217322399	1.68	213	212.910161268969	0.0898387310313922	3	0.25	1.66666666666667	0	16.3185572696077	15	0.9	26	0.8	214.151803145384	231430979.134983	315.936221089062	0	0	0	0	0	0	"Unambiguous"
+215.091435562605	120984570.329674	399.568320184562	"C10H14O5"	"O5"	"CHO"	10	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.084159110445	215.09140001026	0.166067144682756	0.17	215	214.851262544118	0.148737455881815	4	0.5	1.4	-1	16.4680095044692	15	0.9	22	0.6	216.094353134451	45232626.7770325	262.797829286178	0	0	0	0	0	0	"Unambiguous"
+215.091434679221	176597817.432248	281.464388588087	"C10H14O5"	"O5"	"CHO"	10	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.084158227061	215.09140001026	0.161940805533831	0.16	215	214.851261661721	0.148738338279429	4	0.5	1.4	-1	16.4680095044692	15	0.9	22	0.6	216.094353134451	45232626.7770325	262.797829286178	0	0	0	0	0	0	"Unambiguous"
+215.127422324474	364402262.801052	568.9799075	"C11H18O4"	"O4"	"CHO"	11	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.120145872314	215.12778551556	-1.69620230976174	1.7	215	214.887209122847	0.112790877152634	3	0.363636363636364	1.63636363636364	-1	16.4708083894923	15	0.9	24	0.8	216.131018714028	46289362.5356973	569.2370733	0	0	0	0	0	0	"Unambiguous"
+215.127844902766	322536606.009207	459.92078759791	"C11H18O4"	"O4"	"CHO"	11	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.120568450606	215.12778551556	0.277354046010034	0.28	215	214.887631229285	0.112368770715335	3	0.363636363636364	1.63636363636364	-1	16.4708083894923	15	0.9	24	0.8	216.131018714086	49983568.3243955	536.0999976	0	0	0	0	0	0	"Unambiguous"
+217.121904200937	261696479.708267	483.934822327262	"C14H16O2"	"O2"	"CHO"	14	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.114627748777	217.12230620716	-1.86015276793603	1.86	217	216.879463943029	0.120536056970764	7	0.142857142857143	1.14285714285714	5	16.6242330580769	16	1	30	0.5	218.124808268872	79923095.8091652	604.185658700547	0	0	0	0	0	0	"Unambiguous"
+217.143371475381	373320204.361832	494.962712887004	"C11H20O4"	"O4"	"CHO"	11	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.136095023221	217.14343557936	-0.29659080778257	0.3	217	216.900907246923	0.0990927530771728	2	0.363636363636364	1.81818181818182	-2	16.6258583944	15	0.9	24	0.8	218.146855998181	32359639.0163982	495.624864231743	0	0	0	0	0	0	"Unambiguous"
+217.143371876555	100151094.65069	565.044227191178	"C11H20O4"	"O4"	"CHO"	11	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.136095424395	217.14343557936	-0.294734689719547	0.29	217	216.900907647649	0.0990923523511356	2	0.363636363636364	1.81818181818182	-2	16.6258583944	15	0.9	24	0.8	218.146855998181	32359639.0163982	495.624864231743	0	0	0	0	0	0	"Unambiguous"
+217.143371475672	79381704.3684601	490.049602807114	"C11H20O4"	"O4"	"CHO"	11	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.136095023512	217.14343557936	-0.296589461362533	0.3	217	216.900907247213	0.099092752786504	2	0.363636363636364	1.81818181818182	-2	16.6258583944	15	0.9	24	0.8	218.146855998181	32359639.0163982	495.624864231743	0	0	0	0	0	0	"Unambiguous"
+219.122487266959	61018746.2410981	417.709565577367	"C10H18O5"	"O5"	"CHO"	10	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.115210814799	219.12270013786	-0.975956239628398	0.98	219	218.877813140127	0.122186859872642	2	0.5	1.8	-3	16.7781095142846	15	0.9	22	0.8	220.125713374942	21483942.9119297	417.302069642161	0	0	0	0	0	0	"Unambiguous"
+219.122486353046	125448803.785966	295.110526218009	"C10H18O5"	"O5"	"CHO"	10	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.115209900886	219.12270013786	-0.980146290798909	0.98	219	218.877812227235	0.122187772765159	2	0.5	1.8	-3	16.7781095142846	15	0.9	22	0.8	220.125713374942	21483942.9119297	417.302069642161	0	0	0	0	0	0	"Unambiguous"
+219.137723042578	798267028.720002	568.306650824725	"C14H18O2"	"O2"	"CHO"	14	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.130446590418	219.13795627096	-1.06921516755956	1.07	219	218.893031903343	0.106968096656828	6	0.142857142857143	1.28571428571429	4	16.7792830629846	16	1	30	0.6	220.141054319729	28094604.9967436	629.408585296963	0	0	0	0	0	0	"Unambiguous"
+219.137723457462	142930545.803395	629.159432504917	"C14H18O2"	"O2"	"CHO"	14	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.130447005302	219.13795627096	-1.06731316603501	1.07	219	218.893032317764	0.106967682236103	6	0.142857142857143	1.28571428571429	4	16.7792830629846	16	1	30	0.6	220.141054319729	28094604.9967436	629.408585296963	0	0	0	0	0	0	"Unambiguous"
+221.116873599366	599974264.001122	126.124646415335	"C13H16O3"	"O3"	"CHO"	13	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.109597147206	221.11722082946	-1.57753273145686	1.58	221	220.869972522939	0.130027477061446	6	0.230769230769231	1.23076923076923	3	16.9315341828692	16	0.9	28	0.6	222.120958019435	76037178.1674066	446.472543964953	0	0	0	0	0	0	"Unambiguous"
+223.075114838962	369321110.808568	1316.73557732606	"C15H10O2"	"O2"	"CHO"	15	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.067838386802	223.07535601576	-1.08605009960605	1.09	223	222.826027172872	0.17397282712767	11	0.133333333333333	0.666666666666667	9	17.0821599664308	17	1	32	0.3	224.078179612933	48067598.2398847	1291.30607617515	0	0	0	0	0	0	"Unambiguous"
+223.074691790747	1537341883.97865	286.090618560433	"C15H10O2"	"O2"	"CHO"	15	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.067415338587	223.07535601576	-2.99109624878722	2.99	223	222.825604597037	0.174395402963256	11	0.133333333333333	0.666666666666667	9	17.0821599664308	17	1	32	0.3	224.078179612933	48067598.2398847	1291.30607617515	0	0	0	0	0	0	"Unambiguous"
+223.09612279522	217207972.7	430.1608997	"C12H14O4"	"O4"	"CHO"	12	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.08884634306	223.09648538796	-1.63264723093578	1.63	223	222.847011671459	0.152988328541312	6	0.333333333333333	1.16666666666667	2	17.0837853027538	16	0.9	26	0.5	224.09977999784	117259428.793077	351.807599815673	0	0	0	0	0	0	"Unambiguous"
+223.09656948894	336141587.056634	387.715369201086	"C12H14O4"	"O4"	"CHO"	12	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.08929303678	223.09648538796	0.378680929818488	0.38	223	222.847457866396	0.152542133603532	6	0.333333333333333	1.16666666666667	2	17.0837853027538	16	0.9	26	0.5	224.09977999784	117259428.793077	351.807599815673	0	0	0	0	0	0	"Unambiguous"
+223.132794410047	465607637.513339	512.5560509	"C13H18O3"	"O3"	"CHO"	13	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.125517957887	223.13287089326	-0.344324297730749	0.34	223	222.883642338433	0.116357661567037	5	0.230769230769231	1.38461538461538	2	17.0865841877769	16	0.9	28	0.6	224.136699374646	172473903.621239	477.268029954764	0	0	0	0	0	0	"Unambiguous"
+223.169028517018	1086806606.66652	687.057389855945	"C14H22O2"	"O2"	"CHO"	14	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.161752064858	223.16925639856	-1.02574606062783	1.03	223	222.919835986076	0.0801640139235928	4	0.142857142857143	1.57142857142857	2	17.0893830728	16	0.9	30	0.7	224.17227796171	195363600.938501	653.832443334393	0	0	0	0	0	0	"Unambiguous"
+223.1690289	424645731	727.394929582039	"C14H22O2"	"O2"	"CHO"	14	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.16175244784	223.16925639856	-1.02402217078998	1.02	223	222.919836368631	0.0801636313692313	4	0.142857142857143	1.57142857142857	2	17.0893830728	16	0.9	30	0.7	224.17227796171	195363600.938501	653.832443334393	0	0	0	0	0	0	"Unambiguous"
+225.112038668167	575257772.897549	396.874135472753	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.104762216007	225.11213545176	-0.431867632071364	0.43	225	224.860676554733	0.139323445267394	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	226.115658150381	147540520.715243	442.141381355271	0	0	0	0	0	0	"Unambiguous"
+225.112039589733	560482322.390251	486.852506484683	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.104763137573	225.11213545176	-0.427755419623417	0.43	225	224.86067747527	0.139322524730431	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	226.115658150381	147540520.715243	442.141381355271	0	0	0	0	0	0	"Unambiguous"
+227.091098725041	341265557.988275	398.599979945505	"C11H14O5"	"O5"	"CHO"	11	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.083822272881	227.09140001026	-1.33262617350545	1.33	227	226.837526775467	0.162473224533016	5	0.454545454545455	1.27272727272727	0	17.3910864275462	16	0.9	24	0.6	228.094590287305	88773603.7629491	397.072750480734	0	0	0	0	0	0	"Unambiguous"
+227.0910997	237794143.111135	502.751647219184	"C11H14O5"	"O5"	"CHO"	11	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.08382324784	227.09140001026	-1.32831378936939	1.33	227	226.837527749337	0.16247225066266	5	0.454545454545455	1.27272727272727	0	17.3910864275462	16	0.9	24	0.6	228.094590287305	88773603.7629491	397.072750480734	0	0	0	0	0	0	"Unambiguous"
+227.091557943633	1771354968.59584	390.8966209	"C11H14O5"	"O5"	"CHO"	11	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.084281491473	227.09140001026	0.698559722905346	0.7	227	226.837985481291	0.162014518708588	5	0.454545454545455	1.27272727272727	0	17.3910864275462	16	0.9	24	0.6	228.094590287305	88773603.7629491	397.072750480734	0	0	0	0	0	0	"Unambiguous"
+227.127878381111	756405933.627857	516.764031262497	"C12H18O4"	"O4"	"CHO"	12	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.120601928951	227.12778551556	0.410690358236463	0.41	227	226.874265363044	0.125734636955542	4	0.333333333333333	1.5	0	17.3938853125692	16	0.9	26	0.7	228.131137648228	233861182.153429	472.31594417426	0	0	0	0	0	0	"Unambiguous"
+227.127382267807	1736502024.78627	483.557496771156	"C12H18O4"	"O4"	"CHO"	12	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.120105815647	227.12778551556	-1.78333435467914	1.78	227	226.873769803705	0.126230196295012	4	0.333333333333333	1.5	0	17.3938853125692	16	0.9	26	0.7	228.131137648228	233861182.153429	472.31594417426	0	0	0	0	0	0	"Unambiguous"
+229.143400253673	564408428.366636	468.145920404257	"C12H20O4"	"O4"	"CHO"	12	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.136123801513	229.14343557936	-0.154844776091731	0.15	229	228.887536685878	0.112463314122294	3	0.333333333333333	1.66666666666667	-1	17.5489353174769	16	0.9	26	0.8	230.146953774896	66260730.4351939	546.526716087939	0	0	0	0	0	0	"Unambiguous"
+229.143401110495	212471690.426383	620.693822928112	"C12H20O4"	"O4"	"CHO"	12	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.136124658335	229.14343557936	-0.151089026614534	0.15	229	228.887537541743	0.112462458257028	3	0.333333333333333	1.66666666666667	-1	17.5489353174769	16	0.9	26	0.8	230.146953774896	66260730.4351939	546.526716087939	0	0	0	0	0	0	"Unambiguous"
+229.143400253236	1243649593.80114	493.481628040853	"C12H20O4"	"O4"	"CHO"	12	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.136123801076	229.14343557936	-0.154846691668556	0.15	229	228.887536685441	0.112463314558823	3	0.333333333333333	1.66666666666667	-1	17.5489353174769	16	0.9	26	0.8	230.146953774896	66260730.4351939	546.526716087939	0	0	0	0	0	0	"Unambiguous"
+231.138251377798	237397642.22715	610.106066121074	"C15H18O2"	"O2"	"CHO"	15	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.130974925638	231.13795627096	1.28234297064746	1.28	231	230.880160341416	0.119839658583658	7	0.133333333333333	1.2	5	17.7023599860615	17	1	32	0.6	232.141187744448	53464066.6976189	633.275741800842	0	0	0	0	0	0	"Unambiguous"
+231.159000500937	414523543.237681	527.943566113733	"C12H22O4"	"O4"	"CHO"	12	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.151724048777	231.15908564316	-0.369939540388151	0.37	231	230.900886295899	0.0991137041009438	2	0.333333333333333	1.83333333333333	-2	17.7039853223846	16	0.9	26	0.8	232.16207296497	22896274.8977383	659.505233202043	0	0	0	0	0	0	"Unambiguous"
+231.159000073417	534113303.089122	509.580590707142	"C12H22O4"	"O4"	"CHO"	12	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.151723621257	231.15908564316	-0.371797098343318	0.37	231	230.900885868856	0.0991141311435513	2	0.333333333333333	1.83333333333333	-2	17.7039853223846	16	0.9	26	0.8	232.16207296497	22896274.8977383	659.505233202043	0	0	0	0	0	0	"Unambiguous"
+231.15900139472	174625151.587251	661.136279833744	"C12H22O4"	"O4"	"CHO"	12	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.15172494256	231.15908564316	-0.366056087673911	0.37	231	230.900887188684	0.0991128113159334	2	0.333333333333333	1.83333333333333	-2	17.7039853223846	16	0.9	26	0.8	232.16207296497	22896274.8977383	659.505233202043	0	0	0	0	0	0	"Unambiguous"
+233.117227402223	581830230.564482	586.886487189075	"C14H16O3"	"O3"	"CHO"	14	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.109950950063	233.11722082946	0.0283174546022451	0.03	233	232.856926623533	0.143073376466901	7	0.214285714285714	1.14285714285714	4	17.8546111059462	17	1	30	0.5	234.120588943507	157361675.35772	582.505616514467	0	0	0	0	0	0	"Unambiguous"
+233.1530547	250267509.453295	620.309660231013	"C15H20O2"	"O2"	"CHO"	15	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.14577824784	233.15360633476	-2.37624291152012	2.38	233	232.892713916229	0.107286083770646	6	0.133333333333333	1.33333333333333	4	17.8574099909692	17	1	32	0.6	234.156164726288	25954922.9825492	558.357451463343	0	0	0	0	0	0	"Unambiguous"
+235.132859580415	339219570.310063	591.737792779042	"C14H18O3"	"O3"	"CHO"	14	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.125583128255	235.13287089326	-0.0483195593267931	0.05	235	234.870308128828	0.1296918711719	6	0.214285714285714	1.28571428571429	3	18.0096611108538	17	0.9	30	0.6	236.136126311307	175257460.728537	565.762183524786	0	0	0	0	0	0	"Unambiguous"
+235.132859135384	458672862.594474	546.77651048606	"C14H18O3"	"O3"	"CHO"	14	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.125582683224	235.13287089326	-0.0502203811336931	0.05	235	234.870307684294	0.129692315705967	6	0.214285714285714	1.28571428571429	3	18.0096611108538	17	0.9	30	0.6	236.136126311307	175257460.728537	565.762183524786	0	0	0	0	0	0	"Unambiguous"
+235.132374876127	458300072.15752	479.666804533315	"C14H18O3"	"O3"	"CHO"	14	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.125098423967	235.13287089326	-2.11859871641958	2.12	235	234.869823965765	0.130176034234751	6	0.214285714285714	1.28571428571429	3	18.0096611108538	17	0.9	30	0.6	236.136126311307	175257460.728537	565.762183524786	0	0	0	0	0	0	"Unambiguous"
+235.169150733663	434140757.473997	620.790231041246	"C15H22O2"	"O2"	"CHO"	15	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.161874281503	235.16925639856	-0.451247229424445	0.45	235	234.90655875905	0.0934412409498009	5	0.133333333333333	1.46666666666667	3	18.0124599958769	17	0.9	32	0.7	236.172650875728	26745220.3721853	627.240820631383	0	0	0	0	0	0	"Unambiguous"
+235.169150288447	180099870.762432	565.638485986743	"C15H22O2"	"O2"	"CHO"	15	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.161873836287	235.16925639856	-0.453148547440606	0.45	235	234.906558314331	0.0934416856686653	5	0.133333333333333	1.46666666666667	3	18.0124599958769	17	0.9	32	0.7	236.172650875728	26745220.3721853	627.240820631383	0	0	0	0	0	0	"Unambiguous"
+237.111528356828	182593981.287587	452.47264370071	"C13H16O4"	"O4"	"CHO"	13	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.104251904668	237.11213545176	-2.57130029260439	2.57	237	236.846767506009	0.153232493991226	6	0.307692307692308	1.23076923076923	2	18.1619122307385	17	0.9	28	0.6	238.115175445505	20532496.7477637	757.932664498796	0	0	0	0	0	0	"Unambiguous"
+237.112019670828	43580873.3257157	602.637547541149	"C13H16O4"	"O4"	"CHO"	13	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.104743218668	237.11213545176	-0.490379525687117	0.49	237	236.847258271403	0.152741728596823	6	0.307692307692308	1.23076923076923	2	18.1619122307385	17	0.9	28	0.6	238.115175445505	20532496.7477637	757.932664498796	0	0	0	0	0	0	"Unambiguous"
+237.112020584482	192602963.517426	758.025571126129	"C13H16O4"	"O4"	"CHO"	13	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.104744132322	237.11213545176	-0.48650982606304	0.49	237	236.847259184037	0.152740815963028	6	0.307692307692308	1.23076923076923	2	18.1619122307385	17	0.9	28	0.6	238.115175445505	20532496.7477637	757.932664498796	0	0	0	0	0	0	"Unambiguous"
+237.112018303045	144129486.03793	432.554855691536	"C13H16O4"	"O4"	"CHO"	13	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.104741850885	237.11213545176	-0.496172648094404	0.5	237	236.847256905147	0.152743094852553	6	0.307692307692308	1.23076923076923	2	18.1619122307385	17	0.9	28	0.6	238.115175445505	20532496.7477637	757.932664498796	0	0	0	0	0	0	"Unambiguous"
+237.148279500834	1334268159.7447	581.354739068333	"C14H20O3"	"O3"	"CHO"	14	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.141003048674	237.14852095706	-1.02250868290485	1.02	237	236.883477613359	0.116522386640924	5	0.214285714285714	1.42857142857143	2	18.1647111157615	17	0.9	30	0.7	238.151171996838	325538564.298994	613.042950332841	0	0	0	0	0	0	"Unambiguous"
+237.184549014468	443940992.773053	642.9363741	"C15H24O2"	"O2"	"CHO"	15	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.177272562308	237.18490646236	-1.51347285933283	1.51	237	236.91970662813	0.0802933718698853	4	0.133333333333333	1.6	2	18.1675100007846	17	0.9	32	0.8	238.187671383933	22776951.8277788	677.748399800542	0	0	0	0	0	0	"Unambiguous"
+239.127684826415	486102792.19533	469.055430869911	"C13H18O4"	"O4"	"CHO"	13	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.120408374255	239.12778551556	-0.422849707372138	0.42	239	238.86067271727	0.139327282729681	5	0.307692307692308	1.38461538461538	1	18.3169622356462	17	0.9	28	0.6	240.131188700827	127012279.738338	473.957740538802	0	0	0	0	0	0	"Unambiguous"
+239.16391307677	1697609722	565.29760615897	"C14H22O3"	"O3"	"CHO"	14	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.15663662461	239.16417102086	-1.08308587854225	1.08	239	238.896860514837	0.103139485162671	4	0.214285714285714	1.57142857142857	1	18.3197611206692	17	0.9	30	0.7	240.167145765471	97915079.6515889	639.028499519372	0	0	0	0	0	0	"Unambiguous"
+241.085758897611	192739440.76694	622.229932418977	"C15H12O3"	"O3"	"CHO"	15	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.078482445451	241.08592070186	-0.673963977819916	0.67	241	240.816560385466	0.183439614534194	10	0.2	0.8	7	18.4675880192077	18	1	32	0.4	242.088989326869	22392646.5566887	622.4309398	0	0	0	0	0	0	"Unambiguous"
+241.106353265099	125473026.312602	393.659221	"C12H16O5"	"O5"	"CHO"	12	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.099076812939	241.10705007406	-2.90217259582655	2.9	241	240.837131757099	0.162868242900913	5	0.416666666666667	1.33333333333333	0	18.4692133555308	17	0.9	26	0.6	242.109712383568	21010878.264275	400.8752484	0	0	0	0	0	0	"Unambiguous"
+241.106856632069	288852437.892943	479.763302935677	"C12H16O5"	"O5"	"CHO"	12	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.099580179909	241.10705007406	-0.805674007661804	0.81	241	240.837634562005	0.162365437994964	5	0.416666666666667	1.33333333333333	0	18.4692133555308	17	0.9	26	0.6	242.110218893785	26982474.5547175	479.483934638972	0	0	0	0	0	0	"Unambiguous"
+241.106857077716	46209228.0793205	547.1750282	"C12H16O5"	"O5"	"CHO"	12	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.099580625556	241.10705007406	-0.803817913779303	0.8	241	240.837635007154	0.162364992845568	5	0.416666666666667	1.33333333333333	0	18.4692133555308	17	0.9	26	0.6	242.110218893785	26982474.5547175	479.483934638972	0	0	0	0	0	0	"Unambiguous"
+241.106855645591	105230987.396154	364.937787508294	"C12H16O5"	"O5"	"CHO"	12	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.099579193431	241.10705007406	-0.809782631249672	0.81	241	240.837633576629	0.162366423371452	5	0.416666666666667	1.33333333333333	0	18.4692133555308	17	0.9	26	0.6	242.110218893785	26982474.5547175	479.483934638972	0	0	0	0	0	0	"Unambiguous"
+241.143534662207	738506528.060686	514.924449997774	"C13H20O4"	"O4"	"CHO"	13	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.136258210047	241.14343557936	0.41261093899451	0.41	241	240.874271637127	0.125728362873076	4	0.307692307692308	1.53846153846154	0	18.4720122405538	17	0.9	28	0.7	242.1471261	78122059.6453359	507.444820926998	0	0	0	0	0	0	"Unambiguous"
+241.179719830955	179647321.21814	688.998404324037	"C14H24O3"	"O3"	"CHO"	14	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.172443378795	241.17982108466	-0.421587520919985	0.42	241	240.910416401192	0.0895835988077636	3	0.214285714285714	1.71428571428571	0	18.4748111255769	17	0.9	30	0.8	242.182525450987	35668668.1399808	597.505418200907	0	0	0	0	0	0	"Unambiguous"
+241.179216290616	97130852.6769282	568.54751057257	"C14H24O3"	"O3"	"CHO"	14	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.171939838456	241.17982108466	-2.51817112524035	2.52	241	240.909913423111	0.0900865768891208	3	0.214285714285714	1.71428571428571	0	18.4748111255769	17	0.9	30	0.8	242.182525450987	35668668.1399808	597.505418200907	0	0	0	0	0	0	"Unambiguous"
+241.179719354861	333370051.738289	605.63648494503	"C14H24O3"	"O3"	"CHO"	14	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.172442902701	241.17982108466	-0.423569822514322	0.42	241	240.91041592563	0.0895840743701797	3	0.214285714285714	1.71428571428571	0	18.4748111255769	17	0.9	30	0.8	242.182525450987	35668668.1399808	597.505418200907	0	0	0	0	0	0	"Unambiguous"
+243.122934131316	602922688.46571	475.889808427478	"C12H18O5"	"O5"	"CHO"	12	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.115657679156	243.12270013786	0.966453216054428	0.97	243	242.851460891106	0.148539108894454	4	0.416666666666667	1.5	-1	18.6242633604385	17	0.9	26	0.7	244.126123958602	48455261.3988415	482.918964889935	0	0	0	0	0	0	"Unambiguous"
+243.122424442083	623185233.877111	396.627739439865	"C12H18O5"	"O5"	"CHO"	12	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.115147989923	243.12270013786	-1.13869693512476	1.14	243	242.850951770996	0.149048229003881	4	0.416666666666667	1.5	-1	18.6242633604385	17	0.9	26	0.7	244.126123958602	48455261.3988415	482.918964889935	0	0	0	0	0	0	"Unambiguous"
+243.159055063238	797269832.160347	557.775717628501	"C13H22O4"	"O4"	"CHO"	13	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.151778611078	243.15908564316	-0.126284110738758	0.13	243	242.887541490072	0.112458509927706	3	0.307692307692308	1.69230769230769	-1	18.6270622454615	17	0.9	28	0.8	244.1624692	52813814.2842618	518.711172401802	0	0	0	0	0	0	"Unambiguous"
+245.09536624038	1410775456.60631	204.316379629953	"C18H12O"	"O"	"CHO"	18	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.08808978822	245.09609145726	-2.971127680292	2.97	245	244.821690564856	0.178309435144286	13	0.0555555555555556	0.666666666666667	12	18.7760626927	19	1	38	0.3	246.098449873408	121610947.245621	203.820696481707	0	0	0	0	0	0	"Unambiguous"
+245.138110912594	914142654.075268	521.291013218973	"C12H20O5"	"O5"	"CHO"	12	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.130834460434	245.13835020166	-0.980167321062769	0.98	245	244.864387507987	0.135612492013166	3	0.416666666666667	1.66666666666667	-2	18.7793133653462	17	0.9	26	0.8	246.141375042592	156320728.590597	520.832783106275	0	0	0	0	0	0	"Unambiguous"
+245.138110912711	1016810606.80787	471.352321947686	"C12H20O5"	"O5"	"CHO"	12	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.130834460551	245.13835020166	-0.980166841761199	0.98	245	244.864387508104	0.135612491896296	3	0.416666666666667	1.66666666666667	-2	18.7793133653462	17	0.9	26	0.8	246.141375042592	156320728.590597	520.832783106275	0	0	0	0	0	0	"Unambiguous"
+247.153417281641	397045300.3	429.661411875162	"C12H22O5"	"O5"	"CHO"	12	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.146140829481	247.15400026546	-2.36844590392783	2.37	247	246.877443567938	0.122556432061742	2	0.416666666666667	1.83333333333333	-3	18.9343633702538	17	0.9	26	0.8	248.157026298454	182769477.81301	510.729883636566	0	0	0	0	0	0	"Unambiguous"
+249.075478055657	210665589.403899	368.116542908621	"C13H12O5"	"O5"	"CHO"	13	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.068201603497	249.07574994646	-1.09603246713156	1.1	249	248.797358151723	0.202641848276926	8	0.384615384615385	0.923076923076923	3	19.0821902687923	18	0.9	28	0.4	250.078091776384	66706214.9403782	376.512218872566	0	0	0	0	0	0	"Unambiguous"
+249.111880458264	88093197.6472772	548.24221	"C14H16O4"	"O4"	"CHO"	14	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.104604006104	249.11213545176	-1.02776607877711	1.03	249	248.833719907082	0.166280092917845	7	0.285714285714286	1.14285714285714	3	19.0849891538154	18	0.9	30	0.5	250.11524500073	26505352.3916529	555.489579546749	0	0	0	0	0	0	"Unambiguous"
+249.111879997877	66495186.8570061	508.436744094976	"C14H16O4"	"O4"	"CHO"	14	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.104603545717	249.11213545176	-1.02962169725591	1.03	249	248.833719447209	0.166280552790795	7	0.285714285714286	1.14285714285714	3	19.0849891538154	18	0.9	30	0.5	250.11524500073	26505352.3916529	555.489579546749	0	0	0	0	0	0	"Unambiguous"
+249.184706718958	237386249.1	633.945345149303	"C16H24O2"	"O2"	"CHO"	16	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.177430266798	249.18490646236	-0.804841124263239	0.8	249	248.906464849323	0.0935351506771269	5	0.125	1.5	3	19.0905869238615	18	0.9	34	0.7	250.187982175617	28692749.1713585	777.331353944728	0	0	0	0	0	0	"Unambiguous"
+249.184708192318	135382521.650545	777.4562529	"C16H24O2"	"O2"	"CHO"	16	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.177431740158	249.18490646236	-0.798904399225861	0.8	249	248.906466321038	0.0935336789623307	5	0.125	1.5	3	19.0905869238615	18	0.9	34	0.7	250.187982175617	28692749.1713585	777.331353944728	0	0	0	0	0	0	"Unambiguous"
+251.07022698547	181921523.042685	1029.92641411403	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.06295053331	251.07027063806	-0.174566403897916	0.17	251	250.789879727061	0.210120272939207	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+251.07022746611	148109951.382371	1112.40566460904	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.06295101395	251.07027063806	-0.172644327503547	0.17	251	250.789880207164	0.210119792835883	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+251.07022978286	453647203.406834	1319.18346466905	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.0629533307	251.07027063806	-0.163379658874828	0.16	251	250.789882521327	0.210117478672771	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+251.070224539155	208192177.830468	747.568686924345	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.062948086995	251.07027063806	-0.184349202348827	0.18	251	250.789877283477	0.210122716522619	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+251.070226500788	466460348.57987	961.6852066	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.062950048628	251.07027063806	-0.176504644092421	0.18	251	250.78987924292	0.210120757079977	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+251.127888348775	337907035.7	589.923095102017	"C14H18O4"	"O4"	"CHO"	14	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.120611896615	251.12778551556	0.411134509188024	0.41	251	250.847476705172	0.152523294827574	6	0.285714285714286	1.28571428571429	2	19.2400391587231	18	0.9	30	0.6	252.130576939025	93611419.6310876	751.401632021978	0	0	0	0	0	0	"Unambiguous"
+251.1273553	694959353.842077	751.243763024094	"C14H18O4"	"O4"	"CHO"	14	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.12007884784	251.12778551556	-1.72003608014639	1.72	251	250.846944251604	0.153055748395559	6	0.285714285714286	1.28571428571429	2	19.2400391587231	18	0.9	30	0.6	252.130576939025	93611419.6310876	751.401632021978	0	0	0	0	0	0	"Unambiguous"
+251.127353385822	1189442731.60091	514.785961885836	"C14H18O4"	"O4"	"CHO"	14	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.120076933662	251.12778551556	-1.72768912949784	1.73	251	250.846942339564	0.153057660436161	6	0.285714285714286	1.28571428571429	2	19.2400391587231	18	0.9	30	0.6	252.130576939025	93611419.6310876	751.401632021978	0	0	0	0	0	0	"Unambiguous"
+251.16367185425	262903263.219349	642.653919033568	"C15H22O3"	"O3"	"CHO"	15	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.15639540209	251.16417102086	-1.99541814315857	2	251	250.883220254466	0.116779745534473	5	0.2	1.46666666666667	2	19.2428380437462	18	0.9	32	0.7	252.167111845647	41433447.419306	661.194772141805	0	0	0	0	0	0	"Unambiguous"
+251.163671854453	206524534.932101	592.574650663625	"C15H22O3"	"O3"	"CHO"	15	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.156395402293	251.16417102086	-1.99541733159957	2	251	250.883220254668	0.116779745331684	5	0.2	1.46666666666667	2	19.2428380437462	18	0.9	32	0.7	252.167111845647	41433447.419306	661.194772141805	0	0	0	0	0	0	"Unambiguous"
+251.163670915028	72291753.477008	502.956211137623	"C15H22O3"	"O3"	"CHO"	15	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.156394462868	251.16417102086	-1.99917268985727	2	251	250.883219316292	0.116780683707731	5	0.2	1.46666666666667	2	19.2428380437462	18	0.9	32	0.7	252.167111845647	41433447.419306	661.194772141805	0	0	0	0	0	0	"Unambiguous"
+251.19999822998	146421304.558501	747.802491605002	"C16H26O2"	"O2"	"CHO"	16	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.19272177782	251.20055652616	-2.23146451277992	2.23	251	250.91950606784	0.0804939321601239	4	0.125	1.625	2	19.2456369287692	18	0.9	34	0.8	252.203655640725	28160814.9018621	788.9232098	0	0	0	0	0	0	"Unambiguous"
+253.143063541297	2183864072.10901	496.369103079302	"C14H20O4"	"O4"	"CHO"	14	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.135787089137	253.14343557936	-1.47554643987983	1.48	253	252.860401735072	0.139598264928281	5	0.285714285714286	1.42857142857143	1	19.3950891636308	18	0.9	30	0.7	254.1464384	60406195.8433182	517.311734490556	0	0	0	0	0	0	"Unambiguous"
+255.122431539037	124204291.228446	453.641886443482	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.115155086877	255.12270013786	-1.05699647420952	1.06	255	254.837559552823	0.162440447177431	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	256.125510025586	42704950.0924749	600.4400424	0	0	0	0	0	0	"Unambiguous"
+255.122433010351	119691191.613593	602.622895615051	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.115156558191	255.12270013786	-1.05120651831547	1.05	255	254.837561022494	0.162438977506298	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	256.125510025586	42704950.0924749	600.4400424	0	0	0	0	0	0	"Unambiguous"
+255.159072759181	817828095.727246	473.960462554379	"C14H22O4"	"O4"	"CHO"	14	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.151796307021	255.15908564316	-0.0506940309382159	0.05	255	254.874159859053	0.12584014094719	4	0.285714285714286	1.57142857142857	0	19.5501391685385	18	0.9	30	0.7	256.1623665573	338466688.01618	574.516150917581	0	0	0	0	0	0	"Unambiguous"
+255.158526297006	1328869635.95711	570.612438389129	"C14H22O4"	"O4"	"CHO"	14	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.151249844846	255.15908564316	-2.20083967459278	2.2	255	254.873614007062	0.126385992937628	4	0.285714285714286	1.57142857142857	0	19.5501391685385	18	0.9	30	0.7	256.1623665573	338466688.01618	574.516150917581	0	0	0	0	0	0	"Unambiguous"
+255.210493884542	186530513.058582	719.882412460988	"C19H26"	""	"CH"	19	26	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.203217432382	255.21072728156	-0.918151313602441	0.92	255	254.925523567126	0.0744764328741212	7	0	1.36842105263158	7	19.5541116022615	19	1	40	0.7	256.213540474607	45040857.7883206	700.1396609	0	0	0	0	0	0	"Unambiguous"
+257.13838611496	378678867.681592	446.653165114846	"C13H20O5"	"O5"	"CHO"	13	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.1311096628	257.13835020166	0.140214517648256	0.14	257	256.851263095856	0.148736904143618	4	0.384615384615385	1.53846153846154	-1	19.7023902884231	18	0.9	28	0.7	258.141726302479	58295356.8293471	490.087599855741	0	0	0	0	0	0	"Unambiguous"
+257.174356613731	999760049.481967	589.3280974	"C14H24O4"	"O4"	"CHO"	14	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.167080161571	257.17473570696	-1.47986708040437	1.48	257	256.887193429647	0.112806570352859	3	0.285714285714286	1.71428571428571	-1	19.7051891734462	18	0.9	30	0.8	258.177350348509	124689398.776335	606.3126606	0	0	0	0	0	0	"Unambiguous"
+259.133011296349	219456747.855356	640.240861487264	"C16H18O3"	"O3"	"CHO"	16	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.125734844189	259.13287089326	0.543932936974891	0.54	259	258.843661060949	0.156338939051238	8	0.1875	1.125	5	19.8558149570077	19	1	34	0.5	260.136209281779	24355079.0242947	635.055315585797	0	0	0	0	0	0	"Unambiguous"
+259.133011295942	153439582.197217	632.90644654829	"C16H18O3"	"O3"	"CHO"	16	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.125734843782	259.13287089326	0.543931360229132	0.54	259	258.843661060542	0.156338939457783	8	0.1875	1.125	5	19.8558149570077	19	1	34	0.5	260.136209281779	24355079.0242947	635.055315585797	0	0	0	0	0	0	"Unambiguous"
+259.153722759835	133248631.117119	470.910302282452	"C13H22O5"	"O5"	"CHO"	13	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.146446307675	259.15400026546	-1.07499300883249	1.07	259	258.86434939783	0.135650602170472	3	0.384615384615385	1.69230769230769	-2	19.8574402933308	18	0.9	28	0.8	260.157041618846	61714801.5453351	583.6931445	0	0	0	0	0	0	"Unambiguous"
+259.153722759661	106525627.727393	517.057639096955	"C13H22O5"	"O5"	"CHO"	13	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.146446307501	259.15400026546	-1.07499368286033	1.07	259	258.864349397656	0.135650602344242	3	0.384615384615385	1.69230769230769	-2	19.8574402933308	18	0.9	28	0.8	260.157041618846	61714801.5453351	583.6931445	0	0	0	0	0	0	"Unambiguous"
+259.190116960424	75906534.0897517	658.793956061143	"C14H26O4"	"O4"	"CHO"	14	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.182840508264	259.19038577076	-1.04116267153227	1.04	259	258.900702960329	0.0992970396709438	2	0.285714285714286	1.85714285714286	-2	19.8602391783538	18	0.9	30	0.9	260.193646898395	43061888.27	594.275606365991	0	0	0	0	0	0	"Unambiguous"
+259.190116448349	83873500.2786707	594.686245220799	"C14H26O4"	"O4"	"CHO"	14	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.182839996189	259.19038577076	-1.04314605490505	1.04	259	258.900702448826	0.0992975511741747	2	0.285714285714286	1.85714285714286	-2	19.8602391783538	18	0.9	30	0.9	260.193646898395	43061888.27	594.275606365991	0	0	0	0	0	0	"Unambiguous"
+265.1427297	425101584.747302	584.2984899	"C15H20O4"	"O4"	"CHO"	15	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.13545324784	265.14343557936	-2.6724142909198	2.67	265	264.846668959342	0.153331040658088	6	0.266666666666667	1.33333333333333	2	20.3181660867077	19	0.9	32	0.6	266.14610143058	31919885.9936052	605.965387703099	0	0	0	0	0	0	"Unambiguous"
+265.1427276	94682228.5801042	301.106242365721	"C15H20O4"	"O4"	"CHO"	15	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.13545114784	265.14343557936	-2.68036477852145	2.68	265	264.846666861687	0.153333138313258	6	0.266666666666667	1.33333333333333	2	20.3181660867077	19	0.9	32	0.6	266.14610143058	31919885.9936052	605.965387703099	0	0	0	0	0	0	"Unambiguous"
+265.164165806035	486996218.432856	465.583916152101	"C12H24O6"	"O6"	"CHO"	12	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.156889353875	265.16456495156	-1.51101690362597	1.51	265	264.868081129629	0.131918870370669	1	0.5	2	-5	20.3197914230308	18	0.9	26	0.9	266.167659380434	55309200.6293504	475.593352318962	0	0	0	0	0	0	"Unambiguous"
+265.179232828615	537810415.31078	629.192199099543	"C16H24O3"	"O3"	"CHO"	16	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.171956376455	265.17982108466	-2.22679217372873	2.23	265	264.883131328237	0.116868671762631	5	0.1875	1.5	2	20.3209649717308	19	0.9	34	0.7	266.182811998121	30829305.143206	669.158449432305	0	0	0	0	0	0	"Unambiguous"
+267.158694267095	523083598.396514	588.2485865	"C15H22O4"	"O4"	"CHO"	15	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.151417814935	267.15908564316	-1.47050152211797	1.47	267	266.860382482391	0.139617517608599	5	0.266666666666667	1.46666666666667	1	20.4732160916154	19	0.9	32	0.7	268.161756295549	53844898.4838739	626.107028198667	0	0	0	0	0	0	"Unambiguous"
+269.086936878584	324530391.139796	199.1424621	"C9H16O9"	"O9"	"CHO"	9	16	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.079660426424	269.08670856326	0.85166970019141	0.85	269	268.786472000954	0.213527999045652	2	1	1.77777777777778	-7	20.6214947777769	18	0.9	20	0.8	270.090188513168	38407228.1044401	299.754199411796	0	0	0	0	0	0	"Unambiguous"
+329.158936457388	223715200.823306	485.11576752168	"C16H24O7"	"O7"	"CHO"	16	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.151660005228	329.15947957386	-1.65507763081059	1.66	329	328.79139464837	0.208605351629672	5	0.4375	1.5	-2	25.2424771632077	23	0.9	34	0.7	330.162122712379	31303922.8711345	484.721405945715	0	0	0	0	0	0	"Unambiguous"
+329.158937066272	322977225.058433	527.258315334086	"C16H24O7"	"O7"	"CHO"	16	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.151660614112	329.15947957386	-1.65322213195703	1.65	329	328.791395256574	0.208604743425553	5	0.4375	1.5	-2	25.2424771632077	23	0.9	34	0.7	330.162122712379	31303922.8711345	484.721405945715	0	0	0	0	0	0	"Unambiguous"
+271.154134222943	356791562.179996	597.088481363817	"C14H22O5"	"O5"	"CHO"	14	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.146857770783	271.15400026546	0.495869113957748	0.5	271	270.851361094291	0.148638905708822	4	0.357142857142857	1.57142857142857	-1	20.7805172164077	19	0.9	30	0.7	272.156906834398	45282898.33627	591.10561108443	0	0	0	0	0	0	"Unambiguous"
+273.169493302542	606773041.681659	629.9157658476	"C14H24O5"	"O5"	"CHO"	14	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.162216850382	273.16965032926	-0.576960019716186	0.58	273	272.864469805937	0.13553019406254	3	0.357142857142857	1.71428571428571	-2	20.9355672213154	19	0.9	30	0.8	274.172510978677	145163072.320126	628.894614458598	0	0	0	0	0	0	"Unambiguous"
+273.16949228118	1004599315.0008	507.71701928505	"C14H24O5"	"O5"	"CHO"	14	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.16221582902	273.16965032926	-0.580712791083919	0.58	273	272.864468785716	0.135531214284072	3	0.357142857142857	1.71428571428571	-2	20.9355672213154	19	0.9	30	0.8	274.172510978677	145163072.320126	628.894614458598	0	0	0	0	0	0	"Unambiguous"
+277.143094912085	552925389.244434	630.265563218587	"C16H20O4"	"O4"	"CHO"	16	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.135818459925	277.14343557936	-1.23369462497646	1.23	277	276.833634456425	0.166365543575239	7	0.25	1.25	3	21.2412430097846	20	0.9	34	0.6	278.146309979218	131280664.687718	615.9269085	0	0	0	0	0	0	"Unambiguous"
+277.215548404996	297486282.935162	645.754814446076	"C18H28O2"	"O2"	"CHO"	18	28	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.208271952836	277.21620658996	-2.38292995111276	2.38	277	276.906007047118	0.0939929528816492	5	0.111111111111111	1.55555555555556	3	21.2468407798308	20	0.9	38	0.7	278.21853290475	41699693.6421924	647.659472722709	0	0	0	0	0	0	"Unambiguous"
+279.101165261479	1102947522.07969	747.999483421434	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093888809319	279.10157076566	-1.458155670672	1.46	279	278.789518406974	0.210481593025918	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	280.104347815561	551726059.142236	975.547313743182	0	0	0	0	0	0	"Unambiguous"
+279.15873855666	1828764120.85803	794.3927224	"C16H22O4"	"O4"	"CHO"	16	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.1514621045	279.15908564316	-1.24783273596773	1.25	279	278.847027415299	0.152972584700649	6	0.25	1.375	2	21.3962930146923	20	0.9	34	0.6	280.162229620757	312356357.976981	794.089549310948	0	0	0	0	0	0	"Unambiguous"
+281.174303000536	1021915151.32597	570.721836362571	"C16H24O4"	"O4"	"CHO"	16	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.167026548376	281.17473570696	-1.54445878000841	1.54	281	280.860341261911	0.13965873808894	5	0.25	1.5	1	21.5513430196	20	0.9	34	0.7	282.17787806086	223128778.501971	599.0696869	0	0	0	0	0	0	"Unambiguous"
+345.168875680022	253218593.658228	535.593197259558	"C20H24O5"	"O5"	"CHO"	20	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.161599227862	345.16965032926	-2.25082995817802	2.25	345	344.783457029842	0.216542970157832	9	0.25	1.2	4	26.4740287597769	25	0.9	42	0.6	346.171854414539	103371799.816372	538.3581651	0	0	0	0	0	0	"Unambiguous"
+283.153586624869	680197604.80574	751.223921120357	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146310172709	283.15400026546	-1.46604997521051	1.47	283	282.837414800467	0.162585199532998	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	284.156859192131	99062109.2	750.468279860752	0	0	0	0	0	0	"Unambiguous"
+283.153584474955	189808808.798568	506.554097834618	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146308022795	283.15400026546	-1.47366984152423	1.47	283	282.837412652954	0.162587347046383	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	284.156859192131	99062109.2	750.468279860752	0	0	0	0	0	0	"Unambiguous"
+283.190033711306	876673353.068413	699.388467292092	"C16H26O4"	"O4"	"CHO"	16	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.182757259146	283.19038577076	-1.24762922225731	1.25	283	282.873821189762	0.126178810238287	4	0.25	1.625	0	21.7063930245077	20	0.9	34	0.8	284.194143062649	78268571.99	704.388511639144	0	0	0	0	0	0	"Unambiguous"
+289.164351106514	222845610.775322	498.297903748588	"C14H24O6"	"O6"	"CHO"	14	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.157074654354	289.16456495156	-0.742112773950451	0.74	289	288.841467608794	0.158532391205824	3	0.428571428571429	1.71428571428571	-3	22.1659452691846	20	0.9	30	0.8	290.167264695599	125223514.078868	463.959690871339	0	0	0	0	0	0	"Unambiguous"
+289.165009761513	209136036.28307	404.200863400491	"C14H24O6"	"O6"	"CHO"	14	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.157733309353	289.16456495156	1.54363357824334	1.54	289	288.842125528333	0.157874471666901	3	0.428571428571429	1.71428571428571	-3	22.1659452691846	20	0.9	30	0.8	290.167264695599	125223514.078868	463.959690871339	0	0	0	0	0	0	"Unambiguous"
+295.15341959202	335808248.769402	537.802766822084	"C16H22O5"	"O5"	"CHO"	16	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.14614313986	295.15400026546	-1.97409843225638	1.97	295	294.823848646925	0.176151353074602	6	0.3125	1.375	1	22.6266710625615	21	0.9	34	0.6	296.157585017598	97376930.4999234	574.679770329864	0	0	0	0	0	0	"Unambiguous"
+295.190166881924	478983116.253719	657.612144072669	"C17H26O4"	"O4"	"CHO"	17	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.182890429764	295.19038577076	-0.744056990135075	0.74	295	294.860554904477	0.139445095522831	5	0.235294117647059	1.52941176470588	1	22.6294699475846	21	0.9	36	0.7	296.193153621335	85846087.9649299	705.566023524314	0	0	0	0	0	0	"Unambiguous"
+295.226241483877	233241948.365169	631.858770940757	"C18H30O3"	"O3"	"CHO"	18	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.218965031717	295.22677127606	-1.80067312428607	1.8	295	294.896589225207	0.103410774792621	4	0.166666666666667	1.66666666666667	1	22.6322688326077	21	0.9	38	0.8	296.2294105401	94544778.3183782	656.413168323159	0	0	0	0	0	0	"Unambiguous"
+297.168946530427	264618343.370731	613.139250440864	"C16H24O5"	"O5"	"CHO"	16	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.161670078267	297.16965032926	-2.37640081113538	2.38	297	296.837125029947	0.16287497005294	5	0.3125	1.5	0	22.7817210674692	21	0.9	34	0.7	298.172367542025	21767332.1967295	452.959778318647	0	0	0	0	0	0	"Unambiguous"
+297.168944816423	302339733.444314	462.047247632763	"C16H24O5"	"O5"	"CHO"	16	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.161668364263	297.16965032926	-2.38218821795436	2.38	297	296.837123317857	0.162876682143064	5	0.3125	1.5	0	22.7817210674692	21	0.9	34	0.7	298.172367542025	21767332.1967295	452.959778318647	0	0	0	0	0	0	"Unambiguous"
+297.169632842375	344728896.56242	507.747700425146	"C16H24O5"	"O5"	"CHO"	16	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.162356390215	297.16965032926	-0.0590449279189741	0.06	297	296.837810575553	0.162189424446979	5	0.3125	1.5	0	22.7817210674692	21	0.9	34	0.7	298.173059606237	26557787.2221464	564.913669163299	0	0	0	0	0	0	"Unambiguous"
+299.185048812065	986834838.8	585.7828113	"C16H26O5"	"O5"	"CHO"	16	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.177772359905	299.18530039306	-0.843728199432861	0.84	299	298.850976113766	0.149023886233579	4	0.3125	1.625	-1	22.9367710723769	21	0.9	34	0.8	300.188240903728	121551231.672558	630.71547481535	0	0	0	0	0	0	"Unambiguous"
+299.236443896427	105469063.210804	627.602327844513	"C21H30O"	"O"	"CHO"	21	30	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.229167444267	299.23694203146	-1.67030957193599	1.67	299	298.902313809918	0.0976861900819586	7	0.0476190476190476	1.42857142857143	6	22.9407435061	22	1	44	0.7	300.2405905	43006641.2657366	523.214419293481	0	0	0	0	0	0	"Unambiguous"
+305.101113570524	215699425.936913	321.772564189047	"C16H16O6"	"O6"	"CHO"	16	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.093837118364	305.10196469636	-2.7988920921861	2.8	305	304.760434941464	0.239565058535618	9	0.375	1	3	23.3918990957077	22	0.9	34	0.5	306.104763072988	26773096.3134239	315.770633407261	0	0	0	0	0	0	"Unambiguous"
+307.065713647848	119153660.60208	273.9645955	"C11H14O10"	"O10"	"CHO"	11	14	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.058437195688	307.06597312176	-0.847792056787284	0.85	307	306.722841328791	0.277158671208838	5	0.909090909090909	1.27272727272727	-5	23.5429766668923	21	0.9	24	0.6	308.068198613357	35161195.9139035	270.6148091	0	0	0	0	0	0	"Unambiguous"
+307.189946735382	165887513.645381	560.486995623298	"C18H26O4"	"O4"	"CHO"	18	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.182670283222	307.19038577076	-1.43390015360831	1.43	307	306.84693569655	0.153064303450208	6	0.222222222222222	1.44444444444444	2	23.5525468706615	22	0.9	38	0.7	308.1930418	23624912.8909964	663.59557732405	0	0	0	0	0	0	"Unambiguous"
+307.189947923199	62425641.260717	649.125723266292	"C18H26O4"	"O4"	"CHO"	18	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.182671471039	307.19038577076	-1.43002070915603	1.43	307	306.84693688304	0.153063116959572	6	0.222222222222222	1.44444444444444	2	23.5525468706615	22	0.9	38	0.7	308.1930418	23624912.8909964	663.59557732405	0	0	0	0	0	0	"Unambiguous"
+307.18994792349	126520428.261314	681.339850940165	"C18H26O4"	"O4"	"CHO"	18	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.18267147133	307.19038577076	-1.43001975861654	1.43	307	306.846936883331	0.153063116668875	6	0.222222222222222	1.44444444444444	2	23.5525468706615	22	0.9	38	0.7	308.1930418	23624912.8909964	663.59557732405	0	0	0	0	0	0	"Unambiguous"
+311.148738276314	793857986.528285	526.833703779982	"C16H22O6"	"O6"	"CHO"	16	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.141461824154	311.14891488776	-0.569454483534121	0.57	311	310.801306815481	0.198693184519016	6	0.375	1.375	0	23.8570491104308	22	0.9	34	0.6	312.151318496194	91355885.6096788	535.944591270897	0	0	0	0	0	0	"Unambiguous"
+313.085141186934	838697638.188749	273.100132754741	"C21H12O3"	"O3"	"CHO"	21	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.077864734774	313.08592070186	-2.49782190296926	2.5	313	312.735547521312	0.264452478688099	16	0.142857142857143	0.571428571428571	13	24.0060495576692	24	1	44	0.3	314.088139045657	65778910.2883536	275.09417108656	0	0	0	0	0	0	"Unambiguous"
+313.16395787681	211883318.494392	565.043020126727	"C16H24O6"	"O6"	"CHO"	16	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.15668142465	313.16456495156	-1.94477576849202	1.94	313	312.814276203768	0.185723796232082	5	0.375	1.5	-1	24.0120991153385	22	0.9	34	0.7	314.167333585158	20060830.4827861	422.843077379943	0	0	0	0	0	0	"Unambiguous"
+313.165444630826	479028587.07876	495.809747120287	"C16H24O6"	"O6"	"CHO"	16	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.158168178666	313.16456495156	2.81805621534438	2.82	313	312.815761297661	0.18423870233886	5	0.375	1.5	-1	24.0120991153385	22	0.9	34	0.7	314.167334802607	50274174.1203094	570.251233892238	0	0	0	0	0	0	"Unambiguous"
+319.189936569937	516729426.55568	709.0390509	"C19H26O4"	"O4"	"CHO"	19	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.182660117777	319.19038577076	-1.41177027938645	1.41	319	318.833526235253	0.166473764747423	7	0.210526315789474	1.36842105263158	3	24.4756237937385	23	0.9	40	0.7	320.193218960245	73388817.39	709.084151614742	0	0	0	0	0	0	"Unambiguous"
+319.22590551222	57599487.548813	724.646640717265	"C20H30O3"	"O3"	"CHO"	20	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.21862906006	319.22677127606	-2.72065731213841	2.72	319	318.869455014293	0.130544985706706	6	0.15	1.5	3	24.4784226787615	23	0.9	42	0.7	320.229357627958	21463113.54	753.339367832735	0	0	0	0	0	0	"Unambiguous"
+323.184827444901	115221078.370168	594.818481570715	"C18H26O5"	"O5"	"CHO"	18	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.177550992741	323.18530039306	-1.46797366101877	1.47	323	322.823956379377	0.176043620623147	6	0.277777777777778	1.44444444444444	1	24.7829249185308	23	0.9	38	0.7	324.188220066161	31800693.2612331	673.8895271	0	0	0	0	0	0	"Unambiguous"
+323.184828083672	105704648.815774	657.767367212784	"C18H26O5"	"O5"	"CHO"	18	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.177551631512	323.18530039306	-1.46599099035826	1.47	323	322.823957017435	0.17604298256532	6	0.277777777777778	1.44444444444444	1	24.7829249185308	23	0.9	38	0.7	324.188220066161	31800693.2612331	673.8895271	0	0	0	0	0	0	"Unambiguous"
+325.14357534904	2336092320.31721	769.478021776706	"C20H20O4"	"O4"	"CHO"	20	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.13629889688	325.14343557936	0.43120650318936	0.43	325	324.780517128108	0.219482871892467	11	0.2	1	7	24.9335507020923	24	1	42	0.5	326.146630341604	936927223.005047	1302.46007875849	0	0	0	0	0	0	"Unambiguous"
+327.049528845056	804424221.749186	269.479582266584	"C17H10O7"	"O7"	"CHO"	17	10	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.042252392896	327.04992912726	-1.22770040097608	1.23	327	326.684342419423	0.315657580577181	13	0.411764705882353	0.588235294117647	6	25.0802040519308	24	1	36	0.3	328.052647608813	72823647.2361377	269.78469340572	0	0	0	0	0	0	"Unambiguous"
+327.14320523704	79308064.1896676	578.7216359	"C16H22O7"	"O7"	"CHO"	16	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.13592878488	327.14382951006	-1.9141497913551	1.91	327	326.777914211511	0.222085788489323	6	0.4375	1.375	-1	25.0874271583	23	0.9	34	0.6	328.147553009049	36812345.5336192	579.058694471667	0	0	0	0	0	0	"Unambiguous"
+351.1796217	376162235.47708	371.500322958699	"C19H26O6"	"O6"	"CHO"	19	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	350.17234524784	351.18021501536	-1.69435241830048	1.69	351	350.787491397117	0.212508602883247	7	0.315789473684211	1.36842105263158	1	26.9363798894769	25	0.9	40	0.7	352.1823219733	20888182.6851777	381.159490849193	0	0	0	0	0	0	"Unambiguous"
+377.144777660683	374285549.318185	353.076233078528	"C16H24O10"	"O10"	"CHO"	16	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.137501208523	377.14422344076	1.47345032394492	1.47	377	376.723654432692	0.276345567307828	5	0.625	1.5	-5	28.9336113068154	26	0.9	34	0.7	378.1482868653	36667644.878644	352.986738474531	0	0	0	0	0	0	"Unambiguous"
+329.15893578973	95078086.23782	434.437210016758	"C16H24O7"	"O7"	"CHO"	16	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.15165933757	329.15947957386	-1.65711223615308	1.66	329	328.791393981458	0.208606018542184	5	0.4375	1.5	-2	25.2424771632077	23	0.9	34	0.7	330.162122712379	31303922.8711345	484.721405945715	0	0	0	0	0	0	"Unambiguous"
+333.205883587945	161990764.597573	599.117637351548	"C20H28O4"	"O4"	"CHO"	20	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.198607135785	333.20603583456	-0.458299980030042	0.46	333	332.833822921608	0.166177078392423	7	0.2	1.4	3	25.5537507217231	24	0.9	42	0.7	334.208784692161	22199332.2382048	672.6407392	0	0	0	0	0	0	"Unambiguous"
+333.2050668	105983357.391312	570.2353051	"C20H28O4"	"O4"	"CHO"	20	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.19779034784	333.20603583456	-2.91704095619051	2.92	333	332.833007045695	0.166992954304646	7	0.2	1.4	3	25.5537507217231	24	0.9	42	0.7	334.208784692161	22199332.2382048	672.6407392	0	0	0	0	0	0	"Unambiguous"
+337.148417267114	189334426.6146	385.823145937461	"C14H24O9"	"O9"	"CHO"	14	24	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	336.141140814954	337.14930881846	-2.65231248944874	2.65	337	336.771954332449	0.228045667550532	3	0.642857142857143	1.71428571428571	-6	25.8570794127923	23	0.9	30	0.8	338.153328799631	81101957.1826653	358.253958775134	0	0	0	0	0	0	"Unambiguous"
+337.201587806962	448041787.24181	282.461297081305	"C19H28O5"	"O5"	"CHO"	19	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	336.194311354802	337.20095045686	1.89577896021592	1.9	337	336.825065501598	0.174934498402308	6	0.263157894736842	1.47368421052632	1	25.8610518465154	24	0.9	40	0.7	338.205067350213	211129847.349999	197.987968336168	0	0	0	0	0	0	"Unambiguous"
+339.070550358991	170571286.296424	245.864983328484	"C15H14O9"	"O9"	"CHO"	15	14	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.063273906831	339.07105849946	-1.50309278824662	1.5	339	338.691941153345	0.308058846655456	9	0.6	0.933333333333333	0	26.0049063113308	24	0.9	32	0.4	340.073726061178	54933131.2879877	247.718272136925	0	0	0	0	0	0	"Unambiguous"
+339.179496236797	297776712.317973	618.00356169278	"C18H26O6"	"O6"	"CHO"	18	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.172219784637	339.18021501536	-2.12548080813917	2.13	339	338.80076538121	0.199234618789887	6	0.333333333333333	1.44444444444444	0	26.0133029664	24	0.9	38	0.7	340.184247344858	159723249.007527	434.002591404934	0	0	0	0	0	0	"Unambiguous"
+341.064956918603	705019409.013454	304.185141127106	"C18H12O7"	"O7"	"CHO"	18	12	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.057680466443	341.06557919106	-1.82990266873085	1.83	341	340.684120740775	0.315879259225085	13	0.388888888888889	0.666666666666667	6	26.1583309799154	25	1	38	0.3	342.067916816135	30758720.190261	357.162429210341	0	0	0	0	0	0	"Unambiguous"
+409.186591363892	402082496.7	248.928266399431	"C21H28O8"	"O8"	"CHO"	21	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	408.179314911732	409.18569432376	2.19766190790026	2.2	409	408.729689960472	0.270310039528169	8	0.380952380952381	1.33333333333333	0	31.3983398362769	29	0.9	44	0.6	410.188066998036	23215576.8426822	248.898496896039	0	0	0	0	0	0	"Unambiguous"
+347.169662029247	2866614638.10936	525.301262496472	"C16H26O8"	"O8"	"CHO"	16	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.162385577087	347.17004425996	-1.10419481990682	1.1	347	346.782009283155	0.217990716844554	4	0.5	1.625	-4	26.6279052159846	24	0.9	34	0.8	348.172663078878	256308830.274844	530.22151141256	0	0	0	0	0	0	"Unambiguous"
+349.200154850958	127931944.147732	488.227771965414	"C20H28O5"	"O5"	"CHO"	20	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.192878398798	349.20095045686	-2.28495742261466	2.28	349	348.810234838442	0.189765161557887	7	0.25	1.4	2	26.7841287695923	25	0.9	42	0.7	350.203181467142	42627789.3248658	673.4855874	0	0	0	0	0	0	"Unambiguous"
+419.226331342109	128542058.343768	663.477503280002	"C20H34O9"	"O9"	"CHO"	20	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.219054889949	419.22755913746	-2.93577094737648	2.94	419	418.758219475338	0.241780524661635	4	0.45	1.7	-5	32.1707909757923	29	0.9	42	0.8	420.229075949963	26938940.3440825	664.1568398	0	0	0	0	0	0	"Unambiguous"
+387.200331561661	853549588.8	523.52755255507	"C19H30O8"	"O8"	"CHO"	19	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.193055109501	387.20134438756	-2.62258962353317	2.62	387	386.767980212352	0.232019787647801	5	0.421052631578947	1.57894736842105	-3	29.7072359950308	27	0.9	40	0.8	388.203210082201	99424366.9068995	533.467414394679	0	0	0	0	0	0	"Unambiguous"
+377.14379482552	62718015.0080318	356.287432976902	"C16H24O10"	"O10"	"CHO"	16	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.13651837336	377.14422344076	-1.13952041104399	1.14	377	376.722672694972	0.277327305028336	5	0.625	1.5	-5	28.9336113068154	26	0.9	34	0.7	378.1482868653	36667644.878644	352.986738474531	0	0	0	0	0	0	"Unambiguous"
+385.184893498899	294286363.993919	471.50505955731	"C19H28O8"	"O8"	"CHO"	19	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.177617046739	385.18569432376	-2.08451722714316	2.08	385	384.754792605736	0.2452073942639	6	0.421052631578947	1.47368421052632	-2	29.5521859901231	27	0.9	40	0.7	386.189112428652	167001549.806457	525.051027916973	0	0	0	0	0	0	"Unambiguous"
+433.258596293594	123319726.022436	737.378214575481	"C25H36O6"	"O6"	"CHO"	25	36	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	432.251319841434	433.25846533436	0.302970119470214	0.3	433	432.77481587442	0.225184125579915	8	0.24	1.44	2	33.2500914524769	31	0.9	52	0.7	434.261129443117	64919075.9423223	737.4600869	0	0	0	0	0	0	"Unambiguous"
+389.216171560415	439889384.048066	480.762056517527	"C19H32O8"	"O8"	"CHO"	19	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.208895108255	389.21699445136	-2.11971172063763	2.12	389	388.781569306155	0.218430693845164	4	0.421052631578947	1.68421052631579	-4	29.8622859999385	27	0.9	40	0.8	390.218621947734	104914749.048215	498.048051030534	0	0	0	0	0	0	"Unambiguous"
+387.252481711364	83182363.2314622	734.211725724678	"C24H34O4"	"O4"	"CHO"	24	34	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.245205259204	387.25298602596	-1.30568506520611	1.31	387	386.820072130732	0.179927869267885	8	0.166666666666667	1.41666666666667	4	29.7112084287538	28	0.9	50	0.7	388.255562975565	20011774.2235545	736.130729566873	0	0	0	0	0	0	"Unambiguous"
+389.180110794612	589502735.542176	563.609580893032	"C18H28O9"	"O9"	"CHO"	18	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.172834342452	389.18060894606	-1.28332382871354	1.28	389	388.745548806125	0.254451193874843	5	0.5	1.55555555555556	-4	29.8594871149154	27	0.9	38	0.7	390.18345529958	160197097.432913	520.60141980722	0	0	0	0	0	0	"Unambiguous"
+389.216169966051	182471087.501807	376.938757837776	"C19H32O8"	"O8"	"CHO"	19	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.208893513891	389.21699445136	-2.12381870375921	2.12	389	388.781567713571	0.218432286428822	4	0.421052631578947	1.68421052631579	-4	29.8622859999385	27	0.9	40	0.8	390.218621947734	104914749.048215	498.048051030534	0	0	0	0	0	0	"Unambiguous"
+461.077505221709	143763866.17314	217.820933392077	"C14H20O17"	"O17"	"CHO"	14	20	17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	460.070228769549	461.07732566926	0.390271827519897	0.39	461	460.562661960303	0.43733803969667	5	1.21428571428571	1.42857142857143	-12	35.3900037859308	31	0.9	30	0.7	462.080871632118	21662796.869184	218.428160542263	0	0	0	0	0	0	"Unambiguous"
+489.176534443663	252333161.576034	405.165210681627	"C25H28O10"	"O10"	"CHO"	25	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	488.169257991503	489.17552356836	2.07074756655367	2.07	489	488.630315555203	0.369684444796974	12	0.4	1.12	2	37.5514036243231	35	0.9	52	0.5	490.178387920118	75741804.4183295	407.792356294091	0	0	0	0	0	0	"Unambiguous"
+413.159430682295	42848246.321721	426.112190528636	"C23H24O7"	"O7"	"CHO"	23	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.152154230135	413.15947957386	-0.118625038036958	0.12	413	412.698093171	0.301906828999734	12	0.304347826086957	1.04347826086957	5	31.7040156247462	30	0.9	48	0.5	414.163090031309	20145554.1152334	154.939407514269	0	0	0	0	0	0	"Unambiguous"
+497.238160145162	871960405.9	533.297411015051	"C25H36O10"	"O10"	"CHO"	25	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	496.230883693002	497.23812382356	0.0731949648055701	0.07	497	496.682939573425	0.317060426575438	8	0.4	1.44	-2	38.1716036439538	35	0.9	52	0.7	498.241014194979	160510725.066736	534.135846840907	0	0	0	0	0	0	"Unambiguous"
+445.169400353038	179057523.089407	683.604265726792	"C20H28O11"	"O11"	"CHO"	20	28	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.162123900878	445.17043819066	-2.3366189194126	2.34	445	444.672320223645	0.327679776354898	7	0.55	1.4	-4	34.1663970568077	31	0.9	42	0.7	446.173110432393	41460307.9869285	683.5443921	0	0	0	0	0	0	"Unambiguous"
+445.280332610802	115509141.016288	410.788733928965	"C23H40O8"	"O8"	"CHO"	23	40	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.273056158642	445.27959470656	1.66092503643426	1.66	445	444.783128613459	0.216871386540902	4	0.347826086956522	1.73913043478261	-4	34.1747937118769	31	0.9	48	0.8	446.284417179923	30135786.6299617	401.402203074025	0	0	0	0	0	0	"Unambiguous"
+455.227015946373	133483308.003466	749.2134551	"C23H34O9"	"O9"	"CHO"	23	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	454.219739494213	455.22755913746	-1.19587732491558	1.2	455	454.718705393558	0.281294606441975	7	0.391304347826087	1.47826086956522	-2	34.9400217450231	32	0.9	48	0.7	456.230946479829	45289911.11	434.71332789406	0	0	0	0	0	0	"Unambiguous"
+471.257627890045	108101264.075496	651.72075223684	"C24H38O9"	"O9"	"CHO"	24	38	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	470.250351437885	471.25885926506	-2.61855203556216	2.62	471	470.731417412723	0.268582587277081	6	0.375	1.58333333333333	-3	36.1731986779154	33	0.9	50	0.8	472.261372374224	55444788.958204	658.263083511565	0	0	0	0	0	0	"Unambiguous"
+489.268017849423	349260974.056504	637.129135429991	"C24H40O10"	"O10"	"CHO"	24	40	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	488.260741397263	489.26942395116	-2.87981731428469	2.88	489	488.721696809775	0.278303190225074	5	0.416666666666667	1.66666666666667	-5	37.5586267306923	34	0.9	50	0.8	490.270150539605	52923548.6756728	619.483627940287	0	0	0	0	0	0	"Unambiguous"
+211.096070564606	239294409.157566	413.48871691023	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.088794112446	211.09648538796	-1.9745144225551	1.97	211	210.860358806369	0.139641193631121	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	212.100156161221	116039661.895991	540.7818394	213.102241927018	51757808.2121238	1169.09736296144	0	0	0	"Unambiguous"
+269.137886563028	1392655532.3658	518.818451299712	"C14H20O5"	"O5"	"CHO"	14	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.130610110868	269.13835020166	-1.72915219108549	1.73	269	268.837364794526	0.16263520547443	5	0.357142857142857	1.42857142857143	0	20.6254672115	19	0.9	30	0.7	270.141400334091	70367267.6481761	462.325416104228	271.144546336217	37715909.6382535	448.881715830418	0	0	0	"Unambiguous"
+269.1378886	264040468.25271	751.264342873686	"C14H20O5"	"O5"	"CHO"	14	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.13061214784	269.13835020166	-1.72155523867608	1.72	269	268.837366829223	0.162633170776985	5	0.357142857142857	1.42857142857143	0	20.6254672115	19	0.9	30	0.7	270.141400334091	70367267.6481761	462.325416104228	271.144546336217	37715909.6382535	448.881715830418	0	0	0	"Unambiguous"
+387.179885767399	4584519619.04008	670.72696114176	"C22H26O6"	"O6"	"CHO"	22	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.172609315239	387.18021501536	-0.85259273464097	0.85	387	386.747557248047	0.252442751953311	10	0.272727272727273	1.18181818181818	4	29.7056106587077	28	0.9	46	0.6	388.183711100624	1057206254.9458	670.779770938928	389.186293912598	101515761.666327	669.1106436	0	0	0	"Unambiguous"
+417.210994152317	285886200.644374	594.731729053663	"C20H32O9"	"O9"	"CHO"	20	32	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	416.203717700157	417.21190907366	-2.19825365327157	2.2	417	416.745132629057	0.254867370943316	5	0.45	1.6	-4	32.0157409708846	29	0.9	42	0.8	418.214546045893	167453243.614012	624.5336148	419.218266175515	88561275.320055	521.022328918228	0	0	0	"Unambiguous"
+419.31504119354	2207096818.21113	990.344459003458	"C26H42O4"	"O4"	"CHO"	26	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.30776474138	419.31558628116	-1.3030779390525	1.3	419	418.846830272557	0.153169727443242	6	0.153846153846154	1.61538461538462	2	32.1775622945385	30	0.9	54	0.8	420.318107423668	392919110.295159	1191.77766683947	421.3212894	58924659.4320049	991.3030829	0	0	0	"Unambiguous"
+419.315042002557	873591445.130999	1017.56678703395	"C26H42O4"	"O4"	"CHO"	26	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.307765550397	419.31558628116	-1.30114391322741	1.3	419	418.84683108067	0.15316891932963	6	0.153846153846154	1.61538461538462	2	32.1775622945385	30	0.9	54	0.8	420.318107423668	392919110.295159	1191.77766683947	421.3212894	58924659.4320049	991.3030829	0	0	0	"Unambiguous"
+419.31504667458	842931105.434556	1319.73410588945	"C26H42O4"	"O4"	"CHO"	26	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.30777022242	419.31558628116	-1.28997503370425	1.29	419	418.846835747477	0.153164252523425	6	0.153846153846154	1.61538461538462	2	32.1775622945385	30	0.9	54	0.8	420.318107423668	392919110.295159	1191.77766683947	421.3212894	58924659.4320049	991.3030829	0	0	0	"Unambiguous"
diff -r 000000000000 -r a26b860d6ce7 test-data/mfassigncho/unambig.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/mfassigncho/unambig.tabular	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,1331 @@
+"abundance"	"exp_mass"	"RT"	"formula"	"class"	"group"	"C"	"H"	"O"	"N"	"S"	"P"	"E"	"S34"	"N15"	"D"	"Cl"	"Fl"	"Cl37"	"Br"	"Br81"	"I"	"M"	"NH4"	"POE"	"NOE"	"Z"	"neutral_mass"	"theor_mass"	"err_ppm"	"AE_ppm"	"NM"	"KM"	"KMD"	"DBE"	"O_C"	"H_C"	"DBEO"	"max_LA"	"actual_LA"	"rule_13"	"max_H"	"H_test"	"C13_mass"	"C13_abund"	"C13_RT"	"C13_mass2"	"C13_abund2"	"C13_RT2"	"S34_mass"	"S34_abund"	"S34_RT"	"tag"
+21010220.7087587	111.043788975043	170.235668271814	"C6H6O2"	"O2"	"CHO"	6	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	110.036512522883	111.04405588816	-2.42567772171828	2.43	111	110.919796488254	0.0802035117456654	4	0.333333333333333	1	2	8.46436764892308	8	0.9	14	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34089624.9593056	113.059668300037	175.588810777774	"C6H8O2"	"O2"	"CHO"	6	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	112.052391847877	113.05970595196	-0.336020698653698	0.34	113	112.933424864385	0.0665751356149684	3	0.333333333333333	1.33333333333333	1	8.61941765383077	8	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+109164662.210703	113.059750299613	129.616524856628	"C6H8O2"	"O2"	"CHO"	6	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	112.052473847453	113.05970595196	0.395775760048756	0.4	113	112.9335067724	0.0664932276004322	3	0.333333333333333	1.33333333333333	1	8.61941765383077	8	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+95204343.6149802	115.038996485973	126.124561596817	"C5H6O3"	"O3"	"CHO"	5	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	114.031720033813	115.03897051046	0.227791995104014	0.23	115	114.910542914786	0.0894570852138941	3	0.6	1.2	0	8.77166877371538	8	0.9	12	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+97316198.4500411	115.054231533359	486.860812934674	"C9H6"	""	"CH"	9	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	114.046955081199	115.05422664356	0.0428753139246947	0.04	115	114.925760950582	0.0742390494179119	7	0	0.666666666666667	7	8.77284232241538	9	1	20	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23920192.6144326	115.075265540226	167.40968733339	"C6H10O2"	"O2"	"CHO"	6	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	114.067989088066	115.07535601576	-0.793171990951019	0.79	115	114.946771470689	0.0532285293108856	2	0.333333333333333	1.66666666666667	0	8.77446765873846	8	0.9	14	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+75254335.0387775	115.075431411708	255.255342064005	"C6H10O2"	"O2"	"CHO"	6	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	114.068154959548	115.07535601576	0.660972801872154	0.66	115	114.946937156958	0.0530628430424684	2	0.333333333333333	1.66666666666667	0	8.77446765873846	8	0.9	14	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+106351841.6822	117.054617173705	604.088170928428	"C5H8O3"	"O3"	"CHO"	5	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	116.047340721545	117.05462057426	-0.0293031702982305	0.03	117	116.923912942451	0.0760870575485342	2	0.6	1.6	-1	8.92671877862308	8	0.9	12	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+63116320.3841112	117.069572629504	386.001176	"C9H8"	""	"CH"	9	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	116.062296177344	117.06987670736	-2.61995381804255	2.62	117	116.938851698855	0.0611483011450815	6	0	0.888888888888889	6	8.92789232732308	9	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59916324.7610906	117.069742846604	448.183657284805	"C9H8"	""	"CH"	9	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	116.062466394444	117.06987670736	-1.15335095102569	1.15	117	116.939021725889	0.0609782741110223	6	0	0.888888888888889	6	8.92789232732308	9	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+65132525.6124874	117.070083035453	525.247553400879	"C9H8"	""	"CH"	9	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	116.062806583293	117.06987670736	1.77772793088697	1.78	117	116.93936153488	0.0606384651199363	6	0	0.888888888888889	6	8.92789232732308	9	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+31036054.9520427	119.049041072813	745.850153780004	"C8H6O"	"O"	"CHO"	8	6	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	118.041764620653	119.04914126586	-0.848793198965757	0.85	119	118.916109850016	0.0838901499836311	6	0.125	0.75	5	9.08014344720769	9	1	18	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331652044.4	119.085478343665	445.799815387253	"C9H10"	""	"CH"	9	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	118.078201891505	119.08552677116	-0.410130694969878	0.41	119	118.952506434686	0.047493565313772	5	0	1.11111111111111	5	9.08294233223077	9	1	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125729706.646371	277.106569324075	385.925499370852	"C15H16O5"	"O5"	"CHO"	15	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.099292871915	277.10705007406	-1.74122135555312	1.74	277	276.797149653213	0.202850346787386	8	0.333333333333333	1.06666666666667	3	21.2384441247615	20	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+121370800.336108	277.128852366504	167.810945093411	"C12H20O7"	"O7"	"CHO"	12	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.121575914344	277.12817944626	2.43704332702007	2.44	277	276.819407814197	0.180592185802595	3	0.583333333333333	1.66666666666667	-4	21.2400694610846	19	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159255787.240375	369.190017637275	557.286159347641	"C19H28O7"	"O7"	"CHO"	19	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.182741185115	369.19077970146	-2.0697987703868	2.07	369	368.777776765391	0.222223234609203	6	0.368421052631579	1.47368421052632	-1	28.3218079422538	26	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+83158771.0636087	277.16414514188	409.893876581655	"C13H24O6"	"O6"	"CHO"	13	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.15686868972	277.16456495156	-1.52018554527669	1.52	277	276.854661181345	0.145338818654864	2	0.461538461538462	1.84615384615385	-4	21.2428683461077	19	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185906935.763132	277.179008477005	696.220139675808	"C17H24O3"	"O3"	"CHO"	17	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.171732024845	277.17982108466	-2.94239982127159	2.94	277	276.869507919937	0.130492080062652	6	0.176470588235294	1.41176470588235	3	21.2440418948077	20	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+54552392.0581973	277.1796277182	699.354094300161	"C17H24O3"	"O3"	"CHO"	17	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.17235126604	277.17982108466	-0.70016588955982	0.7	277	276.870126469682	0.129873530317923	6	0.176470588235294	1.41176470588235	3	21.2440418948077	20	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20154749.1667475	371.169340165239	625.9421674	"C18H26O8"	"O8"	"CHO"	18	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.162063713079	371.17004425996	-1.90212555521263	1.9	371	370.754889164138	0.245110835862363	6	0.444444444444444	1.44444444444444	-2	28.4740590621385	26	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+144603757.515597	123.044127955122	250.51457571322	"C7H6O2"	"O2"	"CHO"	7	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.036851502962	123.04405588816	0.590534425490025	0.59	123	122.906735782622	0.0932642173778788	5	0.285714285714286	0.857142857142857	3	9.387444572	9	1	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+220145401.346585	123.044311353059	309.739054082458	"C7H6O2"	"O2"	"CHO"	7	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.037034900899	123.04405588816	2.09333911796511	2.09	123	122.906918975775	0.0930810242246451	5	0.285714285714286	0.857142857142857	3	9.387444572	9	1	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22600448.3130038	123.044312115776	504.432808814696	"C7H6O2"	"O2"	"CHO"	7	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.037035663616	123.04405588816	2.09958898623494	2.1	123	122.906919737641	0.0930802623593081	5	0.285714285714286	0.857142857142857	3	9.387444572	9	1	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+127628556.180105	123.08040073282	447.129013430195	"C8H10O"	"O"	"CHO"	8	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.07312428066	123.08044139346	-0.33308429066689	0.33	123	122.942968057813	0.0570319421874927	4	0.125	1.25	3	9.39024345702308	9	1	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+104471043.938755	123.080583711079	363.036453996828	"C8H10O"	"O"	"CHO"	8	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.073307258919	123.08044139346	1.16583733324	1.17	123	122.943150831756	0.0568491682436445	4	0.125	1.25	3	9.39024345702308	9	1	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+44809816.961203	123.080584214953	519.229828471245	"C8H10O"	"O"	"CHO"	8	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.073307762793	123.08044139346	1.16996496300141	1.17	123	122.943151335068	0.056848664932275	4	0.125	1.25	3	9.39024345702308	9	1	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+234383113.187024	123.116871592357	558.931056651587	"C9H14"	""	"CH"	9	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	122.109595140197	123.11682689876	0.366012162707924	0.37	123	122.979398193662	0.020601806338064	3	0	1.55555555555556	3	9.39304234204615	9	1	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143247458.216515	125.023382532151	331.730487472646	"C6H4O3"	"O3"	"CHO"	6	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.016106079991	125.02332044666	0.500624418650638	0.5	125	124.883780306309	0.116219693691406	5	0.5	0.666666666666667	2	9.53969569188462	9	0.9	14	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45273253.424549	125.059595214589	335.952980559513	"C7H8O2"	"O2"	"CHO"	7	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.052318762429	125.05970595196	-0.892666675701787	0.89	125	124.919952553342	0.080047446658142	4	0.285714285714286	1.14285714285714	2	9.54249457690769	9	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21273474.6976777	125.059596220818	545.163897638413	"C7H8O2"	"O2"	"CHO"	7	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.052319768658	125.05970595196	-0.884555340912615	0.88	125	124.919953558447	0.0800464415527102	4	0.285714285714286	1.14285714285714	2	9.54249457690769	9	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+42725084.1665631	125.059782634153	277.144304693799	"C7H8O2"	"O2"	"CHO"	7	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.052506181993	125.05970595196	0.618143037631748	0.62	125	124.920139763631	0.0798602363685035	4	0.285714285714286	1.14285714285714	2	9.54249457690769	9	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+54970915.195144	125.059782634211	235.892572801366	"C7H8O2"	"O2"	"CHO"	7	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.052506182051	125.05970595196	0.618143505245623	0.62	125	124.920139763689	0.0798602363105516	4	0.285714285714286	1.14285714285714	2	9.54249457690769	9	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+151948609.152091	125.096198635223	488.211535098533	"C8H12O"	"O"	"CHO"	8	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	124.088922183063	125.09609145726	0.863719025976379	0.86	125	124.956515102269	0.0434848977306075	3	0.125	1.5	2	9.54529346193077	9	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+239294409.157566	211.096070564606	413.48871691023	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.088794112446	211.09648538796	-1.9745144225551	1.97	211	210.860358806369	0.139641193631121	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56585578.9159772	279.23135454172	666.822617275405	"C18H30O2"	"O2"	"CHO"	18	30	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.22407808956	279.23185665376	-1.80470376036861	1.8	279	278.919562316702	0.080437683298328	4	0.111111111111111	1.66666666666667	2	21.4018907847385	20	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46622599.9034532	279.231355640483	787.286394657129	"C18H30O2"	"O2"	"CHO"	18	30	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.224079188323	279.23185665376	-1.80075455158831	1.8	279	278.919563414238	0.080436585762186	4	0.111111111111111	1.66666666666667	2	21.4018907847385	20	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22919658.559573	211.096894516666	555.109119482139	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.089618064506	211.09648538796	1.94740087475807	1.95	211	210.861181838397	0.138818161603353	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+37977965.0602011	127.075190047638	343.491111578588	"C7H10O2"	"O2"	"CHO"	7	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.067913595478	127.07535601576	-1.3164977294485	1.32	127	126.933296755194	0.0667032448062059	3	0.285714285714286	1.42857142857143	1	9.69754458181539	9	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+314289366.585067	127.075382018668	228.285989245097	"C7H10O2"	"O2"	"CHO"	7	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.068105566508	127.07535601576	0.206260797447328	0.21	127	126.933488511867	0.0665114881327753	3	0.285714285714286	1.42857142857143	1	9.69754458181539	9	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123543197.168938	127.075574244373	277.884007659833	"C7H10O2"	"O2"	"CHO"	7	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.068297792213	127.07535601576	1.73103481855038	1.73	127	126.933680522931	0.066319477068717	3	0.285714285714286	1.42857142857143	1	9.69754458181539	9	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+95215659.3177834	129.054679883577	153.543385978679	"C6H8O3"	"O3"	"CHO"	6	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	128.047403431417	129.05462057426	0.463182504449292	0.46	129	128.910576275098	0.0894237249019625	3	0.5	1.33333333333333	0	9.8497957017	9	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58301382.5652215	129.054876865156	197.518928407276	"C6H8O3"	"O3"	"CHO"	6	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	128.047600412996	129.05462057426	2.00152830023996	2	129	128.910773036726	0.0892269632743705	3	0.5	1.33333333333333	0	9.8497957017	9	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+65039733.0336424	129.09108390255	412.019847053085	"C7H12O2"	"O2"	"CHO"	7	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	128.08380745039	129.09100607956	0.607594289572747	0.61	129	128.946939645018	0.053060354981767	2	0.285714285714286	1.71428571428571	0	9.85259458672308	9	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26069409.48	211.168938636002	741.301454011488	"C13H22O2"	"O2"	"CHO"	13	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.161662183842	211.16925639856	-1.5119910772985	1.51	211	210.933145512625	0.0668544873746271	3	0.153846153846154	1.69230769230769	1	16.1663061497231	15	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+75613886.4622931	211.169071837655	333.963446614896	"C13H22O2"	"O2"	"CHO"	13	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.161795385495	211.16925639856	-0.878184851217324	0.88	211	210.933278565544	0.0667214344557863	3	0.153846153846154	1.69230769230769	1	16.1663061497231	15	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+106376872.599584	131.070314874347	168.386514376759	"C6H10O3"	"O3"	"CHO"	6	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	130.063038422187	131.07027063806	0.340114205531027	0.34	131	130.923960589831	0.0760394101694999	2	0.5	1.66666666666667	-1	10.0048457066077	9	0.9	14	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137227395.328169	133.064927298151	439.812834875307	"C9H8O"	"O"	"CHO"	9	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	132.057650845991	133.06479132966	1.02961464282799	1.03	133	132.916345811583	0.0836541884169719	6	0.111111111111111	0.888888888888889	5	10.1582703751923	10	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+250396932.561756	135.044116878167	415.727885500646	"C8H6O2"	"O2"	"CHO"	8	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.036840426007	135.04405588816	0.455024206826155	0.46	135	134.893325410833	0.106674589167284	6	0.25	0.75	4	10.3105214950769	10	1	18	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+1624879837.86781	135.044203360548	333.703943327664	"C8H6O2"	"O2"	"CHO"	8	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.036926908388	135.04405588816	1.10023701246856	1.1	135	134.893411796647	0.106588203353255	6	0.25	0.75	4	10.3105214950769	10	1	18	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52820365.8502932	135.044327465856	435.076729817868	"C8H6O2"	"O2"	"CHO"	8	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.037051013696	135.04405588816	2.0261389962216	2.03	135	134.893535763378	0.106464236622372	6	0.25	0.75	4	10.3105214950769	10	1	18	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+381343686.325133	135.080555334188	427.44608580809	"C9H10O"	"O"	"CHO"	9	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	134.073278882028	135.08044139346	0.849839199498983	0.85	135	134.929723179348	0.0702768206517703	5	0.111111111111111	1.11111111111111	4	10.3133203801	10	1	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+172191863.399496	383.206291770274	603.837019205756	"C20H30O7"	"O7"	"CHO"	20	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	382.199015318114	383.20642976526	-0.361055315357994	0.36	383	382.778400201477	0.221599798522675	6	0.35	1.5	-1	29.3999348702385	27	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137000821.355081	385.111863943504	439.845200745582	"C17H20O10"	"O10"	"CHO"	17	20	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.104587491344	385.11292331316	-2.75802396141578	2.76	385	384.681844595795	0.318155404204902	8	0.588235294117647	1.17647058823529	-2	29.5465882200769	27	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+121486409.847979	137.096008386905	533.108751070258	"C9H12O"	"O"	"CHO"	9	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.088731934745	137.09609145726	-0.610413175452972	0.61	137	136.942925759181	0.0570742408186788	4	0.111111111111111	1.33333333333333	3	10.4683703850077	10	1	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26683353.6318598	137.096008386934	581.90835682093	"C9H12O"	"O"	"CHO"	9	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.088731934774	137.09609145726	-0.610412962429007	0.61	137	136.94292575921	0.0570742407897171	4	0.111111111111111	1.33333333333333	3	10.4683703850077	10	1	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119118279.112019	137.0962229778	398.294593659563	"C9H12O"	"O"	"CHO"	9	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.08894652564	137.09609145726	0.966430730538419	0.97	137	136.943140110462	0.0568598895377761	4	0.111111111111111	1.33333333333333	3	10.4683703850077	10	1	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+147335204.644783	137.096223261009	413.032024460159	"C9H12O"	"O"	"CHO"	9	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.088946808849	137.09609145726	0.968511786415546	0.97	137	136.943140393355	0.0568596066450198	4	0.111111111111111	1.33333333333333	3	10.4683703850077	10	1	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58522434.5701136	137.132634373636	519.204634344393	"C10H16"	""	"CH"	10	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.125357921476	137.13247696256	1.15636850037891	1.16	137	136.979510849008	0.0204891509916649	3	0	1.6	3	10.4711692700308	10	1	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+93642373.9822843	139.03868912953	198.160451758098	"C7H6O3"	"O3"	"CHO"	7	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.03141267737	139.03897051046	-2.03852821990846	2.04	139	138.883437287134	0.116562712865971	5	0.428571428571429	0.857142857142857	2	10.6178226198692	10	0.9	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+27703950.87	139.075436413401	195.286928377435	"C8H10O2"	"O2"	"CHO"	8	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.068159961241	139.07535601576	0.582303994073164	0.58	139	138.92014353866	0.0798564613404267	4	0.25	1.25	2	10.6206215048923	10	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141237185.8	139.075437251552	369.427937860279	"C8H10O2"	"O2"	"CHO"	8	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.068160799392	139.07535601576	0.588374550011598	0.59	139	138.920144375875	0.0798556241253436	4	0.25	1.25	2	10.6206215048923	10	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+57752563.91	139.075438077895	566.652842430422	"C8H10O2"	"O2"	"CHO"	8	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.068161625735	139.07535601576	0.594359583171058	0.59	139	138.920145201295	0.0798547987050142	4	0.25	1.25	2	10.6206215048923	10	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+192387836.729245	139.075657338995	390.306397043681	"C8H10O2"	"O2"	"CHO"	8	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.068380886835	139.07535601576	2.18242028375673	2.18	139	138.920364217566	0.0796357824339395	4	0.25	1.25	2	10.6206215048923	10	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+127495826.297079	139.111759045347	446.8843171	"C9H14O"	"O"	"CHO"	9	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.104482593187	139.11174152106	0.126891514740091	0.13	139	138.95642561243	0.0435743875697767	3	0.111111111111111	1.55555555555556	2	10.6234203899154	10	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+134673995.976467	139.111759327331	506.132405282668	"C9H14O"	"O"	"CHO"	9	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.104482875171	139.11174152106	0.128933330899438	0.13	139	138.956425894099	0.0435741059006318	3	0.111111111111111	1.55555555555556	2	10.6234203899154	10	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+111417571.230536	139.148095860121	677.7778826	"C10H18"	""	"CH"	10	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	138.140819407961	139.14812702636	-0.225612090017499	0.23	139	138.992721853192	0.00727814680774941	2	0	1.8	2	10.6262192749385	10	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52646876.1278685	141.018241488543	699.681460255621	"C6H4O4"	"O4"	"CHO"	6	4	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.010965036383	141.01823506896	0.0458505732061958	0.05	141	140.860779260298	0.139220739701557	5	0.666666666666667	0.666666666666667	1	10.7700737397538	10	0.9	14	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+221169424.479233	141.018241488616	679.2248903	"C6H4O4"	"O4"	"CHO"	6	4	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.010965036456	141.01823506896	0.0458510947036953	0.05	141	140.860779260371	0.139220739628627	5	0.666666666666667	0.666666666666667	1	10.7700737397538	10	0.9	14	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56302298.7856748	141.054554284737	141.519088135316	"C7H8O3"	"O3"	"CHO"	7	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.047277832577	141.05462057426	-0.47333674743647	0.47	141	140.8970515093	0.102948490700186	4	0.428571428571429	1.14285714285714	1	10.7728726247769	10	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+69187269.1624679	141.054650141006	165.984393820422	"C7H8O3"	"O3"	"CHO"	7	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.047373688846	141.05462057426	0.21111960352537	0.21	141	140.897147258535	0.102852741465171	4	0.428571428571429	1.14285714285714	1	10.7728726247769	10	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+41752642.368741	141.054650141064	182.696103294791	"C7H8O3"	"O3"	"CHO"	7	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.047373688904	141.05462057426	0.211120017733043	0.21	141	140.897147258593	0.102852741407219	4	0.428571428571429	1.14285714285714	1	10.7728726247769	10	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51943639.8174782	141.069714774956	563.513423650856	"C11H8"	""	"CH"	11	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.062438322796	141.06987670736	-1.156144402105	1.16	141	140.91219507118	0.0878049288200202	8	0	0.727272727272727	8	10.7740461734769	11	1	24	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+309797966.080234	141.09107540126	342.171720286004	"C8H12O2"	"O2"	"CHO"	8	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.0837989491	141.09100607956	0.494858795453523	0.49	141	140.933531846018	0.0664681539821572	3	0.25	1.5	1	10.7756715098	10	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+48777044.0862291	141.127515919829	540.491333649987	"C9H16O"	"O"	"CHO"	9	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	140.120239467669	141.12739158486	0.88734482237398	0.89	141	140.969931674778	0.0300683252217482	2	0.111111111111111	1.77777777777778	1	10.7784703948231	10	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+54276603.4583295	143.033758803031	176.179689912305	"C6H6O4"	"O4"	"CHO"	6	6	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.026482350871	143.03388513276	-0.889480094898184	0.89	143	142.874046030147	0.125953969852702	4	0.666666666666667	1	0	10.9251237446615	10	0.9	14	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+47817436.5269185	143.070445649753	213.692446854275	"C7H10O3"	"O3"	"CHO"	7	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.063169197593	143.07027063806	1.23192868339415	1.23	143	142.910691912009	0.0893080879914976	3	0.428571428571429	1.42857142857143	0	10.9279226296846	10	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58468031.99	143.07067556283	264.175112487023	"C7H10O3"	"O3"	"CHO"	7	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.06339911067	143.07027063806	2.85031030171018	2.85	143	142.910921568362	0.0890784316375175	3	0.428571428571429	1.42857142857143	0	10.9279226296846	10	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+31398572.9369873	143.106277647876	580.655545962467	"C8H14O2"	"O2"	"CHO"	8	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.099001195716	143.10665614336	-2.66360411273216	2.66	143	142.946483899802	0.0535161001977258	2	0.25	1.75	0	10.9307215147077	10	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+33159113.7737734	143.106506817917	431.004966761546	"C8H14O2"	"O2"	"CHO"	8	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.099230365757	143.10665614336	-1.05085328484991	1.05	143	142.94671281395	0.0532871860500279	2	0.25	1.75	0	10.9307215147077	10	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51120590.401711	143.106736833058	501.8730638	"C8H14O2"	"O2"	"CHO"	8	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.099460380898	143.10665614336	0.567839580663789	0.57	143	142.946942572254	0.0530574277459834	2	0.25	1.75	0	10.9307215147077	10	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28902133.6749628	143.106747317844	299.826531825435	"C8H14O2"	"O2"	"CHO"	8	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	142.099470865684	143.10665614336	0.641624373706377	0.64	143	142.946953045333	0.0530469546673942	2	0.25	1.75	0	10.9307215147077	10	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+72206024.2019475	145.049414812923	144.940445764739	"C6H8O4"	"O4"	"CHO"	6	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.042138360763	145.04953519656	-0.835752914754815	0.84	145	144.887451340532	0.112548659468388	3	0.666666666666667	1.33333333333333	-1	11.0801737495692	10	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28317215.6437765	145.0495582	162.029785353233	"C6H8O4"	"O4"	"CHO"	6	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.04228174784	145.04953519656	0.159699219848826	0.16	145	144.887594567501	0.112405432498662	3	0.666666666666667	1.33333333333333	-1	11.0801737495692	10	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22516500.1450622	145.0647978	402.155821632222	"C10H8O"	"O"	"CHO"	10	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.05752134784	145.06479132966	0.0449149751889663	0.04	145	144.902817150828	0.0971828491721851	7	0.1	0.8	6	11.0813472982692	11	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119032218.236839	145.064798137177	435.122801061307	"C10H8O"	"O"	"CHO"	10	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.057521685017	145.06479132966	0.0472555470669341	0.05	145	144.902817487628	0.0971825123716599	7	0.1	0.8	6	11.0813472982692	11	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+522190848.976893	145.064798431228	520.943526484276	"C10H8O"	"O"	"CHO"	10	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.057521979068	145.06479132966	0.0492967524676083	0.05	145	144.902817781351	0.0971822186490101	7	0.1	0.8	6	11.0813472982692	11	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+61018746.2410981	219.122487266959	417.709565577367	"C10H18O5"	"O5"	"CHO"	10	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.115210814799	219.12270013786	-0.975956239628398	0.98	219	218.877813140127	0.122186859872642	2	0.5	1.8	-3	16.7781095142846	15	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51354521.4691097	293.174502911953	618.809697821218	"C17H24O4"	"O4"	"CHO"	17	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.167226459793	293.17473570696	-0.796786860047939	0.8	293	292.847141642902	0.152858357097784	6	0.235294117647059	1.41176470588235	2	22.4744199426769	21	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58819584.3255162	145.101146559638	594.702052264201	"C11H12"	""	"CH"	11	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.093870107478	145.10117683496	-0.210108327073634	0.21	145	144.939125323116	0.0608746768839126	6	0	1.09090909090909	6	11.0841461832923	11	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+47590896.2262216	145.101147975532	887.787317180424	"C11H12"	""	"CH"	11	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.093871523372	145.10117683496	-0.20028213340544	0.2	145	144.939126737429	0.0608732625709081	6	0	1.09090909090909	6	11.0841461832923	11	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+135017622.482129	145.101380561463	476.172319403296	"C11H12"	""	"CH"	11	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.094104109303	145.10117683496	1.41384343420507	1.41	145	144.939359063653	0.060640936347454	6	0	1.09090909090909	6	11.0841461832923	11	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25982902.0733458	221.044088666964	436.176308227036	"C11H8O5"	"O5"	"CHO"	11	8	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.036812214804	221.04444981886	-1.64132488732402	1.64	221	220.797268862842	0.202731137157684	8	0.454545454545455	0.727272727272727	3	16.9259364128231	16	0.9	24	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23298518.2055736	221.05908160587	192.766480173336	"C15H8O2"	"O2"	"CHO"	15	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.05180515371	221.05970595196	-2.83726865848928	2.84	221	220.812245060499	0.187754939501218	12	0.133333333333333	0.533333333333333	10	16.9271099615231	17	1	32	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+44732960.7208493	221.080695673592	352.395085162552	"C12H12O4"	"O4"	"CHO"	12	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.073419221432	221.08083532416	-0.634563540186163	0.63	221	220.83383499376	0.166165006240306	7	0.333333333333333	1	3	16.9287352978462	16	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100175439.164878	221.080695673679	395.933412383146	"C12H12O4"	"O4"	"CHO"	12	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.073419221519	221.08083532416	-0.634563144868509	0.63	221	220.833834993847	0.16616500615342	7	0.333333333333333	1	3	16.9287352978462	16	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+44752165.3660939	221.080696987634	547.265458410031	"C12H12O4"	"O4"	"CHO"	12	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.073420535474	221.08083532416	-0.6285926108478	0.63	221	220.833836306334	0.166163693665567	7	0.333333333333333	1	3	16.9287352978462	16	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+330206544.296487	147.116706878527	527.152250884147	"C11H14"	""	"CH"	11	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.109430426367	147.11682689876	-0.821440701315792	0.82	147	146.952435049347	0.0475649506531681	5	0	1.27272727272727	5	11.2391961882	11	1	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30115889.717357	221.138050944778	394.706517993097	"C10H20O5"	"O5"	"CHO"	10	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.130774492618	221.13835020166	-1.35945045701807	1.36	221	220.891126221537	0.10887377846251	1	0.5	2	-4	16.9331595191923	15	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+2026903464.8078	221.153498294039	587.06285122673	"C14H20O2"	"O2"	"CHO"	14	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.146221841879	221.15360633476	-0.490768000072145	0.49	221	220.90655632215	0.0934436778497059	5	0.142857142857143	1.42857142857143	3	16.9343330678923	16	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+55544925.3493976	221.189691088034	583.4515213	"C15H24O"	"O"	"CHO"	15	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.182414635874	221.18999184006	-1.36592209913833	1.37	221	220.942708702948	0.0572912970517905	4	0.0666666666666667	1.6	3	16.9371319529154	16	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39258396.9957812	221.189692358763	731.650003364509	"C15H24O"	"O"	"CHO"	15	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.182415906603	221.18999184006	-1.36015083565382	1.36	221	220.942709972258	0.0572900277417148	4	0.0666666666666667	1.6	3	16.9371319529154	16	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+95433131.65	149.059468904565	713.827397551537	"C9H8O2"	"O2"	"CHO"	9	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.052192452405	149.05970595196	-1.60110695466895	1.6	149	148.893027769951	0.10697223004928	6	0.222222222222222	0.888888888888889	4	11.3886484230615	11	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195571085.828924	149.059955264357	304.437950444062	"C9H8O2"	"O2"	"CHO"	9	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.052678812197	149.05970595196	1.68394384361741	1.68	149	148.893513586669	0.10648641333097	6	0.222222222222222	0.888888888888889	4	11.3886484230615	11	1	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79031904.0654299	223.059460211586	372.607584756639	"C11H10O5"	"O5"	"CHO"	11	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.052183759426	223.06009988266	-2.88072408539051	2.88	223	222.810390025593	0.189609974406892	7	0.454545454545455	0.909090909090909	2	17.0809864177308	16	0.9	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+98633196.4778132	149.132268466222	564.298377943479	"C11H16"	""	"CH"	11	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.124992014062	149.13247696256	-1.40757029016571	1.41	149	148.965746042967	0.0342539570331724	4	0	1.45454545454545	4	11.3942461931077	11	1	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+97447602.3583125	149.132268748331	636.812500542579	"C11H16"	""	"CH"	11	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.124992296171	149.13247696256	-1.40566575405748	1.41	149	148.965746324761	0.0342536752391993	4	0	1.45454545454545	4	11.3942461931077	11	1	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+69359567.3505994	149.132512576788	523.5722447	"C11H16"	""	"CH"	11	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.125236124628	149.13247696256	0.240433223553901	0.24	149	148.965989880957	0.0340101190432165	4	0	1.45454545454545	4	11.3942461931077	11	1	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21861413.7357998	297.2418286	797.422173186955	"C18H32O3"	"O3"	"CHO"	18	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.23455214784	297.24242133986	-2.00091399076185	2	297	296.90992571875	0.0900742812498834	3	0.166666666666667	1.77777777777778	0	22.7873188375154	21	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+67061003.125998	299.054534912891	209.858113373602	"C16H10O6"	"O6"	"CHO"	16	10	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.047258460731	299.05501450496	-1.60911417712112	1.61	299	298.720607947578	0.279392052421883	12	0.375	0.625	6	22.9267490809846	22	1	34	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+80734340.25	299.112839899239	457.191101821137	"C14H18O7"	"O7"	"CHO"	14	18	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.105563447079	299.11252938246	1.04163362622843	1.04	299	298.778847830058	0.221152169942457	6	0.5	1.28571428571429	-1	22.9311733023308	21	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+204627918.315317	299.127418810834	467.546817616053	"C18H18O4"	"O4"	"CHO"	18	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.120142358674	299.12778551556	-1.23005685925708	1.23	299	298.79341046271	0.206589537290427	10	0.222222222222222	1	6	22.9323468510308	22	1	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+19921678.5153106	299.128113594752	541.745502736978	"C18H18O4"	"O4"	"CHO"	18	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.120837142592	299.12778551556	1.10049064381578	1.1	299	298.794104470826	0.205895529174313	10	0.222222222222222	1	6	22.9323468510308	22	1	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+128334563.705256	299.148248520666	687.291186725687	"C15H22O6"	"O6"	"CHO"	15	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.140972068506	299.14891488776	-2.23507386236418	2.24	299	298.814216913902	0.185783086098468	5	0.4	1.46666666666667	-1	22.9339721873538	21	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+47983924.9318281	223.118033157962	177.750916792972	"C9H18O6"	"O6"	"CHO"	9	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.110756705802	223.11761476016	1.88373498075206	1.88	223	222.868897568894	0.131102431106086	1	0.666666666666667	2	-5	17.0854106390769	15	0.9	20	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+986834838.8	299.185048812065	585.7828113	"C16H26O5"	"O5"	"CHO"	16	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.177772359905	299.18530039306	-0.843728199432861	0.84	299	298.850976113766	0.149023886233579	4	0.3125	1.625	-1	22.9367710723769	21	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+130357263.542666	299.200326326982	518.212884138406	"C20H26O2"	"O2"	"CHO"	20	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.193049874822	299.20055652616	-0.771980360094458	0.77	299	298.866236569674	0.133763430326269	8	0.1	1.3	6	22.9379446210769	22	1	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+50879869.824623	299.221164214979	731.435916128656	"C17H30O4"	"O4"	"CHO"	17	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.213887762819	299.22168589836	-1.7493597795406	1.75	299	298.887051189899	0.112948810101159	3	0.235294117647059	1.76470588235294	-1	22.9395699574	21	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+44884671.6337741	299.221858210177	662.990905569697	"C17H30O4"	"O4"	"CHO"	17	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.214581758017	299.22168589836	0.577811507482681	0.58	299	298.887744410176	0.112255589824372	3	0.235294117647059	1.76470588235294	-1	22.9395699574	21	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+136702251.963472	225.075783832446	278.536545405529	"C11H12O5"	"O5"	"CHO"	11	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.068507380286	225.07574994646	0.151230471410664	0.15	225	224.824462201485	0.175537798514938	6	0.454545454545455	1.09090909090909	1	17.2360364226385	16	0.9	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35191772.4492265	225.075784757188	390.970320378057	"C11H12O5"	"O5"	"CHO"	11	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.068508305028	225.07574994646	0.155357520988895	0.16	225	224.824463125194	0.175536874805545	6	0.454545454545455	1.09090909090909	1	17.2360364226385	16	0.9	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+400313434.523857	301.121442344937	394.004677505836	"C21H16O2"	"O2"	"CHO"	21	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.114165892777	301.12230620716	-2.87844534243794	2.88	301	300.785207452321	0.214792547679338	14	0.0952380952380952	0.761904761904762	12	23.0857715196154	23	1	44	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+91523966.6007637	301.16421973064	458.510528304986	"C15H24O6"	"O6"	"CHO"	15	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.15694327848	301.16456495156	-1.15013471361229	1.15	301	300.827937072413	0.172062927587376	4	0.4	1.6	-2	23.0890221922615	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40231292.2925806	301.164219730989	454.113155662566	"C15H24O6"	"O6"	"CHO"	15	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.156943278829	301.16456495156	-1.15013355101334	1.15	301	300.827937072761	0.172062927238812	4	0.4	1.6	-2	23.0890221922615	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22405842.0847452	155.033924738726	674.089991552503	"C7H6O4"	"O4"	"CHO"	7	6	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.026648286566	155.03388513276	0.257137102245852	0.26	155	154.860812473354	0.139187526645998	5	0.571428571428571	0.857142857142857	1	11.8482006677385	11	0.9	16	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+71788883.2239949	155.069908709875	158.215718526849	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.062632257715	155.07027063806	-2.34922758173749	2.35	155	154.896756264479	0.103243735520664	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+69620753.3314284	155.070193620035	215.617277547378	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.062917167875	155.07027063806	-0.499912804532321	0.5	155	154.897040856506	0.102959143493877	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+67174462.1670851	155.070194227939	315.894166554833	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.062917775779	155.07027063806	-0.495966986177043	0.5	155	154.897041463731	0.102958536268687	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26108154.9185399	155.070197002769	849.598361705501	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.062920550609	155.07027063806	-0.47795595950995	0.48	155	154.897044235463	0.102955764537086	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+212167384.92872	155.070453044212	265.4411157	"C8H10O3"	"O3"	"CHO"	8	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.063176592052	155.07027063806	1.18396982346799	1.18	155	154.897299991008	0.10270000899223	4	0.375	1.25	1	11.8509995527615	11	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+163566087.481518	155.106737838899	382.644205143201	"C9H14O2"	"O2"	"CHO"	9	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.099461386739	155.10665614336	0.5301481151192	0.53	155	154.933544269769	0.066455730231155	3	0.222222222222222	1.55555555555556	1	11.8537984377846	11	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+191589009.854592	155.106738159445	460.97811142882	"C9H14O2"	"O2"	"CHO"	9	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.099461707285	155.10665614336	0.532228238138624	0.53	155	154.933544589957	0.0664554100430621	3	0.222222222222222	1.55555555555556	1	11.8537984377846	11	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+62381059.1401762	155.106738473722	519.261089765303	"C9H14O2"	"O2"	"CHO"	9	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	154.099462021562	155.10665614336	0.534267679621769	0.53	155	154.933544903883	0.0664550961169823	3	0.222222222222222	1.55555555555556	1	11.8537984377846	11	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+169197942.011102	157.049497164346	126.124757498363	"C7H8O4"	"O4"	"CHO"	7	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.042220712186	157.04953519656	-0.243730278929901	0.24	157	156.874134292797	0.125865707202735	4	0.571428571428571	1.14285714285714	0	12.0032506726462	11	0.9	16	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225758734.949927	157.08579578477	202.180021849743	"C8H12O3"	"O3"	"CHO"	8	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.07851933261	157.08592070186	-0.800347738685805	0.8	157	156.910392381857	0.089607618142594	3	0.375	1.5	0	12.0060495576692	11	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56159302.737949	157.085946439803	415.192612360958	"C8H12O3"	"O3"	"CHO"	8	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.078669987643	157.08592070186	0.164903653991525	0.16	157	156.910542868668	0.0894571313323524	3	0.375	1.5	0	12.0060495576692	11	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52988993.89	157.085947048667	566.682596236221	"C8H12O3"	"O3"	"CHO"	8	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.078670596507	157.08592070186	0.168804660520467	0.17	157	156.910543476852	0.0894565231481863	3	0.375	1.5	0	12.0060495576692	11	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52717463.5798564	157.121883176681	415.416374694279	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.114606724521	157.12230620716	-2.70974310395552	2.71	157	156.946439478264	0.0535605217357897	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+57243691.33	157.12214778151	493.985812144826	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.11487132935	157.12230620716	-1.01480178442031	1.01	157	156.946703787633	0.0532962123669165	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20655657.1677769	157.122148071803	573.01349986178	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.114871619643	157.12230620716	-1.01294229919857	1.01	157	156.946704077602	0.0532959223980356	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+41144737.2170483	157.122412358733	552.3621318	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.115135906573	157.12230620716	0.679956958539315	0.68	157	156.946968069427	0.0530319305732121	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+66574710.6791436	157.122412358791	564.486636548962	"C9H16O2"	"O2"	"CHO"	9	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	156.115135906631	157.12230620716	0.679957330115518	0.68	157	156.946968069485	0.0530319305152602	2	0.222222222222222	1.77777777777778	0	12.0088484426923	11	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+122161110.660506	159.028711879564	687.795074582142	"C6H6O5"	"O5"	"CHO"	6	6	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.021435427404	159.02879975506	-0.556098580808814	0.56	159	158.851138999183	0.14886100081722	4	0.833333333333333	1	-1	12.1555017925308	11	0.9	14	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+298744218.66525	159.0287119	679.0903234	"C6H6O5"	"O5"	"CHO"	6	6	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.02143544784	159.02879975506	-0.555969256658751	0.56	159	158.851139019596	0.148860980404066	4	0.833333333333333	1	-1	12.1555017925308	11	0.9	14	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22354996.8435978	159.065048479517	765.77126777271	"C7H10O4"	"O4"	"CHO"	7	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.057772027357	159.06518526036	-0.865385113639498	0.87	159	158.887435025364	0.112564974636371	3	0.571428571428571	1.42857142857143	-1	12.1583006775538	11	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+55079754.2401579	159.065314866228	208.454391594639	"C7H10O4"	"O4"	"CHO"	7	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.058038414068	159.06518526036	0.819989095671219	0.82	159	158.887701114625	0.112298885375139	3	0.571428571428571	1.42857142857143	-1	12.1583006775538	11	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+104971173.720298	159.080393298643	529.165812201315	"C11H10O"	"O"	"CHO"	11	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.073116846483	159.08044139346	-0.30425677663039	0.3	159	158.902762710328	0.0972372896724778	7	0.0909090909090909	0.909090909090909	6	12.1594742262538	12	1	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+138714733.86477	159.101664338253	320.286503582018	"C8H14O3"	"O3"	"CHO"	8	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	158.094387886093	159.10157076566	0.591878018182599	0.59	159	158.924009998505	0.0759900014953416	2	0.375	1.75	-1	12.1610995625769	11	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+148388766.492078	161.059565775509	263.547125076413	"C10H8O2"	"O2"	"CHO"	10	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.052289323349	161.05970595196	-0.875816594807147	0.88	161	160.879725225525	0.120274774475263	7	0.2	0.8	5	12.3117253461385	12	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+109940532.72484	161.059841052847	440.655368985429	"C10H8O2"	"O2"	"CHO"	10	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.052564600687	161.05970595196	0.844103231435565	0.84	161	160.880000195486	0.119999804514407	7	0.2	0.8	5	12.3117253461385	12	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+99278267.27	161.080687031739	126.12446010485	"C7H12O4"	"O4"	"CHO"	7	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.073410579579	161.08083532416	-0.926402582912589	0.93	161	160.900822897571	0.099177102428655	2	0.571428571428571	1.71428571428571	-2	12.3133506824615	11	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+349810590.301066	161.096053241534	167.835810821561	"C11H12O"	"O"	"CHO"	11	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	160.088776789374	161.09609145726	-0.238715834800683	0.24	161	160.916171949319	0.0838280506807791	6	0.0909090909090909	1.09090909090909	5	12.3145242311615	12	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24782884.66864	231.065176778024	368.281647499798	"C13H10O4"	"O4"	"CHO"	13	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.057900325864	231.06518526036	-0.0368704399535971	0.04	231	230.807167337393	0.192832662606719	9	0.307692307692308	0.769230769230769	5	17.6967622160154	17	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+181509423.841331	231.079787170668	187.891790206927	"C17H10O"	"O"	"CHO"	17	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.072510718508	231.08044139346	-2.84355045270194	2.84	231	230.821761415942	0.178238584057681	13	0.0588235294117647	0.588235294117647	12	17.6979357647154	18	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39420245.1033279	231.080734007209	756.148899046154	"C17H10O"	"O"	"CHO"	17	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.073457555049	231.08044139346	1.27182749416655	1.27	231	230.822707195237	0.177292804762828	13	0.0588235294117647	0.588235294117647	12	17.6979357647154	18	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+132649920.638848	231.1226892	402.660799683661	"C11H18O5"	"O5"	"CHO"	11	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.11541274784	231.12270013786	-0.0475320615783708	0.05	231	230.864615540485	0.13538445951491	3	0.454545454545455	1.63636363636364	-2	17.7011864373615	16	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+50810961.2232014	231.123162543791	639.700048861037	"C11H18O5"	"O5"	"CHO"	11	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.115886091631	231.12270013786	2.00944810416836	2.01	231	230.865088355736	0.134911644263809	3	0.454545454545455	1.63636363636364	-2	17.7011864373615	16	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+164088726.604557	307.226076016633	401.517613364331	"C19H30O3"	"O3"	"CHO"	19	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.218799564473	307.22677127606	-2.2704661764513	2.27	307	306.883024635523	0.116975364477469	5	0.157894736842105	1.57894736842105	2	23.5553457556846	22	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+114425667.311645	309.081440849647	268.28122230223	"C11H16O10"	"O10"	"CHO"	11	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.074164397487	309.08162318556	-0.591857202152507	0.59	309	308.736317751589	0.263682248411044	4	0.909090909090909	1.45454545454545	-6	23.6980266718	21	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+27675145.2276471	309.13248723431	743.938601769665	"C16H20O6"	"O6"	"CHO"	16	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.12521078215	309.13326482396	-2.5236157989976	2.52	309	308.787307137403	0.21269286259718	7	0.375	1.25	1	23.7019991055231	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+163353655.493118	309.13321481086	546.400650204313	"C16H20O6"	"O6"	"CHO"	16	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.1259383587	309.13326482396	-0.162313826205215	0.16	309	308.788033901534	0.211966098465666	7	0.375	1.25	1	23.7019991055231	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39505774.3778621	309.15436343529	178.202061645368	"C13H24O8"	"O8"	"CHO"	13	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.14708698313	309.15439419616	-0.0998252824819707	0.1	309	308.809158911221	0.190841088778598	2	0.615384615384615	1.84615384615385	-6	23.7036244418462	21	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+19832974.7602348	233.066196522789	146.101563821197	"C9H12O7"	"O7"	"CHO"	9	12	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.058920070629	233.06557919106	2.66023701567415	2.66	233	232.805952725635	0.194047274365033	4	0.777777777777778	1.33333333333333	-3	17.8506386722231	16	0.9	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+73117510.0259956	233.080933145151	419.489182833454	"C13H12O4"	"O4"	"CHO"	13	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.073656692991	233.08083532416	0.421508379629819	0.42	233	232.820672892953	0.179327107047214	8	0.307692307692308	0.923076923076923	4	17.8518122209231	17	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20834468.2964544	233.101943416982	237.588441388601	"C10H16O6"	"O6"	"CHO"	10	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.094666964822	233.10196469636	-0.0916840453049349	0.09	233	232.841659704527	0.158340295473408	3	0.6	1.6	-3	17.8534375572462	16	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+465056915.098358	309.205434	639.081627470244	"C18H28O4"	"O4"	"CHO"	18	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.19815754784	309.20603583456	-1.95275197217666	1.95	309	308.860172450083	0.139827549917413	5	0.222222222222222	1.55555555555556	1	23.7075968755692	22	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+106145239.684739	233.137767293096	497.079485697109	"C11H20O5"	"O5"	"CHO"	11	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.130490840936	233.13835020166	-2.51112450532836	2.51	233	232.87744357938	0.122556420619532	2	0.454545454545455	1.81818181818182	-3	17.8562364422692	16	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39632885.4382498	309.241918272961	658.979179180876	"C19H32O3"	"O3"	"CHO"	19	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.234641820801	309.24242133986	-1.63209072144423	1.63	309	308.896615984378	0.103384015621543	4	0.157894736842105	1.68421052631579	1	23.7103957605923	22	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+140331368.943965	233.153532445899	645.719225506473	"C15H20O2"	"O2"	"CHO"	15	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.146255993739	233.15360633476	-0.318285818109904	0.32	233	232.893191128673	0.10680887132699	6	0.133333333333333	1.33333333333333	4	17.8574099909692	17	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+69229086.9201508	233.174075740332	576.900631675484	"C12H24O4"	"O4"	"CHO"	12	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.166799288172	233.17473570696	-2.84263998999937	2.84	233	232.91371148428	0.0862885157200708	1	0.333333333333333	2	-3	17.8590353272923	16	0.9	26	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22670613.6755034	233.189844144542	622.004308629929	"C16H24O"	"O"	"CHO"	16	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.182567692382	233.18999184006	-0.636118031871359	0.64	233	232.929462281349	0.0705377186510816	5	0.0625	1.5	4	17.8602088759923	17	1	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26166796.5328439	233.189844604912	689.009973791326	"C16H24O"	"O"	"CHO"	16	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.182568152752	233.18999184006	-0.63413523753088	0.63	233	232.929462741205	0.0705372587951558	5	0.0625	1.5	4	17.8602088759923	17	1	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25376705.6065294	235.096230632649	793.140473720792	"C13H14O4"	"O4"	"CHO"	13	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.088954180489	235.09648538796	-1.0882842033136	1.09	235	234.833720081272	0.166279918727582	7	0.307692307692308	1.07692307692308	3	18.0068622258308	17	0.9	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+240163667.751388	165.127220211145	523.482617082318	"C11H16O"	"O"	"CHO"	11	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.119943758985	165.12739158486	-1.04419798764492	1.04	165	164.942837681879	0.0571623181208452	4	0.0909090909090909	1.45454545454545	3	12.6246242409769	12	1	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+321858491.387769	167.069883439913	267.035989263785	"C9H10O3"	"O3"	"CHO"	9	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.062606987753	167.07027063806	-2.33163957870522	2.33	167	166.883331715531	0.116668284469	5	0.333333333333333	1.11111111111111	2	12.7740764758385	12	0.9	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+267275728.57463	311.1848304	620.978161370869	"C17H26O5"	"O5"	"CHO"	17	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.17755394784	311.18530039306	-1.51523878505116	1.52	311	310.837358638379	0.162641361620786	5	0.294117647058824	1.52941176470588	0	23.8598479954538	22	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+158462113.629742	311.185566428356	572.38008321783	"C17H26O5"	"O5"	"CHO"	17	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.178289976196	311.18530039306	0.857685094731804	0.86	311	310.838093844879	0.161906155120562	5	0.294117647058824	1.52941176470588	0	23.8598479954538	22	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25511311.4222142	235.153665035859	552.858307077716	"C11H22O5"	"O5"	"CHO"	11	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.146388583699	235.15400026546	-1.43170946617684	1.43	235	234.891090352715	0.108909647285287	1	0.454545454545455	2	-4	18.0112864471769	16	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20582162.6767591	167.085534268717	562.037251522815	"C13H10"	""	"CH"	13	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.078257816557	167.08552677116	0.0451447232864865	0.05	167	166.89896506848	0.101034931520275	9	0	0.769230769230769	9	12.7752500245385	13	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+188523264.568547	311.221665	603.095722911071	"C18H30O4"	"O4"	"CHO"	18	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.21438854784	311.22168589836	-0.0673674747637897	0.07	311	310.874152108536	0.125847891464218	4	0.222222222222222	1.66666666666667	0	23.8626468804769	22	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24301161.6106952	453.175976147158	447.145255853045	"C22H28O10"	"O10"	"CHO"	22	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	452.168699694998	453.17552356836	1.00090695873514	1	453	452.669955803706	0.330044196294011	9	0.454545454545455	1.27272727272727	-1	34.7821728550923	32	0.9	46	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+147357308.834517	167.142934262498	647.20651575035	"C11H18O"	"O"	"CHO"	11	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.135657810338	167.14304164866	-0.64637636143473	0.65	167	166.956300968915	0.0436990310851399	3	0.0909090909090909	1.63636363636364	2	12.7796742458846	12	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+127015330.645577	169.049393451754	225.490641593412	"C8H8O4"	"O4"	"CHO"	8	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.042116999594	169.04953519656	-0.84350761882489	0.84	169	168.860631388809	0.139368611191344	5	0.5	1	1	12.9263275957231	12	0.9	18	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40193702.4863982	169.04939644615	707.609012359609	"C8H8O4"	"O4"	"CHO"	8	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.04211999399	169.04953519656	-0.825688285644524	0.83	169	168.860634379861	0.139365620138904	5	0.5	1	1	12.9263275957231	12	0.9	18	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+150903793.802494	237.075276506845	341.963652114747	"C12H12O5"	"O5"	"CHO"	12	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.068000054685	237.07574994646	-2.00552220079527	2.01	237	236.810556135165	0.189443864834686	7	0.416666666666667	1	2	18.1591133457154	17	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+479028587.07876	313.165444630826	495.809747120287	"C16H24O6"	"O6"	"CHO"	16	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.158168178666	313.16456495156	2.81805621534438	2.82	313	312.815761297661	0.18423870233886	5	0.375	1.5	-1	24.0120991153385	22	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+270614228.370818	313.200401821199	653.432820075635	"C17H28O5"	"O5"	"CHO"	17	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.193125369039	313.20095045686	-1.75735984032179	1.76	313	312.850679454523	0.14932054547694	4	0.294117647058824	1.64705882352941	-1	24.0148980003615	22	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+117528634.611138	313.200401821665	695.0185885	"C17H28O5"	"O5"	"CHO"	17	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.193125369505	313.20095045686	-1.75735834764585	1.76	313	312.850679454989	0.149320545011449	4	0.294117647058824	1.64705882352941	-1	24.0148980003615	22	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143490271.579484	313.236850917603	656.565208372698	"C18H32O4"	"O4"	"CHO"	18	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.229574465443	313.23733596216	-1.55348691038548	1.55	313	312.88708785154	0.1129121484596	3	0.222222222222222	1.77777777777778	-1	24.0176968853846	22	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+102082199.704595	237.133085988785	279.620113742371	"C10H20O6"	"O6"	"CHO"	10	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.125809536625	237.13326482396	-0.757372416668237	0.76	237	236.868301066521	0.131698933478646	1	0.6	2	-5	18.1635375670615	16	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+27030894.4774987	171.064898239292	778.350805456706	"C8H10O4"	"O4"	"CHO"	8	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.057621787132	171.06518526036	-1.68778714525159	1.69	171	170.873885645695	0.126114354304804	4	0.5	1.25	0	13.0813776006308	12	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+231592693	315.180039594825	615.847168660012	"C16H26O6"	"O6"	"CHO"	16	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.172763142665	315.18021501536	-0.558356915487261	0.56	315	314.828106746926	0.171893253074245	4	0.375	1.625	-2	24.1671491202462	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26707395.1986092	171.080509850501	493.652820724188	"C12H10O"	"O"	"CHO"	12	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.073233398341	171.08044139346	0.402515079026845	0.4	171	170.88947982484	0.11052017516036	8	0.0833333333333333	0.833333333333333	7	13.0825511493308	13	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25213465.6129754	171.080510166407	547.375720745937	"C12H10O"	"O"	"CHO"	12	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.073233714247	171.08044139346	0.404372548819628	0.4	171	170.889480140393	0.110519859607081	8	0.0833333333333333	0.833333333333333	7	13.0825511493308	13	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+363244779.88963	315.195056096973	248.782956595822	"C20H26O3"	"O3"	"CHO"	20	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.187779644813	315.19547114846	-1.32103001412492	1.32	315	314.843106481513	0.156893518486697	8	0.15	1.3	5	24.1683226689462	23	1	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+83845874.2163603	239.0765825642	296.4493099	"C8H14O8"	"O8"	"CHO"	8	14	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.06930611204	239.07614387716	1.84268626294963	1.84	239	238.809627516298	0.190372483702163	2	1	1.75	-6	18.3129898019231	16	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20000077.7055132	171.116849302095	540.344512868388	"C13H14"	""	"CH"	13	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.109572849935	171.11682689876	0.131699437215807	0.13	171	170.925778699477	0.0742213005226233	7	0	1.07692307692308	7	13.0853500343538	13	1	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22260939.3101457	171.117149357344	486.051718942697	"C13H14"	""	"CH"	13	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.109872905184	171.11682689876	1.89559005895227	1.9	171	170.926078419682	0.0739215803180002	7	0	1.07692307692308	7	13.0853500343538	13	1	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45869913.3517057	171.137875509749	265.029387846885	"C10H18O2"	"O2"	"CHO"	10	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.130599057589	171.13795627096	-0.4747012673944	0.47	171	170.94678142908	0.0532185709199382	2	0.2	1.8	0	13.0869753706769	12	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+49752446.7611134	171.137876913025	484.858728481678	"C10H18O2"	"O2"	"CHO"	10	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.130600460865	171.13795627096	-0.466453035363237	0.47	171	170.946782830789	0.0532171692108534	2	0.2	1.8	0	13.0869753706769	12	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+64867274.1986474	171.137877229445	563.929029953629	"C10H18O2"	"O2"	"CHO"	10	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.130600777285	171.13795627096	-0.464593169203447	0.46	171	170.946783146856	0.0532168531441641	2	0.2	1.8	0	13.0869753706769	12	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141520223.290595	171.137877553161	620.281261165586	"C10H18O2"	"O2"	"CHO"	10	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.130601101001	171.13795627096	-0.462690418359354	0.46	171	170.94678347021	0.053216529789637	2	0.2	1.8	0	13.0869753706769	12	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21483386.2194604	171.174648144247	1100.85545254351	"C11H22O"	"O"	"CHO"	11	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.167371692087	171.17434177626	1.80039207242419	1.8	171	170.983513002926	0.0164869970741393	1	0.0909090909090909	2	0	13.0897742557	12	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+99256677.6137718	173.080595889975	183.103610179761	"C8H12O4"	"O4"	"CHO"	8	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.073319437815	173.08083532416	-1.39146606683244	1.39	173	172.887332550374	0.112667449625974	3	0.5	1.5	-1	13.2364276055385	12	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+101489125.502986	173.080901779109	266.609086698774	"C8H12O4"	"O4"	"CHO"	8	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.073625326949	173.08083532416	0.386200667769644	0.39	173	172.88763809795	0.11236190205048	3	0.5	1.5	-1	13.2364276055385	12	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+117011702.766555	173.095876488337	513.105728713638	"C12H12O"	"O"	"CHO"	12	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.088600036177	173.09609145726	-1.24917584862893	1.25	173	172.902596086283	0.0974039137165903	7	0.0833333333333333	1	6	13.2376011542385	13	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51519009.6199719	173.095877135651	587.833470340927	"C12H12O"	"O"	"CHO"	12	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.088600683491	173.09609145726	-1.24541432817952	1.25	173	172.902596732875	0.0974032671254008	7	0.0833333333333333	1	6	13.2376011542385	13	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+122473365.644601	173.117269921729	457.983202335545	"C9H16O3"	"O3"	"CHO"	9	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.109993469569	173.11722082946	0.285237759906922	0.29	173	172.923965631577	0.0760343684234499	2	0.333333333333333	1.77777777777778	-1	13.2392264905615	12	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+86531399.5240729	173.117574854268	325.302313124964	"C9H16O3"	"O3"	"CHO"	9	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.110298402108	173.11722082946	2.05696469825049	2.06	173	172.924270223625	0.0757297763748284	2	0.333333333333333	1.77777777777778	-1	13.2392264905615	12	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+98786483.8330212	173.132248282129	494.508571679994	"C13H16"	""	"CH"	13	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.124971829969	173.13247696256	-1.32857207497416	1.33	173	172.938927267006	0.0610727329944609	6	0	1.23076923076923	6	13.2404000392615	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+62629833.5414104	173.13224860212	559.321046185477	"C13H16"	""	"CH"	13	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.12497214996	173.13247696256	-1.32671301054262	1.33	173	172.938927586639	0.0610724133607903	6	0	1.23076923076923	6	13.2404000392615	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58133373.8010453	173.1328603	597.034025840017	"C13H16"	""	"CH"	13	16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	172.12558384784	173.13247696256	2.22707996942475	2.23	173	172.939538601492	0.060461398508096	6	0	1.23076923076923	6	13.2404000392615	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+202239051.974764	175.075546676806	340.793831383421	"C11H10O2"	"O2"	"CHO"	11	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.068270224646	175.07535601576	1.0953233794139	1.1	175	174.880055757334	0.119944242665611	7	0.181818181818182	0.909090909090909	5	13.3898522741231	13	1	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119058373.781775	175.096375115537	198.861067783159	"C8H14O4"	"O4"	"CHO"	8	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.089098663377	175.09648538796	-0.633425204952692	0.63	175	174.900860938845	0.0991390611553697	2	0.5	1.75	-2	13.3914776104462	12	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+158158492.298737	175.096376532593	415.04188522267	"C8H14O4"	"O4"	"CHO"	8	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.089100080433	175.09648538796	-0.625285367886318	0.63	175	174.900862354318	0.0991376456816511	2	0.5	1.75	-2	13.3914776104462	12	0.9	18	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25767350.0773913	243.085801134182	214.635242829603	"C11H14O6"	"O6"	"CHO"	11	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.078524682022	243.08631463256	-2.12120583057459	2.12	243	242.814369357008	0.185630642992095	5	0.545454545454545	1.27272727272727	-1	18.6214644754154	17	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+158655015.7	243.086820755952	487.821141289752	"C11H14O6"	"O6"	"CHO"	11	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.079544303792	243.08631463256	2.09073176114849	2.09	243	242.815387840259	0.18461215974088	5	0.545454545454545	1.27272727272727	-1	18.6214644754154	17	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24514391.4376068	175.147998308558	316.301242819515	"C13H18"	""	"CH"	13	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.140721856398	175.14812702636	-0.739159690089292	0.74	175	174.952426488947	0.0475735110528888	5	0	1.38461538461538	5	13.3954500441692	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+146755087.996796	175.147999717578	566.063185899895	"C13H18"	""	"CH"	13	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.140723265418	175.14812702636	-0.731068411862183	0.73	175	174.952427896394	0.0475721036061998	5	0	1.38461538461538	5	13.3954500441692	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123432047.973146	175.147999717724	537.524051582438	"C13H18"	""	"CH"	13	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.140723265564	175.14812702636	-0.731067573445842	0.73	175	174.95242789654	0.047572103460368	5	0	1.38461538461538	5	13.3954500441692	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+57300598.6	175.148310441846	480.076479927079	"C13H18"	""	"CH"	13	18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.141033989686	175.14812702636	1.05325828047733	1.05	175	174.952738273704	0.0472617262956874	5	0	1.38461538461538	5	13.3954500441692	13	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+107904667.033785	177.039422752008	679.22765388621	"C6H8O6"	"O6"	"CHO"	6	8	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.032146299848	177.03936444116	0.331251133557244	0.33	177	176.841738950966	0.158261049033626	3	1	1.33333333333333	-3	13.5409298453077	12	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+220036945.373964	177.039738502911	611.316744984922	"C6H8O6"	"O6"	"CHO"	6	8	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.032462050751	177.03936444116	2.12495892325623	2.12	177	176.842054349299	0.157945650700896	3	1	1.33333333333333	-3	13.5409298453077	12	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+912501725.9	177.05459583337	323.126387792137	"C10H8O3"	"O3"	"CHO"	10	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.04731938121	177.05462057426	-0.1405354543268	0.14	177	176.85689508993	0.143104910069809	7	0.3	0.8	4	13.5421033940077	13	1	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+183010565.503997	177.090640294028	391.287641439995	"C11H12O2"	"O2"	"CHO"	11	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.083363841868	177.09100607956	-2.07734293592824	2.08	177	176.892899303021	0.10710069697862	6	0.181818181818182	1.09090909090909	4	13.5449022790308	13	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46473114.0370035	177.090957255896	523.562339978632	"C11H12O2"	"O2"	"CHO"	11	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.083680803736	177.09100607956	-0.277275348740599	0.28	177	176.893215910967	0.106784089033056	6	0.181818181818182	1.09090909090909	4	13.5449022790308	13	1	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+320352268.890846	177.112147092172	479.197218246844	"C8H16O4"	"O4"	"CHO"	8	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.104870640012	177.11213545176	0.0660993188635575	0.07	177	176.914382086482	0.0856179135175523	1	0.5	2	-3	13.5465276153538	12	0.9	18	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+165763840.323861	177.127013874068	514.069110797027	"C12H16O"	"O"	"CHO"	12	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.119737421908	177.12739158486	-2.14462500063465	2.14	177	176.929232267997	0.07076773200302	5	0.0833333333333333	1.33333333333333	4	13.5477011640538	13	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+102741553.64397	177.127330536075	551.3099138	"C12H16O"	"O"	"CHO"	12	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.120054083915	177.12739158486	-0.346631650309378	0.35	177	176.929548576416	0.0704514235836484	5	0.0833333333333333	1.33333333333333	4	13.5477011640538	13	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+89379080.665226	177.127330871385	630.395186996378	"C12H16O"	"O"	"CHO"	12	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.120054419225	177.12739158486	-0.344727777846506	0.34	177	176.929548911352	0.0704510886480705	5	0.0833333333333333	1.33333333333333	4	13.5477011640538	13	1	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35330048.1068321	177.1633986	623.304947830693	"C13H20"	""	"CH"	13	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.15612214784	177.16377709016	-2.14860633511993	2.15	177	176.965576366419	0.0344236335810422	4	0	1.53846153846154	4	13.5505000490769	13	1	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+41390516.0614209	177.163714368589	480.903419735464	"C13H20"	""	"CH"	13	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.156437916429	177.16377709016	-0.356056081402191	0.36	177	176.965891782418	0.0341082175820588	4	0	1.53846153846154	4	13.5505000490769	13	1	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+77637466.3417922	177.163715031585	605.673317012682	"C13H20"	""	"CH"	13	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.156438579425	177.16377709016	-0.352292402693533	0.35	177	176.965892444674	0.0341075553263579	4	0	1.53846153846154	4	13.5505000490769	13	1	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35926202.0202333	177.163715381495	682.29791590898	"C13H20"	""	"CH"	13	20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	176.156438929335	177.16377709016	-0.350306042687191	0.35	177	176.965892794193	0.0341072058070893	4	0	1.53846153846154	4	13.5505000490769	13	1	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+42432889.5386068	179.0702823	126.124717972286	"C10H10O3"	"O3"	"CHO"	10	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.06300584784	179.07027063806	0.0654933344392238	0.07	179	178.870330823044	0.129669176955758	6	0.3	1	3	13.6971533989154	13	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+70135159.3091399	179.070335262278	262.600314189759	"C10H10O3"	"O3"	"CHO"	10	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.063058810118	179.07027063806	0.362928832235536	0.36	179	178.870383726184	0.129616273815913	6	0.3	1	3	13.6971533989154	13	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+358399345.6	179.07060531447	361.483923618982	"C10H10O3"	"O3"	"CHO"	10	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.06332886231	179.07027063806	1.87953584893503	1.88	179	178.870653476833	0.129346523166618	6	0.3	1	3	13.6971533989154	13	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+200312048.907954	179.085113577331	176.468361964979	"C14H10"	""	"CH"	14	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.077837125171	179.08552677116	-2.32029900906858	2.32	179	178.885145539638	0.114854460361556	10	0	0.714285714285714	10	13.6983269476154	14	1	30	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79308064.1896676	327.14320523704	578.7216359	"C16H22O7"	"O7"	"CHO"	16	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.13592878488	327.14382951006	-1.9141497913551	1.91	327	326.777914211511	0.222085788489323	6	0.4375	1.375	-1	25.0874271583	23	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+33929713.839646	327.159087901286	762.517768078145	"C20H22O4"	"O4"	"CHO"	20	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.151811449126	327.15908564316	0.00692354277232969	0.01	327	326.793779141032	0.206220858968095	10	0.2	1.1	6	25.088600707	24	1	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123785238.326766	179.14297825563	569.4815773693	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.13570180347	179.14304164866	-0.355869313944434	0.36	179	178.942945605721	0.0570543942792767	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+53441536.1165469	179.142978255892	535.368205265494	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.135701803732	179.14304164866	-0.355867843203824	0.36	179	178.942945605982	0.0570543940175696	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38495866.6367734	179.142978948689	687.860542894354	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.135702496529	179.14304164866	-0.351978688738804	0.35	179	178.942946298006	0.0570537019941355	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+64460429.1873069	179.143301	706.291954409187	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.13602454784	179.14304164866	1.45591741298978	1.46	179	178.943267989712	0.0567320102884992	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+55171779.7356824	179.143301035373	715.350744421009	"C12H18O"	"O"	"CHO"	12	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.136024583213	179.14304164866	1.45611598570656	1.46	179	178.943268025045	0.0567319749549995	4	0.0833333333333333	1.5	3	13.7027511689615	13	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185928094.916209	181.049635523905	794.377502871597	"C9H8O4"	"O4"	"CHO"	9	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.042359071745	181.04953519656	0.557243004040863	0.56	181	180.847473883457	0.152526116543299	6	0.444444444444444	0.888888888888889	2	13.8494045188	13	0.9	20	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+87684265.8180305	249.148816119305	460.767246166077	"C15H20O3"	"O3"	"CHO"	15	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.141539667145	249.14852095706	1.18949147078442	1.19	249	248.870614325434	0.129385674565953	6	0.2	1.33333333333333	3	19.0877880388385	18	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+158641061.564314	249.169399166473	504.002040383533	"C12H24O5"	"O5"	"CHO"	12	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.162122714313	249.16965032926	-1.01209154819298	1.01	249	248.891174389388	0.108825610612286	1	0.416666666666667	2	-4	19.0894133751615	17	0.9	26	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+121968964.035363	329.159737818459	471.395517617284	"C16H24O7"	"O7"	"CHO"	16	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.152461366299	329.15947957386	0.78696529640219	0.79	329	328.792195114634	0.20780488536559	5	0.4375	1.5	-2	25.2424771632077	23	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+61395339.7724916	329.174962901292	385.375203611781	"C20H24O4"	"O4"	"CHO"	20	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.167686449132	329.17473570696	0.6923117095128	0.69	329	328.807403197004	0.192596802996093	9	0.2	1.2	5	25.2436507119077	24	1	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+353623630.054882	329.195002515318	631.622401526547	"C17H28O6"	"O6"	"CHO"	17	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.187726063158	329.19586507916	-2.62826356234262	2.63	329	328.827420434618	0.172579565382136	4	0.352941176470588	1.64705882352941	-2	25.2452760482308	23	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30201903.5222842	181.158541822123	641.5670959	"C12H20O"	"O"	"CHO"	12	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.151265369963	181.15869171246	-0.832024891446555	0.83	181	180.956258575929	0.0437414240708165	3	0.0833333333333333	1.66666666666667	2	13.8578011738692	13	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+62610833.1319755	329.231874242463	658.436694891021	"C18H32O5"	"O5"	"CHO"	18	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.224597790303	329.23225058446	-1.14659900416457	1.15	329	328.864250990463	0.135749009537051	3	0.277777777777778	1.77777777777778	-2	25.2480749332538	23	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+101710219.893336	329.231874242637	693.760725029301	"C18H32O5"	"O5"	"CHO"	18	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.224597790477	329.23225058446	-1.14659847404615	1.15	329	328.864250990637	0.13574900936328	3	0.277777777777778	1.77777777777778	-2	25.2480749332538	23	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40611893.6312276	183.080265933829	668.380999169441	"C13H10O"	"O"	"CHO"	13	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.072989481669	183.08044139346	-0.963677432379142	0.96	183	182.875836873324	0.124163126675825	9	0.0769230769230769	0.769230769230769	8	14.0056280724077	14	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30009486.7650678	183.0805983	668.783943079033	"C13H10O"	"O"	"CHO"	13	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.07332184784	183.08044139346	0.861776664436486	0.86	183	182.876168868372	0.123831131627867	9	0.0769230769230769	0.769230769230769	8	14.0056280724077	14	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+68593804.9255498	183.10120921319	548.781324347459	"C10H14O3"	"O3"	"CHO"	10	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.09393276103	183.10157076566	-1.98552727438303	1.99	183	182.896756767232	0.103243232767653	4	0.3	1.4	1	14.0072534087308	13	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+1295029148.7285	183.101540976288	425.465634432286	"C10H14O3"	"O3"	"CHO"	10	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.094264524128	183.10157076566	-0.163593137242521	0.16	183	182.897088159881	0.102911840119305	4	0.3	1.4	1	14.0072534087308	13	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+382276993.61676	183.101541686054	537.622954066166	"C10H14O3"	"O3"	"CHO"	10	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.094265233894	183.10157076566	-0.159695342251206	0.16	183	182.897088868854	0.102911131145845	4	0.3	1.4	1	14.0072534087308	13	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+69586220.22	331.247553677299	594.115797271509	"C18H34O5"	"O5"	"CHO"	18	34	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.240277225139	331.24790064826	-1.0506621539925	1.05	331	330.877679699635	0.122320300365288	2	0.277777777777778	1.88888888888889	-3	25.4031249381615	23	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+154562393.106717	185.080360091284	216.28583336375	"C9H12O4"	"O4"	"CHO"	9	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.073083639124	185.08083532416	-2.58176191001858	2.58	185	184.873697707775	0.126302292225063	4	0.444444444444444	1.33333333333333	0	14.1595045286154	13	0.9	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+250135963.796113	185.080698695242	323.297057990766	"C9H12O4"	"O4"	"CHO"	9	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.073422243082	185.08083532416	-0.742252283544697	0.74	185	184.874035933645	0.125964066355266	4	0.444444444444444	1.33333333333333	0	14.1595045286154	13	0.9	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34693844.926424	185.081036963993	383.199684514465	"C9H12O4"	"O4"	"CHO"	9	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.073760511833	185.08083532416	1.09542953017086	1.1	185	184.874373824682	0.12562617531816	4	0.444444444444444	1.33333333333333	0	14.1595045286154	13	0.9	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+155544713.472836	333.190374703384	583.322396562975	"C16H28O7"	"O7"	"CHO"	16	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.183098251224	333.19077970146	-1.21920133232763	1.22	333	332.818331354406	0.1816686455943	3	0.4375	1.75	-4	25.5525771730231	23	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+87750587.7988955	185.153365518928	530.019272600975	"C11H20O2"	"O2"	"CHO"	11	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.146089066768	185.15360633476	-1.30774339667647	1.31	185	184.946621616906	0.053378383093758	2	0.181818181818182	1.81818181818182	0	14.1651022986615	13	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+55770736.754425	185.15370431283	661.303285010504	"C11H20O2"	"O2"	"CHO"	11	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.14642786067	185.15360633476	0.532066090698407	0.53	185	184.946960032508	0.0530399674920545	2	0.181818181818182	1.81818181818182	0	14.1651022986615	13	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20053806.3499105	185.15370575437	927.9974854	"C11H20O2"	"O2"	"CHO"	11	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.14642930221	185.15360633476	0.539894313302728	0.54	185	184.946961472438	0.0530385275616823	2	0.181818181818182	1.81818181818182	0	14.1651022986615	13	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175469499.849053	187.060281671329	130.280171473231	"C8H10O5"	"O5"	"CHO"	8	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.053005219169	187.06009988266	0.977079992856789	0.98	187	186.851408489696	0.148591510304129	4	0.625	1.25	-1	14.3117556485	13	0.9	18	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23869581.9170081	187.0756398	466.095381	"C12H10O2"	"O2"	"CHO"	12	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.06836334784	187.07535601576	1.52516115523875	1.53	187	186.866749469343	0.133250530656795	8	0.166666666666667	0.833333333333333	6	14.3129291972	14	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+85917318.58	187.096242074815	349.635162114976	"C9H14O4"	"O4"	"CHO"	9	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.088965622655	187.09648538796	-1.30750979345827	1.31	187	186.887328739474	0.112671260525929	3	0.444444444444444	1.55555555555556	-1	14.3145545335231	13	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+137732425.286826	187.096584719501	275.494993884081	"C9H14O4"	"O4"	"CHO"	9	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.089308267341	187.09648538796	0.533784245496757	0.53	187	186.88767100156	0.112328998440034	3	0.444444444444444	1.55555555555556	-1	14.3145545335231	13	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+108329239.797797	187.096585874517	429.798991594445	"C9H14O4"	"O4"	"CHO"	9	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.089309422357	187.09648538796	0.539991025277949	0.54	187	186.887672155286	0.112327844713747	3	0.444444444444444	1.55555555555556	-1	14.3145545335231	13	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+276404808.595968	187.111354631899	152.067814465545	"C13H14O"	"O"	"CHO"	13	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.104078179739	187.11174152106	-2.07888599105906	2.08	187	186.902424421742	0.0975755782581871	7	0.0769230769230769	1.07692307692308	6	14.3157280822231	14	1	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+64729771.7937871	187.132650641276	600.311240895083	"C10H18O3"	"O3"	"CHO"	10	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.125374189116	187.13287089326	-1.1833528069418	1.18	187	186.923696651805	0.0763033481954949	2	0.3	1.8	-1	14.3173534185462	13	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+249066153.620675	187.13299380092	547.881909516666	"C10H18O3"	"O3"	"CHO"	10	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	186.12571734876	187.13287089326	0.660347542244685	0.66	187	186.924039428273	0.0759605717266254	2	0.3	1.8	-1	14.3173534185462	13	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+89345408.79	189.054862134823	526.475171182285	"C11H8O3"	"O3"	"CHO"	11	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.047585682663	189.05462057426	1.28457146687948	1.28	189	188.843761786826	0.156238213174419	8	0.272727272727273	0.727272727272727	5	14.4651803170846	14	1	24	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+63573412.2698341	189.075706307476	159.140435764443	"C8H12O5"	"O5"	"CHO"	8	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.068429855316	189.07574994646	-0.232037796263614	0.23	189	188.864582684689	0.135417315310832	3	0.625	1.5	-2	14.4668056534077	13	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+162306180.525514	189.09044750283	541.037677818399	"C12H12O2"	"O2"	"CHO"	12	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.08317105067	189.09100607956	-2.96983896482802	2.97	189	188.879307419893	0.12069258010726	7	0.166666666666667	1	5	14.4679792021077	14	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39959220.9222215	255.122433514189	658.987958219062	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.115157062029	255.12270013786	-1.04922380093254	1.05	255	254.837561525769	0.162438474230896	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+912529724.020369	189.112081938728	496.359929989364	"C9H16O4"	"O4"	"CHO"	9	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.104805486568	189.11213545176	-0.284485193494468	0.28	189	188.900917698586	0.0990823014136311	2	0.444444444444444	1.77777777777778	-2	14.4696045384308	13	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+132794541.042587	189.112429745231	300.751993611608	"C9H16O4"	"O4"	"CHO"	9	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.105153293071	189.11213545176	1.56451572882809	1.56	189	188.901265116726	0.0987348832744885	2	0.444444444444444	1.77777777777778	-2	14.4696045384308	13	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+324448659.218895	189.127435633917	449.428145	"C13H16O"	"O"	"CHO"	13	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.120159181757	189.12739158486	0.234153836577311	0.23	189	188.916254249702	0.0837457502978509	6	0.0769230769230769	1.23076923076923	5	14.4707780871308	14	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23123217.0732313	189.14837971364	344.729953492179	"C10H20O3"	"O3"	"CHO"	10	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.14110326148	189.14852095706	-0.750731326483951	0.75	189	188.937174943079	0.0628250569213833	1	0.3	2	-2	14.4724034234538	13	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+101041741.232082	189.148380502661	456.37442202229	"C10H20O3"	"O3"	"CHO"	10	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.141104050501	189.14852095706	-0.746537550690195	0.75	189	188.937175731219	0.0628242687813838	1	0.3	2	-2	14.4724034234538	13	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52272673.3848668	191.055028080515	161.772962904138	"C7H10O6"	"O6"	"CHO"	7	10	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.047751628355	191.05501450496	0.0714323367227086	0.07	191	190.841694329354	0.15830567064603	3	0.857142857142857	1.42857142857143	-3	14.6190567732923	13	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+96028582.3243489	257.101317993588	413.215250754874	"C12H16O6"	"O6"	"CHO"	12	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.094041541428	257.10196469636	-2.5252550511568	2.53	257	256.81423636508	0.185763634920136	5	0.5	1.33333333333333	-1	19.6995914034	18	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+67634925.9743873	343.0446095	271.55433605433	"C17H10O8"	"O8"	"CHO"	17	10	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.03733304784	343.04484374956	-0.684865473455804	0.68	343	342.661562824414	0.338437175585909	13	0.470588235294118	0.588235294117647	5	26.3105820998	25	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+131698366.38028	343.060810161849	306.303104729377	"C21H10O5"	"O5"	"CHO"	21	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.053533709689	343.06009988266	2.0765146944482	2.08	343	342.677745396459	0.322254603540614	17	0.238095238095238	0.476190476190476	12	26.3117556485	26	1	44	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141328241.046816	343.101742947235	451.159273770574	"C15H18O9"	"O9"	"CHO"	15	18	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.094466495075	343.10235862706	-1.79973628716343	1.8	343	342.718632475931	0.281367524068514	7	0.6	1.2	-2	26.3150063211462	24	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34597475.9716804	343.138415409358	331.43965183015	"C16H22O8"	"O8"	"CHO"	16	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.131138957198	343.13874413236	-0.960809948451312	0.96	343	342.755263989256	0.244736010744305	6	0.5	1.375	-2	26.3178052061692	24	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21225097.3874204	191.127695772814	320.254485818984	"C9H18O4"	"O4"	"CHO"	9	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.120419320654	191.12778551556	-0.472031075385772	0.47	191	190.914280880259	0.0857191197414409	1	0.444444444444444	2	-3	14.6246545433385	13	0.9	20	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+306047533	191.142944475175	499.985852991097	"C13H18O"	"O"	"CHO"	13	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.135668023015	191.14304164866	-0.511074465926227	0.51	191	190.929512555782	0.0704874442177186	5	0.0769230769230769	1.38461538461538	4	14.6258280920385	14	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25661012.3479961	193.03419465889	570.479752234975	"C6H8O7"	"O7"	"CHO"	6	8	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.02691820673	193.03427906346	-0.439545511596473	0.44	193	192.818650952646	0.181349047353507	3	1.16666666666667	1.33333333333333	-4	14.7713078931769	13	0.9	14	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+101367721.15723	343.175951682021	606.197914695425	"C17H26O7"	"O7"	"CHO"	17	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.168675229861	343.17512963766	2.40245358643881	2.4	343	342.792758348581	0.207241651418713	5	0.411764705882353	1.52941176470588	-2	26.3206040911923	24	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+594443514.053135	343.210931027628	371.977404956547	"C18H30O6"	"O6"	"CHO"	18	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.203654575468	343.21151514296	-1.70692312643832	1.71	343	342.827698635939	0.172301364061468	4	0.333333333333333	1.66666666666667	-2	26.3234029762154	24	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+106525627.727393	259.153722759661	517.057639096955	"C13H22O5"	"O5"	"CHO"	13	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.146446307501	259.15400026546	-1.07499368286033	1.07	259	258.864349397656	0.135650602344242	3	0.384615384615385	1.69230769230769	-2	19.8574402933308	18	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+133248631.117119	259.153722759835	470.910302282452	"C13H22O5"	"O5"	"CHO"	13	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.146446307675	259.15400026546	-1.07499300883249	1.07	259	258.86434939783	0.135650602170472	3	0.384615384615385	1.69230769230769	-2	19.8574402933308	18	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+91159620.9835058	259.15372323861	576.228193508224	"C13H22O5"	"O5"	"CHO"	13	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.14644678645	259.15400026546	-1.07313834250709	1.07	259	258.86434987607	0.135650123930077	3	0.384615384615385	1.69230769230769	-2	19.8574402933308	18	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+85195142.5113553	259.153723238901	583.835925394186	"C13H22O5"	"O5"	"CHO"	13	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.146446786741	259.15400026546	-1.07313721509038	1.07	259	258.864349876361	0.135650123639323	3	0.384615384615385	1.69230769230769	-2	19.8574402933308	18	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56030460.3468457	285.082127290856	184.687760319344	"C9H16O10"	"O10"	"CHO"	9	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.074850838696	285.08162318556	1.77455094865577	1.77	285	284.763802040718	0.236197959282379	2	1.11111111111111	1.77777777777778	-8	21.8518728256462	19	0.9	20	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+66824842.5	193.158416876848	534.08724134766	"C13H20O"	"O"	"CHO"	13	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.151140424688	193.15869171246	-1.43030955421999	1.43	193	192.942734462966	0.0572655370338282	4	0.0769230769230769	1.53846153846154	3	14.7808780969462	14	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52283892.8636436	193.158777480649	603.228373770017	"C13H20O"	"O"	"CHO"	13	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.151501028489	193.15869171246	0.446357111635054	0.45	193	192.943094664114	0.0569053358862561	4	0.0769230769230769	1.53846153846154	3	14.7808780969462	14	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24158813.4295672	193.158778623119	799.70337448269	"C13H20O"	"O"	"CHO"	13	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.151502170959	193.15869171246	0.45230278190382	0.45	193	192.943095805308	0.0569041946919526	4	0.0769230769230769	1.53846153846154	3	14.7808780969462	14	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39856366.0920485	193.159138101845	652.886061866422	"C13H20O"	"O"	"CHO"	13	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.151861649685	193.15869171246	2.32310726088107	2.32	193	192.943454882637	0.0565451173631004	4	0.0769230769230769	1.53846153846154	3	14.7808780969462	14	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35684879.0143421	195.050484057154	192.843487962193	"C6H10O7"	"O7"	"CHO"	6	10	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.043207604994	195.04992912726	2.85982643173901	2.86	195	194.832688944156	0.167311055844294	2	1.16666666666667	1.66666666666667	-5	14.9263578980846	13	0.9	14	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119040375.056861	261.148075184002	553.646211268833	"C16H20O3"	"O3"	"CHO"	16	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.140798731842	261.14852095706	-1.71358379837919	1.71	261	260.856474910263	0.143525089737011	7	0.1875	1.25	4	20.0108649619154	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+99605443.83	261.148641982929	603.541433667251	"C16H20O3"	"O3"	"CHO"	16	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.141365530769	261.14852095706	0.465231159119238	0.47	261	260.857041076297	0.142958923702736	7	0.1875	1.25	4	20.0108649619154	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+61288745.6339155	261.169596552654	589.256127523527	"C13H24O5"	"O5"	"CHO"	13	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.162320100494	261.16965032926	-0.206704052861045	0.21	261	260.877972247963	0.122027752037468	2	0.384615384615385	1.84615384615385	-3	20.0124902982385	18	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+216420241.154642	195.101305796369	393.632255338758	"C11H14O3"	"O3"	"CHO"	11	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.094029344209	195.10157076566	-1.36515941219305	1.37	195	194.883453935363	0.116546064637333	5	0.272727272727273	1.27272727272727	2	14.9303303318077	14	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+188419268.263884	195.101306595016	470.057621588623	"C11H14O3"	"O3"	"CHO"	11	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.094030142856	195.10157076566	-1.36104466372816	1.36	195	194.883454733118	0.116545266882099	5	0.272727272727273	1.27272727272727	2	14.9303303318077	14	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+112490834.688921	195.101306955531	563.177702590349	"C11H14O3"	"O3"	"CHO"	11	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.094030503371	195.10157076566	-1.35918723687139	1.36	195	194.88345509323	0.116544906769661	5	0.272727272727273	1.27272727272727	2	14.9303303318077	14	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34956784.6603303	195.101673011887	590.726382842858	"C11H14O3"	"O3"	"CHO"	11	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.094396559727	195.10157076566	0.526786083470612	0.53	195	194.883820740845	0.116179259155473	5	0.272727272727273	1.27272727272727	2	14.9303303318077	14	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22444632.9752297	263.127158569519	524.091789663732	"C15H18O4"	"O4"	"CHO"	15	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.119882117359	263.12778551556	-2.39182940237487	2.39	263	262.833348433591	0.166651566408575	7	0.266666666666667	1.2	3	20.1631160818	19	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+160957215.059434	263.1271586	479.294330677274	"C15H18O4"	"O4"	"CHO"	15	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.11988214784	263.12778551556	-2.39171311570245	2.39	263	262.833348464038	0.166651535961648	7	0.266666666666667	1.2	3	20.1631160818	19	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+98687587.2649183	263.127731809573	541.748346	"C15H18O4"	"O4"	"CHO"	15	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.120455357413	263.12778551556	-0.20489048413486	0.2	263	262.83392103356	0.166078966439557	7	0.266666666666667	1.2	3	20.1631160818	19	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20318376.5842127	195.174098672467	478.723635492621	"C13H22O"	"O"	"CHO"	13	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.166822220307	195.17434177626	-1.25203569907944	1.25	195	194.956165530285	0.0438344697150796	3	0.0769230769230769	1.69230769230769	2	14.9359281018538	14	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46616216.9502507	195.174464925586	539.876853208591	"C13H22O"	"O"	"CHO"	13	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.167188473426	195.17434177626	0.63424375124747	0.63	195	194.956531374442	0.0434686255575798	3	0.0769230769230769	1.69230769230769	2	14.9359281018538	14	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+49255249.9217599	197.080339332179	199.575437176967	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073062880019	197.08083532416	-2.52962836264469	2.53	197	196.860277664647	0.13972233535327	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+116773273.210649	197.080710976176	266.714963737838	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073434524016	197.08083532416	-0.634190880139342	0.63	197	196.860648893663	0.139351106337301	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+163410080.852839	197.080711370722	336.756270753007	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073434918562	197.08083532416	-0.632178642881782	0.63	197	196.860649287768	0.139350712231817	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+113426326.141958	197.080711785411	397.104243105918	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073435333251	197.08083532416	-0.63006367376697	0.63	197	196.860649701994	0.139350298005866	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+70675416.8617558	197.080712592218	479.689570275307	"C10H12O4"	"O4"	"CHO"	10	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.073436140058	197.08083532416	-0.625948850746787	0.63	197	196.8606505079	0.139349492099768	5	0.4	1.2	1	15.0825814516923	14	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+82384172.3425496	263.200487843713	662.7254354	"C17H26O2"	"O2"	"CHO"	17	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.193211391553	263.20055652616	-0.261953566992898	0.26	263	262.906595827663	0.0934041723372161	5	0.117647058823529	1.52941176470588	3	20.1687138518462	19	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22935621.8636681	264.997950105301	301.123453	"C11H4O8"	"O8"	"CHO"	11	4	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	263.990673653141	264.99789355816	0.214201283066556	0.21	265	264.702051026832	0.297948973168275	10	0.727272727272727	0.363636363636364	2	20.3069705466154	19	0.9	24	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40588967.022738	265.048897201862	169.308515724861	"C16H8O4"	"O4"	"CHO"	16	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.041620749702	265.04953519656	-2.41626564840911	2.42	265	264.75294123541	0.247058764590406	13	0.25	0.5	9	20.3109429803385	20	1	34	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+68506575.6587014	197.153501295288	578.190073420853	"C12H20O2"	"O2"	"CHO"	12	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.146224843128	197.15360633476	-0.535516154276825	0.54	197	196.933357934454	0.0666420655458637	3	0.166666666666667	1.66666666666667	1	15.0881792217385	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59925115.377994	197.153501667965	645.51245937751	"C12H20O2"	"O2"	"CHO"	12	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.146225215805	197.15360633476	-0.533616157514563	0.53	197	196.933358306715	0.0666416932850211	3	0.166666666666667	1.66666666666667	1	15.0881792217385	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+130850312.847297	197.1535020573	697.028510939913	"C12H20O2"	"O2"	"CHO"	12	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.14622560514	197.15360633476	-0.531631234316889	0.53	197	196.933358695615	0.066641304384774	3	0.166666666666667	1.66666666666667	1	15.0881792217385	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38140943.4304998	197.189594388953	663.60434963523	"C13H24O"	"O"	"CHO"	13	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.182317936793	197.18999184006	-2.02592726595045	2.03	197	196.969410726248	0.0305892737517013	2	0.0769230769230769	1.84615384615385	1	15.0909781067615	14	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+64423692.5828482	199.059863859595	260.401109956204	"C9H10O5"	"O5"	"CHO"	9	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.052587407435	199.06009988266	-1.19171916951559	1.19	199	198.837591837291	0.162408162708829	5	0.555555555555556	1.11111111111111	0	15.2348325715769	14	0.9	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24753251.1066146	357.060732947838	300.535125332901	"C18H12O8"	"O8"	"CHO"	18	12	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.053456495678	357.06049381336	0.671625211494203	0.67	357	356.662035743596	0.33796425640395	13	0.444444444444444	0.666666666666667	5	27.3887090277846	26	0.9	38	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32959534.0523894	357.080583043352	391.523786855691	"C15H16O10"	"O10"	"CHO"	15	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.073306591192	357.08162318556	-2.92114626033883	2.92	357	356.681863674316	0.318136325683952	8	0.666666666666667	1.06666666666667	-2	27.3903343641077	25	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+41577484.59	357.117711213673	503.171117183942	"C16H20O9"	"O9"	"CHO"	16	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.110434761513	357.11800869086	-0.835350941675658	0.84	357	356.71895038699	0.281049613009657	7	0.5625	1.25	-2	27.3931332491308	25	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20373907.5938803	357.133108953088	702.760855442279	"C20H20O6"	"O6"	"CHO"	20	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.125832500928	357.13326482396	-0.437684823080732	0.44	357	356.734330933152	0.265669066847977	11	0.3	1	5	27.3943067978308	26	0.9	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+72037708.1539822	357.169338726745	756.996110826962	"C21H24O5"	"O5"	"CHO"	21	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.162062274585	357.16965032926	-0.874889686355702	0.87	357	356.77052025232	0.229479747679932	10	0.238095238095238	1.14285714285714	5	27.3971056828538	26	0.9	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+230359046.746932	265.215744023371	299.089839109936	"C17H28O2"	"O2"	"CHO"	17	28	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.208467571211	265.21620658996	-1.75076368018746	1.75	265	264.919601754267	0.0803982457329084	4	0.117647058823529	1.64705882352941	2	20.3237638567538	19	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46681761.2472686	265.252841444825	726.748450668868	"C18H32O"	"O"	"CHO"	18	32	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.245564992665	265.25259209526	0.943628193082921	0.94	265	264.956657752409	0.0433422475911129	3	0.0555555555555556	1.77777777777778	2	20.3265627417769	19	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+53026012.2938136	199.168827191644	691.0287488	"C12H22O2"	"O2"	"CHO"	12	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.161550739484	199.16925639856	-2.16594447514382	2.17	199	198.94643349991	0.0535665000898291	2	0.166666666666667	1.83333333333333	0	15.2432292266462	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+60073951.7495473	199.169204374221	661.200767398167	"C12H22O2"	"O2"	"CHO"	12	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.161927922061	199.16925639856	-0.262534481492313	0.26	199	198.946810261322	0.0531897386782703	2	0.166666666666667	1.83333333333333	0	15.2432292266462	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34707392.7894407	199.169205565725	855.6746479	"C12H22O2"	"O2"	"CHO"	12	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.161929113565	199.16925639856	-0.256521700349995	0.26	199	198.946811451495	0.0531885485047212	2	0.166666666666667	1.83333333333333	0	15.2432292266462	14	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58335579.0734427	201.054443621987	543.122009116493	"C12H8O3"	"O3"	"CHO"	12	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.047167169827	201.05462057426	-0.884552755863889	0.88	201	200.829944434102	0.170055565898281	9	0.25	0.666666666666667	6	15.3882572401615	15	1	26	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+104908534.957429	201.075265940876	201.50386279658	"C9H12O5"	"O5"	"CHO"	9	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.067989488716	201.07574994646	-2.4192055173359	2.42	201	200.850743502603	0.149256497396578	4	0.555555555555556	1.33333333333333	-1	15.3898825764846	14	0.9	20	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+146374914.521394	267.144043007651	143.606349019739	"C11H22O7"	"O7"	"CHO"	11	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.136766555491	267.14382951006	0.802210058266383	0.8	267	266.845747582675	0.154252417325324	1	0.636363636363636	2	-6	20.4720425429154	18	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+523083598.396514	267.158694267095	588.2485865	"C15H22O4"	"O4"	"CHO"	15	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.151417814935	267.15908564316	-1.47050152211797	1.47	267	266.860382482391	0.139617517608599	5	0.266666666666667	1.46666666666667	1	20.4732160916154	19	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+160360350.520291	267.195614523553	588.497625463138	"C16H26O3"	"O3"	"CHO"	16	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.188338071393	267.19547114846	0.538622743685577	0.54	267	266.897261513361	0.102738486638771	4	0.1875	1.625	1	20.4760149766385	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+299911872.477299	267.1962006	629.962539895542	"C16H26O3"	"O3"	"CHO"	16	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.18892414784	267.19547114846	2.7403527112613	2.74	267	266.89784693539	0.102153064609922	4	0.1875	1.625	1	20.4760149766385	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+68638204.4721134	201.127530486583	468.350589929416	"C14H16O"	"O"	"CHO"	14	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.120254034423	201.12739158486	0.69409127864416	0.69	201	200.902949689252	0.0970503107482159	7	0.0714285714285714	1.14285714285714	6	15.3938550102077	15	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161432247.744808	201.148202647562	484.865403804337	"C11H20O3"	"O3"	"CHO"	11	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.140926195402	201.14852095706	-1.59042682612788	1.59	201	200.923598767511	0.0764012324888483	2	0.272727272727273	1.81818181818182	-1	15.3954803465308	14	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+108919164.550995	203.070218744671	418.939038656056	"C12H10O3"	"O3"	"CHO"	12	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.062942292511	203.07027063806	-0.256817942096159	0.26	203	202.843468724276	0.156531275724376	8	0.25	0.833333333333333	5	15.5433072450692	15	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119142015.463902	203.091188340503	261.359766095941	"C9H14O5"	"O5"	"CHO"	9	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.083911888343	203.09140001026	-1.04743497385231	1.05	203	202.86441490527	0.135585094730402	3	0.555555555555556	1.55555555555556	-2	15.5449325813923	14	0.9	20	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+88142895.4151489	361.184761674803	587.358897391807	"C17H28O8"	"O8"	"CHO"	17	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.177485222643	361.18569432376	-2.58941492814851	2.59	361	360.781459543242	0.218540456757864	4	0.470588235294118	1.64705882352941	-4	27.7060321439692	25	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+638861629.351148	269.174623642775	659.407655877416	"C15H24O4"	"O4"	"CHO"	15	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.167347190615	269.17473570696	-0.417889001797121	0.42	269	268.874060853321	0.125939146678945	4	0.266666666666667	1.6	0	20.6282660965231	19	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38636418.9795312	269.189441153459	548.244455204438	"C19H24O"	"O"	"CHO"	19	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.182164701299	269.18999184006	-2.05340501153639	2.05	269	268.88886181864	0.111138181359763	8	0.0526315789473684	1.26315789473684	7	20.6294396452231	20	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34787813.5711095	269.189441662374	587.920377	"C19H24O"	"O"	"CHO"	19	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.182165210214	269.18999184006	-2.05150736080729	2.05	269	268.888862326987	0.111137673012934	8	0.0526315789473684	1.26315789473684	7	20.6294396452231	20	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25057828.0730095	205.049879260367	441.740553989843	"C11H8O4"	"O4"	"CHO"	11	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.042602808207	205.04953519656	1.68623514032023	1.69	205	204.820918733354	0.179081266645653	8	0.363636363636364	0.727272727272727	4	15.6955583649538	15	1	24	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+102562977.431735	205.085738556457	386.446023339119	"C12H12O3"	"O3"	"CHO"	12	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.078462104297	205.08592070186	-0.892526340792066	0.89	205	204.856737988634	0.143262011366033	7	0.25	1	4	15.6983572499769	15	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+43556549.4586266	205.085739395504	509.453986950212	"C12H12O3"	"O3"	"CHO"	12	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.078462943344	205.08592070186	-0.888414942944934	0.89	205	204.856738826744	0.143261173255922	7	0.25	1	4	15.6983572499769	15	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+92228815.2568331	205.085741375682	794.150402331336	"C12H12O3"	"O3"	"CHO"	12	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.078464923522	205.08592070186	-0.878711911453422	0.88	205	204.856740804711	0.143259195288977	7	0.25	1	4	15.6983572499769	15	1	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+402090523.272683	205.122003913835	467.921777438993	"C13H16O2"	"O2"	"CHO"	13	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.114727461675	205.12230620716	-1.48099712728122	1.48	205	204.89296285179	0.107037148210054	6	0.153846153846154	1.23076923076923	4	15.701156135	15	1	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+225794026.105789	205.143291812027	467.630911643978	"C10H20O4"	"O4"	"CHO"	10	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.136015359867	205.14343557936	-0.704272260634763	0.7	205	204.914226979725	0.0857730202753544	1	0.4	2	-3	15.7027814713231	14	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52116534.0735626	205.158277263762	724.601578726955	"C14H20O"	"O"	"CHO"	14	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.151000811602	205.15869171246	-2.03010857833722	2.03	205	204.92919569857	0.0708043014296322	5	0.0714285714285714	1.42857142857143	4	15.7039550200231	15	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+42345267.7779147	205.158670797058	615.6580458	"C14H20O"	"O"	"CHO"	14	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.151394344898	205.15869171246	-0.102450449018158	0.1	205	204.929588792444	0.0704112075564183	5	0.0714285714285714	1.42857142857143	4	15.7039550200231	15	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+77269012.9304935	205.15867079764	616.592161533885	"C14H20O"	"O"	"CHO"	14	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.15139434548	205.15869171246	-0.102447598095551	0.1	205	204.929588793025	0.0704112069750522	5	0.0714285714285714	1.42857142857143	4	15.7039550200231	15	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+131532423.08988	205.158671202293	678.739307433692	"C14H20O"	"O"	"CHO"	14	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	204.151394750133	205.15869171246	-0.100465475849853	0.1	205	204.929589197226	0.070410802773921	5	0.0714285714285714	1.42857142857143	4	15.7039550200231	15	1	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+107512109.898926	207.065405522783	391.903681031908	"C11H10O4"	"O4"	"CHO"	11	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.058129070623	207.06518526036	1.06893343151703	1.07	207	206.83419444114	0.165805558860143	7	0.363636363636364	0.909090909090909	3	15.8506083698615	15	0.9	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39821345.8007275	271.226049458266	810.6785914	"C16H30O3"	"O3"	"CHO"	16	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.218773006106	271.22677127606	-2.67123481450825	2.67	271	270.92319602842	0.076803971580091	2	0.1875	1.875	-1	20.7861149864538	19	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46673043.649049	273.096801618972	171.979658158088	"C12H16O7"	"O7"	"CHO"	12	16	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.089525166812	273.09687931866	-0.285566627229289	0.29	273	272.791859290551	0.208140709449253	5	0.583333333333333	1.33333333333333	-2	20.9299694512692	19	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+93127271.1876855	207.122593741018	370.939351640217	"C9H18O5"	"O5"	"CHO"	9	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.115317288858	207.12270013786	-0.516200558984943	0.52	207	206.891318802499	0.108681197500516	1	0.555555555555556	2	-4	15.8550325912077	14	0.9	20	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+181566239.443917	367.101864488525	304.193896980526	"C17H18O9"	"O9"	"CHO"	17	18	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.094588036365	367.10235862706	-1.34975645945954	1.35	367	366.691955267101	0.308044732898622	9	0.529411764705882	1.05882352941176	0	28.1611601673	26	0.9	36	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+146241796.68688	367.175497511433	481.609991711358	"C19H26O7"	"O7"	"CHO"	19	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.168221059273	367.17512963766	1.00465783706916	1	367	366.765506070718	0.234493929281825	7	0.368421052631579	1.36842105263158	0	28.1667579373462	26	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+99490821.68	273.205847617233	604.236941486458	"C15H28O4"	"O4"	"CHO"	15	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.198571165073	273.20603583456	-0.691470664866251	0.69	273	272.900783527076	0.0992164729240699	2	0.266666666666667	1.86666666666667	-2	20.9383661063385	19	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+76770052.1551255	273.22099917518	701.301977228423	"C19H28O"	"O"	"CHO"	19	28	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.21372272302	273.22129196766	-1.07559779514036	1.08	273	272.915918166658	0.0840818333420543	6	0.0526315789473684	1.47368421052632	5	20.9395396550385	20	1	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79823818.6958271	275.091037046468	455.888866454442	"C15H14O5"	"O5"	"CHO"	15	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.083760594308	275.09140001026	-1.32428054547529	1.32	275	274.783867936953	0.216132063047269	9	0.333333333333333	0.933333333333333	4	21.0833941198538	20	0.9	32	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+163569628.795318	207.173806140478	778.8869897	"C14H22O"	"O"	"CHO"	14	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.166529688318	207.17434177626	-2.59807342545042	2.6	207	206.942474017737	0.0575259822632574	4	0.0714285714285714	1.57142857142857	3	15.8590050249308	15	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56224339.934727	275.127165415726	527.1060224	"C16H18O4"	"O4"	"CHO"	16	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.119888963566	275.12778551556	-2.26214827517147	2.26	275	274.819955964951	0.18004403504915	8	0.25	1.125	4	21.0861930048769	20	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+68294477.6113937	209.044265184133	237.124249409052	"C10H8O5"	"O5"	"CHO"	10	8	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.036988731973	209.04444981886	-0.887509130686923	0.89	209	208.810844490114	0.189155509886319	7	0.5	0.8	2	16.0028594897462	15	0.9	22	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21435287.950198	275.164524267354	570.428371401183	"C17H22O3"	"O3"	"CHO"	17	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.157247815194	275.16417102086	1.28848132528283	1.29	275	274.857273101351	0.142726898648561	7	0.176470588235294	1.29411764705882	4	21.0889918899	20	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+68984374.3016104	209.066167372707	263.756142790031	"C7H12O7"	"O7"	"CHO"	7	12	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.058890920547	209.06557919106	2.82699597407883	2.83	209	208.832722222508	0.167277777491734	2	1	1.71428571428571	-5	16.0044848260692	14	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40978122.9694206	369.169078012127	670.857667536735	"C22H24O5"	"O5"	"CHO"	22	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.161801559967	369.16965032926	-1.5545261093543	1.55	369	368.756860521615	0.243139478384705	11	0.227272727272727	1.09090909090909	6	28.3201826059308	27	1	46	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25366956.4332936	369.174784632822	344.612280233247	"C15H28O10"	"O10"	"CHO"	15	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.167508180662	369.17552356836	-2.00706341951824	2.01	369	368.762560770247	0.237439229753306	2	0.666666666666667	1.86666666666667	-8	28.3206343935538	25	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25827799.8242038	227.199975310126	735.503853389718	"C14H26O2"	"O2"	"CHO"	14	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.192698857966	227.20055652616	-2.56956142672768	2.57	227	226.946281787984	0.0537182120155819	2	0.142857142857143	1.85714285714286	0	17.3994830826154	16	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+358016339.728053	369.2261934	649.150666453537	"C20H32O6"	"O6"	"CHO"	20	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.21891694784	369.22716520676	-2.63920921838364	2.64	369	368.813912133936	0.186087866064042	5	0.3	1.6	-1	28.3246068272769	26	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58551000.709083	371.169338777584	520.472425520938	"C18H26O8"	"O8"	"CHO"	18	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.162062325424	371.17004425996	-1.90587433928578	1.91	371	370.754887778032	0.245112221967872	6	0.444444444444444	1.44444444444444	-2	28.4740590621385	26	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79919824.7237241	371.169339464419	550.7375141	"C18H26O8"	"O8"	"CHO"	18	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.162063012259	371.17004425996	-1.90401883767753	1.9	371	370.7548884641	0.245111535899809	6	0.444444444444444	1.44444444444444	-2	28.4740590621385	26	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+146655425.446417	229.085694816875	527.82043073172	"C14H12O3"	"O3"	"CHO"	14	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.078418364715	229.08592070186	-0.990382985962434	0.99	229	228.829895683486	0.170104316514056	9	0.214285714285714	0.857142857142857	6	17.5445110961308	17	1	30	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+449357761.683002	371.242277677745	663.623620386627	"C20H34O6"	"O6"	"CHO"	20	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.235001225585	371.24281527056	-1.45203131319821	1.45	371	370.827745233966	0.172254766034428	4	0.3	1.7	-2	28.4796568321846	26	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23368995.118415	371.315242428928	961.680678309249	"C22H42O4"	"O4"	"CHO"	22	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	370.307965976768	371.31558628116	-0.92855748075937	0.93	371	370.900628512056	0.0993714879444383	2	0.181818181818182	1.90909090909091	-2	28.4852546022308	26	0.9	46	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+218451883.217759	373.1491438	345.041589856661	"C17H24O9"	"O9"	"CHO"	17	24	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.14186734784	373.14930881846	-0.443428902991553	0.44	373	372.732482132473	0.267517867526692	6	0.529411764705882	1.41176470588235	-3	28.6263101820231	26	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56888622.4572788	209.15340895383	363.246933271392	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.14613250167	209.15360633476	-0.948280554848237	0.95	209	208.919866388902	0.0801336110976081	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+64406547.3757116	209.153409809934	501.296668655706	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146133357774	209.15360633476	-0.944167555932363	0.94	209	208.91986724405	0.0801327559495348	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+75479094.8025652	209.153409810341	478.536377563921	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146133358181	209.15360633476	-0.944165600578897	0.94	209	208.919867244457	0.0801327555429907	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59697722.3276611	209.153410196832	538.893028706297	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146133744672	209.15360633476	-0.942308773581392	0.94	209	208.919867630516	0.0801323694835503	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+60692844.6513381	209.153410592301	588.487235180459	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146134140141	209.15360633476	-0.94040881343261	0.94	209	208.919868025544	0.0801319744561511	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+76287092.3270738	209.153411005601	646.563770812285	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146134553441	209.15360633476	-0.938423187372326	0.94	209	208.919868438382	0.0801315616176339	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39378925.315382	209.153411005834	685.223531326954	"C13H20O2"	"O2"	"CHO"	13	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.146134553674	209.15360633476	-0.938422067959789	0.94	209	208.919868438615	0.0801315613849169	4	0.153846153846154	1.53846153846154	2	16.0112561448154	15	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30959969.1419188	209.189946592555	743.383461332058	"C14H24O"	"O"	"CHO"	14	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.182670140395	209.18999184006	-0.21734520442631	0.22	209	208.956363229374	0.0436367706264207	3	0.0714285714285714	1.71428571428571	2	16.0140550298385	15	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+213713984.166629	211.059857416649	650.755189489761	"C10H10O5"	"O5"	"CHO"	10	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.052580964489	211.06009988266	-1.15431102946017	1.15	211	210.824186094336	0.175813905663603	6	0.5	1	1	16.1579094946538	15	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36884470.7095152	211.096069261236	265.9349812	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.088792809076	211.09648538796	-1.98071833545636	1.98	211	210.860357504454	0.139642495545758	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59620341.4082084	279.195041906561	615.748747438136	"C17H26O3"	"O3"	"CHO"	17	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.187765454401	279.19547114846	-1.54299344647209	1.54	279	278.883290228555	0.116709771444505	5	0.176470588235294	1.52941176470588	2	21.3990918997154	20	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36722352.26	431.316800515753	705.5575778	"C27H42O4"	"O4"	"CHO"	27	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.309524063593	431.31558628116	2.82177020288786	2.82	431	430.835188323092	0.164811676908187	7	0.148148148148148	1.55555555555556	3	33.1006392176154	31	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34227785.3104965	431.38893452368	898.82521835065	"C29H50O2"	"O2"	"CHO"	29	50	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.38165807152	431.38835729176	1.34120938754621	1.34	431	430.907241785541	0.0927582144588541	5	0.0689655172413793	1.72413793103448	3	33.1062369876615	31	0.9	60	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+33541105.6645623	281.101559708571	670.923534395635	"C14H16O6"	"O6"	"CHO"	14	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.094283256411	281.10196469636	-1.44589808919275	1.45	281	280.787679195756	0.212320804244257	7	0.428571428571429	1.14285714285714	1	21.5457452495538	20	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32800747.6875107	281.11673709507	466.545843538347	"C18H16O3"	"O3"	"CHO"	18	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.10946064291	281.11722082946	-1.72694770427205	1.73	281	280.802839635049	0.197160364950605	11	0.166666666666667	0.888888888888889	8	21.5469187982538	21	1	38	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+109328859.866797	281.13761021831	498.056645349472	"C15H20O5"	"O5"	"CHO"	15	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.13033376615	281.13835020166	-2.64156808744398	2.64	281	280.823689451173	0.176310548826507	6	0.333333333333333	1.33333333333333	1	21.5485441345769	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+31163477.4746447	281.137610738539	562.742918830601	"C15H20O5"	"O5"	"CHO"	15	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.130334286379	281.13835020166	-2.63971098613333	2.64	281	280.823689970822	0.176310029178353	6	0.333333333333333	1.33333333333333	1	21.5485441345769	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+164382441.487488	281.138243293062	553.410560697081	"C15H20O5"	"O5"	"CHO"	15	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.130966840902	281.13835020166	-0.381637914647798	0.38	281	280.824321819029	0.175678180971431	6	0.333333333333333	1.33333333333333	1	21.5485441345769	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+1021915151.32597	281.174303000536	570.721836362571	"C16H24O4"	"O4"	"CHO"	16	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.167026548376	281.17473570696	-1.54445878000841	1.54	281	280.860341261911	0.13965873808894	5	0.25	1.5	1	21.5513430196	20	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+48215104.0889034	211.16893742342	538.612081293879	"C13H22O2"	"O2"	"CHO"	13	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.16166097126	211.16925639856	-1.51776084434335	1.52	211	210.933144301397	0.0668556986026374	3	0.153846153846154	1.69230769230769	1	16.1663061497231	15	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+48142802.3928772	379.24796087979	498.800328480548	"C22H34O5"	"O5"	"CHO"	22	34	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	378.24068442763	379.24790064826	0.15924127812844	0.16	379	378.824489218628	0.175510781372282	6	0.227272727272727	1.54545454545455	1	29.0954326304692	27	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+142465462.631132	283.139515447227	164.083264601362	"C11H22O8"	"O8"	"CHO"	11	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.132238995067	283.13874413236	2.73387709870507	2.73	283	282.823359334828	0.176640665172329	1	0.727272727272727	2	-7	21.7024205907846	19	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45223769.1211995	213.061044351226	147.620537644167	"C6H12O8"	"O8"	"CHO"	6	12	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.053767899066	213.06049381336	2.59621826800518	2.6	213	212.823138485704	0.176861514295524	1	1.33333333333333	2	-7	16.3117859508615	14	0.9	14	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+84529873.3672694	213.075522909745	430.96783927501	"C10H12O5"	"O5"	"CHO"	10	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.068246457585	213.07574994646	-1.07058326180321	1.07	213	212.837600877336	0.16239912266434	5	0.5	1.2	0	16.3129594995615	15	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+47325184.2603555	213.075656020311	261.843191017496	"C10H12O5"	"O5"	"CHO"	10	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.068379568151	213.07574994646	-0.442905015879928	0.44	213	212.837733839269	0.16226616073078	5	0.5	1.2	0	16.3129594995615	15	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28190415.0368229	213.075938554017	199.878595060551	"C10H12O5"	"O5"	"CHO"	10	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.068662101857	213.07574994646	0.889370240390369	0.89	213	212.838016057496	0.161983942504435	5	0.5	1.2	0	16.3129594995615	15	0.9	22	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+147671899.849254	381.211926465294	334.341271018819	"C17H32O9"	"O9"	"CHO"	17	32	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.204650013134	381.21190907366	0.0457428231332879	0.05	381	380.786261822614	0.21373817738629	2	0.529411764705882	1.88235294117647	-7	29.2465102016538	26	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+54385115.0168731	381.226910847092	549.23542700163	"C21H32O6"	"O6"	"CHO"	21	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.219634394932	381.22716520676	-0.66898088633578	0.67	381	380.801229472717	0.198770527282932	6	0.285714285714286	1.52380952380952	0	29.2476837503538	27	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+74666461.98	235.097059185939	412.6987125	"C13H14O4"	"O4"	"CHO"	13	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.089782733779	235.09648538796	2.45118762681673	2.45	235	234.834547709392	0.16545229060759	7	0.307692307692308	1.07692307692308	3	18.0068622258308	17	0.9	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+277067004.611254	311.16936123622	577.018252345577	"C13H26O8"	"O8"	"CHO"	13	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.16208478406	311.17004425996	-2.20215098318091	2.2	311	310.821906747606	0.178093252394262	1	0.615384615384615	2	-7	23.8586744467538	21	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23191839.8649863	283.226488366256	694.314937771944	"C17H30O3"	"O3"	"CHO"	17	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.219211914096	283.22677127606	-1.00244700598169	1	283	282.910235139118	0.0897648608817008	3	0.176470588235294	1.76470588235294	0	21.7091919095308	20	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+64232974.0060399	283.262312527003	886.798229822944	"C18H34O2"	"O2"	"CHO"	18	34	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.255036074843	283.26315678136	-2.99110467161851	2.99	283	282.946019298287	0.0539807017125895	2	0.111111111111111	1.88888888888889	0	21.7119907945538	20	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+122098805.360303	311.220928810787	653.406173425793	"C18H30O4"	"O4"	"CHO"	18	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.213652358627	311.22168589836	-2.44053595719021	2.44	311	310.873416741358	0.126583258641801	4	0.222222222222222	1.66666666666667	0	23.8626468804769	22	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40871233.0557649	285.132519162283	641.424390364091	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125242710123	285.13326482396	-2.62441193147405	2.62	285	284.814137644131	0.185862355869176	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+61287668.3784668	213.184915977759	484.027891180788	"C13H24O2"	"O2"	"CHO"	13	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.177639525599	213.18490646236	0.0448463797672927	0.04	213	212.946871796073	0.0531282039273435	2	0.153846153846154	1.84615384615385	0	16.3213561546308	15	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+176597817.432248	215.091434679221	281.464388588087	"C10H14O5"	"O5"	"CHO"	10	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.084158227061	215.09140001026	0.161940805533831	0.16	215	214.851261661721	0.148738338279429	4	0.5	1.4	-1	16.4680095044692	15	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+120984570.329674	215.091435562605	399.568320184562	"C10H14O5"	"O5"	"CHO"	10	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.084159110445	215.09140001026	0.166067144682756	0.17	215	214.851262544118	0.148737455881815	4	0.5	1.4	-1	16.4680095044692	15	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22510415.3759985	215.091438076439	734.035731291729	"C10H14O5"	"O5"	"CHO"	10	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.084161624279	215.09140001026	0.17780941262271	0.18	215	214.851265055145	0.148734944854795	4	0.5	1.4	-1	16.4680095044692	15	0.9	22	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32389295.609082	215.106677055812	590.137797792121	"C14H14O2"	"O2"	"CHO"	14	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.099400603652	215.10665614336	0.097676368810219	0.1	215	214.866487018538	0.133512981462303	8	0.142857142857143	1	6	16.4691830531692	16	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+321385742.61937	285.169350115764	682.028753396412	"C15H24O5"	"O5"	"CHO"	15	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.162073663604	285.16965032926	-1.05648685657095	1.06	285	284.85092747184	0.149072528159877	4	0.333333333333333	1.6	-1	21.8586441443923	20	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+305671276.771356	285.205541309425	675.442303191509	"C16H28O4"	"O4"	"CHO"	16	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.198264857265	285.20603583456	-1.74007091589171	1.74	285	284.887078254091	0.112921745909091	3	0.25	1.75	-1	21.8614430294154	20	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+66621459.6006538	215.163840765323	640.035691588118	"C12H22O3"	"O3"	"CHO"	12	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.156564313163	215.16417102086	-1.54212194280283	1.54	215	214.92358689854	0.0764131014600196	2	0.25	1.83333333333333	-1	16.4736072745154	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36571150.6044829	215.163841189884	676.459016365203	"C12H22O3"	"O3"	"CHO"	12	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.156564737724	215.16417102086	-1.54013946013634	1.54	215	214.923587322627	0.0764126773730709	2	0.25	1.83333333333333	-1	16.4736072745154	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35509323.0879319	215.163841594246	753.596965413835	"C12H22O3"	"O3"	"CHO"	12	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.156565142086	215.16417102086	-1.5382512965836	1.54	215	214.923587726537	0.0764122734626085	2	0.25	1.83333333333333	-1	16.4736072745154	15	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52073438.6399118	217.0858459	448.1704415	"C13H12O3"	"O3"	"CHO"	13	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.07856944784	217.08592070186	-0.346178985663055	0.35	217	216.843445905113	0.156554094886786	8	0.230769230769231	0.923076923076923	5	16.6214341730538	16	1	28	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+87444033.9537855	217.106448388644	292.916984472326	"C10H16O5"	"O5"	"CHO"	10	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.099171936484	217.10705007406	-2.78430227478043	2.78	217	216.864025388834	0.135974611165665	3	0.5	1.6	-2	16.6230595093769	15	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24504500.2285019	217.1064493	427.701118857417	"C10H16O5"	"O5"	"CHO"	10	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.09917284784	217.10705007406	-2.78008495855204	2.78	217	216.864026299173	0.135973700827293	3	0.5	1.6	-2	16.6230595093769	15	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+142391097.311808	217.106877656987	327.759892835432	"C10H16O5"	"O5"	"CHO"	10	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.099601204827	217.10705007406	-0.797859283596913	0.8	217	216.864454177852	0.135545822147549	3	0.5	1.6	-2	16.6230595093769	15	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+96307109.874889	217.106878113419	382.557576263478	"C10H16O5"	"O5"	"CHO"	10	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.099601661259	217.10705007406	-0.795747144789024	0.8	217	216.864454633775	0.135545366225216	3	0.5	1.6	-2	16.6230595093769	15	0.9	22	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52974993.3508724	391.122395343951	212.123790919085	"C16H22O11"	"O11"	"CHO"	16	22	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.115118891791	391.12348799926	-2.80085353288592	2.8	391	390.685664583185	0.314335416815254	6	0.6875	1.375	-5	30.0089393497769	27	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+205214747.832142	217.122333915963	548.136571790681	"C14H16O2"	"O2"	"CHO"	14	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.115057463803	217.12230620716	0.128213199618541	0.13	217	216.879893178232	0.120106821768388	7	0.142857142857143	1.14285714285714	5	16.6242330580769	16	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+158982764.137869	217.1223343268	588.099590807542	"C14H16O2"	"O2"	"CHO"	14	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.11505787464	217.12230620716	0.130114209917842	0.13	217	216.87989358861	0.12010641139014	7	0.142857142857143	1.14285714285714	5	16.6242330580769	16	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+65821191.7988941	289.179529598855	656.229895528889	"C18H24O3"	"O3"	"CHO"	18	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.172253146695	289.17982108466	-1.0114985109353	1.01	289	288.856629152695	0.143370847304936	7	0.166666666666667	1.33333333333333	4	22.1671188178846	21	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23185855.4085612	289.200647189796	656.800861814502	"C15H28O5"	"O5"	"CHO"	15	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.193370737636	289.20095045686	-1.05230409437238	1.05	289	288.877723163545	0.122276836454716	2	0.333333333333333	1.86666666666667	-3	22.1687441542077	20	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+87696660.7467185	291.070753885535	257.905754605491	"C11H14O9"	"O9"	"CHO"	11	14	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.063477433375	291.07105849946	-1.05016297700489	1.05	291	290.745741681441	0.254258318558925	5	0.818181818181818	1.27272727272727	-4	22.3125986190231	20	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40118385.6532521	291.143402095723	275.53994920822	"C13H22O7"	"O7"	"CHO"	13	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.136125643563	291.14382951006	-1.47315104617616	1.47	291	290.818308771989	0.181691228011402	3	0.538461538461538	1.69230769230769	-4	22.3181963890692	20	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+82857738.3170458	217.158400021856	453.11082261837	"C15H20O"	"O"	"CHO"	15	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.151123569696	217.15869171246	-1.34947530775757	1.35	217	216.915919012389	0.0840809876114292	6	0.0666666666666667	1.33333333333333	5	16.6270319431	16	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+42577513.38	217.158830285904	550.3790901	"C15H20O"	"O"	"CHO"	15	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.151553833744	217.15869171246	0.641093906256598	0.64	217	216.916348796	0.0836512040001196	6	0.0666666666666667	1.33333333333333	5	16.6270319431	16	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+118047604.89118	217.158830696782	613.265140947554	"C15H20O"	"O"	"CHO"	15	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.151554244622	217.15869171246	0.642994784210762	0.64	217	216.916349206419	0.0836507935809152	6	0.0666666666666667	1.33333333333333	5	16.6270319431	16	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30164608.3873574	217.15883112572	684.50176552318	"C15H20O"	"O"	"CHO"	15	20	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.15155467356	217.15869171246	0.64497921475405	0.64	217	216.916349634878	0.083650365121855	6	0.0666666666666667	1.33333333333333	5	16.6270319431	16	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+75234599.475688	219.065043895505	474.6673714	"C12H10O4"	"O4"	"CHO"	12	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.057767443345	219.06518526036	-0.648290848194573	0.65	219	218.820433910455	0.17956608954492	8	0.333333333333333	0.833333333333333	4	16.7736852929385	16	1	26	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+180869951.168303	219.101161038611	459.759590976443	"C13H14O3"	"O3"	"CHO"	13	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.093884586451	219.10157076566	-1.87867280084663	1.88	219	218.856510724836	0.143489275163574	7	0.230769230769231	1.07692307692308	4	16.7764841779615	16	1	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125448803.785966	219.122486353046	295.110526218009	"C10H18O5"	"O5"	"CHO"	10	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.115209900886	219.12270013786	-0.980146290798909	0.98	219	218.877812227235	0.122187772765159	2	0.5	1.8	-3	16.7781095142846	15	0.9	22	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79725228.4832404	293.174502356609	564.789563194678	"C17H24O4"	"O4"	"CHO"	17	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.167225904449	293.17473570696	-0.798687636025351	0.8	293	292.847141088178	0.152858911821681	6	0.235294117647059	1.41176470588235	2	22.4744199426769	21	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23204817.6818334	399.050376036368	710.334619753966	"C23H10O7"	"O7"	"CHO"	23	10	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.043099584208	399.04992912726	1.12276562129493	1.12	399	398.604792821535	0.395207178464659	19	0.304347826086957	0.434782608695652	12	30.6186655903923	30	1	48	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+135775690.484821	293.196731617147	535.024195969788	"C14H28O6"	"O6"	"CHO"	14	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.189455164987	293.19586507916	2.96567166162376	2.97	293	292.869345527325	0.130654472674621	1	0.428571428571429	2	-5	22.476045279	20	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+71907333.5495405	219.159053759892	504.567544473101	"C11H22O4"	"O4"	"CHO"	11	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.151777307732	219.15908564316	-0.146151768284628	0.15	219	218.914338802588	0.0856611974123211	1	0.363636363636364	2	-3	16.7809083993077	15	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+265381171.210717	219.174292944745	573.857224658959	"C15H22O"	"O"	"CHO"	15	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.167016492585	219.17434177626	-0.223826295108661	0.22	219	218.929560971231	0.0704390287693002	5	0.0666666666666667	1.46666666666667	4	16.7820819480077	16	1	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+61096287.8099862	399.201241511771	390.0442231	"C20H30O8"	"O8"	"CHO"	20	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.193965059611	399.20134438756	-0.258355972346157	0.26	399	398.755489839201	0.24451016079928	6	0.4	1.5	-2	30.6303129181077	28	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+68880009.41	399.23870792897	602.320624961962	"C21H34O7"	"O7"	"CHO"	21	34	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.23143147681	399.23772989286	2.4559490604679	2.46	399	398.792914421064	0.207085578936471	5	0.333333333333333	1.61904761904762	-2	30.6331118031308	28	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+69415764.5874256	295.17519379109	458.328139576218	"C13H26O7"	"O7"	"CHO"	13	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.16791733893	295.17512963766	0.218084387255166	0.22	295	294.84559853273	0.154401467269793	1	0.538461538461538	2	-6	22.6282963988846	20	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32281531.2012814	401.091663257922	267.48553541679	"C13H20O14"	"O14"	"CHO"	13	20	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.084386805762	401.09258180236	-2.29587674068748	2.3	401	400.643800723542	0.356199276458256	4	1.07692307692308	1.53846153846154	-10	30.7757927192462	27	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+33025186.7375131	401.106755309701	247.9627296	"C17H20O11"	"O11"	"CHO"	17	20	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.099478857541	401.10783793546	-2.7058914500525	2.71	401	400.658875923401	0.341124076599101	8	0.647058823529412	1.17647058823529	-3	30.7769662679462	28	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+599974264.001122	221.116873599366	126.124646415335	"C13H16O3"	"O3"	"CHO"	13	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.109597147206	221.11722082946	-1.57753273145686	1.58	221	220.869972522939	0.130027477061446	6	0.230769230769231	1.23076923076923	3	16.9315341828692	16	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+104306280.425858	297.132515867684	537.373103129197	"C15H20O6"	"O6"	"CHO"	15	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.125239415524	297.13326482396	-2.5291875745048	2.53	297	296.800735046008	0.19926495399244	6	0.4	1.33333333333333	0	22.7789221824462	21	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+109545530.799075	297.133889917009	524.623069182119	"C15H20O6"	"O6"	"CHO"	15	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.126613464849	297.13326482396	2.11089790843705	2.11	297	296.802107561057	0.1978924389432	6	0.4	1.33333333333333	0	22.7789221824462	21	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175565537.606648	297.1538196691	231.331950200993	"C12H24O8"	"O8"	"CHO"	12	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.14654321694	297.15439419616	-1.94000934049424	1.94	297	296.822015059409	0.177984940591386	1	0.666666666666667	2	-7	22.7805475187692	20	0.9	26	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+42756655.5368534	405.117552796063	214.618412354007	"C20H20O9"	"O9"	"CHO"	20	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.110276343903	405.11800869086	-1.12814452801321	1.13	405	404.665194917459	0.334805082541152	11	0.45	1	2	31.0854409414385	29	0.9	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59458063.0560399	221.190133378424	655.832302400226	"C15H24O"	"O"	"CHO"	15	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	220.182856926264	221.18999184006	0.642821907122858	0.64	221	220.943150499473	0.0568495005271927	4	0.0666666666666667	1.6	3	16.9371319529154	16	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28192061.3354649	223.045154148698	216.842556782121	"C7H10O8"	"O8"	"CHO"	7	10	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.037877696538	223.04484374956	1.3979557956845	1.4	223	222.796099936983	0.203900063017272	3	1.14285714285714	1.42857142857143	-5	17.0798128690308	15	0.9	16	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36637715.1847931	297.2053828	572.885987090564	"C17H28O4"	"O4"	"CHO"	17	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.19810634784	297.20603583456	-2.20472226529282	2.2	297	296.873520614456	0.12647938554403	4	0.235294117647059	1.64705882352941	0	22.7845199524923	21	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35254874.83	223.059460672288	410.51119880409	"C11H10O5"	"O5"	"CHO"	11	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.052184220128	223.06009988266	-2.87864933295337	2.88	223	222.810390485781	0.189609514219342	7	0.454545454545455	0.909090909090909	2	17.0809864177308	16	0.9	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25868613.9464507	223.059466635477	1259.57865638608	"C11H10O5"	"O5"	"CHO"	11	10	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.052190183317	223.06009988266	-2.85179435722881	2.85	223	222.810396442311	0.189603557688883	7	0.454545454545455	0.909090909090909	2	17.0809864177308	16	0.9	24	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34860468.0935844	297.241828590001	772.828048667988	"C18H32O3"	"O3"	"CHO"	18	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.234552137841	297.24242133986	-2.00094774462861	2	297	296.909925708762	0.0900742912377837	3	0.166666666666667	1.77777777777778	0	22.7873188375154	21	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159114839.309513	407.242033123565	597.8274613	"C23H34O6"	"O6"	"CHO"	23	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	406.234756671405	407.24281527056	-1.92535715407973	1.93	407	406.787303031248	0.212696968752084	7	0.260869565217391	1.47826086956522	1	31.2488876014154	29	0.9	48	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+87722805.3509705	407.278428098675	717.61612	"C24H38O5"	"O5"	"CHO"	24	38	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	406.271151646515	407.27920077586	-1.9018755868422	1.9	407	406.823657367404	0.176342632596402	6	0.208333333333333	1.58333333333333	1	31.2516864864385	29	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+73502423.5829436	409.134396236921	484.73379299279	"C16H24O12"	"O12"	"CHO"	16	24	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	408.127119784761	409.13405268536	0.841775869342407	0.84	409	408.677553115046	0.322446884954047	5	0.75	1.5	-7	31.3943674025538	28	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+402082496.7	409.186591363892	248.928266399431	"C21H28O8"	"O8"	"CHO"	21	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	408.179314911732	409.18569432376	2.19766190790026	2.2	409	408.729689960472	0.270310039528169	8	0.380952380952381	1.33333333333333	0	31.3983398362769	29	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+282085286.177095	409.206584131861	265.155366805492	"C18H32O10"	"O10"	"CHO"	18	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	408.199307679701	409.20682369596	-0.586880218763778	0.59	409	408.749660404338	0.25033959566241	3	0.555555555555556	1.77777777777778	-7	31.3999651726	28	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+138301166.227883	411.107081787681	219.444425639606	"C22H18O8"	"O8"	"CHO"	22	18	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	410.099805335521	411.10744400476	-0.883241284863361	0.88	411	410.648035947497	0.351964052503149	14	0.363636363636364	0.818181818181818	6	31.5461667348154	30	1	46	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+111803313.996823	299.148941666891	547.151204092306	"C15H22O6"	"O6"	"CHO"	15	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.141665214731	299.14891488776	0.0898201564684079	0.09	299	298.814909286153	0.185090713846762	5	0.4	1.46666666666667	-1	22.9339721873538	21	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161892334.207188	411.16413823938	438.659959645224	"C20H26O9"	"O9"	"CHO"	20	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	410.15686178722	411.16495888226	-2.00080251351875	2	411	410.705028689452	0.294971310547851	8	0.45	1.3	-1	31.5505909561615	29	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+295430180.706734	413.122241240834	205.919888217854	"C22H20O8"	"O8"	"CHO"	22	20	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.114964788674	413.12309406856	-2.06939276388192	2.07	413	412.660945255602	0.339054744398197	13	0.363636363636364	0.909090909090909	5	31.7012167397231	30	0.9	46	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23128292.5564576	499.288822984076	696.070263572641	"C26H42O9"	"O9"	"CHO"	26	42	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	498.281546531916	499.29015939266	-2.68203507293583	2.68	499	498.731312623893	0.268687376107209	6	0.346153846153846	1.61538461538462	-3	38.3294525338846	35	0.9	54	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185509431.051892	413.179716124696	586.646539606671	"C20H28O9"	"O9"	"CHO"	20	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.172439672536	413.18060894606	-2.16613552500996	2.17	413	412.718355962495	0.281644037504975	7	0.45	1.4	-2	31.7056409610692	29	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329551715.641174	413.215785206654	637.947672232366	"C21H32O8"	"O8"	"CHO"	21	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.208508754494	413.21699445136	-2.93357531518143	2.93	413	412.754384769394	0.245615230606063	6	0.380952380952381	1.52380952380952	-2	31.7084398460923	29	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35377727.49	299.257285665211	864.68102850263	"C18H34O3"	"O3"	"CHO"	18	34	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.250009213051	299.25807140366	-2.6344959756074	2.63	299	298.923132306597	0.0768676934031873	2	0.166666666666667	1.88888888888889	-1	22.9423688424231	21	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+102945735.492776	415.122743935729	205.219813939087	"C18H22O11"	"O11"	"CHO"	18	22	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.115467483569	415.12348799926	-1.79675377862379	1.8	415	414.659214171316	0.340785828683977	8	0.611111111111111	1.22222222222222	-3	31.8550931959308	29	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+320610569.462902	415.195395703443	593.835034944563	"C20H30O9"	"O9"	"CHO"	20	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.188119251283	415.19625900986	-2.08433409086935	2.08	415	414.731784815417	0.2682151845828	6	0.45	1.5	-3	31.8606909659769	29	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+49704448.0813075	415.21129229281	731.609559529676	"C24H30O6"	"O6"	"CHO"	24	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.20401584065	415.21151514296	-0.538020254481607	0.54	415	414.74766365451	0.252336345489539	10	0.25	1.25	4	31.8618645146769	30	0.9	50	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+71362756.6627083	301.164221468328	599.082908074165	"C15H24O6"	"O6"	"CHO"	15	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.156945016168	301.16456495156	-1.14434544238509	1.14	301	300.82793880816	0.172061191839703	4	0.4	1.6	-2	23.0890221922615	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28328169.6436897	301.164222063021	662.732111869613	"C15H24O6"	"O6"	"CHO"	15	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.156945610861	301.16456495156	-1.14236416660527	1.14	301	300.827939402189	0.172060597810741	4	0.4	1.6	-2	23.0890221922615	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24591117.1472198	301.179652550134	710.605843498068	"C19H24O3"	"O3"	"CHO"	19	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	300.172376097974	301.17982108466	-0.561459146153972	0.56	301	300.843352659482	0.156647340517509	8	0.157894736842105	1.26315789473684	5	23.0901957409615	22	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+75174425.0057615	303.07032394161	199.366804231696	"C12H14O9"	"O9"	"CHO"	12	14	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.06304748945	303.07105849946	-2.43180308240892	2.43	303	302.731912910392	0.268087089607718	6	0.75	1.16666666666667	-3	23.2356755421	21	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+147118836.313885	303.071031944005	185.760328478916	"C12H14O9"	"O9"	"CHO"	12	14	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.063755491845	303.07105849946	-0.0879134107468561	0.09	303	302.732620122225	0.267379877774545	6	0.75	1.16666666666667	-3	23.2356755421	21	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+207014166.312957	225.184575869872	789.025848034018	"C14H24O2"	"O2"	"CHO"	14	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.177299417712	225.18490646236	-1.47469208020199	1.47	225	224.93313276075	0.0668672392498593	3	0.142857142857143	1.71428571428571	1	17.2444330777077	16	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+341265557.988275	227.091098725041	398.599979945505	"C11H14O5"	"O5"	"CHO"	11	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.083822272881	227.09140001026	-1.33262617350545	1.33	227	226.837526775467	0.162473224533016	5	0.454545454545455	1.27272727272727	0	17.3910864275462	16	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+237794143.111135	227.0910997	502.751647219184	"C11H14O5"	"O5"	"CHO"	11	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.08382324784	227.09140001026	-1.32831378936939	1.33	227	226.837527749337	0.16247225066266	5	0.454545454545455	1.27272727272727	0	17.3910864275462	16	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+1771354968.59584	227.091557943633	390.8966209	"C11H14O5"	"O5"	"CHO"	11	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.084281491473	227.09140001026	0.698559722905346	0.7	227	226.837985481291	0.162014518708588	5	0.454545454545455	1.27272727272727	0	17.3910864275462	16	0.9	24	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+78018126.82	303.179389862018	613.048463560259	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172113409858	303.18021501536	-2.73073955320508	2.73	303	302.840857046819	0.159142953180776	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+49222753.8908378	303.180097112132	484.099142999156	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172820659972	303.18021501536	-0.390184754970252	0.39	303	302.841563507211	0.15843649278861	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36986486.6809481	303.180098845011	676.409492826024	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172822392851	303.18021501536	-0.384450024506947	0.38	303	302.841565238155	0.158434761844546	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+230523241.505007	227.163675302016	682.038354919865	"C13H22O3"	"O3"	"CHO"	13	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.156398849856	227.16417102086	-2.19192933088949	2.19	227	226.910022312788	0.0899776872122402	3	0.230769230769231	1.69230769230769	0	17.3966841975923	16	0.9	28	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25003955.5873634	331.190930959112	640.480313755847	"C20H26O4"	"O4"	"CHO"	20	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.183654506952	331.19038577076	1.65116699304255	1.65	331	330.821120206881	0.178879793119279	8	0.2	1.3	4	25.3987007168154	24	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+72806572.804755	229.04940577565	359.641299917526	"C13H8O4"	"O4"	"CHO"	13	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.04212932349	229.04953519656	-0.567530703198212	0.57	229	228.793647162929	0.206352837071421	10	0.307692307692308	0.615384615384615	6	17.5417122111077	17	1	28	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+29654711.3793008	229.049871885151	503.305215695807	"C13H8O4"	"O4"	"CHO"	13	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.042595432991	229.04953519656	1.47642851695201	1.48	229	228.794112751968	0.205887248032468	10	0.307692307692308	0.615384615384615	6	17.5417122111077	17	1	28	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+37289210.5246115	229.055916934092	185.05415311905	"C6H12O9"	"O9"	"CHO"	6	12	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.048640481932	229.05540843566	2.22978058957804	2.23	229	228.800151050953	0.199848949047094	1	1.5	2	-8	17.5421639987308	15	0.9	14	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+97208043.940461	333.154467306813	388.869067138334	"C15H24O8"	"O8"	"CHO"	15	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.147190854653	333.15439419616	0.22011522297952	0.22	333	332.782464052354	0.217535947645558	4	0.533333333333333	1.6	-4	25.549778288	23	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143171426.388499	229.085694816962	529.977658501523	"C14H12O3"	"O3"	"CHO"	14	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.078418364802	229.08592070186	-0.990382604519335	0.99	229	228.829895683573	0.170104316427171	9	0.214285714285714	0.857142857142857	6	17.5445110961308	17	1	30	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+78759415.92628	229.106631637531	282.165028456646	"C11H16O5"	"O5"	"CHO"	11	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.099355185371	229.10705007406	-1.83444853959767	1.83	229	228.850809125901	0.149190874099048	4	0.454545454545455	1.45454545454545	-1	17.5461364324538	16	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+94104917.130853	229.106632096122	329.342286253852	"C11H16O5"	"O5"	"CHO"	11	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.099355643962	229.10705007406	-1.83243804790833	1.83	229	228.85080958398	0.149190416020076	4	0.454545454545455	1.45454545454545	-1	17.5461364324538	16	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+244535643.294648	229.122456513599	562.949184981486	"C15H16O2"	"O2"	"CHO"	15	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.115180061439	229.12230620716	0.658905904271747	0.66	229	228.866616331771	0.133383668229044	8	0.133333333333333	1.06666666666667	6	17.5473099811538	17	1	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+170587929.528847	305.137589033059	315.423591086895	"C17H20O5"	"O5"	"CHO"	17	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.130312580899	305.13835020166	-2.50277124480912	2.5	305	304.796869675172	0.203130324827896	8	0.294117647058824	1.17647058823529	3	23.3946979807308	22	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51888815.572232	305.159049092748	673.945328737752	"C14H24O7"	"O7"	"CHO"	14	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.151772640588	305.15947957386	-1.41534967318355	1.42	305	304.818305772367	0.181694227633272	3	0.5	1.71428571428571	-4	23.3963233170538	21	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+70158288.2695941	305.159762683678	481.562211027496	"C14H24O7"	"O7"	"CHO"	14	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.152486231518	305.15947957386	0.93081539970299	0.93	305	304.819018566495	0.180981433505224	3	0.5	1.71428571428571	-4	23.3963233170538	21	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36571410.8450974	305.174787042093	646.174391685047	"C18H24O4"	"O4"	"CHO"	18	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.167510589933	305.17473570696	0.168772571667804	0.17	305	304.834026148577	0.165973851423132	7	0.222222222222222	1.33333333333333	3	23.3974968657538	22	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+130937345.056988	229.179711583264	691.201713685909	"C13H24O3"	"O3"	"CHO"	13	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.172435131104	229.17982108466	-0.479906330201282	0.48	229	228.923807469914	0.0761925300863027	2	0.230769230769231	1.84615384615385	-1	17.5517342025	16	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+215223117.057696	231.043967195434	221.414910136524	"C16H6O2"	"O2"	"CHO"	16	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.036690743274	231.04405588816	-0.385559041511886	0.39	231	230.785981437613	0.214018562387338	14	0.125	0.375	12	17.6951368796923	18	1	34	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+102314003.180283	307.116988586635	567.094585607783	"C16H18O6"	"O6"	"CHO"	16	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.109712134475	307.11761476016	-2.04558529241078	2.05	307	306.774059013523	0.225940986476587	8	0.375	1.125	2	23.5469491006154	22	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+85384653.3721039	307.153103814296	483.872075127414	"C17H22O5"	"O5"	"CHO"	17	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.145827362136	307.15400026546	-2.92818351219845	2.93	307	306.810133914599	0.189866085401377	7	0.294117647058824	1.29411764705882	2	23.5497479856385	22	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+92134647.5002411	431.242285326547	707.153027088538	"C25H34O6"	"O6"	"CHO"	25	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.235008874387	431.24281527056	-1.23175474352189	1.23	431	430.760756338212	0.239243661788237	9	0.24	1.36	3	33.0950414475692	31	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40559344.4441578	431.262714401595	656.357000952077	"C22H38O8"	"O8"	"CHO"	22	38	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.255437949435	431.26394464276	-2.85932740525734	2.86	431	430.781162601972	0.218837398027915	4	0.363636363636364	1.72727272727273	-4	33.0966667838923	30	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119691191.613593	255.122433010351	602.622895615051	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.115156558191	255.12270013786	-1.05120651831547	1.05	255	254.837561022494	0.162438977506298	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+297776712.317973	339.179496236797	618.00356169278	"C18H26O6"	"O6"	"CHO"	18	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.172219784637	339.18021501536	-2.12548080813917	2.13	339	338.80076538121	0.199234618789887	6	0.333333333333333	1.44444444444444	0	26.0133029664	24	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+86220411.7699231	433.242862242283	576.131611993649	"C21H36O9"	"O9"	"CHO"	21	36	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	432.235585790123	433.24320920126	-0.802708033165714	0.8	433	432.759099391891	0.240900608108632	4	0.428571428571429	1.71428571428571	-5	33.2489179037769	30	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23883309.148996	377.180165241516	611.04110847789	"C17H28O9"	"O9"	"CHO"	17	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.172888789356	377.18060894606	-1.17952291932166	1.18	377	376.759002499436	0.240997500563708	4	0.529411764705882	1.64705882352941	-5	28.9364101918385	26	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+744697179.735862	435.222060757962	594.468421125816	"C20H34O10"	"O10"	"CHO"	20	34	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	434.214784305802	435.22247375976	-0.951146328649494	0.95	435	434.736087916826	0.26391208317358	4	0.5	1.7	-6	33.4011690236615	30	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26318845.3572657	437.233250614963	384.650069907939	"C27H32O5"	"O5"	"CHO"	27	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	436.225974162803	437.23225058446	2.29245978528365	2.29	437	436.745032061266	0.254967938734069	12	0.185185185185185	1.18518518518519	7	33.5557672409462	32	1	56	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51255377.5189322	309.15509472766	392.632266533596	"C13H24O8"	"O8"	"CHO"	13	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.1478182755	309.15439419616	2.27336186873528	2.27	309	308.809889387024	0.190110612976184	2	0.615384615384615	1.84615384615385	-6	23.7036244418462	21	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+105120643.618852	309.16895621051	560.546352510485	"C17H24O5"	"O5"	"CHO"	17	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.16167975835	309.16965032926	-2.2524499170338	2.25	309	308.823735392018	0.176264607981807	6	0.294117647058824	1.41176470588235	1	23.7047979905462	22	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+99203324.9754369	309.1689568	633.480345511802	"C17H24O5"	"O5"	"CHO"	17	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.16168034784	309.16965032926	-2.25053698827099	2.25	309	308.82373598085	0.17626401915004	6	0.294117647058824	1.41176470588235	1	23.7047979905462	22	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30508586.7298682	441.21062319516	617.724348045431	"C22H32O9"	"O9"	"CHO"	22	32	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	440.203346743	441.21190907366	-2.92110114447056	2.92	441	440.717963471708	0.282036528292338	7	0.409090909090909	1.45454545454545	-2	33.8618948170385	31	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+341731766.305689	309.205434611529	662.157555340223	"C18H28O4"	"O4"	"CHO"	18	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	308.198158159369	309.20603583456	-1.95076776128971	1.95	309	308.860173060929	0.13982693907127	5	0.222222222222222	1.55555555555556	1	23.7075968755692	22	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+150323967.370676	381.117060230323	377.447118882946	"C18H20O9"	"O9"	"CHO"	18	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.109783778163	381.11800869086	-2.4952278986092	2.5	381	380.691501516128	0.308498483871858	9	0.5	1.11111111111111	0	29.2392870952846	27	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51502925.6000359	311.055222951434	467.286669	"C17H10O6"	"O6"	"CHO"	17	10	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.047946499274	311.05501450496	0.672303998006238	0.67	311	310.707895910648	0.292104089351824	13	0.352941176470588	0.588235294117647	7	23.8498260040615	23	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20427481.78	311.127382731777	715.1092012	"C19H18O4"	"O4"	"CHO"	19	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.120106279617	311.12778551556	-1.29879931946404	1.3	311	310.779975116736	0.220024883264216	11	0.210526315789474	0.947368421052632	7	23.8554237741077	23	1	40	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125198353.370878	311.148000574714	441.782774781912	"C16H22O6"	"O6"	"CHO"	16	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.140724122554	311.14891488776	-2.94805865493111	2.95	311	310.800569937605	0.199430062394867	6	0.375	1.375	0	23.8570491104308	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+70256515.5	311.14873770113	483.703325837983	"C16H22O6"	"O6"	"CHO"	16	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.14146124897	311.14891488776	-0.57130907056277	0.57	311	310.801306240939	0.198693759060745	6	0.375	1.375	0	23.8570491104308	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+793857986.528285	311.148738276314	526.833703779982	"C16H22O6"	"O6"	"CHO"	16	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.141461824154	311.14891488776	-0.569454483534121	0.57	311	310.801306815481	0.198693184519016	6	0.375	1.375	0	23.8570491104308	22	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35849613.7681997	445.345912784202	976.942432225348	"C32H44O"	"O"	"CHO"	32	44	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.338636332042	445.34649247806	-1.30462176943054	1.3	445	444.848635559452	0.151364440548377	11	0.03125	1.375	10	34.1799396943	33	1	66	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+74142522.01	345.08085815087	223.489474993538	"C14H16O10"	"O10"	"CHO"	14	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.07358169871	345.08162318556	-2.22346245308337	2.22	345	344.69553778185	0.304462218150491	7	0.714285714285714	1.14285714285714	-3	26.4672574410308	24	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23641608.0050208	447.257633825755	624.713760102021	"C22H38O9"	"O9"	"CHO"	22	38	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	446.250357373595	447.25885926506	-2.74608027693812	2.75	447	446.758221956211	0.241778043788884	4	0.409090909090909	1.72727272727273	-5	34.3270448317615	31	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21765673.6261134	449.128044417495	424.559874177135	"C18H24O13"	"O13"	"CHO"	18	24	13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	448.120767965335	449.12896730766	-2.05946751626037	2.06	449	448.626544030775	0.37345596922512	7	0.722222222222222	1.33333333333333	-6	34.4708992965769	31	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+67502234.8446268	345.153386632591	586.045847239487	"C16H24O8"	"O8"	"CHO"	16	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.146110180431	345.15439419616	-2.92772034675767	2.93	345	344.76798527762	0.232014722380086	5	0.5	1.5	-3	26.4728552110769	24	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38347722.7678656	235.154632819017	533.572886239266	"C11H22O5"	"O5"	"CHO"	11	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.147356366857	235.15400026546	2.70151910659121	2.7	235	234.892057055237	0.107942944762613	1	0.454545454545455	2	-4	18.0112864471769	16	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+71593815.697789	453.174683352633	555.058724046358	"C22H28O10"	"O10"	"CHO"	22	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	452.167406900473	453.17552356836	-1.8581961329598	1.86	453	452.668664452727	0.331335547273113	9	0.454545454545455	1.27272727272727	-1	34.7821728550923	32	0.9	46	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+54930239.7346601	345.206742182997	564.930892468579	"C21H28O4"	"O4"	"CHO"	21	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.199465730837	345.20603583456	2.05214855725202	2.05	345	344.821281250742	0.17871874925828	8	0.19047619047619	1.33333333333333	4	26.4768276448	25	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+73714704.2069821	313.091089626815	397.585049249136	"C14H16O8"	"O8"	"CHO"	14	16	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.083813174655	313.09179394096	-2.25681087975671	2.26	313	312.741489319112	0.258510680888151	7	0.571428571428571	1.14285714285714	-1	24.0065013452923	22	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20531701.6259347	235.205451195562	685.734903006311	"C16H26O"	"O"	"CHO"	16	26	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.198174743402	235.20564190386	-0.814303092675948	0.81	235	234.942818687529	0.0571813124708456	4	0.0625	1.625	3	18.0152588809	17	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24615456.0422894	237.061070979319	310.479150673696	"C8H12O8"	"O8"	"CHO"	8	12	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.053794527159	237.06049381336	2.44506113604898	2.45	237	236.796366469658	0.203633530341733	3	1	1.5	-5	18.1579397970154	16	0.9	18	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+196056960.023531	347.184418213896	431.561524354824	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.177141761736	347.18530039306	-2.54834608528306	2.55	347	346.796748990917	0.203251009083147	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+89983028.3644001	457.190978742512	475.836241823172	"C18H32O13"	"O13"	"CHO"	18	32	13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	456.183702290352	457.19156756286	-1.29075270554576	1.29	457	456.680475211294	0.31952478870636	3	0.722222222222222	1.77777777777778	-10	35.0910993162077	31	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35135937.8188327	457.221151526137	503.504118946603	"C26H32O7"	"O7"	"CHO"	26	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	456.213875073977	457.22207982906	-2.03479765448416	2.03	457	456.710614303719	0.289385696281101	11	0.269230769230769	1.23076923076923	4	35.0934464136077	33	0.9	54	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143529259.1	459.128073382574	347.303247369843	"C23H22O10"	"O10"	"CHO"	23	22	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	458.120796930414	459.12857337696	-1.09140294287392	1.09	459	458.615406874175	0.384593125824665	13	0.434782608695652	0.956521739130435	3	35.2400997634461	33	0.9	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79092905.6023502	459.202011162696	409.811810761606	"C25H30O8"	"O8"	"CHO"	25	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	458.194734710536	459.20134438756	1.45522216968299	1.46	459	458.689262094712	0.310737905288477	11	0.32	1.2	3	35.2456975334923	33	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+168810994.63856	315.128240252109	218.386199543202	"C11H22O10"	"O10"	"CHO"	11	22	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.120963799949	315.12857337696	-1.06049862760173	1.06	315	314.776365243819	0.223634756181468	1	0.909090909090909	2	-9	24.1631766865231	21	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+253711538.437601	315.180038998428	548.7699662599	"C16H26O6"	"O6"	"CHO"	16	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.172762546268	315.18021501536	-0.56025522560583	0.56	315	314.828106151195	0.171893848805325	4	0.375	1.625	-2	24.1671491202462	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+317616150.1	461.236978159192	379.584747623131	"C22H36O10"	"O10"	"CHO"	22	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	460.229701707032	461.23812382356	-2.48933166128984	2.49	461	460.72195682888	0.278043171120316	5	0.454545454545455	1.63636363636364	-5	35.4023728747231	32	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+322257389.4	315.180040217261	679.2704069	"C16H26O6"	"O6"	"CHO"	16	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.172763765101	315.18021501536	-0.556375724167421	0.56	315	314.828107368667	0.171892631333264	4	0.375	1.625	-2	24.1671491202462	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+206904580.398038	315.180789273921	502.44859774476	"C16H26O6"	"O6"	"CHO"	16	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.173512821761	315.18021501536	1.82783887750029	1.83	315	314.828855588923	0.171144411076625	4	0.375	1.625	-2	24.1671491202462	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+89082478.0664024	463.253390047915	706.218364790113	"C22H38O10"	"O10"	"CHO"	22	38	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	462.246113595755	463.25377388736	-0.830378955564289	0.83	463	462.736117174074	0.263882825926032	4	0.454545454545455	1.72727272727273	-6	35.5574228796308	32	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+194903645.400936	315.216084457157	687.980605808451	"C17H30O5"	"O5"	"CHO"	17	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.208808004997	315.21660052066	-1.64242214038398	1.64	315	314.864111361242	0.135888638757535	3	0.294117647058824	1.76470588235294	-2	24.1699480052692	22	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+54397381.5642522	239.09096963952	407.698483532311	"C12H14O5"	"O5"	"CHO"	12	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.08369318736	239.09140001026	-1.80764475803138	1.81	239	238.823998526881	0.176001473118987	6	0.416666666666667	1.16666666666667	1	18.3141633506231	17	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100916730.33252	239.091465239598	368.209756382328	"C12H14O5"	"O5"	"CHO"	12	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.084188787438	239.09140001026	0.273975934110126	0.27	239	238.824493573568	0.175506426432463	6	0.416666666666667	1.16666666666667	1	18.3141633506231	17	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+53090542.3380805	239.091466660302	546.805111980327	"C12H14O5"	"O5"	"CHO"	12	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.084190208142	239.09140001026	0.279943166142019	0.28	239	238.824494992685	0.175505007314854	6	0.416666666666667	1.16666666666667	1	18.3141633506231	17	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+193951587.867767	317.195191237082	645.514885642218	"C16H28O6"	"O6"	"CHO"	16	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.187914784922	317.19586507916	-2.13114431800344	2.13	317	316.841008252856	0.158991747143546	3	0.375	1.75	-3	24.3221991251538	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+63924928.5381044	317.195191863789	700.6223312	"C16H28O6"	"O6"	"CHO"	16	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.187915411629	317.19586507916	-2.12916224248083	2.13	317	316.841008878864	0.158991121136353	3	0.375	1.75	-3	24.3221991251538	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38410521.8361947	239.200148633619	581.61781820868	"C15H26O2"	"O2"	"CHO"	15	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.192872181459	239.20055652616	-1.71244646101272	1.71	239	238.93305561074	0.0669443892601578	3	0.133333333333333	1.73333333333333	1	18.3225600056923	17	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23045284.1097963	239.200149558732	691.330041795498	"C15H26O2"	"O2"	"CHO"	15	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.192873106572	239.20055652616	-1.70856257241572	1.71	239	238.93305653482	0.0669434651801453	3	0.133333333333333	1.73333333333333	1	18.3225600056923	17	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22020089.5214256	241.055618989444	154.42989360102	"C7H12O9"	"O9"	"CHO"	7	12	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.048342537284	241.05540843566	0.877130755429568	0.88	241	240.78645413179	0.213545868210474	2	1.28571428571429	1.71428571428571	-7	18.4652409218077	16	0.9	16	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+158913316.891004	241.070185475489	403.915531725973	"C11H12O6"	"O6"	"CHO"	11	12	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.062909023329	241.07066456876	-1.99569884792832	2	241	240.801004352766	0.198995647233914	6	0.545454545454545	1.09090909090909	0	18.4664144705077	17	0.9	24	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+50751199.14499	319.101948685732	308.88360266298	"C13H18O9"	"O9"	"CHO"	13	18	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.094672233572	319.10235862706	-1.28874000024815	1.29	319	318.745636599105	0.254363400894874	5	0.692307692307692	1.38461538461538	-4	24.4688524749923	22	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125473026.312602	241.106353265099	393.659221	"C12H16O5"	"O5"	"CHO"	12	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.099076812939	241.10705007406	-2.90217259582655	2.9	241	240.837131757099	0.162868242900913	5	0.416666666666667	1.33333333333333	0	18.4692133555308	17	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+105230987.396154	241.106855645591	364.937787508294	"C12H16O5"	"O5"	"CHO"	12	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.099579193431	241.10705007406	-0.809782631249672	0.81	241	240.837633576629	0.162366423371452	5	0.416666666666667	1.33333333333333	0	18.4692133555308	17	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+288852437.892943	241.106856632069	479.763302935677	"C12H16O5"	"O5"	"CHO"	12	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.099580179909	241.10705007406	-0.805674007661804	0.81	241	240.837634562005	0.162365437994964	5	0.416666666666667	1.33333333333333	0	18.4692133555308	17	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46209228.0793205	241.106857077716	547.1750282	"C12H16O5"	"O5"	"CHO"	12	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.099580625556	241.10705007406	-0.803817913779303	0.8	241	240.837635007154	0.162364992845568	5	0.416666666666667	1.33333333333333	0	18.4692133555308	17	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51005341.1021561	319.211362310522	573.602898621281	"C16H30O6"	"O6"	"CHO"	16	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.204085858362	319.21151514296	-0.480296906105299	0.48	319	318.854928051664	0.145071948335726	2	0.375	1.875	-4	24.4772491300615	22	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+31042161.8412933	477.283746968883	737.16138017306	"C27H40O7"	"O7"	"CHO"	27	40	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	476.276470516723	477.28468008426	-1.95918848559233	1.96	477	476.750807673163	0.249192326837374	8	0.259259259259259	1.48148148148148	1	36.6367233563154	34	0.9	56	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23818979.6922602	479.226166444781	495.925430246591	"C25H34O9"	"O9"	"CHO"	25	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	478.218889992621	479.22755913746	-2.91224940746398	2.91	479	478.691058226121	0.308941773878985	9	0.36	1.36	0	36.7861755911769	34	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40439570.9797775	321.080760396159	165.642215314984	"C12H16O10"	"O10"	"CHO"	12	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.073483943999	321.08162318556	-2.69559786814497	2.7	321	320.722238750698	0.277761249301591	5	0.833333333333333	1.33333333333333	-5	24.6211035948769	22	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25551213.0445146	241.21591176674	700.579707232378	"C15H28O2"	"O2"	"CHO"	15	28	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.20863531458	241.21620658996	-1.22736311963358	1.23	241	240.946567924738	0.0534320752616111	2	0.133333333333333	1.86666666666667	0	18.4776100106	17	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+77879641.7719177	321.190422262025	513.592162207265	"C15H28O7"	"O7"	"CHO"	15	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.183145809865	321.19077970146	-1.11635930769703	1.12	321	320.831778167145	0.168221832854726	2	0.466666666666667	1.86666666666667	-5	24.6295002499462	22	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+157546293.952548	321.205872158847	535.337335959292	"C19H28O4"	"O4"	"CHO"	19	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.198595706687	321.20603583456	-0.511169365487097	0.51	321	320.847210812474	0.152789187525514	6	0.210526315789474	1.47368421052632	2	24.6306737986462	23	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+623185233.877111	243.122424442083	396.627739439865	"C12H18O5"	"O5"	"CHO"	12	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.115147989923	243.12270013786	-1.13869693512476	1.14	243	242.850951770996	0.149048229003881	4	0.416666666666667	1.5	-1	18.6242633604385	17	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52304257.5525973	243.122425437101	517.434510929453	"C12H18O5"	"O5"	"CHO"	12	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.115148984941	243.12270013786	-1.13458724136274	1.13	243	242.850952764903	0.14904723509693	4	0.416666666666667	1.5	-1	18.6242633604385	17	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+602922688.46571	243.122934131316	475.889808427478	"C12H18O5"	"O5"	"CHO"	12	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.115657679156	243.12270013786	0.966453216054428	0.97	243	242.851460891106	0.148539108894454	4	0.416666666666667	1.5	-1	18.6242633604385	17	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100422444.350062	487.254182181882	638.242979451485	"C24H38O10"	"O10"	"CHO"	24	38	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	486.246905729722	487.25377388736	0.839685594277827	0.84	487	486.710109809131	0.289890190868903	6	0.416666666666667	1.58333333333333	-4	37.4035767257846	34	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+83287443.9446276	243.195186877923	655.794399185912	"C14H26O3"	"O3"	"CHO"	14	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.187910425763	243.19547114846	-1.17376022819958	1.17	243	242.92363295965	0.0763670403497656	2	0.214285714285714	1.85714285714286	-1	18.6298611304846	17	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+94968190.0217109	245.080951941323	481.831231129791	"C14H12O4"	"O4"	"CHO"	14	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.073675489163	245.08083532416	0.477794923062064	0.48	245	244.807292360934	0.192707639066185	9	0.285714285714286	0.857142857142857	5	18.774889144	18	1	30	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59735847.4473602	323.257347688891	647.776252825704	"C20H34O3"	"O3"	"CHO"	20	34	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.250071236731	323.25807140366	-2.24581725056949	2.25	323	322.896395646615	0.103604353385435	4	0.15	1.7	1	24.7885226885769	23	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+146381582.689166	245.101545143318	404.760412135313	"C11H16O6"	"O6"	"CHO"	11	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.094268691158	245.10196469636	-1.71881562082112	1.72	245	244.827862568375	0.17213743162452	4	0.545454545454545	1.45454545454545	-2	18.7765144803231	17	0.9	24	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+914142654.075268	245.138110912594	521.291013218973	"C12H20O5"	"O5"	"CHO"	12	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.130834460434	245.13835020166	-0.980167321062769	0.98	245	244.864387507987	0.135612492013166	3	0.416666666666667	1.66666666666667	-2	18.7793133653462	17	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+1016810606.80787	245.138110912711	471.352321947686	"C12H20O5"	"O5"	"CHO"	12	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.130834460551	245.13835020166	-0.980166841761199	0.98	245	244.864387508104	0.135612491896296	3	0.416666666666667	1.66666666666667	-2	18.7793133653462	17	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+183122215.776089	245.153563564879	588.217389371596	"C16H20O2"	"O2"	"CHO"	16	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.146287112719	245.15360633476	-0.17518136984887	0.18	245	244.879822905702	0.120177094297759	7	0.125	1.25	5	18.7804869140462	18	1	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+102383943.694118	245.174168867018	701.455714741543	"C13H24O4"	"O4"	"CHO"	13	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.166892414858	245.17473570696	-2.32152662627543	2.32	245	244.900405199777	0.0995948002231728	2	0.307692307692308	1.84615384615385	-2	18.7821122503692	17	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+41126878.9442782	247.096595224417	517.074074344872	"C14H14O4"	"O4"	"CHO"	14	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.089318772257	247.09648538796	0.446327607991183	0.45	247	246.820684958731	0.179315041269007	8	0.285714285714286	1	4	18.9299391489077	18	1	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+86853905.3075488	247.132563190861	500.376404016951	"C15H18O3"	"O3"	"CHO"	15	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.125286738701	247.13287089326	-1.25018604579818	1.25	247	246.856612763022	0.143387236977674	7	0.2	1.2	4	18.9327380339308	18	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+101505362.449329	247.1330845	520.528329239693	"C15H18O3"	"O3"	"CHO"	15	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.12580804784	247.13287089326	0.867876236542249	0.87	247	246.857133490063	0.142866509937136	7	0.2	1.2	4	18.9327380339308	18	1	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+436427836.400878	325.200226221673	624.971590274595	"C18H28O5"	"O5"	"CHO"	18	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.192949769513	325.20095045686	-2.23396340814895	2.23	325	324.83710474387	0.162895256129957	5	0.277777777777778	1.55555555555556	0	24.9379749234385	23	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+269823230.429959	325.200226863784	653.321681299693	"C18H28O5"	"O5"	"CHO"	18	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.192950411624	325.20095045686	-2.2319827592058	2.23	325	324.837105385264	0.16289461473599	5	0.277777777777778	1.55555555555556	0	24.9379749234385	23	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+67693261.67	325.236429457003	680.503134098919	"C19H32O4"	"O4"	"CHO"	19	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.229153004843	325.23733596216	-2.79587800353349	2.8	325	324.873267554344	0.126732445655989	4	0.210526315789474	1.68421052631579	0	24.9407738084615	23	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+465094987.642793	247.169061870882	694.52977724355	"C16H22O2"	"O2"	"CHO"	16	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.161785418722	247.16925639856	-0.790243204030199	0.79	247	246.893070688291	0.106929311708853	6	0.125	1.375	4	18.9355369189538	18	1	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+871960405.9	497.238160145162	533.297411015051	"C25H36O10"	"O10"	"CHO"	25	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	496.230883693002	497.23812382356	0.0731949648055701	0.07	497	496.682939573425	0.317060426575438	8	0.4	1.44	-2	38.1716036439538	35	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+150542764.300104	327.106681872755	437.127378714478	"C15H18O8"	"O8"	"CHO"	15	18	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.099405420595	327.10744400476	-2.33711559208868	2.34	327	326.741431629541	0.258568370459443	7	0.533333333333333	1.2	-1	25.0846282732769	23	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+108577752.080177	271.116987929864	363.381465291143	"C13H18O6"	"O6"	"CHO"	13	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.109711477704	271.11761476016	-2.32065071833911	2.32	271	270.814256279095	0.185743720905123	5	0.461538461538462	1.38461538461538	-1	20.7777183313846	19	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+356791562.179996	271.154134222943	597.088481363817	"C14H22O5"	"O5"	"CHO"	14	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.146857770783	271.15400026546	0.495869113957748	0.5	271	270.851361094291	0.148638905708822	4	0.357142857142857	1.57142857142857	-1	20.7805172164077	19	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+92776156.6934022	327.180527536689	627.344365359625	"C17H26O6"	"O6"	"CHO"	17	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.173251084529	327.18021501536	0.958145181993568	0.96	327	326.815194836746	0.184805163253543	5	0.352941176470588	1.52941176470588	-1	25.0902260433231	23	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+706207662.3095	327.216267046548	658.569009858429	"C18H30O5"	"O5"	"CHO"	18	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.208990594388	327.21660052066	-1.02227137080219	1.02	327	326.85089443955	0.149105560450494	4	0.277777777777778	1.66666666666667	-1	25.0930249283462	23	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+122716051.254698	249.133523321168	165.402343813755	"C11H20O6"	"O6"	"CHO"	11	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.126246869008	249.13326482396	1.04179711439754	1.04	249	248.855338603372	0.144661396627924	2	0.545454545454545	1.81818181818182	-4	19.0866144901385	17	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+74870424.877063	249.148289361848	555.029994489121	"C15H20O3"	"O3"	"CHO"	15	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.141012909688	249.14852095706	-0.933320974685929	0.93	249	248.870088156159	0.129911843840887	6	0.2	1.33333333333333	3	19.0877880388385	18	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+146784470.837123	249.14828983264	617.102549929766	"C15H20O3"	"O3"	"CHO"	15	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.14101338048	249.14852095706	-0.931423696861106	0.93	249	248.870088626425	0.129911373574572	6	0.2	1.33333333333333	3	19.0877880388385	18	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21647018.2008871	249.148290324881	693.330951190241	"C15H20O3"	"O3"	"CHO"	15	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.141013872721	249.14852095706	-0.929439980163192	0.93	249	248.870089118117	0.129910881883177	6	0.2	1.33333333333333	3	19.0877880388385	18	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223715200.823306	329.158936457388	485.11576752168	"C16H24O7"	"O7"	"CHO"	16	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.151660005228	329.15947957386	-1.65507763081059	1.66	329	328.79139464837	0.208605351629672	5	0.4375	1.5	-2	25.2424771632077	23	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+322977225.058433	329.158937066272	527.258315334086	"C16H24O7"	"O7"	"CHO"	16	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.151660614112	329.15947957386	-1.65322213195703	1.65	329	328.791395256574	0.208604743425553	5	0.4375	1.5	-2	25.2424771632077	23	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+115019884.272242	415.268063979938	719.9968122108	"C22H38O7"	"O7"	"CHO"	22	38	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.260787527778	415.26903002046	-2.33196225918095	2.33	415	414.804371949865	0.19562805013453	4	0.318181818181818	1.72727272727273	-3	31.8662887360231	29	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+37680629.4840146	367.189663353718	822.395667512514	"C23H26O4"	"O4"	"CHO"	23	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.182386901558	367.19038577076	-1.97283394250597	1.97	367	366.779656095297	0.220343904702816	11	0.173913043478261	1.1304347826087	7	28.1679314860462	27	1	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+77480764.5756688	367.189668882483	1271.50282874464	"C23H26O4"	"O4"	"CHO"	23	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.182392430323	367.19038577076	-1.95773552162453	1.96	367	366.779661617889	0.220338382111322	11	0.173913043478261	1.1304347826087	7	28.1679314860462	27	1	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+138965841.648087	329.231873592737	593.243864143523	"C18H32O5"	"O5"	"CHO"	18	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.224597140577	329.23225058446	-1.14857852297394	1.15	329	328.864250341462	0.135749658537577	3	0.277777777777778	1.77777777777778	-2	25.2480749332538	23	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45686645.1654632	275.113079053009	221.521345551286	"C12H18O7"	"O7"	"CHO"	12	18	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.105802600849	275.11252938246	2.00532255732312	2.01	275	274.805885331192	0.194114668807629	4	0.583333333333333	1.5	-3	21.0850194561769	19	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+126337307.311018	367.210434036536	642.044223082592	"C20H30O6"	"O6"	"CHO"	20	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.203157584376	367.21151514296	-2.95220399283713	2.95	367	366.800403585385	0.199596414614803	6	0.3	1.5	0	28.1695568223692	26	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175748490.171587	331.138363126952	130.178179883049	"C15H22O8"	"O8"	"CHO"	15	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.131086674792	331.13874413236	-1.15410339514289	1.15	331	330.768611072432	0.231388927568275	5	0.533333333333333	1.46666666666667	-3	25.3947282830923	23	0.9	32	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+72906846.5692099	331.17475446817	480.648395143507	"C16H26O7"	"O7"	"CHO"	16	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.16747801601	331.17512963766	-1.13630055945891	1.14	331	330.804961778753	0.195038221246932	4	0.4375	1.625	-3	25.3975271681154	23	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+130395593.378555	251.09104322386	462.951101230604	"C13H14O5"	"O5"	"CHO"	13	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.0837667717	251.09140001026	-1.42666757055839	1.43	251	250.810672721853	0.189327278146948	7	0.384615384615385	1.07692307692308	2	19.2372402737	18	0.9	28	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+111359286.618181	331.174755080023	571.950153290431	"C16H26O7"	"O7"	"CHO"	16	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.167478627863	331.17512963766	-1.13444739799106	1.13	331	330.804962389923	0.195037610077179	4	0.4375	1.625	-3	25.3975271681154	23	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+74130279.32	303.194973778509	505.533194437293	"C19H26O3"	"O3"	"CHO"	19	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.187697326349	303.19547114846	-1.64589741874529	1.65	303	302.85642356217	0.143576437830177	7	0.157894736842105	1.36842105263158	4	23.2452457458692	22	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+89400441.1507177	303.194974339572	533.208231945534	"C19H26O3"	"O3"	"CHO"	19	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.187697887412	303.19547114846	-1.64404074507644	1.64	303	302.856424122606	0.14357587739363	7	0.157894736842105	1.36842105263158	4	23.2452457458692	22	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+41751491.1216618	331.283964897686	925.858690842933	"C19H38O4"	"O4"	"CHO"	19	38	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.276688445526	331.28428615356	-0.972687099100755	0.97	331	330.914050262928	0.0859497370722124	1	0.210526315789474	2	-3	25.4059238231846	23	0.9	40	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+81827744.57	251.148714656194	376.712520248583	"C11H22O6"	"O6"	"CHO"	11	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.141438204034	251.14891488776	-0.800473393914792	0.8	251	250.86827975775	0.131720242249514	1	0.545454545454545	2	-5	19.2416644950462	17	0.9	24	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+97710565.3317903	303.216229192037	591.714729945755	"C16H30O5"	"O5"	"CHO"	16	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.208952739877	303.21660052066	-1.2287148332598	1.23	303	302.877655241713	0.122344758286772	2	0.3125	1.875	-3	23.2468710821923	21	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+92149365.533502	303.216229790551	648.835442694113	"C16H30O5"	"O5"	"CHO"	16	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.208953338391	303.21660052066	-1.22673436678945	1.23	303	302.877655839559	0.122344160441116	2	0.3125	1.875	-3	23.2468710821923	21	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+476098344.933165	305.08609389334	233.277852042091	"C12H16O9"	"O9"	"CHO"	12	16	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.07881744118	305.08670856326	-2.02141643800851	2.02	305	304.745432035386	0.254567964613898	5	0.75	1.33333333333333	-4	23.3907255470077	21	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+89914726.6741421	305.087525935366	413.673558553868	"C12H16O9"	"O9"	"CHO"	12	16	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.080249483206	305.08670856326	2.68801445465106	2.69	305	304.746862478381	0.253137521618783	5	0.75	1.33333333333333	-4	23.3907255470077	21	0.9	26	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+96952209.8083757	333.2262898	682.160742930592	"C17H32O6"	"O6"	"CHO"	17	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.21901334784	333.22716520676	-2.63502907660892	2.64	333	332.854206347904	0.145793652096074	2	0.352941176470588	1.88235294117647	-4	25.5553760580462	23	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+96832693.1072372	253.0706551	257.305594748108	"C12H12O6"	"O6"	"CHO"	12	12	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.06337864784	253.07066456876	-0.0375649966316851	0.04	253	252.788074145687	0.211925854312852	7	0.5	1	1	19.3894913935846	18	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175800277.105367	253.106314880516	427.4575952018	"C13H16O5"	"O5"	"CHO"	13	16	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.099038428356	253.10705007406	-2.91628856885735	2.92	253	252.823694108174	0.17630589182636	6	0.384615384615385	1.23076923076923	1	19.3922902786077	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+48349088.0814597	335.221983069299	470.737229499949	"C20H30O4"	"O4"	"CHO"	20	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	334.214706617139	335.22168589836	0.889161766571514	0.89	335	334.84767120827	0.15232879173027	6	0.2	1.5	2	25.7088007266308	24	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+261140176.806015	253.179819702577	627.47814389983	"C15H24O3"	"O3"	"CHO"	15	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.172543250417	253.17982108466	-0.00548070378937215	0.01	253	252.897116854094	0.102883145906333	4	0.2	1.6	1	19.3978880486538	18	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24303701.7111489	253.215502493355	689.582293665653	"C16H28O2"	"O2"	"CHO"	16	28	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.208226041195	253.21620658996	-2.79172735979905	2.79	253	252.932759801149	0.0672401988512945	3	0.125	1.75	1	19.4006869336769	18	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22377523.7478372	255.086011044712	201.243143319311	"C12H14O6"	"O6"	"CHO"	12	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.078734592552	255.08631463256	-1.19485736772085	1.19	255	254.801179725947	0.198820274053105	6	0.5	1.16666666666667	0	19.5445413984923	18	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32761740.0564573	255.086344363896	331.207912534824	"C12H14O6"	"O6"	"CHO"	12	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.079067911736	255.08631463256	0.117016077827748	0.12	255	254.801512672944	0.198487327056284	6	0.5	1.16666666666667	0	19.5445413984923	18	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56167110.0041532	255.086344900556	358.166630915749	"C12H14O6"	"O6"	"CHO"	12	14	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.079068448396	255.08631463256	0.119128254817938	0.12	255	254.801513209004	0.198486790995503	6	0.5	1.16666666666667	0	19.5445413984923	18	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51411804.2768797	255.122431011693	361.457845628046	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.115154559533	255.12270013786	-1.05907169299638	1.06	255	254.837559026067	0.162440973932576	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+124204291.228446	255.122431539037	453.641886443482	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.115155086877	255.12270013786	-1.05699647420952	1.06	255	254.837559552823	0.162440447177431	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+62718015.0080318	377.14379482552	356.287432976902	"C16H24O10"	"O10"	"CHO"	16	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.13651837336	377.14422344076	-1.13952041104399	1.14	377	376.722672694972	0.277327305028336	5	0.625	1.5	-5	28.9336113068154	26	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+86814339.54	339.165245343684	315.32955432411	"C14H26O9"	"O9"	"CHO"	14	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.157968891524	339.16495888226	0.847123091507307	0.85	339	338.786530400772	0.213469599228347	2	0.642857142857143	1.85714285714286	-7	26.0121294177	23	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25864178.0000096	255.12243451862	811.475105497223	"C13H18O5"	"O5"	"CHO"	13	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.11515806646	255.12270013786	-1.04527113608431	1.05	255	254.837562529079	0.162437470921446	5	0.384615384615385	1.38461538461538	0	19.5473402835154	18	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+173859319.991454	339.252436055406	651.482007133249	"C20H34O4"	"O4"	"CHO"	20	34	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.245159603246	339.25298602596	-1.62595247379071	1.63	339	338.873623754566	0.12637624543396	4	0.2	1.7	0	26.0189007364462	24	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331208128.665361	341.195163027526	621.4303679	"C18H28O6"	"O6"	"CHO"	18	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.187886575366	341.19586507916	-2.06371732121617	2.06	341	340.814181460393	0.185818539606544	5	0.333333333333333	1.55555555555556	-1	26.1683529713077	24	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175354285.706344	341.195163701348	657.903440729472	"C18H28O6"	"O6"	"CHO"	18	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.187887249188	341.19586507916	-2.0617365822872	2.06	341	340.814182133463	0.185817866536922	5	0.333333333333333	1.55555555555556	-1	26.1683529713077	24	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+148350166.41735	255.19517525889	639.559757030591	"C15H26O3"	"O3"	"CHO"	15	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.18789880673	255.19547114846	-1.16405844411412	1.16	255	254.910222046388	0.0897779536118719	3	0.2	1.73333333333333	0	19.5529380535615	18	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28744438.6307366	255.231286497577	833.613619111504	"C16H30O2"	"O2"	"CHO"	16	30	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.224010045417	255.23185665376	-2.24273145123547	2.24	255	254.946292962943	0.0537070370565971	2	0.125	1.875	0	19.5557369385846	18	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58146733.4983053	343.044608845503	194.900961011564	"C17H10O8"	"O8"	"CHO"	17	10	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.037332393343	343.04484374956	-0.686778999807617	0.69	343	342.661562170648	0.338437829352074	13	0.470588235294118	0.588235294117647	5	26.3105820998	25	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+83060413.1933036	281.211001381458	568.425162618952	"C17H28O3"	"O3"	"CHO"	17	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	280.203724929298	281.21112121226	-0.427655992061161	0.43	281	280.896998665093	0.103001334906935	4	0.176470588235294	1.64705882352941	1	21.5541419046231	20	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+230236263.21915	379.212284879755	518.279575036733	"C21H30O6"	"O6"	"CHO"	21	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	378.205008427595	379.21151514296	2.03523691595365	2.04	379	378.788853054733	0.211146945266933	7	0.285714285714286	1.42857142857143	1	29.0926337454462	27	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+125118805.619925	443.1746165	542.787703082108	"C17H30O13"	"O13"	"CHO"	17	30	13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	442.16734004784	443.17591749906	-2.94232283155927	2.94	443	442.679763764078	0.320236235921982	3	0.764705882352941	1.76470588235294	-10	34.0129723882231	30	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45025441.1768761	381.117061017739	454.156310850182	"C18H20O9"	"O9"	"CHO"	18	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.109784565579	381.11800869086	-2.49315634452131	2.49	381	380.691502302665	0.308497697335099	9	0.5	1.11111111111111	0	29.2392870952846	27	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+109326428.810938	257.1892988	481.207835147204	"C18H24O"	"O"	"CHO"	18	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.18202234784	257.18999184006	-2.70526422426389	2.71	257	256.902118931337	0.0978810686625025	7	0.0555555555555556	1.33333333333333	6	19.7063627221462	19	1	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+76661013.9381832	257.210887710932	674.763077067104	"C15H28O3"	"O3"	"CHO"	15	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.203611258772	257.21112121226	-0.911389682634148	0.91	257	256.923683735899	0.0763162641013651	2	0.2	1.86666666666667	-1	19.7079880584692	18	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119671996.035182	259.117335579209	280.279991122528	"C12H18O6"	"O6"	"CHO"	12	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.110059127049	259.11761476016	-1.08163529907137	1.08	259	258.828002847455	0.171997152545487	4	0.5	1.5	-2	19.8546414083077	18	0.9	26	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22776609.220408	343.139271121947	550.824278018571	"C16H22O8"	"O8"	"CHO"	16	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.131994669787	343.13874413236	1.54031074325601	1.54	343	342.756118746348	0.243881253651637	6	0.5	1.375	-2	26.3178052061692	24	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24998681.9485614	295.081303597845	329.360222259527	"C14H14O7"	"O7"	"CHO"	14	14	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.074027145685	295.08122925486	0.252803641879144	0.25	295	294.751813178114	0.248186821886236	8	0.5	1	1	22.6210732925154	21	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20144898.0223243	311.163470541142	713.748984753899	"C20H22O3"	"O3"	"CHO"	20	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.156194088982	311.16417102086	-2.25847405703116	2.26	311	310.81602263013	0.183977369869581	10	0.15	1.1	7	23.8582226591308	23	1	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+85663254.4653719	345.153384582158	397.994917483733	"C16H24O8"	"O8"	"CHO"	16	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.146108129998	345.15439419616	-2.93367839454246	2.93	345	344.767983229476	0.232016770523501	5	0.5	1.5	-3	26.4728552110769	24	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+141165831.831464	345.153385295514	453.556568938417	"C16H24O8"	"O8"	"CHO"	16	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.146108843354	345.15439419616	-2.9316055596394	2.93	345	344.767983942036	0.232016057964074	5	0.5	1.5	-3	26.4728552110769	24	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175855378.328113	385.127072703372	150.809527868777	"C21H20O7"	"O7"	"CHO"	21	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.119796251212	385.12817944626	-2.88124407749732	2.88	385	384.697036373426	0.302963626574012	12	0.333333333333333	0.952380952380952	5	29.5477617687769	28	0.9	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+75580878.0997705	451.269958186889	736.922918854	"C25H38O7"	"O7"	"CHO"	25	38	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	450.262681734729	451.26903002046	2.06138875527594	2.06	451	450.766066120119	0.233933879880965	7	0.28	1.52	0	34.6355195052538	32	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185784824.022966	345.190388635287	541.77928411575	"C17H28O7"	"O7"	"CHO"	17	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.183112183127	345.19077970146	-1.13621545959698	1.14	345	344.804945963549	0.19505403645087	4	0.411764705882353	1.64705882352941	-3	26.4756540961	24	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+81540220.6851706	285.133163013579	393.806020185072	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125886561419	285.13326482396	-0.358328423514073	0.36	285	284.814780776497	0.185219223503282	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+543746299.289386	345.226539852126	333.616356909498	"C18H32O6"	"O6"	"CHO"	18	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.219263399966	345.22716520676	-1.81673340364347	1.82	345	344.841056813616	0.15894318638351	3	0.333333333333333	1.77777777777778	-3	26.4784529811231	24	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+241999271.396477	259.205236189027	287.878102408943	"C18H26O"	"O"	"CHO"	18	26	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.197959736867	259.20564190386	-1.57133245129792	1.57	259	258.915805306666	0.0841946933336999	6	0.0555555555555556	1.44444444444444	5	19.8614127270538	19	1	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28779334.8264582	261.07560237228	458.5967248	"C14H12O5"	"O5"	"CHO"	14	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.06832592012	261.07574994646	-0.567443880306754	0.57	261	260.78408302233	0.215916977669963	9	0.357142857142857	0.857142857142857	4	20.0052671918692	19	0.9	30	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+174704884.455585	285.169348485716	501.530254761226	"C15H24O5"	"O5"	"CHO"	15	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.162072033556	285.16965032926	-1.06222319474163	1.06	285	284.850925843612	0.149074156387769	4	0.333333333333333	1.6	-1	21.8586441443923	20	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+86619392.119046	347.184420901798	697.841956525437	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.177144449638	347.18530039306	-2.54058153788362	2.54	347	346.796751675818	0.203248324182482	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+113257986.164616	347.185288296729	596.921805641379	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.178011844569	347.18530039306	-0.0349425167485945	0.03	347	346.797618102208	0.202381897792407	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+65532261.471101	261.170161949777	518.925320372871	"C13H24O5"	"O5"	"CHO"	13	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.162885497617	261.16965032926	1.96653921663979	1.97	261	260.878537013758	0.121462986241966	2	0.384615384615385	1.84615384615385	-3	20.0124902982385	18	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+98626047.8549004	261.170161949777	490.819456407632	"C13H24O5"	"O5"	"CHO"	13	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.162885497617	261.16965032926	1.96653921663979	1.97	261	260.878537013758	0.121462986241966	2	0.384615384615385	1.84615384615385	-3	20.0124902982385	18	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Ambiguous"
+191718970.017912	261.205849255758	730.50823624959	"C14H28O4"	"O4"	"CHO"	14	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	260.198572803598	261.20603583456	-0.71706312607748	0.72	261	260.914184470974	0.0858155290256377	1	0.285714285714286	2	-3	20.0152891832615	18	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+96804643.8676134	263.091078275692	415.848778436571	"C14H14O5"	"O5"	"CHO"	14	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.083801823532	263.09140001026	-1.22760188058718	1.23	263	262.797308427343	0.202691572657159	8	0.357142857142857	1	3	20.1603171967769	19	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+160684596.175896	347.242588877017	679.869025842429	"C18H34O6"	"O6"	"CHO"	18	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.235312424857	347.24281527056	-0.653871904142043	0.65	347	346.854854700156	0.145145299844273	2	0.333333333333333	1.88888888888889	-4	26.6335029860308	24	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+142510898.540788	349.149373282303	589.195287331684	"C15H24O9"	"O9"	"CHO"	15	24	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.142096830143	349.14930881846	0.185165320643262	0.19	349	348.75950997294	0.24049002705965	4	0.6	1.6	-5	26.7801563358692	24	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+92542698.4865638	287.200184358761	645.449181776633	"C19H26O2"	"O2"	"CHO"	19	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.192907906601	287.20055652616	-1.300407482745	1.3	287	286.879494067179	0.120505932821231	7	0.105263157894737	1.36842105263158	5	22.014867698	21	1	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+27692883.4464109	263.127733321539	757.5359329	"C15H18O4"	"O4"	"CHO"	15	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.120456869379	263.12778551556	-0.199122272380325	0.2	263	262.833922543838	0.166077456161815	7	0.266666666666667	1.2	3	20.1631160818	19	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+136425803.284235	263.14851971634	390.974019834917	"C12H22O6"	"O6"	"CHO"	12	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.14124326418	263.14891488776	-1.50747518808947	1.51	263	262.854685728365	0.145314271634959	2	0.5	1.83333333333333	-4	20.1647414181231	18	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+259596125.240035	263.163819110387	546.375731748164	"C16H22O3"	"O3"	"CHO"	16	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.156542658227	263.16417102086	-1.34236769157847	1.34	263	262.869968038972	0.13003196102801	6	0.1875	1.375	3	20.1659149668231	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+275477507.754538	263.163819607727	593.941935	"C16H22O3"	"O3"	"CHO"	16	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.156543155567	263.16417102086	-1.34047057822559	1.34	263	262.869968535757	0.130031464243302	6	0.1875	1.375	3	20.1659149668231	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159930995.896627	263.163819608309	639.294761	"C16H22O3"	"O3"	"CHO"	16	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.156543156149	263.16417102086	-1.34046835831646	1.34	263	262.869968536338	0.130031463662021	6	0.1875	1.375	3	20.1659149668231	19	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56081070.7362733	263.185017197282	594.648490048518	"C13H26O5"	"O5"	"CHO"	13	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.177740745122	263.18530039306	-1.08016713096862	1.08	263	262.891142455894	0.108857544106229	1	0.384615384615385	2	-4	20.1675403031462	18	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30407203.4090923	263.199915346605	712.6438282	"C17H26O2"	"O2"	"CHO"	17	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	262.192638894445	263.20055652616	-2.44545215944584	2.45	263	262.90602396981	0.0939760301898218	5	0.117647058823529	1.52941176470588	3	20.1687138518462	19	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30963996.3413598	355.08071503204	352.91818589659	"C19H14O7"	"O7"	"CHO"	19	14	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.07343857988	355.08122925486	-1.45230555000477	1.45	355	354.684228733491	0.315771266508534	13	0.368421052631579	0.736842105263158	6	27.2364579079	26	1	40	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+143984427.74691	355.103164121187	518.7081723	"C16H18O9"	"O9"	"CHO"	16	18	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.095887669027	355.10235862706	2.27479096780805	2.27	355	354.706652755785	0.293347244215056	8	0.5625	1.125	-1	27.2380832442231	25	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79158431.5800819	355.160039122111	142.842921735156	"C14H26O10"	"O10"	"CHO"	14	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.152762669951	355.15987350456	0.467644385391221	0.47	355	354.763464249575	0.236535750425162	2	0.714285714285714	1.85714285714286	-8	27.2425074655692	24	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+229054657.465192	265.085380461518	192.484144128907	"C17H12O3"	"O3"	"CHO"	17	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.078104009358	265.08592070186	-2.04575969680392	2.05	265	264.789383757532	0.21061624246812	12	0.176470588235294	0.705882352941177	9	20.3137418653615	20	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58976495.0391841	265.0853887339	1152.90192761909	"C17H12O3"	"O3"	"CHO"	17	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.07811228174	265.08592070186	-2.01443412104185	2.01	265	264.789392020677	0.210607979323129	12	0.176470588235294	0.705882352941177	9	20.3137418653615	20	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24588005.3346294	265.085390693353	1318.93141229107	"C17H12O3"	"O3"	"CHO"	17	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.078114241193	265.08592070186	-2.00701413105645	2.01	265	264.789393977942	0.210606022058073	12	0.176470588235294	0.705882352941177	9	20.3137418653615	20	1	36	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177410863.610612	265.128242926885	165.527702987117	"C11H20O7"	"O7"	"CHO"	11	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.120966474725	265.12817944626	0.240346784411027	0.24	265	264.832198362287	0.167801637712898	2	0.636363636363636	1.81818181818182	-5	20.3169925380077	18	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Ambiguous"
+65394892.2966515	265.128242926885	164.788837031027	"C11H20O7"	"O7"	"CHO"	11	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.120966474725	265.12817944626	0.240346784411027	0.24	265	264.832198362287	0.167801637712898	2	0.636363636363636	1.81818181818182	-5	20.3169925380077	18	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26521127.6835277	397.22215052784	727.0764127	"C21H32O7"	"O7"	"CHO"	21	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.21487407568	397.22207982906	0.178435451652685	0.18	397	396.778608725943	0.221391274057282	6	0.333333333333333	1.52380952380952	-1	30.4780617982231	28	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+42658820.1590005	319.210598237136	663.933500704501	"C16H30O6"	"O6"	"CHO"	16	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.203321784976	319.21151514296	-2.88150927777495	2.88	319	318.854164831449	0.145835168550548	2	0.375	1.875	-4	24.4772491300615	22	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+120794574.511169	399.091022150712	360.489096360729	"C17H18O11"	"O11"	"CHO"	17	18	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.083745698552	399.09218787166	-2.92833093687196	2.93	399	398.645393550065	0.35460644993509	9	0.647058823529412	1.05882352941176	-2	30.6219162630385	28	0.9	36	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+37270164.0739961	295.029615170202	254.800589621744	"C9H10O11"	"O11"	"CHO"	9	10	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.022338718042	295.02958761646	0.0937130904729096	0.09	295	294.700182466231	0.299817533769158	5	1.22222222222222	1.11111111111111	-6	22.6171008587923	20	0.9	20	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26171063.7244504	303.179388727235	503.308229307823	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172112275075	303.18021501536	-2.73449498288323	2.73	303	302.840855913303	0.159144086696699	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187506413.301998	357.190170905733	562.829691066334	"C18H28O7"	"O7"	"CHO"	18	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.182894453573	357.19077970146	-1.70922224636742	1.71	357	356.791329169911	0.20867083008909	5	0.388888888888889	1.55555555555556	-2	27.3987310191769	25	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25918601.3651627	357.190171580685	616.976112620306	"C18H28O7"	"O7"	"CHO"	18	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.182895128525	357.19077970146	-1.70732728410489	1.71	357	356.791329844109	0.208670155890786	5	0.388888888888889	1.55555555555556	-2	27.3987310191769	25	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+350997402.83209	267.12236751965	513.278411228934	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.11509106749	267.12270013786	-1.24990359849309	1.25	267	266.824096297717	0.175903702282767	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+373187454.807193	267.12236904666	694.825338792587	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.1150925945	267.12270013786	-1.24416543500502	1.24	267	266.824097823022	0.175902176977843	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+119762382.344795	267.122369547836	754.569058710899	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.115093095676	267.12270013786	-1.24228212732374	1.24	267	266.824098323639	0.175901676361491	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+920636657.315155	267.122418171045	300.687673473364	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.115141718885	267.12270013786	-1.05956697214396	1.06	267	266.824146892554	0.175853107445619	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+766738141.138855	267.12295386121	554.150345090884	"C14H18O5"	"O5"	"CHO"	14	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	266.11567740905	267.12270013786	0.953432554317845	0.95	267	266.824681984563	0.175318015437028	6	0.357142857142857	1.28571428571429	1	20.4704172065923	19	0.9	30	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+156965852.977695	359.133009244498	342.586811552539	"C16H22O9"	"O9"	"CHO"	16	22	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.125732792338	359.13365875466	-1.8136372300198	1.81	359	358.73199811803	0.268001881969667	6	0.5625	1.375	-3	27.5481832540385	25	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+44847522.8912832	359.169545232044	560.696280710949	"C17H26O8"	"O8"	"CHO"	17	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.162268779884	359.17004425996	-1.39330119184308	1.39	359	358.768493309166	0.231506690833726	5	0.470588235294118	1.52941176470588	-3	27.5509821390615	25	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+254183012.75028	359.206083268496	330.613525182747	"C18H30O7"	"O7"	"CHO"	18	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.198806816336	359.20642976526	-0.96733087157752	0.97	359	358.80499054692	0.195009453079706	4	0.388888888888889	1.66666666666667	-3	27.5537810240846	25	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+108659137.204579	359.242629666219	651.70093778167	"C19H34O6"	"O6"	"CHO"	19	34	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.235353214059	359.24281527056	-0.518107270435131	0.52	359	358.841496136609	0.158503863390877	3	0.315789473684211	1.78947368421053	-3	27.5565799091077	25	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+53635895.7402612	359.278267806528	646.039841791667	"C20H38O5"	"O5"	"CHO"	20	38	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.270991354368	359.27920077586	-2.60408839816273	2.6	359	358.877094483052	0.122905516947696	2	0.25	1.9	-3	27.5593787941308	25	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+94501986.4388212	269.102340645907	509.750583	"C13H16O6"	"O6"	"CHO"	13	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.095064193747	269.10196469636	1.40229939771406	1.4	269	268.801858568293	0.198141431706858	6	0.461538461538462	1.23076923076923	0	20.6226683264769	19	0.9	28	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+159642708.384546	269.123664111593	126.124454687561	"C10H20O8"	"O8"	"CHO"	10	20	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.116387659433	269.12309406856	2.12610291346772	2.13	269	268.823158224007	0.176841775993182	1	0.8	2	-7	20.6242936628	18	0.9	22	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+54818277.8662213	361.184760991827	551.007935	"C17H28O8"	"O8"	"CHO"	17	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.177484539667	361.18569432376	-2.5913111537762	2.59	361	360.781458861029	0.218541138971261	4	0.470588235294118	1.64705882352941	-4	27.7060321439692	25	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+270332205.929435	407.22659111443	371.886923599262	"C19H34O9"	"O9"	"CHO"	19	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	406.21931466227	407.22755913746	-2.38300591591165	2.38	407	406.771878264798	0.228121735201739	3	0.473684210526316	1.78947368421053	-6	31.2477140527154	28	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+161305884.711567	361.200420442837	555.742338896937	"C21H28O5"	"O5"	"CHO"	21	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.193143990677	361.20095045686	-1.47147171399301	1.47	361	360.797100826556	0.202899173444109	8	0.238095238095238	1.33333333333333	3	27.7072056926692	26	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+33605035.0957564	361.200421125726	608.6628259	"C21H28O5"	"O5"	"CHO"	21	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.193144673566	361.20095045686	-1.46957581454054	1.47	361	360.797101508682	0.202898491317683	8	0.238095238095238	1.33333333333333	3	27.7072056926692	26	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+48809173.1293542	361.236350311805	672.148863647299	"C22H32O4"	"O4"	"CHO"	22	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.229073859645	361.23733596216	-2.73617657909937	2.74	361	360.832990575911	0.167009424088803	7	0.181818181818182	1.45454545454545	3	27.7100045776923	26	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+44586969.8169834	269.190034324818	620.327888224073	"C19H24O"	"O"	"CHO"	19	24	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.182757872658	269.18999184006	0.158417186656811	0.16	269	268.889454327659	0.110545672341175	8	0.0526315789473684	1.26315789473684	7	20.6294396452231	20	1	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59149270.3098	269.210778723392	599.095938543424	"C16H28O3"	"O3"	"CHO"	16	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.203502271232	269.21112121226	-1.27697388379719	1.28	269	268.910175562852	0.0898244371479109	3	0.1875	1.75	0	20.6310649815462	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32682955.1988247	269.210779255202	704.2091732	"C16H28O3"	"O3"	"CHO"	16	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.203502803042	269.21112121226	-1.27499102135361	1.27	269	268.910176094068	0.0898239059317234	3	0.1875	1.75	0	20.6310649815462	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20481777.922575	269.210779759833	737.849164277252	"C16H28O3"	"O3"	"CHO"	16	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.203503307673	269.21112121226	-1.27310949627133	1.27	269	268.910176598136	0.089823401864237	3	0.1875	1.75	0	20.6310649815462	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24255903.1921241	269.210779760648	720.797751903011	"C16H28O3"	"O3"	"CHO"	16	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.203503308488	269.21112121226	-1.27310645745205	1.27	269	268.91017659895	0.0898234010501255	3	0.1875	1.75	0	20.6310649815462	19	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+41631276.8930532	497.273872984588	697.231700134634	"C26H40O9"	"O9"	"CHO"	26	40	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	496.266596532428	497.27450932886	-1.28226295388005	1.28	497	496.718612535575	0.281387464424995	7	0.346153846153846	1.53846153846154	-2	38.1744025289769	35	0.9	54	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+123640709.900031	363.202121477666	411.488671632464	"C17H30O8"	"O8"	"CHO"	17	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.194845025506	363.20134438756	2.14550294331381	2.15	363	362.796566744127	0.203433255872937	3	0.470588235294118	1.76470588235294	-5	27.8610821488769	25	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51893745.8590981	271.154134758418	656.324952666371	"C14H22O5"	"O5"	"CHO"	14	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.146858306258	271.15400026546	0.497851275615826	0.5	271	270.851361629168	0.148638370831748	4	0.357142857142857	1.57142857142857	-1	20.7805172164077	19	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+91882157.7966795	271.190086449064	522.454214855012	"C15H26O4"	"O4"	"CHO"	15	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.182809996904	271.19038577076	-1.10784877836682	1.11	271	270.887273175835	0.112726824164724	3	0.266666666666667	1.73333333333333	-1	20.7833161014308	19	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+118392146.634107	271.19008799915	676.348553095899	"C15H26O4"	"O4"	"CHO"	15	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.18281154699	271.19038577076	-1.10211159712884	1.1	271	270.88727472419	0.11272527580951	3	0.266666666666667	1.73333333333333	-1	20.7833161014308	19	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+110994569.485144	271.190687279487	650.796587780275	"C15H26O4"	"O4"	"CHO"	15	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	270.183410827327	271.19038577076	1.11594093105462	1.12	271	270.887873335366	0.112126664634332	3	0.266666666666667	1.73333333333333	-1	20.7833161014308	19	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34459265.8331405	365.143711940654	406.338450959632	"C15H24O10"	"O10"	"CHO"	15	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	364.136435488494	365.14422344076	-1.40469356037601	1.4	365	364.735989209859	0.264010790141356	4	0.666666666666667	1.6	-6	28.0105343837385	25	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+147091957.187123	365.180231127588	483.715202310024	"C16H28O9"	"O9"	"CHO"	16	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	364.172954675428	365.18060894606	-1.037469881067	1.04	365	364.772467619142	0.227532380857724	3	0.5625	1.75	-6	28.0133332687615	25	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+131532782.672512	273.133144150694	543.853265769681	"C13H20O6"	"O6"	"CHO"	13	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.125867698534	273.13326482396	-0.44344650884242	0.44	273	272.828161241877	0.171838758122817	4	0.461538461538462	1.53846153846154	-2	20.9327683362923	19	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+105849829.691487	415.232862859968	632.541304240809	"C21H34O8"	"O8"	"CHO"	21	34	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.225586407808	415.23264451516	0.527115695300077	0.53	415	414.76921013578	0.230789864219503	5	0.380952380952381	1.61904761904762	-3	31.863489851	29	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+329460600.930341	293.138129661566	591.901953921204	"C16H20O5"	"O5"	"CHO"	16	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.130853209406	293.13835020166	-0.754935987016544	0.75	293	292.810809007212	0.189190992788497	7	0.3125	1.25	2	22.4716210576538	21	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20714290.9423802	415.320307417715	738.838470715591	"C27H42O3"	"O3"	"CHO"	27	42	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.313030965555	415.32067165886	-0.87914479566723	0.88	415	414.856557052153	0.143442947846893	7	0.111111111111111	1.55555555555556	4	31.8702611697462	30	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39307060.671197	417.174399864334	354.780846852846	"C19H28O10"	"O10"	"CHO"	19	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	416.167123412174	417.17552356836	-2.70012685460488	2.7	417	416.708579202583	0.291420797417459	6	0.526315789473684	1.47368421052632	-4	32.0129420858615	29	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+72580500.7774554	367.197211867348	361.73699122551	"C16H30O9"	"O9"	"CHO"	16	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.189935415188	367.19625900986	2.60208540940941	2.6	367	366.787196180189	0.212803819810574	2	0.5625	1.875	-7	28.1683832736692	25	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+128211811.762306	303.143971383947	417.593907069203	"C14H22O7"	"O7"	"CHO"	14	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.136694931787	303.14382951006	0.469568540937938	0.47	303	302.805478117337	0.194521882662741	4	0.5	1.57142857142857	-3	23.2412733121462	21	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+85935594.4512671	445.279071745936	438.506395746307	"C23H40O8"	"O8"	"CHO"	23	40	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.271795293776	445.27959470656	-1.17711866829922	1.18	445	444.781869156486	0.218130843513961	4	0.347826086956522	1.73913043478261	-4	34.1747937118769	31	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+57454732.6112836	275.127778314385	596.885863938794	"C16H18O4"	"O4"	"CHO"	16	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.120501862225	275.12778551556	-0.0262701072405876	0.03	275	274.820568179242	0.179431820758225	8	0.25	1.125	4	21.0861930048769	20	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+78231118.4735492	369.081520498199	272.577506155769	"C16H16O10"	"O10"	"CHO"	16	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.074244046039	369.08162318556	-0.278985456478217	0.28	369	368.66940077519	0.330599224810442	9	0.625	1	-1	28.3134112871846	26	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+224376384.963835	275.200046063441	585.376096089965	"C18H26O2"	"O2"	"CHO"	18	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	274.192769611281	275.20055652616	-1.86169285098841	1.86	275	274.892755233484	0.10724476651643	6	0.111111111111111	1.44444444444444	4	21.0917907749231	20	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56867766.8623996	421.1484238	509.011694849857	"C21H24O9"	"O9"	"CHO"	21	24	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	420.14114734784	421.14930881846	-2.10647889544541	2.11	421	420.67816570762	0.321834292380345	10	0.428571428571429	1.14285714285714	1	32.3186178743308	30	0.9	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28975700.2017335	483.237975188856	632.257381918728	"C28H34O7"	"O7"	"CHO"	28	34	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	482.230698736696	483.23772989286	0.508669391364644	0.51	483	482.698387348713	0.301612651287371	12	0.25	1.21428571428571	5	37.0946502646692	35	0.9	58	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36270223.0034787	421.207574941315	265.735987316107	"C19H32O10"	"O10"	"CHO"	19	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	420.200298489155	421.20682369596	1.78782679996146	1.79	421	420.737250800242	0.262749199758161	4	0.526315789473684	1.68421052631579	-6	32.3230420956769	29	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+41307727.9201299	303.194974912944	600.053642705637	"C19H26O3"	"O3"	"CHO"	19	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.187698460784	303.19547114846	-1.64214333842672	1.64	303	302.856424695338	0.143575304661852	7	0.157894736842105	1.36842105263158	4	23.2452457458692	22	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+27645670.1253526	303.194976080426	732.293432901961	"C19H26O3"	"O3"	"CHO"	19	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.187699628266	303.19547114846	-1.63827989895686	1.64	303	302.856425861516	0.14357413848353	7	0.157894736842105	1.36842105263158	4	23.2452457458692	22	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+50666396.1325807	333.117750541239	396.23390841223	"C14H20O9"	"O9"	"CHO"	14	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.110474089079	333.11800869086	-0.7773004501354	0.78	333	332.745788285049	0.254211714951111	5	0.642857142857143	1.42857142857143	-4	25.5469794029769	23	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+196163697.761911	425.179504475429	632.520617319769	"C21H28O9"	"O9"	"CHO"	21	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	424.172228023269	425.18060894606	-2.60382589435143	2.6	425	424.704745242354	0.295254757645523	8	0.428571428571429	1.33333333333333	-1	32.6287178841462	30	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26463899.0512268	425.238330358159	360.171596790792	"C19H36O10"	"O10"	"CHO"	19	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	424.231053905999	425.23812382356	0.486844603059823	0.49	425	424.763505439578	0.236494560421704	2	0.526315789473684	1.89473684210526	-8	32.6331421054923	29	0.9	40	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+114158475.339527	425.28893742047	734.716075542769	"C24H40O6"	"O6"	"CHO"	24	40	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	424.28166096831	425.28976546196	-1.95163158392081	1.95	425	424.814055993591	0.18594400640859	5	0.25	1.66666666666667	-1	32.6371145392154	30	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+262949275.010957	427.137910260031	339.935481969123	"C23H22O8"	"O8"	"CHO"	23	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.130633807871	427.13874413236	-1.95684671046824	1.96	427	426.660964253562	0.339035746438185	13	0.347826086956522	0.956521739130435	5	32.7793436677077	31	0.9	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58978791.4201547	373.184936094587	585.058700801063	"C18H28O8"	"O8"	"CHO"	18	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.177659642427	373.18569432376	-2.03727750275073	2.04	373	372.768234461064	0.231765538935576	5	0.444444444444444	1.55555555555556	-3	28.6291090670462	26	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+298388466.739265	373.257503	708.797984063577	"C20H36O6"	"O6"	"CHO"	20	36	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.25022654784	373.25846533436	-2.58518139510992	2.59	373	372.840720337623	0.159279662377457	3	0.3	1.8	-3	28.6347068370923	26	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34833788.7601509	373.272987109714	721.783204640829	"C24H36O3"	"O3"	"CHO"	24	36	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.265710657554	373.27372146746	-1.9726709308197	1.97	373	372.856187157641	0.14381284235867	7	0.125	1.5	4	28.6358803857923	27	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+50713117.48	279.122437941579	487.5904432	"C15H18O5"	"O5"	"CHO"	15	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.115161489419	279.12270013786	-0.942761550888026	0.94	279	278.810767333809	0.189232666190605	7	0.333333333333333	1.2	2	21.3934941296692	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+84274327.8321213	279.122437941754	525.057931932435	"C15H18O5"	"O5"	"CHO"	15	18	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.115161489594	279.12270013786	-0.94276092157659	0.94	279	278.810767333984	0.189232666015755	7	0.333333333333333	1.2	2	21.3934941296692	20	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25372514.2421394	279.144338186565	213.737970195823	"C12H22O7"	"O7"	"CHO"	12	22	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.137061734405	279.14382951006	1.82886991688993	1.83	279	278.832643124786	0.167356875213784	2	0.583333333333333	1.83333333333333	-5	21.3951194659923	19	0.9	26	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+139211582.372844	375.1643322	465.572975817896	"C17H26O9"	"O9"	"CHO"	17	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	374.15705574784	375.16495888226	-1.674917659137	1.67	375	374.745420355103	0.254579644896978	5	0.529411764705882	1.52941176470588	-4	28.7813601869308	26	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+147776009.117211	375.200415227562	550.195506456014	"C18H30O8"	"O8"	"CHO"	18	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	374.193138775402	375.20134438756	-2.48310271265999	2.48	375	374.781463092034	0.21853690796587	4	0.444444444444444	1.66666666666667	-4	28.7841590719538	26	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+97070848.9399767	279.180017243901	519.852726355578	"C13H26O6"	"O6"	"CHO"	13	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.172740791741	279.18021501536	-0.710966352910406	0.71	279	278.868282342568	0.131717657431977	1	0.461538461538462	2	-5	21.3979183510154	19	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+31707981.101934	279.19504137854	568.272127724537	"C17H26O3"	"O3"	"CHO"	17	26	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.18776492638	279.19547114846	-1.54489152359917	1.54	279	278.883289701124	0.116710298875944	5	0.176470588235294	1.52941176470588	2	21.3990918997154	20	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+27475368.3814662	339.158545393482	814.320100767564	"C21H22O4"	"O4"	"CHO"	21	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.151268941322	339.15908564316	-1.59765681111326	1.6	339	338.779837931794	0.220162068206093	11	0.19047619047619	1.04761904761905	7	26.0116776300769	25	1	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209136036.28307	289.165009761513	404.200863400491	"C14H24O6"	"O6"	"CHO"	14	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.157733309353	289.16456495156	1.54363357824334	1.54	289	288.842125528333	0.157874471666901	3	0.428571428571429	1.71428571428571	-3	22.1659452691846	20	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20959968.0858809	391.248836372012	666.876085752277	"C23H34O5"	"O5"	"CHO"	23	34	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.241559919852	391.24790064826	2.39780650791881	2.4	391	390.811964426064	0.188035573935679	7	0.217391304347826	1.47826086956522	2	30.0185095535462	28	0.9	48	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+85321046.7634184	391.263373288753	487.995891799603	"C27H34O2"	"O2"	"CHO"	27	34	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.256096836593	391.26315678136	0.554782858533661	0.55	391	390.826485110754	0.173514889245837	11	0.0740740740740741	1.25925925925926	9	30.0196831022462	29	1	56	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36852206.0101355	377.181146807019	469.199297785449	"C17H28O9"	"O9"	"CHO"	17	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.173870354859	377.18060894606	1.42982009491112	1.43	377	376.759982968914	0.240017031085586	4	0.529411764705882	1.64705882352941	-5	28.9364101918385	26	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38576129.9708501	377.195891928277	524.677014542771	"C21H28O6"	"O6"	"CHO"	21	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.188615476117	377.19586507916	0.071371423464582	0.07	377	376.774711625638	0.225288374361696	8	0.285714285714286	1.33333333333333	2	28.9375837405385	27	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32464299.6689346	377.195892625204	567.284280690343	"C21H28O6"	"O6"	"CHO"	21	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.188616173044	377.19586507916	0.0732240233358634	0.07	377	376.774712321787	0.225287678212851	8	0.285714285714286	1.33333333333333	2	28.9375837405385	27	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46803445.2332361	377.231285904249	693.789473947398	"C22H32O5"	"O5"	"CHO"	22	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.224009452089	377.23225058446	-2.56411123891076	2.56	377	376.810066080381	0.189933919619477	7	0.227272727272727	1.45454545454545	2	28.9403826255615	27	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+67338762.2016111	379.195440331224	576.185730623586	"C17H30O9"	"O9"	"CHO"	17	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	378.188163879064	379.19625900986	-2.16473891619747	2.16	379	378.772027314975	0.227972685024554	3	0.529411764705882	1.76470588235294	-6	29.0914601967462	26	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+207681525.520783	441.174557814796	417.287868938403	"C21H28O10"	"O10"	"CHO"	21	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	440.167281362636	441.17552356836	-2.19406031487968	2.19	441	440.68193836227	0.318061637730409	8	0.476190476190476	1.33333333333333	-2	33.8590959320154	31	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38068599.099451	293.102438823963	514.793304632014	"C15H16O6"	"O6"	"CHO"	15	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.095162371803	293.10196469636	1.62319567076438	1.62	293	292.775158022317	0.224841977683411	8	0.4	1.06666666666667	2	22.4688221726308	21	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+26635985.2740878	365.217691637346	492.546088668655	"C17H32O8"	"O8"	"CHO"	17	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	364.210415185186	365.21699445136	1.91423956294624	1.91	365	364.80988630016	0.190113699839571	2	0.470588235294118	1.88235294117647	-6	28.0161321537846	25	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100186527.57926	293.160354698608	323.357755615816	"C13H24O7"	"O7"	"CHO"	13	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.153078246448	293.15947957386	2.99543223456338	3	293	292.833009227579	0.1669907724214	2	0.538461538461538	1.84615384615385	-5	22.4732463939769	20	0.9	28	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+102870801.123346	381.119058609284	513.83989365742	"C18H20O9"	"O9"	"CHO"	18	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.111782157124	381.11800869086	2.76213070290003	2.76	381	380.693497663681	0.306502336318601	9	0.5	1.11111111111111	0	29.2392870952846	27	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+72508119.5500422	381.174975139903	454.535353898596	"C16H28O10"	"O10"	"CHO"	16	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.167698687743	381.17552356836	-1.44259614601445	1.44	381	380.749351757403	0.250648242597265	3	0.625	1.75	-7	29.2437113166308	26	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+110189528.203936	381.175971421112	263.908422538507	"C16H28O10"	"O10"	"CHO"	16	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	380.168694968952	381.17552356836	1.17803690309422	1.18	381	380.750346926155	0.24965307384474	3	0.625	1.75	-7	29.2437113166308	26	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+175100488.276844	477.231975614841	726.686649982369	"C22H36O11"	"O11"	"CHO"	22	36	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	476.224699162681	477.23303844586	-2.23178474533239	2.23	477	476.699094127477	0.300905872522947	5	0.5	1.63636363636364	-6	36.6327509225923	33	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+129278756.702755	399.1637843	418.869196353694	"C19H26O9"	"O9"	"CHO"	19	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.15650784784	399.16495888226	-2.95005164257337	2.95	399	398.718074452487	0.281925547513026	7	0.473684210526316	1.36842105263158	-2	30.6275140330846	28	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39693650.03	479.226167330729	531.184191332583	"C25H34O9"	"O9"	"CHO"	25	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	478.218890878569	479.22755913746	-2.91039680261822	2.91	479	478.69105911108	0.308940888920176	9	0.36	1.36	0	36.7861755911769	34	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+446622175.208976	447.222095357102	549.51250135672	"C21H34O10"	"O10"	"CHO"	21	34	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	446.214818904942	447.22247375976	-0.84802799448736	0.85	447	446.72272317013	0.277276829870345	5	0.476190476190476	1.61904761904762	-5	34.3242459467385	31	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+193091134.575252	385.11287648203	295.37829693985	"C17H20O10"	"O10"	"CHO"	17	20	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.10560002987	385.11292331316	-0.121922538907357	0.12	385	384.682856003712	0.317143996288451	8	0.588235294117647	1.17647058823529	-2	29.5465882200769	27	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+61406524.5214969	331.174754468635	466.664218485144	"C16H26O7"	"O7"	"CHO"	16	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	330.167478016475	331.17512963766	-1.13629915114426	1.14	331	330.804961779217	0.195038220782521	4	0.4375	1.625	-3	25.3975271681154	23	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+129765991.223512	321.205872765715	635.935530285942	"C19H28O4"	"O4"	"CHO"	19	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.198596313555	321.20603583456	-0.509274078215951	0.51	321	320.847211418665	0.15278858133513	6	0.210526315789474	1.47368421052632	2	24.6306737986462	23	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+120468581.501674	311.220928811078	695.818675516397	"C18H30O4"	"O4"	"CHO"	18	30	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	310.213652358918	311.22168589836	-2.44053501900128	2.44	311	310.873416741649	0.126583258351047	4	0.222222222222222	1.66666666666667	0	23.8626468804769	22	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+80811414.3992582	453.138436436	493.038948676533	"C21H24O11"	"O11"	"CHO"	21	24	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	452.13115998384	453.13913806306	-1.55182195362753	1.55	453	452.632458009725	0.367541990275186	10	0.523809523809524	1.14285714285714	-1	34.7793739700692	32	0.9	44	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+179664754.461159	285.133163602482	445.618057634032	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125887150322	285.13326482396	-0.356255739433519	0.36	285	284.814781364742	0.185218635257911	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+68244536.7337096	285.133164180486	486.650771716186	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125887728326	285.13326482396	-0.354221415084951	0.35	285	284.814781942101	0.185218057899306	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+260884371.899441	285.133164708043	546.080449677056	"C14H20O6"	"O6"	"CHO"	14	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.125888255883	285.13326482396	-0.352364642383981	0.35	285	284.814782469069	0.185217530931368	5	0.428571428571429	1.42857142857143	-1	21.8558452593692	20	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+247453001.176331	313.128264107885	226.969029141876	"C15H20O7"	"O7"	"CHO"	15	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.120987655725	313.12817944626	0.271246178111766	0.27	313	312.778622290824	0.22137770917584	6	0.466666666666667	1.33333333333333	-1	24.0093002303154	22	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+19994492.969678	387.165573626116	671.709005556582	"C18H26O9"	"O9"	"CHO"	18	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.158297173956	387.16495888226	1.59194781138265	1.59	387	386.733261087829	0.26673891217149	6	0.5	1.44444444444444	-3	29.7044371100077	27	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100244422.659936	405.226999159025	625.841143662361	"C23H32O6"	"O6"	"CHO"	23	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.219722706865	405.22716520676	-0.410785831692737	0.41	405	404.774519071634	0.225480928365812	8	0.260869565217391	1.39130434782609	2	31.0938375965077	29	0.9	48	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+63678411.6553312	285.242386384294	749.111262209133	"C17H32O3"	"O3"	"CHO"	17	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	284.235109932134	285.24242133986	-0.122981168610347	0.12	285	284.92388218742	0.0761178125798097	2	0.176470588235294	1.88235294117647	-1	21.8642419144385	20	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+296657495.913035	287.1061535	205.01103129315	"C20H14O2"	"O2"	"CHO"	20	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.09887704784	287.10665614336	-1.7568868678561	1.76	287	286.785568204115	0.214431795885332	14	0.1	0.7	12	22.0076445916308	22	1	42	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100839859.3	347.186155724485	570.000706326422	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.178879272325	347.18530039306	2.47077876843481	2.47	347	346.798484561386	0.201515438614024	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+182471087.501807	389.216169966051	376.938757837776	"C19H32O8"	"O8"	"CHO"	19	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.208893513891	389.21699445136	-2.12381870375921	2.12	389	388.781567713571	0.218432286428822	4	0.421052631578947	1.68421052631579	-4	29.8622859999385	27	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+439889384.048066	389.216171560415	480.762056517527	"C19H32O8"	"O8"	"CHO"	19	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.208895108255	389.21699445136	-2.11971172063763	2.12	389	388.781569306155	0.218430693845164	4	0.421052631578947	1.68421052631579	-4	29.8622859999385	27	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+393795305.099982	287.185161414748	652.805244441464	"C15H26O5"	"O5"	"CHO"	15	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.177884962588	287.18530039306	-0.485636100172797	0.49	287	286.864487897919	0.135512102080781	3	0.333333333333333	1.73333333333333	-2	22.0136941493	20	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+65159554.4889356	461.254260642514	701.634794390176	"C26H36O7"	"O7"	"CHO"	26	36	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	460.246984190354	461.25337995666	1.9135070609788	1.91	461	460.739220014426	0.260779985573606	9	0.269230769230769	1.38461538461538	2	35.4035464234231	33	0.9	54	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+72555454.7573709	389.267699617064	755.576135852524	"C24H36O4"	"O4"	"CHO"	24	36	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.260423164904	389.26863608976	-2.41197052312261	2.41	389	388.833039826116	0.16696017388449	7	0.166666666666667	1.5	3	29.8662584336615	28	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+117031422.667616	349.221171421555	527.042657536609	"C17H32O7"	"O7"	"CHO"	17	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.213894969395	349.22207982906	-2.60876294157388	2.61	349	348.831227941749	0.168772058251307	2	0.411764705882353	1.88235294117647	-5	26.7857541059154	24	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46342665.2913125	391.159539171341	456.968384070374	"C17H26O10"	"O10"	"CHO"	17	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.152262719181	391.15987350456	-0.856930103756844	0.86	391	390.722766935445	0.277233064554707	5	0.588235294117647	1.52941176470588	-5	30.0117382348	27	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+81016541.3588408	363.164969124192	341.856174	"C16H26O9"	"O9"	"CHO"	16	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.157692672032	363.16495888226	0.0282803106293501	0.03	363	362.759455875303	0.24054412469718	4	0.5625	1.625	-5	27.8582832638538	25	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+154969918.301191	363.201194044798	552.132759317953	"C17H30O8"	"O8"	"CHO"	17	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.193917592638	363.20134438756	-0.415089140559947	0.42	363	362.795640346839	0.204359653161134	3	0.470588235294118	1.76470588235294	-5	27.8610821488769	25	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+87274320.0453515	317.159563126499	414.946979590079	"C15H24O7"	"O7"	"CHO"	15	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.152286674339	317.15947957386	0.264279723834504	0.26	317	316.80541992494	0.194580075059946	4	0.466666666666667	1.6	-3	24.3194002401308	22	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+91187303.6660579	391.284150943424	959.524657137378	"C24H38O4"	"O4"	"CHO"	24	38	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.276874491264	391.28428615356	-0.346446701969797	0.35	391	390.84723956491	0.152760435089647	6	0.166666666666667	1.58333333333333	2	30.0213084385692	28	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79201627.83209	393.175031462207	416.238379146144	"C17H28O10"	"O10"	"CHO"	17	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	392.167755010047	393.17552356836	-1.25483583656805	1.25	393	392.736008709614	0.26399129038623	4	0.588235294117647	1.64705882352941	-6	30.1667882397077	27	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+87007847.15	291.179404224032	399.958236683969	"C14H26O6"	"O6"	"CHO"	14	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.172127771872	291.18021501536	-2.79417370029456	2.79	291	290.854270699999	0.145729300000539	2	0.428571428571429	1.85714285714286	-4	22.3209952740923	20	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+47956517.2200772	291.179405415394	502.797118651757	"C14H26O6"	"O6"	"CHO"	14	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.172128963234	291.18021501536	-2.79006798092049	2.79	291	290.854271890031	0.145728109968786	2	0.428571428571429	1.85714285714286	-4	22.3209952740923	20	0.9	30	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40395156.2043273	291.231420762583	686.974925372166	"C19H30O2"	"O2"	"CHO"	19	30	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	290.224144310423	291.23185665376	-1.50191217908893	1.5	291	290.906229156419	0.093770843581126	5	0.105263157894737	1.57894736842105	3	22.3249677078154	21	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+113570826.893987	293.101764263631	385.68658416586	"C15H16O6"	"O6"	"CHO"	15	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	292.094487811471	293.10196469636	-0.686191411715069	0.69	293	292.774484215205	0.225515784795277	8	0.4	1.06666666666667	2	22.4688221726308	21	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52797386.7866564	415.231729	732.4912798	"C21H34O8"	"O8"	"CHO"	21	34	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	414.22445254784	415.23264451516	-2.21019100734898	2.21	415	414.768077541891	0.231922458109352	5	0.380952380952381	1.61904761904762	-3	31.863489851	29	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+187943279.485802	475.158462093816	465.679009252778	"C24H26O10"	"O10"	"CHO"	24	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	474.151185641656	475.15987350456	-2.97671035465098	2.98	475	474.627895910174	0.37210408982645	12	0.416666666666667	1.08333333333333	2	36.4732766963385	34	0.9	50	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+124607407.063774	319.138668138025	597.899913788873	"C14H22O8"	"O8"	"CHO"	14	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.131391685865	319.13874413236	-0.238877196496738	0.24	319	318.78231505013	0.217684949870318	4	0.571428571428571	1.57142857142857	-4	24.4716513600154	22	0.9	30	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+338683412.3	475.252989006723	555.218476808722	"C23H38O10"	"O10"	"CHO"	23	38	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	474.245712554563	475.25377388736	-1.65500839804245	1.66	475	474.722317273485	0.277682726514911	5	0.434782608695652	1.65217391304348	-5	36.4804998027077	33	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+145863853.52124	445.205951584873	506.792449620506	"C21H32O10"	"O10"	"CHO"	21	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.198675132713	445.20682369596	-1.96333563296878	1.96	445	444.708830642048	0.291169357951901	6	0.476190476190476	1.52380952380952	-4	34.1691959418308	31	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+54150998.5761738	477.264156713207	627.8149972	"C30H36O5"	"O5"	"CHO"	30	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	476.256880261047	477.26355071206	1.27242497098615	1.27	477	476.731239292141	0.26876070785886	13	0.166666666666667	1.2	8	36.6350980199923	35	1	62	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+63613921.39	343.1392698	421.807094942433	"C16H22O8"	"O8"	"CHO"	16	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.13199334784	343.13874413236	1.53644689843183	1.54	343	342.756117425878	0.243882574122495	6	0.5	1.375	-2	26.3178052061692	24	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+56626978.6924683	367.210432662759	502.229690938331	"C20H30O6"	"O6"	"CHO"	20	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	366.203156210599	367.21151514296	-2.9559554107508	2.96	367	366.800402213142	0.199597786857851	6	0.3	1.5	0	28.1695568223692	26	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36944895.7384413	303.179389287395	551.138931683107	"C15H26O6"	"O6"	"CHO"	15	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.172112835235	303.18021501536	-2.73264119985139	2.73	303	302.840856472838	0.159143527162144	3	0.4	1.73333333333333	-3	23.2440721971692	21	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+133549548.968376	321.133270127935	600.7851595	"C17H20O6"	"O6"	"CHO"	17	20	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	320.125993675775	321.13326482396	0.0165683984000277	0.02	321	320.774689849639	0.225310150361224	8	0.352941176470588	1.17647058823529	2	24.6250760286	23	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+190287258.055721	399.272966232984	608.910988866428	"C22H38O6"	"O6"	"CHO"	22	38	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.265689780824	399.27411539816	-2.88542348861363	2.89	399	398.827134471949	0.17286552805075	4	0.272727272727273	1.72727272727273	-2	30.6359106881538	28	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+182508696.061768	481.2428022	553.715133724983	"C25H36O9"	"O9"	"CHO"	25	36	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	480.23552574784	481.24320920126	-0.847503439684491	0.85	481	480.70544218784	0.294557812159951	8	0.36	1.44	-1	36.9412255960846	34	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39312805.54	357.191078835296	713.991286040034	"C18H28O7"	"O7"	"CHO"	18	28	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.183802383136	357.19077970146	0.839829981178803	0.84	357	356.792236085672	0.207763914328325	5	0.388888888888889	1.55555555555556	-2	27.3987310191769	25	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+80943151.9241955	297.096777873609	401.423138306218	"C14H16O7"	"O7"	"CHO"	14	16	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.089501421449	297.09687931866	-0.342616170062967	0.34	297	296.765036957296	0.234963042703953	7	0.5	1.14285714285714	0	22.7761232974231	21	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+106318648.873581	401.216734788988	700.929372046688	"C20H32O8"	"O8"	"CHO"	20	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.209458336828	401.21699445136	-0.648816180110935	0.65	401	400.768732598619	0.231267401381217	5	0.4	1.6	-3	30.7853629230154	28	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+136472445.084707	401.25232657584	504.278939117413	"C21H36O7"	"O7"	"CHO"	21	36	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.24505012368	401.25337995666	-2.63183971822829	2.63	401	400.804284643364	0.195715356636356	4	0.333333333333333	1.71428571428571	-3	30.7881618080385	28	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+390714472.170174	403.195373883544	366.743322132985	"C19H30O9"	"O9"	"CHO"	19	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	402.188097431384	403.19625900986	-2.20077700374462	2.2	403	402.745162327085	0.254837672914505	5	0.473684210526316	1.57894736842105	-4	30.9376140429	28	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+331938011.127053	323.205878222536	547.67045804277	"C15H30O7"	"O7"	"CHO"	15	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.198601770376	323.20642976526	-1.71180979981446	1.71	323	322.844983651526	0.155016348474476	1	0.466666666666667	2	-6	24.7845502548538	22	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+150254622.324098	405.117557643625	526.160117609672	"C20H20O9"	"O9"	"CHO"	20	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.110281191465	405.11800869086	-1.11614887320756	1.12	405	404.665199759608	0.334800240392042	11	0.45	1	2	31.0854409414385	29	0.9	42	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+57119850.849138	405.174458892601	366.377942312432	"C18H28O10"	"O10"	"CHO"	18	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.167182440441	405.17552356836	-2.63424593876459	2.63	405	404.722037472141	0.277962527858904	5	0.555555555555556	1.55555555555556	-5	31.0898651627846	28	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58557563.408792	427.122512631448	380.113689434319	"C19H22O11"	"O11"	"CHO"	19	22	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.115236179288	427.12348799926	-2.28897661750039	2.29	427	426.645583818108	0.354416181891565	9	0.578947368421053	1.15789473684211	-2	32.7781701190077	30	0.9	40	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+243240488.427689	297.206071467924	695.35502263217	"C17H28O4"	"O4"	"CHO"	17	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.198795015764	297.20603583456	0.120302190983355	0.12	297	296.874208513407	0.125791486592789	4	0.235294117647059	1.64705882352941	0	22.7845199524923	21	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34614863.0460611	297.241827977623	757.048835394514	"C18H32O3"	"O3"	"CHO"	18	32	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.234551525463	297.24242133986	-2.00301495516188	2	297	296.909925097068	0.0900749029319172	3	0.166666666666667	1.77777777777778	0	22.7873188375154	21	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52518307.9459649	491.28413541346	756.175605110329	"C24H42O10"	"O10"	"CHO"	24	42	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.2768589613	491.28507401496	-1.91443157638775	1.91	491	490.735563158929	0.264436841071301	4	0.416666666666667	1.75	-6	37.7136767356	34	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+82406287.8747297	493.205422007142	486.370020786624	"C25H32O10"	"O10"	"CHO"	25	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	492.198145554982	493.20682369596	-2.84781409820296	2.85	493	492.654704426836	0.345295573163753	10	0.4	1.28	0	37.8615036341385	35	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+85305596.5712013	493.206890820874	414.205857094437	"C25H32O10"	"O10"	"CHO"	25	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	492.199614368714	493.20682369596	0.136377420914572	0.14	493	492.656171600478	0.343828399522295	10	0.4	1.28	0	37.8615036341385	35	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+33373472.0155047	325.16402905807	548.587070877256	"C17H24O6"	"O6"	"CHO"	17	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.15675260591	325.16456495156	-1.653192431402	1.65	325	324.800947998343	0.199052001656696	6	0.352941176470588	1.41176470588235	0	24.9351760384154	23	0.9	36	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100361000.933728	495.294759651395	547.857144204317	"C27H42O8"	"O8"	"CHO"	27	42	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	494.287483199235	495.29524477036	-0.981451041128317	0.98	495	494.74170909801	0.258290901989596	7	0.296296296296296	1.55555555555556	-1	38.0221514090923	35	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32460416.1209947	495.29476249602	735.576324970442	"C27H42O8"	"O8"	"CHO"	27	42	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	494.28748604386	495.29524477036	-0.975696034458519	0.98	495	494.741711939459	0.258288060540963	7	0.296296296296296	1.55555555555556	-1	38.0221514090923	35	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185861972.792419	495.330264255328	453.86473923413	"C28H46O7"	"O7"	"CHO"	28	46	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	494.322987803168	495.33163027566	-2.76341656295205	2.76	495	494.777174057186	0.222825942814495	6	0.25	1.64285714285714	-1	38.0249502941154	35	0.9	58	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+295862489.021964	411.149591256616	428.377022754123	"C16H26O12"	"O12"	"CHO"	16	26	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	410.142314804456	411.14970274916	-0.27183867633433	0.27	411	410.690497949979	0.309502050020967	4	0.75	1.625	-8	31.5494174074615	28	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+57595619.0838362	377.093673051125	181.050367952247	"C11H20O14"	"O14"	"CHO"	11	20	14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.086396598965	377.09258180236	2.9015906315412	2.9	377	376.672606886998	0.327393113002302	2	1.27272727272727	1.81818181818182	-12	28.9296388730923	25	0.9	24	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+50862179.0014252	315.252136121319	789.019972115281	"C18H34O4"	"O4"	"CHO"	18	34	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	314.244859669159	315.25298602596	-2.70459361506848	2.7	315	314.900122769794	0.0998772302058342	2	0.222222222222222	1.88888888888889	-2	24.1727468902923	22	0.9	38	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+29723974.2244966	349.23781288152	691.368366589972	"C21H32O4"	"O4"	"CHO"	21	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.23053642936	349.23733596216	1.36955065708166	1.37	349	348.847850819711	0.1521491802892	6	0.19047619047619	1.52380952380952	2	26.7869276546154	25	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40896153.9837994	363.216055246917	497.096593823017	"C21H30O5"	"O5"	"CHO"	21	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.208778794757	363.21660052066	-1.50541283072955	1.51	363	362.810484954807	0.189515045193218	7	0.238095238095238	1.42857142857143	2	27.8622556975769	26	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+67589660.09	363.216055919457	574.411124963564	"C21H30O5"	"O5"	"CHO"	21	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.208779467297	363.21660052066	-1.50355605347341	1.5	363	362.810485626596	0.189514373404165	7	0.238095238095238	1.42857142857143	2	27.8622556975769	26	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40086407.7	413.289060226891	679.963315890054	"C23H40O6"	"O6"	"CHO"	23	40	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.281783774731	413.28976546196	-1.71056567803959	1.71	413	412.827577970089	0.172422029911274	4	0.260869565217391	1.73913043478261	-2	31.7140376161385	29	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+46040200.17	327.252015016946	658.095065550794	"C19H34O4"	"O4"	"CHO"	19	34	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.244738564786	327.25298602596	-2.97632083897008	2.98	327	326.886602493444	0.1133975065556	3	0.210526315789474	1.78947368421053	-1	25.0958238133692	23	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+78540133.0292901	329.04517009725	269.61610842653	"C20H8O5"	"O5"	"CHO"	20	8	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.03789364509	329.04444981886	2.19571703122261	2.2	329	328.677755320766	0.32224467923362	17	0.25	0.4	12	25.2336287205154	25	1	42	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+70944135.2838794	329.086022088275	265.629257953111	"C14H16O9"	"O9"	"CHO"	14	16	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.078745636115	329.08670856326	-2.09240919789361	2.09	329	328.718561696093	0.281438303906725	7	0.642857142857143	1.14285714285714	-2	25.2368793931615	23	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+29240036.8725875	319.065234654476	197.811833210515	"C12H14O10"	"O10"	"CHO"	12	14	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.057958202316	319.06597312176	-2.32180099540967	2.32	319	318.708963563064	0.291036436935599	6	0.833333333333333	1.16666666666667	-4	24.4660535899692	22	0.9	26	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+95078086.23782	329.15893578973	434.437210016758	"C16H24O7"	"O7"	"CHO"	16	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	328.15165933757	329.15947957386	-1.65711223615308	1.66	329	328.791393981458	0.208606018542184	5	0.4375	1.5	-2	25.2424771632077	23	0.9	34	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+284292788.823409	355.210943064153	675.512969882082	"C19H30O6"	"O6"	"CHO"	19	30	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.203666611993	355.21151514296	-1.61511260592733	1.62	355	354.81431135182	0.185688648179564	5	0.315789473684211	1.57894736842105	-1	27.2464798992923	25	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+29614342.3405306	319.174630057078	500.183694102287	"C15H26O7"	"O7"	"CHO"	15	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.167353604918	319.17512963766	-1.57018178124012	1.57	319	318.818236813783	0.181763186217438	3	0.466666666666667	1.73333333333333	-4	24.4744502450385	22	0.9	32	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+429590390.378152	357.060661628738	220.05498160461	"C18H12O8"	"O8"	"CHO"	18	12	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.053385176578	357.06049381336	0.471320832753853	0.47	357	356.661964504132	0.338035495868439	13	0.444444444444444	0.666666666666667	5	27.3887090277846	26	0.9	38	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+308005120.473694	303.100771505425	319.592363389427	"C20H14O3"	"O3"	"CHO"	20	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	302.093495053265	303.10157076566	-2.64573798538009	2.65	303	302.762326476186	0.237673523814465	14	0.15	0.7	11	23.2380226395	23	1	42	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+214471518.584747	475.218232576265	250.541709044962	"C22H34O11"	"O11"	"CHO"	22	34	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	474.210956124105	475.21738838206	1.78020814175438	1.78	475	474.687599652368	0.312400347632149	6	0.5	1.54545454545455	-5	36.4777009176846	33	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39143734.9735938	343.139270488266	475.726159211369	"C16H22O8"	"O8"	"CHO"	16	22	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	342.131994036106	343.13874413236	1.53845859252929	1.54	343	342.756118113375	0.243881886625047	6	0.5	1.375	-2	26.3178052061692	24	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35273875.6106678	305.123996515184	269.976599279106	"C13H20O8"	"O8"	"CHO"	13	20	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.116720063024	305.12309406856	2.96743508144166	2.97	305	304.783292334824	0.216707665176045	4	0.615384615384615	1.53846153846154	-4	23.3935244320308	21	0.9	28	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100573690.941214	369.080570529955	349.516992272572	"C16H16O10"	"O10"	"CHO"	16	16	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.073294077795	369.08162318556	-2.85990758332166	2.86	369	368.668451867689	0.331548132311354	9	0.625	1	-1	28.3134112871846	26	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+74449513.4572079	419.350763475007	1143.21590497992	"C27H46O3"	"O3"	"CHO"	27	46	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.343487022847	419.35197178646	-2.88832380672387	2.89	419	418.882512666205	0.117487333794884	5	0.111111111111111	1.7037037037037	2	32.1803611795615	30	0.9	56	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+259227215.371387	429.117121891048	285.741841936173	"C22H20O9"	"O9"	"CHO"	22	20	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	428.109845438888	429.11800869086	-2.07143054862239	2.07	429	428.63796587919	0.362034120809824	13	0.409090909090909	0.909090909090909	4	32.9315947875923	31	0.9	46	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32633569.620638	369.154800312064	612.407069840937	"C18H24O8"	"O8"	"CHO"	18	24	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	368.147523859904	369.15439419616	1.1031336018654	1.1	369	368.74259876416	0.257401235840234	7	0.444444444444444	1.33333333333333	-1	28.3190090572308	26	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+242880441.895195	357.22731608727	668.748136523074	"C19H32O6"	"O6"	"CHO"	19	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.22003963511	357.22716520676	0.423559859767758	0.42	357	356.828432874806	0.171567125193633	4	0.315789473684211	1.68421052631579	-2	27.4015299042	25	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+35986674.4299451	421.222660577169	624.011111647018	"C23H32O7"	"O7"	"CHO"	23	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	420.215384125009	421.22207982906	1.38202486384296	1.38	421	420.75231959134	0.247680408659903	8	0.304347826086957	1.39130434782609	1	32.3242156443769	30	0.9	48	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+210876645.551131	423.221597268717	365.589412302709	"C19H34O10"	"O10"	"CHO"	19	34	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	422.214320816557	423.22247375976	-2.07593868740392	2.08	423	422.749024252321	0.250975747679377	3	0.526315789473684	1.78947368421053	-7	32.4780921005846	29	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30923947.1620254	425.144207730325	251.658211086302	"C20H24O10"	"O10"	"CHO"	20	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	424.136931278165	425.14422344076	-0.0370409504051179	0.04	425	424.669487909911	0.330512090088632	9	0.5	1.2	-1	32.6259189991231	30	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23742583.9868129	453.207050530091	680.029439687053	"C30H28O4"	"O4"	"CHO"	30	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	452.199774077931	453.20603583456	2.24390985838285	2.24	453	452.700995488705	0.299004511294584	17	0.133333333333333	0.933333333333333	13	34.7845199524923	34	1	62	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38635978.2710286	313.092577089123	438.014775383973	"C14H16O8"	"O8"	"CHO"	14	16	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.085300636963	313.09179394096	2.50940419625908	2.51	313	312.742975120506	0.257024879493883	7	0.571428571428571	1.14285714285714	-1	24.0065013452923	22	0.9	30	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+2866614638.10936	347.169662029247	525.301262496472	"C16H26O8"	"O8"	"CHO"	16	26	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.162385577087	347.17004425996	-1.10419481990682	1.1	347	346.782009283155	0.217990716844554	4	0.5	1.625	-4	26.6279052159846	24	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+176224154.038383	455.191820302786	276.053125694939	"C22H30O10"	"O10"	"CHO"	22	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	454.184543850626	455.19117363216	1.42380588408967	1.42	455	454.683549049741	0.316450950258911	8	0.454545454545455	1.36363636363636	-2	34.93722286	32	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+64145286.061469	317.195190050743	511.290437867449	"C16H28O6"	"O6"	"CHO"	16	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.187913598583	317.19586507916	-2.13489633208909	2.13	317	316.841007067842	0.158992932157844	3	0.375	1.75	-3	24.3221991251538	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+162142340.697144	427.231514985323	619.712805409946	"C22H34O8"	"O8"	"CHO"	22	34	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.224238533163	427.23264451516	-2.65008353567928	2.65	427	426.754464458981	0.245535541018683	6	0.363636363636364	1.54545454545455	-2	32.7865667740769	30	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+34595153.0938893	427.268252024474	641.3649827	"C23H38O7"	"O7"	"CHO"	23	38	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.260975572314	427.26903002046	-1.82516352787356	1.83	427	426.791160477226	0.208839522773758	5	0.304347826086957	1.65217391304348	-2	32.7893656591	30	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+100517568.736948	317.195948120701	488.816631466851	"C16H28O6"	"O6"	"CHO"	16	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.188671668541	317.19586507916	0.262632878589794	0.26	317	316.841764291332	0.158235708667519	3	0.375	1.75	-3	24.3221991251538	22	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28188694.0424859	429.247175603522	615.939768413852	"C22H36O8"	"O8"	"CHO"	22	36	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	428.239899151362	429.24829457896	-2.61296399563221	2.61	429	428.767874372527	0.23212562747301	5	0.363636363636364	1.63636363636364	-3	32.9416167789846	30	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+89769290.3862443	305.195533200865	605.508612508463	"C15H28O6"	"O6"	"CHO"	15	28	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.188256748705	305.19586507916	-1.09102928088623	1.09	305	304.854749142003	0.145250857997326	2	0.4	1.86666666666667	-4	23.3991222020769	21	0.9	32	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59228223.6524961	431.190611176672	383.319783016533	"C20H30O10"	"O10"	"CHO"	20	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.183334724512	431.19117363216	-1.30747856232739	1.31	431	430.709139888154	0.290860111845859	6	0.5	1.5	-4	33.0910690138462	30	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+200220556.786759	431.190612941439	474.452095459263	"C20H30O10"	"O10"	"CHO"	20	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.183336489279	431.19117363216	-1.30337619681113	1.3	431	430.709141650951	0.290858349049415	6	0.5	1.5	-4	33.0910690138462	30	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+170770239.526967	431.226661791359	607.215329482923	"C21H34O9"	"O9"	"CHO"	21	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.219385339199	431.22755913746	-2.08578723223078	2.09	431	430.745150248403	0.254849751597305	5	0.428571428571429	1.61904761904762	-4	33.0938678988692	30	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+22013112.2118084	339.106580480059	327.420339850909	"C16H18O8"	"O8"	"CHO"	16	18	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.099304027899	339.10744400476	-2.55405642873525	2.55	339	338.727931042858	0.272068957142494	8	0.5	1.125	0	26.0077051963538	24	0.9	34	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+209692788.969247	465.249295415341	643.653286430642	"C25H36O8"	"O8"	"CHO"	25	36	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	464.242018963181	465.24829457896	2.15585048346023	2.16	465	464.729793895736	0.270206104263877	8	0.32	1.44	0	35.7108475482154	33	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+121944899.124135	497.238159226791	499.248413991038	"C25H36O10"	"O10"	"CHO"	25	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	496.230882774631	497.23812382356	0.0713442720397286	0.07	497	496.682938656079	0.317061343920955	8	0.4	1.44	-2	38.1716036439538	35	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+44243604.0536408	475.195989091064	322.257402666297	"C25H30O9"	"O9"	"CHO"	25	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	474.188712638904	475.19625900986	-0.569222313393415	0.57	475	474.665381004441	0.334618995558856	11	0.36	1.2	2	36.4760755813615	34	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52303812.5565681	325.070417593142	520.893027979179	"C18H12O6"	"O6"	"CHO"	18	12	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.063141140982	325.07066456876	-0.762121903509029	0.76	325	324.707441060813	0.292558939186733	13	0.333333333333333	0.666666666666667	7	24.9279529320462	24	1	38	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+367749132.137514	469.243345845043	517.606786549861	"C24H36O9"	"O9"	"CHO"	24	36	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	468.236069392883	469.24320920126	0.291826691639089	0.29	469	468.719384533047	0.280615466952895	7	0.375	1.5	-2	36.0181486730077	33	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+113808329.61477	471.1848752	512.472131326782	"C22H30O11"	"O11"	"CHO"	22	30	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	470.17759874784	471.18608825446	-2.57999203537532	2.58	471	470.658745958982	0.341254041018431	8	0.5	1.36363636363636	-3	36.1676009078692	33	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+223658659.720138	447.09139876759	415.664281683558	"C21H18O11"	"O11"	"CHO"	21	18	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	446.08412231543	447.09218787166	-1.76895798455237	1.77	447	446.592172517597	0.407827482402865	13	0.523809523809524	0.857142857142857	2	34.3142239553462	32	0.9	44	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+58712688.8564936	437.236933767701	555.738575794214	"C20H36O10"	"O10"	"CHO"	20	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	436.229657315541	437.23812382356	-2.72804895081931	2.73	437	436.748711101363	0.25128889863737	3	0.5	1.8	-7	33.5562190285692	30	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+239934364.335943	437.238162319587	665.100468516562	"C20H36O10"	"O10"	"CHO"	20	36	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	436.230885867427	437.23812382356	0.0882469084756837	0.09	437	436.749938281437	0.250061718563359	3	0.5	1.8	-7	33.5562190285692	30	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+78796986.19	341.2679074	705.902855496979	"C20H36O4"	"O4"	"CHO"	20	36	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.26063094784	341.26863608976	-2.14156353597865	2.14	341	340.886844605851	0.113155394148691	3	0.2	1.8	-1	26.1739507413538	24	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+72312819.1198315	355.175910412071	611.326494	"C18H26O7"	"O7"	"CHO"	18	26	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.168633959911	355.17512963766	2.20452726789633	2.2	355	354.779317817511	0.220682182489327	6	0.388888888888889	1.44444444444444	-1	27.2436810142692	25	0.9	38	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45716375.2765709	393.262926721809	653.837283078889	"C23H36O5"	"O5"	"CHO"	23	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	392.255650269649	393.26355071206	-1.59077441087969	1.59	393	392.823805824584	0.176194175416356	6	0.217391304347826	1.56521739130435	1	30.1735595584538	28	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+362512968.698093	355.2468814	707.535399	"C20H34O5"	"O5"	"CHO"	20	34	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.23960494784	355.24790064826	-2.87728488216105	2.88	355	354.850209558601	0.149790441399432	4	0.25	1.7	-1	27.2492787843154	25	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+86859399.8559147	355.262156982465	698.565919844877	"C24H34O2"	"O2"	"CHO"	24	34	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	354.254880530305	355.26315678136	-2.82225863342334	2.82	355	354.865468084214	0.134531915786283	8	0.0833333333333333	1.41666666666667	6	27.2504523330154	26	1	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+154767265.090762	445.243769673943	413.50348345992	"C22H36O9"	"O9"	"CHO"	22	36	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.236493221783	445.24320920126	1.2616538523965	1.26	445	444.746606503102	0.253393496897957	5	0.409090909090909	1.63636363636364	-4	34.1719948268538	31	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+185666090.711719	489.233159021977	259.83519995575	"C23H36O11"	"O11"	"CHO"	23	36	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	488.225882569817	489.23303844586	0.24696789194788	0.25	489	488.686876906007	0.313123093992999	6	0.478260869565217	1.56521739130435	-5	37.5558278456692	34	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+99714586.9799142	345.2626947225	493.411436871986	"C19H36O5"	"O5"	"CHO"	19	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.25541827034	345.26355071206	-2.48649553365583	2.49	345	344.877171313139	0.122828686860771	2	0.263157894736842	1.89473684210526	-3	26.4812518661461	24	0.9	40	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20237778.0565095	325.090866276771	423.007399915154	"C15H16O8"	"O8"	"CHO"	15	16	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.083589824611	325.09179394096	-2.86242259124015	2.86	325	324.727866911259	0.272133088740532	8	0.533333333333333	1.06666666666667	0	24.9295782683692	23	0.9	32	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+247786456.210708	399.200174337473	621.187494172124	"C20H30O8"	"O8"	"CHO"	20	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	398.192897885313	399.20134438756	-2.9384001905252	2.94	399	398.754423856519	0.245576143480889	6	0.4	1.5	-2	30.6303129181077	28	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+30399054.0064401	347.1852896	765.380535554909	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.17801314784	347.18530039306	-0.0311777744917806	0.03	347	346.797619404023	0.202380595976706	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+43806205.673003	389.106970579626	357.842218786833	"C16H20O11"	"O11"	"CHO"	16	20	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.099694127466	389.10783793546	-2.23487894244579	2.23	389	388.672490260157	0.327509739843379	7	0.6875	1.25	-4	29.8538893448692	27	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+177394412.931401	479.247284515764	532.673064340043	"C22H38O11"	"O11"	"CHO"	22	38	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	478.240008063604	479.24868850966	-2.93575165667854	2.94	479	478.712152716477	0.287847283522638	4	0.5	1.72727272727273	-7	36.7878009275	33	0.9	46	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+57039232.48	347.206122573127	568.626579332248	"C17H30O7"	"O7"	"CHO"	17	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.198846120967	347.20642976526	-0.887328587126523	0.89	347	346.818429114866	0.181570885133567	3	0.411764705882353	1.76470588235294	-4	26.6307041010077	24	0.9	36	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+180126372.423406	323.090507435166	270.515507155958	"C19H14O5"	"O5"	"CHO"	19	14	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.083230983006	323.09140001026	-2.77125602367144	2.77	323	322.729741688207	0.270258311792645	13	0.263157894736842	0.736842105263158	8	24.7757018121615	24	1	40	0.3	0	0	0	0	0	0	0	0	0	"Unambiguous"
+28701234.6470017	323.148186729244	553.65884771082	"C17H22O6"	"O6"	"CHO"	17	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.140910277084	323.14891488776	-2.26037269018938	2.26	323	322.78735657707	0.212643422929659	7	0.352941176470588	1.29411764705882	1	24.7801260335077	23	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21512821.0065846	385.206195894124	359.696166505138	"C16H32O10"	"O10"	"CHO"	16	32	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.198919441964	385.20682369596	-1.63405414287835	1.63	385	384.776071214516	0.223928785483679	1	0.625	2	-9	29.5538113264462	26	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+252333161.576034	489.176534443663	405.165210681627	"C25H28O10"	"O10"	"CHO"	25	28	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	488.169257991503	489.17552356836	2.07074756655367	2.07	489	488.630315555203	0.369684444796974	12	0.4	1.12	2	37.5514036243231	35	0.9	52	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+200517734.359424	385.221417117398	623.508988120007	"C20H32O7"	"O7"	"CHO"	20	32	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.214140665238	385.22207982906	-1.72484974345898	1.72	385	384.791275441636	0.208724558363542	5	0.35	1.6	-2	29.5549848751462	27	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+73273556.09	349.2369357	571.240075125326	"C21H32O4"	"O4"	"CHO"	21	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.22965924784	349.23733596216	-1.14942007194269	1.15	349	348.84697461766	0.153025382340445	6	0.19047619047619	1.52380952380952	2	26.7869276546154	25	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+384059413.267091	363.164041941685	438.162794940905	"C16H26O9"	"O9"	"CHO"	16	26	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.156765489525	363.16495888226	-2.53188856957992	2.53	363	362.758529728096	0.241470271903893	4	0.5625	1.625	-5	27.8582832638538	25	0.9	34	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+113403084.305227	391.195877648394	569.609680080601	"C18H30O9"	"O9"	"CHO"	18	30	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	390.188601196234	391.19625900986	-0.977377260197686	0.98	391	390.75906483663	0.240935163369841	4	0.5	1.66666666666667	-5	30.0145371198231	27	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+127662668.98437	325.127837292335	420.903240543658	"C16H20O7"	"O7"	"CHO"	16	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.120560840175	325.12817944626	-1.05563782837102	1.06	325	324.764796644657	0.235203355342776	7	0.4375	1.25	0	24.9323771533923	23	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+371894339.228317	351.215832566499	639.7126149	"C20H30O5"	"O5"	"CHO"	20	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	350.208556114339	351.21660052066	-2.19284808322963	2.19	351	350.823661830239	0.176338169761266	6	0.25	1.5	1	26.9391787745	25	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+57151594.4452635	363.216055919515	537.968656974198	"C21H30O5"	"O5"	"CHO"	21	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.208779467355	363.21660052066	-1.50355589339895	1.5	363	362.810485626654	0.189514373346242	7	0.238095238095238	1.42857142857143	2	27.8622556975769	26	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45175181.244148	459.217860648932	668.313431835502	"C29H30O5"	"O5"	"CHO"	29	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	458.210584196772	459.21660052066	2.75010729884677	2.75	459	458.70509388327	0.294906116730374	15	0.172413793103448	1.03448275862069	10	35.2468710821923	34	1	60	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39599211.7401061	317.231582346442	584.49623007505	"C17H32O5"	"O5"	"CHO"	17	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.224305894282	317.23225058446	-2.11317727799472	2.11	317	316.877358727579	0.122641272421333	2	0.294117647058824	1.88235294117647	-3	24.3249980101769	22	0.9	36	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+53921600.1095905	337.200762223553	709.006795269296	"C19H28O5"	"O5"	"CHO"	19	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	336.193485771393	337.20095045686	-0.559895759252138	0.56	337	336.824240840043	0.175759159957465	6	0.263157894736842	1.47368421052632	1	25.8610518465154	24	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+61030832.6324344	389.216173	632.124081379042	"C19H32O8"	"O8"	"CHO"	19	32	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.20889654784	389.21699445136	-2.1160034385431	2.12	389	388.781570744132	0.218429255867534	4	0.421052631578947	1.68421052631579	-4	29.8622859999385	27	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+59982004.244838	463.231981430094	626.611287819273	"C25H34O8"	"O8"	"CHO"	25	34	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	462.224704977934	463.23264451516	-1.43455133162741	1.43	463	462.714732461307	0.28526753869312	9	0.32	1.36	1	35.5557975433077	33	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+36168002.5894327	361.257541412133	630.174452369937	"C19H36O6"	"O6"	"CHO"	19	36	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.250264959973	361.25846533436	-2.56466772371481	2.56	361	360.854158014067	0.145841985932748	2	0.315789473684211	1.89473684210526	-4	27.7116299140154	25	0.9	40	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38414450.717917	325.236429457353	659.856293752094	"C19H32O4"	"O4"	"CHO"	19	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.229153005193	325.23733596216	-2.79587692409351	2.8	325	324.873267554694	0.126732445306402	4	0.210526315789474	1.68421052631579	0	24.9407738084615	23	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+50777822.205204	397.18496843142	574.844171397523	"C20H28O8"	"O8"	"CHO"	20	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.17769197926	397.18569432376	-1.8322393075747	1.83	397	396.741468147384	0.258531852616215	7	0.4	1.4	-1	30.4752629132	28	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+53598390.3584446	397.163719653328	126.124458147576	"C23H24O6"	"O6"	"CHO"	23	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.156443201168	397.16456495156	-2.13374853935455	2.13	397	396.720243095867	0.279756904132796	12	0.260869565217391	1.04347826086957	6	30.4736375768769	29	1	48	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21005951.1448888	387.12774950533	451.521696957375	"C17H22O10"	"O10"	"CHO"	17	22	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.12047305317	387.12857337696	-2.13371651470279	2.13	387	386.695479201794	0.30452079820634	7	0.588235294117647	1.29411764705882	-3	29.7016382249846	27	0.9	36	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+25364281.7907845	351.2158313	490.363765186995	"C20H30O5"	"O5"	"CHO"	20	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	350.20855484784	351.21660052066	-2.19646450480994	2.2	351	350.823660565154	0.176339434846057	6	0.25	1.5	1	26.9391787745	25	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+349260974.056504	489.268017849423	637.129135429991	"C24H40O10"	"O10"	"CHO"	24	40	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	488.260741397263	489.26942395116	-2.87981731428469	2.88	489	488.721696809775	0.278303190225074	5	0.416666666666667	1.66666666666667	-5	37.5586267306923	34	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+39140023.15	325.127838551333	560.894655251	"C16H20O7"	"O7"	"CHO"	16	20	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.120562099173	325.12817944626	-1.05175347336959	1.05	325	324.764797902249	0.235202097750573	7	0.4375	1.25	0	24.9323771533923	23	0.9	34	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+51475367.3472248	317.210354399221	717.805477481859	"C20H28O3"	"O3"	"CHO"	20	28	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	316.203077947061	317.21112121226	-2.42506506880756	2.43	317	316.856154483673	0.143845516326849	7	0.15	1.4	4	24.3233726738538	23	0.9	42	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52393283.07	491.284134490824	666.933602068571	"C24H42O10"	"O10"	"CHO"	24	42	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.276858038664	491.28507401496	-1.91631344729786	1.92	491	490.735562237323	0.264437762677062	4	0.416666666666667	1.75	-6	37.7136767356	34	0.9	50	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+142643905.9	393.227346974401	598.613502542544	"C22H32O6"	"O6"	"CHO"	22	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	392.220070522241	393.22716520676	0.463432788483798	0.46	393	392.788265805839	0.211734194160556	7	0.272727272727273	1.45454545454545	1	30.1707606734308	28	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+23320690.2314763	373.272987878718	781.255642677449	"C24H36O3"	"O3"	"CHO"	24	36	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.265711426558	373.27372146746	-1.9706051871173	1.97	373	372.856187925787	0.143812074213315	7	0.125	1.5	4	28.6358803857923	27	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+107309196.49394	357.264464978148	636.256697246044	"C20H36O5"	"O5"	"CHO"	20	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	356.257188525988	357.26355071206	2.56630916509629	2.57	357	356.865540284901	0.134459715099069	3	0.25	1.8	-2	27.4043287892231	25	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+79707863.6820568	397.112746747401	464.29681253949	"C18H20O10"	"O10"	"CHO"	18	20	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.105470295241	397.11292331316	-0.445754406889588	0.45	397	396.669327106742	0.330672893257656	9	0.555555555555556	1.11111111111111	-1	30.4696651431538	28	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+132057132.194267	397.1424812	404.076878103199	"C26H20O4"	"O4"	"CHO"	26	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	396.13520474784	397.14343557936	-2.40922631605917	2.41	397	396.699028357586	0.300971642414027	17	0.153846153846154	0.769230769230769	13	30.4720122405538	30	1	54	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+38837016.6626511	485.258488261711	337.722594549089	"C21H40O12"	"O12"	"CHO"	21	40	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	484.251211809551	485.25925319576	-1.57962237442362	1.58	485	484.71664429862	0.283355701379946	2	0.571428571428571	1.9047619047619	-10	37.2501520572	33	0.9	44	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+113081048.207898	431.117327296086	247.49298824642	"C18H22O12"	"O12"	"CHO"	18	22	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	430.110050843926	431.11840262156	-2.50011705584495	2.5	431	430.635937837004	0.364062162996106	8	0.666666666666667	1.22222222222222	-4	33.0854712438	30	0.9	38	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+164676967.893588	407.190204755182	521.225247528797	"C18H30O10"	"O10"	"CHO"	18	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	406.182928303022	407.19117363216	-2.38532176140585	2.39	407	406.735532534884	0.264467465115956	4	0.555555555555556	1.66666666666667	-6	31.2449151676923	28	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+63235729.7170566	455.1553356912	412.542057431017	"C21H26O11"	"O11"	"CHO"	21	26	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	454.14805923904	455.15478812686	1.20569565107293	1.21	455	454.647105177198	0.352894822801716	9	0.523809523809524	1.23809523809524	-2	34.9344239749769	32	0.9	44	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+68646429.0655883	465.268149677628	729.836184742859	"C22H40O10"	"O10"	"CHO"	22	40	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	464.260873225468	465.26942395116	-2.7447359996614	2.74	465	464.748627105185	0.251372894814608	3	0.454545454545455	1.81818181818182	-7	35.7124728845385	32	0.9	46	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+80527655.0799489	467.228397204067	471.278114970534	"C24H34O9"	"O9"	"CHO"	24	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	466.221120751907	467.22755913746	1.79757323231274	1.8	467	466.706685801724	0.293314198275652	8	0.375	1.41666666666667	-1	35.8630986681	33	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45769326.6890002	493.278923581597	700.382164	"C27H40O8"	"O8"	"CHO"	27	40	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	492.271647129437	493.27959470656	-1.36332239925241	1.36	493	492.728123928777	0.271876071223403	8	0.296296296296296	1.48148148148148	0	37.8671014041846	35	0.9	56	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+21531882.7994248	363.21605732406	651.075543296237	"C21H30O5"	"O5"	"CHO"	21	30	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	362.2087808719	363.21660052066	-1.49967816544492	1.5	363	362.81048702963	0.189512970369606	7	0.238095238095238	1.42857142857143	2	27.8622556975769	26	0.9	44	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+189334426.6146	337.148417267114	385.823145937461	"C14H24O9"	"O9"	"CHO"	14	24	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	336.141140814954	337.14930881846	-2.65231248944874	2.65	337	336.771954332449	0.228045667550532	3	0.642857142857143	1.71428571428571	-6	25.8570794127923	23	0.9	30	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+20123496.3352387	347.186159770673	916.413537150913	"C20H26O5"	"O5"	"CHO"	20	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	346.178883318513	347.18530039306	2.4824668817021	2.48	347	346.798488603056	0.201511396943999	8	0.25	1.3	3	26.6290787646846	25	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+195349108.645953	341.232378812383	709.710553229585	"C19H32O5"	"O5"	"CHO"	19	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.225102360223	341.23225058446	0.376891423174207	0.38	341	340.851355689773	0.148644310227382	4	0.263157894736842	1.68421052631579	-1	26.1711518563308	24	0.9	40	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+45176710.36	359.097394102907	403.277372223719	"C15H18O10"	"O10"	"CHO"	15	18	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.090117650747	359.09727324936	0.337494784261608	0.34	359	358.696422744625	0.303577255375387	7	0.666666666666667	1.2	-3	27.5453843690154	25	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+67744372.5019238	487.158936326527	407.39710485226	"C25H26O10"	"O10"	"CHO"	25	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	486.151659874367	487.15987350456	-1.92774829407455	1.93	487	486.614970306149	0.385029693850981	13	0.4	1.04	3	37.3963536194154	35	0.9	52	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+74121122.1371541	375.273570098515	603.440780305108	"C20H38O6"	"O6"	"CHO"	20	38	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	374.266293646355	375.27411539816	-1.45698304728174	1.46	375	374.854536277605	0.145463722395334	2	0.3	1.9	-4	28.789756842	26	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+37759740.2752352	473.305633297866	722.679872406269	"C32H40O3"	"O3"	"CHO"	32	40	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	472.298356845706	473.30502159506	1.29516183389428	1.3	473	472.777135999409	0.222864000590505	13	0.09375	1.25	10	36.3305957802231	35	1	66	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+535202709.558973	353.231194910443	672.430895554886	"C20H32O5"	"O5"	"CHO"	20	32	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	352.223918458283	353.23225058446	-2.99716731788856	3	353	352.836773802585	0.163226197414929	5	0.25	1.6	0	27.0942287794077	25	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+168575643.515804	489.225908389191	852.683963753106	"C30H32O6"	"O6"	"CHO"	30	32	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	488.218631937031	489.22716520676	-2.57429251322993	2.57	489	488.679634369342	0.320365630657648	15	0.2	1.06666666666667	9	37.5553760580461	36	1	62	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+109564114.644101	385.257944489233	667.9186397	"C21H36O6"	"O6"	"CHO"	21	36	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.250668037073	385.25846533436	-1.35548268434155	1.36	385	384.827762026682	0.172237973318261	4	0.285714285714286	1.71428571428571	-2	29.5577837601692	27	0.9	44	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+66148841.1742378	405.263125139133	689.337965079975	"C24H36O5"	"O5"	"CHO"	24	36	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	404.255848686973	405.26355071206	-1.05273165078792	1.05	405	404.81060471315	0.189395286849901	7	0.208333333333333	1.5	2	31.0966364815308	29	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+115920692.314267	491.247600943179	392.634507506035	"C23H38O11"	"O11"	"CHO"	23	38	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.240324491019	491.24868850966	-2.21843538086164	2.22	491	490.699069483364	0.300930516636356	5	0.478260869565217	1.65217391304348	-6	37.7108778505769	34	0.9	48	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+73363417.5242883	335.2071599542	624.756559793189	"C16H30O7"	"O7"	"CHO"	16	30	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	334.19988350204	335.20642976526	2.18488687771317	2.18	335	334.832864644793	0.16713535520654	2	0.4375	1.875	-5	25.7076271779308	23	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+37054163.5	365.122178727037	479.729402624714	"C18H20O8"	"O8"	"CHO"	18	20	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	364.114902274877	365.12309406856	-2.51388096804849	2.51	365	364.71448004042	0.285519959579631	9	0.444444444444444	1.11111111111111	1	28.0089090474154	26	0.9	38	0.5	0	0	0	0	0	0	0	0	0	"Unambiguous"
+32443862.6521278	359.055391146165	221.217247724691	"C21H10O6"	"O6"	"CHO"	21	10	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.048114694005	359.05501450496	1.05192902719741	1.05	359	358.654466688759	0.345533311240672	17	0.285714285714286	0.476190476190476	11	27.5421336963692	27	1	44	0.2	0	0	0	0	0	0	0	0	0	"Unambiguous"
+107652276.59232	427.15923980238	688.693640453773	"C20H26O10"	"O10"	"CHO"	20	26	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	426.15196335022	427.15987350456	-1.48703334604017	1.49	427	426.682269979153	0.317730020846739	8	0.5	1.3	-2	32.7809690040308	30	0.9	42	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+48628426.4219432	361.23727022846	570.916794956121	"C22H32O4"	"O4"	"CHO"	22	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.2299937763	361.23733596216	-0.182477031751223	0.18	361	360.833909465379	0.166090534620992	7	0.181818181818182	1.45454545454545	3	27.7100045776923	26	0.9	46	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+170571286.296424	339.070550358991	245.864983328484	"C15H14O9"	"O9"	"CHO"	15	14	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	338.063273906831	339.07105849946	-1.50309278824662	1.5	339	338.691941153345	0.308058846655456	9	0.6	0.933333333333333	0	26.0049063113308	24	0.9	32	0.4	0	0	0	0	0	0	0	0	0	"Unambiguous"
+24648090.6055374	359.315741281198	962.470693829657	"C21H42O4"	"O4"	"CHO"	21	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	358.308464829038	359.31558628116	0.432588267352061	0.43	359	358.914526114506	0.0854738854943093	1	0.19047619047619	2	-3	27.5621776791538	25	0.9	44	1	0	0	0	0	0	0	0	0	0	"Unambiguous"
+27226575.4338705	401.201634946775	365.030308554548	"C16H32O11"	"O11"	"CHO"	16	32	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	400.194358494615	401.20173831826	-0.258303203830612	0.26	401	400.753649617025	0.246350382975436	1	0.6875	2	-10	30.7841893743154	27	0.9	34	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+55333155.5355144	335.185749376643	666.329880674098	"C19H26O5"	"O5"	"CHO"	19	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	334.178472924483	335.18530039306	1.34354430155071	1.34	335	334.811477974479	0.188522025521365	7	0.263157894736842	1.36842105263158	2	25.7060018416077	24	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+52212079.6203627	467.264991468883	535.700400405852	"C25H38O8"	"O8"	"CHO"	25	38	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	466.257715016723	467.26394464276	2.24516633030752	2.25	467	466.743239205057	0.256760794942693	7	0.32	1.52	-1	35.8658975531231	33	0.9	52	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+62909956.9370373	375.09218553491	198.974140452875	"C15H18O11"	"O11"	"CHO"	15	18	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	374.08490908275	375.09218787166	-0.00624657638209986	0.01	375	374.673354249624	0.326645750376201	7	0.733333333333333	1.2	-4	28.7757624168846	26	0.9	32	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+230003939.579729	361.135022329164	223.462425992205	"C12H24O12"	"O12"	"CHO"	12	24	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	360.127745877004	361.13405268536	2.69249957858978	2.69	361	360.731775737001	0.268224262999183	1	1	2	-11	27.7020597102462	24	0.9	26	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+31702324.6337249	393.211652681097	675.482156964417	"C18H32O9"	"O9"	"CHO"	18	32	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	392.204376228937	393.21190907366	-0.653721831014225	0.65	393	392.772589036924	0.227410963076409	3	0.5	1.77777777777778	-6	30.1695871247308	27	0.9	38	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+448041787.24181	337.201587806962	282.461297081305	"C19H28O5"	"O5"	"CHO"	19	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	336.194311354802	337.20095045686	1.89577896021592	1.9	337	336.825065501598	0.174934498402308	6	0.263157894736842	1.47368421052632	1	25.8610518465154	24	0.9	40	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+349579787.690273	337.236493410108	661.721057781277	"C20H32O4"	"O4"	"CHO"	20	32	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	336.229216957948	337.23733596216	-2.50588589424017	2.51	337	336.859932128835	0.140067871164604	5	0.2	1.6	1	25.8638507315385	24	0.9	42	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+109569632.00546	389.253270057012	600.061954490506	"C20H36O7"	"O7"	"CHO"	20	36	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.245993604852	389.25337995666	-0.283067049661739	0.28	389	388.818626378239	0.181373621760827	3	0.35	1.8	-4	29.8650848849615	27	0.9	42	0.9	0	0	0	0	0	0	0	0	0	"Unambiguous"
+106746438.674237	491.19062426219	403.437874733874	"C25H30O10"	"O10"	"CHO"	25	30	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	490.18334781003	491.19117363216	-1.12074384510482	1.12	491	490.642156423046	0.357843576954338	11	0.4	1.2	1	37.7064536292308	35	0.9	52	0.6	0	0	0	0	0	0	0	0	0	"Unambiguous"
+40254237.4729523	373.273953413712	638.33986456304	"C24H36O3"	"O3"	"CHO"	24	36	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	372.266676961552	373.27372146746	0.62306477152937	0.62	373	372.857152382656	0.142847617344387	7	0.125	1.5	4	28.6358803857923	27	0.9	50	0.7	0	0	0	0	0	0	0	0	0	"Unambiguous"
+49960413.4767509	483.296427046532	716.3730742	"C26H42O8"	"O8"	"CHO"	26	42	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	482.289150594372	483.29524477036	2.4513845492062	2.45	483	482.756773938522	0.243226061477856	6	0.307692307692308	1.61538461538462	-2	37.0990744860154	34	0.9	54	0.8	0	0	0	0	0	0	0	0	0	"Unambiguous"
+459446839.554623	121.028406955477	216.207347867731	"C7H4O2"	"O2"	"CHO"	7	4	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.021130503317	121.02840582436	0.00942431539991429	0.01	121	120.893265555053	0.106734444947051	6	0.285714285714286	0.571428571428571	4	9.23239456709231	9	1	16	0.2	122.031729582056	53410998.8063454	224.66676457537	0	0	0	0	0	0	"Unambiguous"
+1595587839.93053	121.028559025773	207.696869046148	"C7H4O2"	"O2"	"CHO"	7	4	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.021282573613	121.02840582436	1.27645205678646	1.28	121	120.893417455546	0.106582544454085	6	0.285714285714286	0.571428571428571	4	9.23239456709231	9	1	16	0.2	122.031910477811	111453762.090204	207.855893324489	0	0	0	0	0	0	"Unambiguous"
+762712414.571087	121.028559025627	224.567988388618	"C7H4O2"	"O2"	"CHO"	7	4	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.021282573467	121.02840582436	1.27645084031775	1.28	121	120.8934174554	0.106582544599931	6	0.285714285714286	0.571428571428571	4	9.23239456709231	9	1	16	0.2	122.031910477811	111453762.090204	207.855893324489	0	0	0	0	0	0	"Unambiguous"
+31578079.5835462	121.064839051124	670.934855605503	"C8H8O"	"O"	"CHO"	8	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.057562598964	121.06479132966	0.397488196219781	0.4	121	120.929656970296	0.0703430297035226	5	0.125	1	4	9.23519345211538	9	1	18	0.4	122.068097517923	19923361.3294357	134.560305806195	0	0	0	0	0	0	"Unambiguous"
+133254582.894892	121.064480614559	462.7353718	"C8H8O"	"O"	"CHO"	8	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.057204162399	121.06479132966	-2.58805877716369	2.59	121	120.929298933965	0.070701066035042	5	0.125	1	4	9.23519345211538	9	1	18	0.4	122.068097517923	19923361.3294357	134.560305806195	0	0	0	0	0	0	"Unambiguous"
+430665965.04085	121.064772496781	140.85424693604	"C8H8O"	"O"	"CHO"	8	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.057496044621	121.06479132966	-0.156865498728882	0.16	121	120.929590490269	0.0704095097313342	5	0.125	1	4	9.23519345211538	9	1	18	0.4	122.068097517923	19923361.3294357	134.560305806195	0	0	0	0	0	0	"Unambiguous"
+321389414.137654	121.101133005817	422.3570953	"C9H12"	""	"CH"	9	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	120.093856553657	121.10117683496	-0.36495741125817	0.36	121	120.965910398835	0.0340896011645526	4	0	1.33333333333333	4	9.23799233713846	9	1	20	0.6	122.104664227996	45834644.7589558	451.428059293806	0	0	0	0	0	0	"Unambiguous"
+185078214.682774	127.039058673322	126.125181069972	"C6H6O3"	"O3"	"CHO"	6	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.031782221162	127.03897051046	0.69952880503435	0.7	127	126.897205725493	0.102794274506863	4	0.5	1	1	9.69474569679231	9	0.9	14	0.4	128.042378298237	21780670.9564565	153.604116055352	0	0	0	0	0	0	"Unambiguous"
+115368386.33415	127.038973541025	201.423232406822	"C6H6O3"	"O3"	"CHO"	6	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.031697088865	127.03897051046	0.0240460541386595	0.02	127	126.897120688256	0.102879311744374	4	0.5	1	1	9.69474569679231	9	0.9	14	0.4	128.042378298237	21780670.9564565	153.604116055352	0	0	0	0	0	0	"Unambiguous"
+381803778.307465	127.039058673366	154.69058659011	"C6H6O3"	"O3"	"CHO"	6	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.031782221206	127.03897051046	0.699529154127052	0.7	127	126.897205725537	0.102794274462909	4	0.5	1	1	9.69474569679231	9	0.9	14	0.4	128.042378298237	21780670.9564565	153.604116055352	0	0	0	0	0	0	"Unambiguous"
+80027118.1286337	127.039058916922	195.927359304219	"C6H6O3"	"O3"	"CHO"	6	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	126.031782464762	127.03897051046	0.701461649461922	0.7	127	126.897205968821	0.10279403117886	4	0.5	1	1	9.69474569679231	9	0.9	14	0.4	128.042378298237	21780670.9564565	153.604116055352	0	0	0	0	0	0	"Unambiguous"
+3620381521.35658	131.049175570564	426.862651647407	"C9H6O"	"O"	"CHO"	9	6	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	130.041899118404	131.04914126586	0.263797316360804	0.26	131	130.902844890383	0.0971551096170629	7	0.111111111111111	0.666666666666667	6	10.0032203702846	10	1	20	0.3	132.0524023	312302404.350288	425.674932271274	0	0	0	0	0	0	"Unambiguous"
+239867231.468713	131.049376883118	453.378981352382	"C9H6O"	"O"	"CHO"	9	6	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	130.042100430958	131.04914126586	1.81185367829751	1.81	131	130.90304597815	0.0969540218504505	7	0.111111111111111	0.666666666666667	6	10.0032203702846	10	1	20	0.3	132.0524023	312302404.350288	425.674932271274	0	0	0	0	0	0	"Unambiguous"
+504554937.858099	137.059611	338.116971352569	"C8H8O2"	"O2"	"CHO"	8	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.05233454784	137.05970595196	-0.697907612609302	0.7	137	136.906569013924	0.0934309860762994	5	0.25	1	3	10.4655714999846	10	1	18	0.4	138.062769711912	70422417.8690615	258.184450257708	0	0	0	0	0	0	"Unambiguous"
+68436483.3157973	137.059829579825	1006.780378	"C8H8O2"	"O2"	"CHO"	8	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	136.052553127665	137.05970595196	0.908677288049831	0.91	137	136.906787349681	0.0932126503194866	5	0.25	1	3	10.4655714999846	10	1	18	0.4	138.063314108629	29794269.661075	839.88530752187	0	0	0	0	0	0	"Unambiguous"
+126609199.374696	145.085665842362	211.535981088847	"C7H12O3"	"O3"	"CHO"	7	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.078389390202	145.08592070186	-1.76889469044267	1.77	145	144.923661891747	0.0763381082527133	2	0.428571428571429	1.71428571428571	-1	11.0829726345923	10	0.9	16	0.8	146.089138288007	99898681.9627213	229.351770619046	0	0	0	0	0	0	"Unambiguous"
+1579551131.56632	145.085900628212	229.048503394111	"C7H12O3"	"O3"	"CHO"	7	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	144.078624176052	145.08592070186	-0.139324262231828	0.14	145	144.923896415433	0.0761035845667095	2	0.428571428571429	1.71428571428571	-1	11.0829726345923	10	0.9	16	0.8	146.089138288007	99898681.9627213	229.351770619046	0	0	0	0	0	0	"Unambiguous"
+190866717.677523	147.044179044524	314.520110492621	"C9H6O2"	"O2"	"CHO"	9	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.036902592364	147.04405588816	0.84332358336435	0.84	147	146.879988200571	0.120011799428795	7	0.222222222222222	0.666666666666667	5	11.2335984181538	11	1	20	0.3	148.047283684365	19857549.6763571	325.5303312	0	0	0	0	0	0	"Unambiguous"
+177285374.620335	147.080316009467	377.235939979885	"C10H10O"	"O"	"CHO"	10	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.073039557307	147.08044139346	-0.858365057567409	0.86	147	146.916084814656	0.0839151853436704	6	0.1	1	5	11.2363973031769	11	1	22	0.5	148.083550145682	36058954.2341292	565.6428664	0	0	0	0	0	0	"Ambiguous"
+109020558.600184	147.080316883342	544.138229956017	"C10H10O"	"O"	"CHO"	10	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.073040431182	147.08044139346	-0.852382600140621	0.85	147	146.916085687556	0.083914312444449	6	0.1	1	5	11.2363973031769	11	1	22	0.5	148.083550145682	36058954.2341292	565.6428664	0	0	0	0	0	0	"Unambiguous"
+32515653.5365925	147.080316009467	377.248025738623	"C10H10O"	"O"	"CHO"	10	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.073039557307	147.08044139346	-0.858365057567409	0.86	147	146.916084814656	0.0839151853436704	6	0.1	1	5	11.2363973031769	11	1	22	0.5	148.083550145682	36058954.2341292	565.6428664	0	0	0	0	0	0	"Unambiguous"
+63288839.3374306	147.080316611482	487.011134083215	"C10H10O"	"O"	"CHO"	10	10	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	146.073040159322	147.08044139346	-0.854243725370678	0.85	147	146.916085415999	0.0839145840008939	6	0.1	1	5	11.2363973031769	11	1	22	0.5	148.083550145682	36058954.2341292	565.6428664	0	0	0	0	0	0	"Unambiguous"
+120218813.836394	149.023348382557	804.4273921	"C8H4O3"	"O3"	"CHO"	8	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.016071930397	149.02332044666	0.188735565298194	0.19	149	148.85694758044	0.143052419559723	7	0.375	0.5	4	11.3858495380385	11	1	18	0.2	150.026570646259	42196676.3563163	794.420816972083	0	0	0	0	0	0	"Unambiguous"
+544581357.180439	149.023333109275	794.369181693333	"C8H4O3"	"O3"	"CHO"	8	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.016056657115	149.02332044666	0.0855489282196844	0.09	149	148.856932324213	0.143067675787421	7	0.375	0.5	4	11.3858495380385	11	1	18	0.2	150.026570646259	42196676.3563163	794.420816972083	0	0	0	0	0	0	"Unambiguous"
+58943410.2511576	149.023086628907	345.981131053217	"C8H4O3"	"O3"	"CHO"	8	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.015810176747	149.02332044666	-1.57968093209657	1.58	149	148.856686119067	0.143313880933249	7	0.375	0.5	4	11.3858495380385	11	1	18	0.2	150.026570646259	42196676.3563163	794.420816972083	0	0	0	0	0	0	"Unambiguous"
+106666543.777733	149.023335914536	1319.73910824109	"C8H4O3"	"O3"	"CHO"	8	4	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.016059462376	149.02332044666	0.104501336323411	0.1	149	148.856935126341	0.143064873658801	7	0.375	0.5	4	11.3858495380385	11	1	18	0.2	150.026570646259	42196676.3563163	794.420816972083	0	0	0	0	0	0	"Unambiguous"
+970637311.5	149.096105311228	376.003310627046	"C10H12O"	"O"	"CHO"	10	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	148.088828859068	149.09609145726	0.0935517426007259	0.09	149	148.929623268075	0.0703767319252506	5	0.1	1.2	4	11.3914473080846	11	1	22	0.5	150.099338738694	109582112.792676	413.386194906235	0	0	0	0	0	0	"Unambiguous"
+158931936.86869	151.038974157078	279.991417174081	"C8H6O3"	"O3"	"CHO"	8	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.031697704918	151.03897051046	0.0243056505244038	0.02	151	150.870322689215	0.129677310785297	6	0.375	0.75	3	11.5408995429462	11	1	18	0.3	152.04228982968	33301385.4760669	242.892452488447	0	0	0	0	0	0	"Unambiguous"
+561974489.872506	151.038974157049	242.962644750034	"C8H6O3"	"O3"	"CHO"	8	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.031697704889	151.03897051046	0.0243054572976166	0.02	151	150.870322689186	0.129677310814259	6	0.375	0.75	3	11.5408995429462	11	1	18	0.3	152.04228982968	33301385.4760669	242.892452488447	0	0	0	0	0	0	"Unambiguous"
+47595785.96	151.075099630601	518.9406363	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.067823178441	151.07535601576	-1.70846190468653	1.71	151	150.906407824711	0.0935921752887907	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	152.078775254603	144820877.464714	413.871641030038	0	0	0	0	0	0	"Unambiguous"
+41331243.4012657	151.075347279301	184.975019884412	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068070827141	151.07535601576	-0.0582166409304082	0.06	151	150.906655196884	0.0933448031155137	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	152.078775254603	144820877.464714	413.871641030038	0	0	0	0	0	0	"Unambiguous"
+297260791.49097	151.075348189833	396.7290253003	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068071737673	151.07535601576	-0.0521491808574883	0.05	151	150.9066561064	0.0933438936002347	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	152.078775254603	144820877.464714	413.871641030038	0	0	0	0	0	0	"Unambiguous"
+356233349.575239	151.075348501832	431.297547359197	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068072049672	151.07535601576	-0.0500701308994088	0.05	151	150.90665641805	0.0933435819496253	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	152.078775254603	144820877.464714	413.871641030038	0	0	0	0	0	0	"Unambiguous"
+149232236.3192	151.075347569279	276.497911683643	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068071117119	151.07535601576	-0.0562843312087163	0.06	151	150.906655486539	0.093344513461318	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	152.078775254603	144820877.464714	413.871641030038	0	0	0	0	0	0	"Unambiguous"
+50350545.4073705	151.075349373157	598.332146285768	"C9H10O2"	"O2"	"CHO"	9	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.068072920997	151.07535601576	-0.0442639322431944	0.04	151	150.906657288402	0.0933427115975576	5	0.222222222222222	1.11111111111111	3	11.5436984279692	11	1	20	0.5	152.078775254603	144820877.464714	413.871641030038	0	0	0	0	0	0	"Unambiguous"
+1009214168.08703	151.111735640747	576.711176614036	"C10H14O"	"O"	"CHO"	10	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	150.104459188587	151.11174152106	-0.0391748054321338	0.04	151	150.943002926761	0.0569970732389891	4	0.1	1.4	3	11.5464973129923	11	1	22	0.6	152.115022338309	86619756.75	578.6069949	0	0	0	0	0	0	"Unambiguous"
+115079348.259547	153.054619927045	324.430873173834	"C8H8O3"	"O3"	"CHO"	8	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.047343474885	153.05462057426	-0.00425666752451206	0	153	152.883717771108	0.116282228892004	5	0.375	1	2	11.6959495478538	11	0.9	18	0.4	154.057848301939	76839693.460119	241.238881668081	0	0	0	0	0	0	"Unambiguous"
+263401094.044576	153.0548737116	273.287861867205	"C8H8O3"	"O3"	"CHO"	8	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.04759725944	153.05462057426	1.66485590425078	1.66	153	152.883971272285	0.116028727715076	5	0.375	1	2	11.6959495478538	11	0.9	18	0.4	154.057848301939	76839693.460119	241.238881668081	0	0	0	0	0	0	"Unambiguous"
+90123154.5045581	153.054620565435	431.164872616436	"C8H8O3"	"O3"	"CHO"	8	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.047344113275	153.05462057426	-5.80411165550166e-05	0	153	152.883718408785	0.116281591214829	5	0.375	1	2	11.6959495478538	11	0.9	18	0.4	154.057848301939	76839693.460119	241.238881668081	0	0	0	0	0	0	"Unambiguous"
+499816501.730944	153.090962015696	406.508367044693	"C9H12O2"	"O2"	"CHO"	9	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.083685563536	153.09100607956	-0.289734325195616	0.29	153	152.920019279858	0.0799807201418616	4	0.222222222222222	1.33333333333333	2	11.6987484328769	11	0.9	20	0.6	154.094290985006	29387681.2203539	454.671135980701	0	0	0	0	0	0	"Unambiguous"
+142171940.242488	153.127316094464	366.444603431869	"C10H16O"	"O"	"CHO"	10	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.120039642304	153.12739158486	-0.496255432075787	0.5	153	152.956332765337	0.0436672346629905	3	0.1	1.6	2	11.7015473179	11	0.9	22	0.7	154.130490423154	83504661.4511727	529.30027344462	0	0	0	0	0	0	"Unambiguous"
+233769978.663164	153.127570993099	525.205549332726	"C10H16O"	"O"	"CHO"	10	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.120294540939	153.12739158486	1.17938398389062	1.18	153	152.95658737935	0.0434126206500594	3	0.1	1.6	2	11.7015473179	11	0.9	22	0.7	154.130490423154	83504661.4511727	529.30027344462	0	0	0	0	0	0	"Unambiguous"
+232926651.290934	153.127571565923	616.939533463001	"C10H16O"	"O"	"CHO"	10	16	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	152.120295113763	153.12739158486	1.18314957829002	1.18	153	152.956587951534	0.043412048465683	3	0.1	1.6	2	11.7015473179	11	0.9	22	0.7	154.130490423154	83504661.4511727	529.30027344462	0	0	0	0	0	0	"Unambiguous"
+175038518.098056	163.038746167739	331.749877104672	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031469715579	163.03897051046	-1.38456264941238	1.38	163	162.856695647248	0.143304352752409	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042329495914	22884514.0142232	794.594714114366	0	0	0	0	0	0	"Unambiguous"
+51123552.5496636	163.03874778808	622.362910076871	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.03147133592	163.03897051046	-1.37456247327428	1.37	163	162.856697265779	0.143302734220669	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042329495914	22884514.0142232	794.594714114366	0	0	0	0	0	0	"Unambiguous"
+152837103.236413	163.039025195836	264.910261010672	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031748743676	163.03897051046	0.337497906576698	0.34	163	162.856974363779	0.143025636220671	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+313721942.353506	163.039028106758	794.185362622496	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031751654598	163.03897051046	0.355463033747108	0.36	163	162.856977271451	0.143022728549028	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+144128908.085932	163.039025865484	366.982405291024	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031749413324	163.03897051046	0.341630724949995	0.34	163	162.85697503268	0.1430249673204	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+36789797.884446	163.039029044666	988.8897768	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031752592506	163.03897051046	0.361251452683392	0.36	163	162.856978208312	0.143021791688312	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+38730941.8701385	163.039028106743	815.846984868058	"C9H6O3"	"O3"	"CHO"	9	6	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.031751654583	163.03897051046	0.355462941131574	0.36	163	162.856977271436	0.143022728564006	7	0.333333333333333	0.666666666666667	4	12.4639764660231	12	1	20	0.3	164.042350246799	22855959.8025283	802.799463173119	0	0	0	0	0	0	"Unambiguous"
+37020036.9627133	163.075349063808	545.340178228091	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068072611648	163.07535601576	-0.0428952593221004	0.04	163	162.893257672196	0.106742327804142	6	0.2	1	4	12.4667753510462	12	1	22	0.5	164.078703575507	50251861.9784948	451.471880726613	0	0	0	0	0	0	"Unambiguous"
+43905349.6829508	163.075347751637	294.477696096187	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068071299477	163.07535601576	-0.0509916786479983	0.05	163	162.89325636149	0.106743638509954	6	0.2	1	4	12.4667753510462	12	1	22	0.5	164.078703575507	50251861.9784948	451.471880726613	0	0	0	0	0	0	"Unambiguous"
+224964193.523705	163.075627543535	394.571469318479	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068351091375	163.07535601576	1.6753904952449	1.68	163	162.89353584097	0.106464159030082	6	0.2	1	4	12.4667753510462	12	1	22	0.5	164.078703575507	50251861.9784948	451.471880726613	0	0	0	0	0	0	"Unambiguous"
+142055110.37146	163.075348762482	485.295056418014	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068072310322	163.07535601576	-0.0447545151623964	0.04	163	162.893257371206	0.106742628793683	6	0.2	1	4	12.4667753510462	12	1	22	0.5	164.078703575507	50251861.9784948	451.471880726613	0	0	0	0	0	0	"Unambiguous"
+115436266.054428	163.075348431731	451.066425278218	"C10H10O2"	"O2"	"CHO"	10	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.068071979571	163.07535601576	-0.046795330678992	0.05	163	162.893257040825	0.106742959175364	6	0.2	1	4	12.4667753510462	12	1	22	0.5	164.078703575507	50251861.9784948	451.471880726613	0	0	0	0	0	0	"Unambiguous"
+44598347.24	163.111683432606	563.826538546331	"C11H14O"	"O"	"CHO"	11	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.104406980446	163.11174152106	-0.358339758266703	0.36	163	162.929551469713	0.0704485302869386	5	0.0909090909090909	1.27272727272727	4	12.4695742360692	12	1	24	0.6	164.115092017902	22767070.6439868	475.561181628646	0	0	0	0	0	0	"Unambiguous"
+309673002.132054	163.111683131241	482.015704384488	"C11H14O"	"O"	"CHO"	11	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	162.104406679081	163.11174152106	-0.360198838508834	0.36	163	162.929551168685	0.0704488313154457	5	0.0909090909090909	1.27272727272727	4	12.4695742360692	12	1	24	0.6	164.115092017902	22767070.6439868	475.561181628646	0	0	0	0	0	0	"Unambiguous"
+356847809.252394	165.054633050795	250.993879837395	"C9H8O3"	"O3"	"CHO"	9	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.047356598635	165.05462057426	0.0760544714881349	0.08	165	164.870331573001	0.129668426999132	6	0.333333333333333	0.888888888888889	3	12.6190264709308	12	1	20	0.4	166.05809385444	56141878.6955072	256.487700929703	0	0	0	0	0	0	"Unambiguous"
+32731883.7092753	165.054632733924	205.228035063811	"C9H8O3"	"O3"	"CHO"	9	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.047356281764	165.05462057426	0.0741228891798112	0.07	165	164.870331256484	0.129668743516305	6	0.333333333333333	0.888888888888889	3	12.6190264709308	12	1	20	0.4	166.05809385444	56141878.6955072	256.487700929703	0	0	0	0	0	0	"Unambiguous"
+181867600.61938	165.054917933159	289.87621123562	"C9H8O3"	"O3"	"CHO"	9	8	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.047641480999	165.05462057426	1.81263745296308	1.81	165	164.870616137263	0.129383862737313	6	0.333333333333333	0.888888888888889	3	12.6190264709308	12	1	20	0.4	166.05809385444	56141878.6955072	256.487700929703	0	0	0	0	0	0	"Unambiguous"
+772321498.032544	165.091062684938	438.459128202056	"C10H12O2"	"O2"	"CHO"	10	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.083786232778	165.09100607956	0.344978497302112	0.34	165	164.906720529489	0.0932794705110211	5	0.2	1.2	3	12.6218253559538	12	1	22	0.5	166.094148326901	39728369.5270568	536.346572160807	0	0	0	0	0	0	"Unambiguous"
+470015361.422812	165.091063019601	500.986596531268	"C10H12O2"	"O2"	"CHO"	10	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.083786567441	165.09100607956	0.347018082546173	0.35	165	164.906720863778	0.0932791362217245	5	0.2	1.2	3	12.6218253559538	12	1	22	0.5	166.094148326901	39728369.5270568	536.346572160807	0	0	0	0	0	0	"Unambiguous"
+33419147.1558263	165.091063637292	637.593690927531	"C10H12O2"	"O2"	"CHO"	10	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.083787185132	165.09100607956	0.350782566513889	0.35	165	164.90672148078	0.0932785192204619	5	0.2	1.2	3	12.6218253559538	12	1	22	0.5	166.094148326901	39728369.5270568	536.346572160807	0	0	0	0	0	0	"Unambiguous"
+24058915.6173684	165.091063637205	635.230465608746	"C10H12O2"	"O2"	"CHO"	10	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	164.083787185045	165.09100607956	0.35078203630415	0.35	165	164.906721480693	0.0932785193073471	5	0.2	1.2	3	12.6218253559538	12	1	22	0.5	166.094148326901	39728369.5270568	536.346572160807	0	0	0	0	0	0	"Unambiguous"
+556952873.296589	167.070173905161	380.90853177222	"C9H10O3"	"O3"	"CHO"	9	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.062897453001	167.07027063806	-0.582507594975564	0.58	167	166.883621856443	0.116378143557114	5	0.333333333333333	1.11111111111111	2	12.7740764758385	12	0.9	20	0.5	168.073832371366	149719441.222397	388.858513420568	0	0	0	0	0	0	"Unambiguous"
+70181648.97	167.070464677693	548.583600747673	"C9H10O3"	"O3"	"CHO"	9	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.063188225533	167.07027063806	1.16846867183842	1.17	167	166.883912304296	0.116087695704323	5	0.333333333333333	1.11111111111111	2	12.7740764758385	12	0.9	20	0.5	168.073832371366	149719441.222397	388.858513420568	0	0	0	0	0	0	"Unambiguous"
+161248407.9079	167.070174588906	503.477790838372	"C9H10O3"	"O3"	"CHO"	9	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.062898136746	167.07027063806	-0.578390206803111	0.58	167	166.883622539424	0.116377460575563	5	0.333333333333333	1.11111111111111	2	12.7740764758385	12	0.9	20	0.5	168.073832371366	149719441.222397	388.858513420568	0	0	0	0	0	0	"Unambiguous"
+893684258.480123	167.106692449551	459.142965920341	"C10H14O2"	"O2"	"CHO"	10	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.099415997391	167.10665614336	0.218581087562847	0.22	167	166.9200996239	0.0799003761000279	4	0.2	1.4	2	12.7768753608615	12	0.9	22	0.6	168.110096210011	262535972.590193	416.39434207331	0	0	0	0	0	0	"Unambiguous"
+2103863074	167.106692449667	407.683168275603	"C10H14O2"	"O2"	"CHO"	10	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	166.099415997507	167.10665614336	0.218581786044488	0.22	167	166.920099624016	0.0799003759841241	4	0.2	1.4	2	12.7768753608615	12	0.9	22	0.6	168.110096210011	262535972.590193	416.39434207331	0	0	0	0	0	0	"Unambiguous"
+268407308.300179	169.085678074997	338.142916470921	"C9H12O3"	"O3"	"CHO"	9	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.078401622837	169.08592070186	-1.44353385485886	1.44	169	168.896875496317	0.103124503682835	4	0.333333333333333	1.33333333333333	1	12.9291264807462	12	0.9	20	0.6	170.089422178279	41575991.98	324.423152014439	0	0	0	0	0	0	"Unambiguous"
+165591171.594706	169.085973819499	417.337145049626	"C9H12O3"	"O3"	"CHO"	9	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.078697367339	169.08592070186	0.316028383313274	0.32	169	168.897170910588	0.102829089411756	4	0.333333333333333	1.33333333333333	1	12.9291264807462	12	0.9	20	0.6	170.089422178279	41575991.98	324.423152014439	0	0	0	0	0	0	"Unambiguous"
+118639831.682852	169.085972775605	278.33994097873	"C9H12O3"	"O3"	"CHO"	9	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.078696323445	169.08592070186	0.309817639802737	0.31	169	168.89716986786	0.102830132140156	4	0.333333333333333	1.33333333333333	1	12.9291264807462	12	0.9	20	0.6	170.089422178279	41575991.98	324.423152014439	0	0	0	0	0	0	"Unambiguous"
+892609768.6485	169.122270213149	548.120365515732	"C10H16O2"	"O2"	"CHO"	10	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.114993760989	169.12230620716	-0.214103514475083	0.21	169	168.933426775361	0.0665732246391997	3	0.2	1.6	1	12.9319253657692	12	0.9	22	0.7	170.125448166927	198853028.054446	569.572653683446	0	0	0	0	0	0	"Unambiguous"
+759508013.3678	169.122270213265	555.431963702421	"C10H16O2"	"O2"	"CHO"	10	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.114993761105	169.12230620716	-0.214102824367436	0.21	169	168.933426775477	0.0665732245232959	3	0.2	1.6	1	12.9319253657692	12	0.9	22	0.7	170.125448166927	198853028.054446	569.572653683446	0	0	0	0	0	0	"Unambiguous"
+53425441.2759401	169.122267864849	163.11714708744	"C10H16O2"	"O2"	"CHO"	10	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	168.114991412689	169.12230620716	-0.228071932661484	0.23	169	168.933424429683	0.0665755703170419	3	0.2	1.6	1	12.9319253657692	12	0.9	22	0.7	170.125448166927	198853028.054446	569.572653683446	0	0	0	0	0	0	"Unambiguous"
+215792993.838	171.065045608766	201.976510001616	"C8H10O4"	"O4"	"CHO"	8	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.057769156606	171.06518526036	-0.821200905374157	0.82	171	170.874032850615	0.125967149384849	4	0.5	1.25	0	13.0813776006308	12	0.9	18	0.6	172.068772679742	23699876.1133968	234.13908723455	0	0	0	0	0	0	"Unambiguous"
+421692281.77641	171.101530018729	333.603268695717	"C9H14O3"	"O3"	"CHO"	9	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.094253566569	171.10157076566	-0.239555012305281	0.24	171	170.91047652176	0.0895234782399825	3	0.333333333333333	1.55555555555556	0	13.0841764856538	12	0.9	20	0.7	172.104822618375	35166746.8929395	496.049765304794	0	0	0	0	0	0	"Unambiguous"
+487600711.785678	171.101531079244	494.959346569657	"C9H14O3"	"O3"	"CHO"	9	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	170.094254627084	171.10157076566	-0.233320144029441	0.23	171	170.910477581091	0.089522418909155	3	0.333333333333333	1.55555555555556	0	13.0841764856538	12	0.9	20	0.7	172.104822618375	35166746.8929395	496.049765304794	0	0	0	0	0	0	"Unambiguous"
+372616774.198346	175.111612481644	470.779090996811	"C12H14O"	"O"	"CHO"	12	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.104336029484	175.11174152106	-0.741161414771075	0.74	175	174.916081290772	0.083918709227504	6	0.0833333333333333	1.16666666666667	5	13.3926511591462	13	1	26	0.5	176.114988480169	32339318.8773372	455.462824110975	0	0	0	0	0	0	"Unambiguous"
+35837424.2996448	175.111613136819	632.254189810924	"C12H14O"	"O"	"CHO"	12	14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	174.104336684659	175.11174152106	-0.737398294916963	0.74	175	174.916081945216	0.0839180547840783	6	0.0833333333333333	1.16666666666667	5	13.3926511591462	13	1	26	0.5	176.114988480169	32339318.8773372	455.462824110975	0	0	0	0	0	0	"Unambiguous"
+410651244.349666	179.10662494346	405.815116232643	"C11H14O2"	"O2"	"CHO"	11	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.0993484913	179.10665614336	-0.175182561148304	0.18	179	178.906632885984	0.0933671140161323	5	0.181818181818182	1.27272727272727	3	13.6999522839385	13	0.9	24	0.6	180.109548958183	32884782.0641421	573.175205543768	0	0	0	0	0	0	"Unambiguous"
+318273486.431317	179.106626007619	569.517320862375	"C11H14O2"	"O2"	"CHO"	11	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	178.099349555459	179.10665614336	-0.169207473584463	0.17	179	178.906633948955	0.0933660510453649	5	0.181818181818182	1.27272727272727	3	13.6999522839385	13	0.9	24	0.6	180.109548958183	32884782.0641421	573.175205543768	0	0	0	0	0	0	"Unambiguous"
+956687155.292605	181.085598200141	481.692745706617	"C10H12O3"	"O3"	"CHO"	10	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.078321747981	181.08592070186	-1.79089696017472	1.79	181	180.883396403447	0.116603596552864	5	0.3	1.2	2	13.8522034038231	13	0.9	22	0.5	182.089054964012	112331118.470062	450.860860259147	0	0	0	0	0	0	"Unambiguous"
+1123669555.33242	181.085597833114	451.227545221414	"C10H12O3"	"O3"	"CHO"	10	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.078321380954	181.08592070186	-1.79293511579111	1.79	181	180.88339603683	0.116603963170036	5	0.3	1.2	2	13.8522034038231	13	0.9	22	0.5	182.089054964012	112331118.470062	450.860860259147	0	0	0	0	0	0	"Unambiguous"
+63555557.8101396	181.085599235406	655.655259845481	"C10H12O3"	"O3"	"CHO"	10	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.078322783246	181.08592070186	-1.78514797918196	1.79	181	180.883397437556	0.116602562443859	5	0.3	1.2	2	13.8522034038231	13	0.9	22	0.5	182.089054964012	112331118.470062	450.860860259147	0	0	0	0	0	0	"Unambiguous"
+201438070.636461	181.122227868664	540.072593137907	"C11H16O2"	"O2"	"CHO"	11	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.114951416504	181.12230620716	-0.434936108189983	0.43	181	180.919985170955	0.080014829044984	4	0.181818181818182	1.45454545454545	2	13.8550022888462	13	0.9	24	0.7	182.125659378633	57097215.9906413	448.41161860987	0	0	0	0	0	0	"Unambiguous"
+502860778.017699	181.121900070031	454.966020901696	"C11H16O2"	"O2"	"CHO"	11	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	180.114623617871	181.12230620716	-2.25488147962157	2.25	181	180.919657738345	0.0803422616550904	4	0.181818181818182	1.45454545454545	2	13.8550022888462	13	0.9	24	0.7	182.125659378633	57097215.9906413	448.41161860987	0	0	0	0	0	0	"Unambiguous"
+77051312.7181166	183.064972869845	178.589508971492	"C9H10O4"	"O4"	"CHO"	9	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.057696417685	183.06518526036	-1.16661102047345	1.17	183	182.860560885712	0.139439114287967	5	0.444444444444444	1.11111111111111	1	14.0044545237077	13	0.9	20	0.5	184.068193934005	31417296.4257934	209.893112915806	0	0	0	0	0	0	"Unambiguous"
+246577338.971875	183.064973221144	263.345300727406	"C9H10O4"	"O4"	"CHO"	9	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.057696768984	183.06518526036	-1.16468141576404	1.16	183	182.860561236619	0.139438763381236	5	0.444444444444444	1.11111111111111	1	14.0044545237077	13	0.9	20	0.5	184.068193934005	31417296.4257934	209.893112915806	0	0	0	0	0	0	"Unambiguous"
+196058220.97949	183.137787042488	564.838340631361	"C11H18O2"	"O2"	"CHO"	11	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	182.130510590328	183.13795627096	-0.929160476490813	0.93	183	182.933293753399	0.0667062466006314	3	0.181818181818182	1.63636363636364	1	14.0100522937538	13	0.9	24	0.8	184.14093655924	27606514.5249668	572.008694532704	0	0	0	0	0	0	"Unambiguous"
+2930168043.75641	185.117196150203	398.156810228209	"C10H16O3"	"O3"	"CHO"	10	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	184.109919698043	185.11722082946	-0.134046318828543	0.13	185	184.910492635221	0.0895073647785125	3	0.3	1.6	0	14.1623034136385	13	0.9	22	0.7	186.120659441291	119946992.257615	319.28104094832	0	0	0	0	0	0	"Unambiguous"
+367368074.668801	189.091144991185	486.510875900003	"C12H12O2"	"O2"	"CHO"	12	12	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	188.083868539025	189.09100607956	0.738562142866503	0.74	189	188.880004129426	0.119995870573973	7	0.166666666666667	1	5	14.4679792021077	14	1	26	0.5	190.094427496074	160533306.945912	558.675025800168	0	0	0	0	0	0	"Unambiguous"
+264731601.531424	191.070268815373	400.387645969882	"C11H10O3"	"O3"	"CHO"	11	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.062992363213	191.07027063806	-0.00958991010525686	0.01	191	190.856918046271	0.143081953728739	7	0.272727272727273	0.909090909090909	4	14.6202303219923	14	1	24	0.4	192.073289242579	135709823.938213	406.708302827257	0	0	0	0	0	0	"Unambiguous"
+272366441.162526	191.106425115313	591.5877325	"C12H14O2"	"O2"	"CHO"	12	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.099148663153	191.10665614336	-1.21530290185897	1.22	191	190.893033973764	0.106966026236279	6	0.166666666666667	1.16666666666667	4	14.6230292070154	14	1	26	0.5	192.110086432852	206459537.985948	509.908445146045	0	0	0	0	0	0	"Unambiguous"
+567684568.348991	191.106424400424	500.338688598711	"C12H14O2"	"O2"	"CHO"	12	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.099147948264	191.10665614336	-1.21906351762232	1.22	191	190.893033259673	0.10696674032701	6	0.166666666666667	1.16666666666667	4	14.6230292070154	14	1	26	0.5	192.110086432852	206459537.985948	509.908445146045	0	0	0	0	0	0	"Unambiguous"
+556566225.984985	191.106424400511	477.886575986412	"C12H14O2"	"O2"	"CHO"	12	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.099147948351	191.10665614336	-1.21906305997188	1.22	191	190.89303325976	0.106966740240097	6	0.166666666666667	1.16666666666667	4	14.6230292070154	14	1	26	0.5	192.110086432852	206459537.985948	509.908445146045	0	0	0	0	0	0	"Unambiguous"
+241772634.940341	191.106423618302	401.758578920957	"C12H14O2"	"O2"	"CHO"	12	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	190.099147166142	191.10665614336	-1.22317780735096	1.22	191	190.893032478424	0.106967521575683	6	0.166666666666667	1.16666666666667	4	14.6230292070154	14	1	26	0.5	192.110086432852	206459537.985948	509.908445146045	0	0	0	0	0	0	"Unambiguous"
+196304800.376291	193.049309403287	323.6917677	"C10H8O4"	"O4"	"CHO"	10	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.042032951127	193.04953519656	-1.17574923337163	1.18	193	192.833748819785	0.166251180215141	7	0.4	0.8	3	14.7724814418769	14	0.9	22	0.4	194.052738134241	74741187.15	322.540429821806	0	0	0	0	0	0	"Unambiguous"
+527164122.716719	193.049669336381	321.597266388196	"C10H8O4"	"O4"	"CHO"	10	8	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.042392884221	193.04953519656	0.698490676757182	0.7	193	192.834108350974	0.165891649025639	7	0.4	0.8	3	14.7724814418769	14	0.9	22	0.4	194.052738134241	74741187.15	322.540429821806	0	0	0	0	0	0	"Unambiguous"
+374864123.30092	193.085668574628	413.216624101784	"C11H12O3"	"O3"	"CHO"	11	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.078392122468	193.08592070186	-1.3126267313601	1.31	193	192.87006739215	0.129932607849668	6	0.272727272727273	1.09090909090909	3	14.7752803269	14	0.9	24	0.5	194.089019073039	84003326.8715791	538.785482056795	0	0	0	0	0	0	"Unambiguous"
+78682385.3160888	193.08566932306	533.532762325534	"C11H12O3"	"O3"	"CHO"	11	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.0783928709	193.08592070186	-1.30873023383092	1.31	193	192.870068139747	0.129931860253379	6	0.272727272727273	1.09090909090909	3	14.7752803269	14	0.9	24	0.5	194.089019073039	84003326.8715791	538.785482056795	0	0	0	0	0	0	"Unambiguous"
+1099262075.14548	193.12203760483	494.038751805699	"C12H16O2"	"O2"	"CHO"	12	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.11476115267	193.12230620716	-1.39813478344931	1.4	193	192.906395812368	0.0936041876316835	5	0.166666666666667	1.33333333333333	3	14.7780792119231	14	0.9	26	0.6	194.125307872791	60870164.1380882	442.745571430462	0	0	0	0	0	0	"Unambiguous"
+572577566.622463	193.122037213345	446.320505771601	"C12H16O2"	"O2"	"CHO"	12	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.114760761185	193.12230620716	-1.40017255268909	1.4	193	192.90639542132	0.0936045786795603	5	0.166666666666667	1.33333333333333	3	14.7780792119231	14	0.9	26	0.6	194.125307872791	60870164.1380882	442.745571430462	0	0	0	0	0	0	"Unambiguous"
+376297477.957395	193.122038327259	616.706941667287	"C12H16O2"	"O2"	"CHO"	12	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	192.114761875099	193.12230620716	-1.39437437492129	1.39	193	192.906396533991	0.0936034660093696	5	0.166666666666667	1.33333333333333	3	14.7780792119231	14	0.9	26	0.6	194.125307872791	60870164.1380882	442.745571430462	0	0	0	0	0	0	"Unambiguous"
+1038872205.00232	195.065107019056	236.430552298817	"C10H10O4"	"O4"	"CHO"	10	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.057830566896	195.06518526036	-0.403185502905721	0.4	195	194.847295577928	0.15270442207219	6	0.4	1	2	14.9275314467846	14	0.9	22	0.5	196.068471335955	106373943.128201	273.479222578062	0	0	0	0	0	0	"Unambiguous"
+1030031030.6329	195.06510701891	273.833029241348	"C10H10O4"	"O4"	"CHO"	10	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.05783056675	195.06518526036	-0.403186255271033	0.4	195	194.847295577782	0.152704422218022	6	0.4	1	2	14.9275314467846	14	0.9	22	0.5	196.068471335955	106373943.128201	273.479222578062	0	0	0	0	0	0	"Unambiguous"
+554679263.095918	195.065107	270.507513304539	"C10H10O4"	"O4"	"CHO"	10	10	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.05783054784	195.06518526036	-0.403283700419402	0.4	195	194.847295558893	0.152704441106891	6	0.4	1	2	14.9275314467846	14	0.9	22	0.5	196.068471335955	106373943.128201	273.479222578062	0	0	0	0	0	0	"Unambiguous"
+565618703.1	195.137881167072	606.215670575629	"C12H18O2"	"O2"	"CHO"	12	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.130604714912	195.13795627096	-0.386872992489332	0.39	195	194.91998846568	0.0800115343199934	4	0.166666666666667	1.5	2	14.9331292168308	14	0.9	26	0.7	196.141070519234	69154089.4500762	603.952934663437	0	0	0	0	0	0	"Unambiguous"
+710101307.546852	195.137880437045	517.349435527928	"C12H18O2"	"O2"	"CHO"	12	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.130603984885	195.13795627096	-0.390633488149104	0.39	195	194.919987736468	0.0800122635318417	4	0.166666666666667	1.5	2	14.9331292168308	14	0.9	26	0.7	196.141070519234	69154089.4500762	603.952934663437	0	0	0	0	0	0	"Unambiguous"
+631880386.294728	195.137880797773	552.485246041952	"C12H18O2"	"O2"	"CHO"	12	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	194.130604345613	195.13795627096	-0.388775315723594	0.39	195	194.919988096793	0.0800119032066391	4	0.166666666666667	1.5	2	14.9331292168308	14	0.9	26	0.7	196.141070519234	69154089.4500762	603.952934663437	0	0	0	0	0	0	"Unambiguous"
+298575514.226402	197.095936886287	719.614151854297	"C14H12O"	"O"	"CHO"	14	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.088660434127	197.09609145726	-0.788270839594224	0.79	197	196.875857802386	0.124142197613537	9	0.0714285714285714	0.857142857142857	8	15.0837550003923	15	1	30	0.4	198.099316239164	47346829.1434296	720.599812935957	0	0	0	0	0	0	"Unambiguous"
+319343220.020026	197.117102086062	569.56994290003	"C11H16O3"	"O3"	"CHO"	11	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.109825633902	197.11722082946	-0.605494383603471	0.61	197	196.89699936891	0.103000631089685	4	0.272727272727273	1.45454545454545	1	15.0853803367154	14	0.9	24	0.7	198.120642908004	35897295.2062584	503.129833851604	0	0	0	0	0	0	"Unambiguous"
+526155100.687975	197.117101322122	413.814222657438	"C11H16O3"	"O3"	"CHO"	11	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	196.109824869962	197.11722082946	-0.609389856239779	0.61	197	196.896998605823	0.103001394176658	4	0.272727272727273	1.45454545454545	1	15.0853803367154	14	0.9	24	0.7	198.120642908004	35897295.2062584	503.129833851604	0	0	0	0	0	0	"Unambiguous"
+219826149.257284	199.096425160656	273.537102928437	"C10H14O4"	"O4"	"CHO"	10	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.089148708496	199.09648538796	-0.304041409623532	0.3	199	198.874112313677	0.125887686323239	4	0.4	1.4	0	15.2376314566	14	0.9	22	0.6	200.099945817696	155233319.672852	126.125280141477	0	0	0	0	0	0	"Unambiguous"
+145875308.717268	199.096426389748	452.636212558704	"C10H14O4"	"O4"	"CHO"	10	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.089149937588	199.09648538796	-0.29783666611936	0.3	199	198.874113541396	0.125886458603645	4	0.4	1.4	0	15.2376314566	14	0.9	22	0.6	200.099945817696	155233319.672852	126.125280141477	0	0	0	0	0	0	"Unambiguous"
+517978122.6243	199.096425978722	385.44103013083	"C10H14O4"	"O4"	"CHO"	10	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.089149526562	199.09648538796	-0.299911621274023	0.3	199	198.874113130829	0.125886869170671	4	0.4	1.4	0	15.2376314566	14	0.9	22	0.6	200.099945817696	155233319.672852	126.125280141477	0	0	0	0	0	0	"Unambiguous"
+77849644.3256568	199.096426389777	411.903345925123	"C10H14O4"	"O4"	"CHO"	10	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.089149937617	199.09648538796	-0.297836519626865	0.3	199	198.874113541425	0.125886458574655	4	0.4	1.4	0	15.2376314566	14	0.9	22	0.6	200.099945817696	155233319.672852	126.125280141477	0	0	0	0	0	0	"Unambiguous"
+353191359.577737	199.132998567627	477.570723549422	"C11H18O3"	"O3"	"CHO"	11	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.125722115467	199.13287089326	0.644410860156509	0.64	199	198.910644882455	0.0893551175451819	3	0.272727272727273	1.63636363636364	0	15.2404303416231	14	0.9	24	0.8	200.136035000942	63285139.0690291	405.451987824893	0	0	0	0	0	0	"Unambiguous"
+159734280.484136	199.13262185615	560.750476102437	"C11H18O3"	"O3"	"CHO"	11	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.12534540399	199.13287089326	-1.25696744900275	1.26	199	198.910268591617	0.0897314083827894	3	0.272727272727273	1.63636363636364	0	15.2404303416231	14	0.9	24	0.8	200.136035000942	63285139.0690291	405.451987824893	0	0	0	0	0	0	"Unambiguous"
+38396310.6911666	199.132999312453	594.338762956433	"C11H18O3"	"O3"	"CHO"	11	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	198.125722860293	199.13287089326	0.648170218132384	0.65	199	198.910645626449	0.0893543735508615	3	0.272727272727273	1.63636363636364	0	15.2404303416231	14	0.9	24	0.8	200.136035000942	63285139.0690291	405.451987824893	0	0	0	0	0	0	"Unambiguous"
+257622023.304757	201.1118374	362.701357330802	"C10H16O4"	"O4"	"CHO"	10	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.10456094784	201.11213545176	-1.48948009266743	1.49	201	200.887274125709	0.112725874290533	3	0.4	1.6	-1	15.3926814615077	14	0.9	22	0.7	202.115229039964	138773592.10758	417.456139305044	0	0	0	0	0	0	"Unambiguous"
+466995128.025934	201.11222133208	538.228874712773	"C10H16O4"	"O4"	"CHO"	10	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.10494487992	201.11213545176	0.429176400672546	0.43	201	200.887657629087	0.112342370912529	3	0.4	1.6	-1	15.3926814615077	14	0.9	22	0.7	202.115229039964	138773592.10758	417.456139305044	0	0	0	0	0	0	"Unambiguous"
+940241804.8	201.11183742187	377.105826890684	"C10H16O4"	"O4"	"CHO"	10	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.10456096971	201.11213545176	-1.48937079967438	1.49	201	200.887274147555	0.112725852444953	3	0.4	1.6	-1	15.3926814615077	14	0.9	22	0.7	202.115229039964	138773592.10758	417.456139305044	0	0	0	0	0	0	"Unambiguous"
+48980293.7171985	201.112221332138	551.5227839	"C10H16O4"	"O4"	"CHO"	10	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	200.104944879978	201.11213545176	0.429176690563853	0.43	201	200.887657629145	0.112342370854577	3	0.4	1.6	-1	15.3926814615077	14	0.9	22	0.7	202.115229039964	138773592.10758	417.456139305044	0	0	0	0	0	0	"Unambiguous"
+113080302.084613	203.1067260631	468.430444015414	"C13H14O2"	"O2"	"CHO"	13	14	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.09944961094	203.10665614336	0.34596699866528	0.35	203	202.879935278307	0.12006472169324	7	0.153846153846154	1.07692307692308	5	15.5461061300923	15	1	28	0.5	204.109470048704	60712701.9095301	505.8329671	0	0	0	0	0	0	"Unambiguous"
+1501123781.16559	203.127702568166	410.433972769598	"C10H18O4"	"O4"	"CHO"	10	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.120426116006	203.12778551556	-0.410386003955928	0.41	203	202.90088836082	0.0991116391802223	2	0.4	1.8	-2	15.5477314664154	14	0.9	22	0.8	204.130993041859	132060068.706236	406.85833822354	0	0	0	0	0	0	"Unambiguous"
+283381120.368104	203.142875188634	576.054018595304	"C14H18O"	"O"	"CHO"	14	18	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.135598736474	203.14304164866	-0.823506730237566	0.82	203	202.916044039404	0.0839559605957731	6	0.0714285714285714	1.28571428571429	5	15.5489050151154	15	1	30	0.6	204.146258334786	34565778.96	556.914923039991	0	0	0	0	0	0	"Unambiguous"
+133670425.166155	203.179013842862	692.731038156708	"C15H22"	""	"CH"	15	22	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	202.171737390702	203.17942715396	-2.04435646321903	2.04	203	202.952142340888	0.0478576591119406	5	0	1.46666666666667	5	15.5517039001385	15	1	32	0.7	204.18266549657	26503706.9011689	772.860711231118	0	0	0	0	0	0	"Unambiguous"
+428075350.644423	207.101396575707	543.862295186498	"C12H14O3"	"O3"	"CHO"	12	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.094120123547	207.10157076566	-0.845196131173972	0.85	207	206.870145306133	0.129854693867344	6	0.25	1.16666666666667	3	15.8534072548846	15	0.9	26	0.5	208.104874940592	34550128.6298984	394.859832508461	0	0	0	0	0	0	"Unambiguous"
+424212845.614886	207.101395772749	447.376430508267	"C12H14O3"	"O3"	"CHO"	12	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.094119320589	207.10157076566	-0.849092208890714	0.85	207	206.870144504071	0.12985549592878	6	0.25	1.16666666666667	3	15.8534072548846	15	0.9	26	0.5	208.104874940592	34550128.6298984	394.859832508461	0	0	0	0	0	0	"Unambiguous"
+157577490.658474	207.137796217721	591.992123025155	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.130519765561	207.13795627096	-0.776465509241761	0.78	207	206.906504303981	0.0934956960188345	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	208.140734794865	83949489.12	587.796837169715	0	0	0	0	0	0	"Unambiguous"
+130357528.58112	207.137794594515	396.058868917141	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.130518142355	207.13795627096	-0.784340166902253	0.78	207	206.906502682588	0.093497317412357	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	208.140734794865	83949489.12	587.796837169715	0	0	0	0	0	0	"Unambiguous"
+108024022.440763	207.137796217575	625.003230953023	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.130519765415	207.13795627096	-0.776466217542672	0.78	207	206.906504303835	0.0934956961646662	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	208.140734794865	83949489.12	587.796837169715	0	0	0	0	0	0	"Unambiguous"
+190072694.350724	207.13779459501	351.988700413394	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.13051814285	207.13795627096	-0.784337765407773	0.78	207	206.906502683082	0.0934973169178761	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	208.140734794865	83949489.12	587.796837169715	0	0	0	0	0	0	"Unambiguous"
+194845389.927952	207.137795825512	560.333453166084	"C13H18O2"	"O2"	"CHO"	13	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.130519373352	207.13795627096	-0.778368232305629	0.78	207	206.90650391221	0.0934960877898732	5	0.153846153846154	1.38461538461538	3	15.8562061399077	15	0.9	28	0.6	208.140734794865	83949489.12	587.796837169715	0	0	0	0	0	0	"Unambiguous"
+23660012.249918	207.174206289604	822.802023798611	"C14H22O"	"O"	"CHO"	14	22	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	206.166929837444	207.17434177626	-0.657169683388142	0.66	207	206.942873720053	0.0571262799473402	4	0.0714285714285714	1.57142857142857	3	15.8590050249308	15	0.9	30	0.7	208.177811876354	23805516.3337668	664.791621147696	0	0	0	0	0	0	"Unambiguous"
+442782859.150468	209.059679718072	622.211489634677	"C14H8O2"	"O2"	"CHO"	14	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.052403265912	209.05970595196	-0.126092693936248	0.13	209	208.826241812046	0.173758187953609	11	0.142857142857143	0.571428571428571	9	16.0040330384462	16	1	30	0.3	210.062734721034	51251401.68	622.435670766431	0	0	0	0	0	0	"Unambiguous"
+71608909.758512	209.080773	490.456210881743	"C11H12O4"	"O4"	"CHO"	11	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.07349654784	209.08083532416	-0.299529546272921	0.3	209	208.847311541027	0.152688458972676	6	0.363636363636364	1.09090909090909	2	16.0056583747692	15	0.9	24	0.5	210.083979167979	90008117.2842227	385.861538841042	0	0	0	0	0	0	"Unambiguous"
+372738580.21398	209.080772175221	383.398655216091	"C11H12O4"	"O4"	"CHO"	11	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.073495723061	209.08083532416	-0.303493430465505	0.3	209	208.847310717169	0.152689282830693	6	0.363636363636364	1.09090909090909	2	16.0056583747692	15	0.9	24	0.5	210.083979167979	90008117.2842227	385.861538841042	0	0	0	0	0	0	"Unambiguous"
+250942155.186578	209.080771735071	336.558580240817	"C11H12O4"	"O4"	"CHO"	11	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.073495282911	209.08083532416	-0.30560878937909	0.31	209	208.847310277511	0.152689722489214	6	0.363636363636364	1.09090909090909	2	16.0056583747692	15	0.9	24	0.5	210.083979167979	90008117.2842227	385.861538841042	0	0	0	0	0	0	"Unambiguous"
+153515160.56074	209.080771734896	297.98269196744	"C11H12O4"	"O4"	"CHO"	11	12	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.073495282736	209.08083532416	-0.305609630528703	0.31	209	208.847310277336	0.152689722664036	6	0.363636363636364	1.09090909090909	2	16.0056583747692	15	0.9	24	0.5	210.083979167979	90008117.2842227	385.861538841042	0	0	0	0	0	0	"Unambiguous"
+577763223.412515	209.116883794103	479.792893436971	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.109607341943	209.11722082946	-1.61950887953223	1.62	209	208.883382013495	0.116617986504963	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120351012317	285260877.643606	471.581814248998	0	0	0	0	0	0	"Unambiguous"
+294712562.313469	209.116884180701	573.7162805	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.109607728541	209.11722082946	-1.61765121119243	1.62	209	208.883382399661	0.116617600338628	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120351012317	285260877.643606	471.581814248998	0	0	0	0	0	0	"Unambiguous"
+453904054.617405	209.116885382019	751.020762434126	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.109608929859	209.11722082946	-1.61187867640441	1.61	209	208.883383599638	0.116616400362034	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120351012317	285260877.643606	471.581814248998	0	0	0	0	0	0	"Unambiguous"
+126955234.156451	209.117290780975	684.65641730963	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.110014328815	209.11722082946	0.336127577653482	0.34	209	208.883788545922	0.116211454078126	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120352607852	45462004.6601107	751.348305	0	0	0	0	0	0	"Unambiguous"
+568698092.464528	209.117289585659	504.4511806735	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.110013133499	209.11722082946	0.330383905915415	0.33	209	208.883787351941	0.116212648059445	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120352607852	45462004.6601107	751.348305	0	0	0	0	0	0	"Unambiguous"
+497755825.867009	209.117288729704	388.088375702388	"C12H16O3"	"O3"	"CHO"	12	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	208.110012277544	209.11722082946	0.326270914417152	0.33	209	208.883786496941	0.116213503058674	5	0.25	1.33333333333333	2	16.0084572597923	15	0.9	26	0.6	210.120352607852	45462004.6601107	751.348305	0	0	0	0	0	0	"Unambiguous"
+130280891.256166	211.096482130755	451.542608754119	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.089205678595	211.09648538796	-0.0155039141506633	0.02	211	210.860769912959	0.139230087040573	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	212.100156161221	116039661.895991	540.7818394	0	0	0	0	0	0	"Unambiguous"
+380888004.127171	211.096482949109	533.5328287	"C11H14O4"	"O4"	"CHO"	11	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.089206496949	211.09648538796	-0.0116086449140014	0.01	211	210.8607707304	0.139229269600349	5	0.363636363636364	1.27272727272727	1	16.1607083796769	15	0.9	24	0.6	212.100156161221	116039661.895991	540.7818394	0	0	0	0	0	0	"Unambiguous"
+28948803.1362386	211.132706736966	717.947460753527	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.125430284806	211.13287089326	-0.781230019529885	0.78	211	210.896954070451	0.1030459295485	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+259797744.482993	211.132704705894	447.97009873079	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.125428253734	211.13287089326	-0.790896025094065	0.79	211	210.896952041647	0.103047958352562	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+952897865.671921	211.132705524301	546.622372098081	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.125429072141	211.13287089326	-0.787001172199345	0.79	211	210.896952859141	0.103047140859417	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+979345518.098293	211.13270513386	491.362727779932	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.1254286817	211.13287089326	-0.788859306772271	0.79	211	210.896952469136	0.103047530864444	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+606234675.163047	211.132704705632	433.9357231	"C12H18O3"	"O3"	"CHO"	12	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	210.125428253472	211.13287089326	-0.790897272063309	0.79	211	210.896952041386	0.103047958614269	4	0.25	1.5	1	16.1635072647	15	0.9	26	0.7	212.136222384055	105475708.70395	517.0466566	0	0	0	0	0	0	"Unambiguous"
+102876337.353491	213.111839432109	563.203578979673	"C11H16O4"	"O4"	"CHO"	11	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.104562979949	213.11213545176	-1.39563075320022	1.4	213	212.873876848346	0.126123151653616	4	0.363636363636364	1.45454545454545	0	16.3157583845846	15	0.9	24	0.7	214.11522043461	21835123.1925668	402.435970678154	0	0	0	0	0	0	"Unambiguous"
+256425835.41697	213.111838165792	383.59742081807	"C11H16O4"	"O4"	"CHO"	11	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.104561713632	213.11213545176	-1.4016010103743	1.4	213	212.873875583443	0.12612441655665	4	0.363636363636364	1.45454545454545	0	16.3157583845846	15	0.9	24	0.7	214.11522043461	21835123.1925668	402.435970678154	0	0	0	0	0	0	"Unambiguous"
+369287455.442981	213.111838606061	451.465139966507	"C11H16O4"	"O4"	"CHO"	11	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.104562153901	213.11213545176	-1.39952529058745	1.4	213	212.873876023221	0.12612397677924	4	0.363636363636364	1.45454545454545	0	16.3157583845846	15	0.9	24	0.7	214.11522043461	21835123.1925668	402.435970678154	0	0	0	0	0	0	"Unambiguous"
+51511419.6323384	213.111868075664	286.052642021611	"C11H16O4"	"O4"	"CHO"	11	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.104591623504	213.11213545176	-1.26058608134904	1.26	213	212.873905459918	0.126094540082278	4	0.363636363636364	1.45454545454545	0	16.3157583845846	15	0.9	24	0.7	214.11522087698	33722257.5687234	451.354916534779	0	0	0	0	0	0	"Unambiguous"
+357479400.125612	213.148164019479	503.01975245643	"C12H20O3"	"O3"	"CHO"	12	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.140887567319	213.14852095706	-1.68254967305171	1.68	213	212.910160875358	0.0898391246423955	3	0.25	1.66666666666667	0	16.3185572696077	15	0.9	26	0.8	214.151803145384	231430979.134983	315.936221089062	0	0	0	0	0	0	"Unambiguous"
+196053102.490308	213.148582398839	604.581597294876	"C12H20O3"	"O3"	"CHO"	12	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.141305946679	213.14852095706	0.289626665217117	0.29	213	212.910578787551	0.0894212124485136	3	0.25	1.66666666666667	0	16.3185572696077	15	0.9	26	0.8	214.151803145384	231430979.134983	315.936221089062	0	0	0	0	0	0	"Unambiguous"
+402604685.5	213.14816441353	551.015286906425	"C12H20O3"	"O3"	"CHO"	12	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.14088796137	213.14852095706	-1.68069217322399	1.68	213	212.910161268969	0.0898387310313922	3	0.25	1.66666666666667	0	16.3185572696077	15	0.9	26	0.8	214.151803145384	231430979.134983	315.936221089062	0	0	0	0	0	0	"Unambiguous"
+214958513.58256	213.148582398839	633.88662865548	"C12H20O3"	"O3"	"CHO"	12	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	212.141305946679	213.14852095706	0.289626665217117	0.29	213	212.910578787551	0.0894212124485136	3	0.25	1.66666666666667	0	16.3185572696077	15	0.9	26	0.8	214.151803145384	231430979.134983	315.936221089062	0	0	0	0	0	0	"Ambiguous"
+364402262.801052	215.127422324474	568.9799075	"C11H18O4"	"O4"	"CHO"	11	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.120145872314	215.12778551556	-1.69620230976174	1.7	215	214.887209122847	0.112790877152634	3	0.363636363636364	1.63636363636364	-1	16.4708083894923	15	0.9	24	0.8	216.131018714028	46289362.5356973	569.2370733	0	0	0	0	0	0	"Unambiguous"
+322536606.009207	215.127844902766	459.92078759791	"C11H18O4"	"O4"	"CHO"	11	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	214.120568450606	215.12778551556	0.277354046010034	0.28	215	214.887631229285	0.112368770715335	3	0.363636363636364	1.63636363636364	-1	16.4708083894923	15	0.9	24	0.8	216.131018714086	49983568.3243955	536.0999976	0	0	0	0	0	0	"Unambiguous"
+261696479.708267	217.121904200937	483.934822327262	"C14H16O2"	"O2"	"CHO"	14	16	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.114627748777	217.12230620716	-1.86015276793603	1.86	217	216.879463943029	0.120536056970764	7	0.142857142857143	1.14285714285714	5	16.6242330580769	16	1	30	0.5	218.124808268872	79923095.8091652	604.185658700547	0	0	0	0	0	0	"Unambiguous"
+100151094.65069	217.143371876555	565.044227191178	"C11H20O4"	"O4"	"CHO"	11	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.136095424395	217.14343557936	-0.294734689719547	0.29	217	216.900907647649	0.0990923523511356	2	0.363636363636364	1.81818181818182	-2	16.6258583944	15	0.9	24	0.8	218.146855998181	32359639.0163982	495.624864231743	0	0	0	0	0	0	"Unambiguous"
+35026024.3619956	217.143372287694	613.1058911	"C11H20O4"	"O4"	"CHO"	11	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.136095835534	217.14343557936	-0.292832466344037	0.29	217	216.900908058329	0.0990919416712188	2	0.363636363636364	1.81818181818182	-2	16.6258583944	15	0.9	24	0.8	218.146855998181	32359639.0163982	495.624864231743	0	0	0	0	0	0	"Unambiguous"
+79381704.3684601	217.143371475672	490.049602807114	"C11H20O4"	"O4"	"CHO"	11	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.136095023512	217.14343557936	-0.296589461362533	0.3	217	216.900907247213	0.099092752786504	2	0.363636363636364	1.81818181818182	-2	16.6258583944	15	0.9	24	0.8	218.146855998181	32359639.0163982	495.624864231743	0	0	0	0	0	0	"Unambiguous"
+373320204.361832	217.143371475381	494.962712887004	"C11H20O4"	"O4"	"CHO"	11	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	216.136095023221	217.14343557936	-0.29659080778257	0.3	217	216.900907246923	0.0990927530771728	2	0.363636363636364	1.81818181818182	-2	16.6258583944	15	0.9	24	0.8	218.146855998181	32359639.0163982	495.624864231743	0	0	0	0	0	0	"Unambiguous"
+142930545.803395	219.137723457462	629.159432504917	"C14H18O2"	"O2"	"CHO"	14	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.130447005302	219.13795627096	-1.06731316603501	1.07	219	218.893032317764	0.106967682236103	6	0.142857142857143	1.28571428571429	4	16.7792830629846	16	1	30	0.6	220.141054319729	28094604.9967436	629.408585296963	0	0	0	0	0	0	"Unambiguous"
+798267028.720002	219.137723042578	568.306650824725	"C14H18O2"	"O2"	"CHO"	14	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	218.130446590418	219.13795627096	-1.06921516755956	1.07	219	218.893031903343	0.106968096656828	6	0.142857142857143	1.28571428571429	4	16.7792830629846	16	1	30	0.6	220.141054319729	28094604.9967436	629.408585296963	0	0	0	0	0	0	"Unambiguous"
+1537341883.97865	223.074691790747	286.090618560433	"C15H10O2"	"O2"	"CHO"	15	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.067415338587	223.07535601576	-2.99109624878722	2.99	223	222.825604597037	0.174395402963256	11	0.133333333333333	0.666666666666667	9	17.0821599664308	17	1	32	0.3	224.078179612933	48067598.2398847	1291.30607617515	0	0	0	0	0	0	"Unambiguous"
+369321110.808568	223.075114838962	1316.73557732606	"C15H10O2"	"O2"	"CHO"	15	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.067838386802	223.07535601576	-1.08605009960605	1.09	223	222.826027172872	0.17397282712767	11	0.133333333333333	0.666666666666667	9	17.0821599664308	17	1	32	0.3	224.078179612933	48067598.2398847	1291.30607617515	0	0	0	0	0	0	"Unambiguous"
+61093453.7891786	223.075110179914	746.835525336106	"C15H10O2"	"O2"	"CHO"	15	10	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.067833727754	223.07535601576	-1.10703041448764	1.11	223	222.826022519027	0.173977480973349	11	0.133333333333333	0.666666666666667	9	17.0821599664308	17	1	32	0.3	224.078179612933	48067598.2398847	1291.30607617515	0	0	0	0	0	0	"Unambiguous"
+150280660.630162	223.096123660197	547.237941002201	"C12H14O4"	"O4"	"CHO"	12	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.088847208037	223.09648538796	-1.628752490457	1.63	223	222.84701253547	0.152987464530156	6	0.333333333333333	1.16666666666667	2	17.0837853027538	16	0.9	26	0.5	224.09977999784	117259428.793077	351.807599815673	0	0	0	0	0	0	"Unambiguous"
+336141587.056634	223.09656948894	387.715369201086	"C12H14O4"	"O4"	"CHO"	12	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.08929303678	223.09648538796	0.378680929818488	0.38	223	222.847457866396	0.152542133603532	6	0.333333333333333	1.16666666666667	2	17.0837853027538	16	0.9	26	0.5	224.09977999784	117259428.793077	351.807599815673	0	0	0	0	0	0	"Unambiguous"
+77468590.4066219	223.096571677272	658.870826997128	"C12H14O4"	"O4"	"CHO"	12	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.089295225112	223.09648538796	0.388534314187179	0.39	223	222.847460052285	0.152539947715013	6	0.333333333333333	1.16666666666667	2	17.0837853027538	16	0.9	26	0.5	224.09977999784	117259428.793077	351.807599815673	0	0	0	0	0	0	"Unambiguous"
+217207972.7	223.09612279522	430.1608997	"C12H14O4"	"O4"	"CHO"	12	14	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.08884634306	223.09648538796	-1.63264723093578	1.63	223	222.847011671459	0.152988328541312	6	0.333333333333333	1.16666666666667	2	17.0837853027538	16	0.9	26	0.5	224.09977999784	117259428.793077	351.807599815673	0	0	0	0	0	0	"Unambiguous"
+465607637.513339	223.132794410047	512.5560509	"C13H18O3"	"O3"	"CHO"	13	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.125517957887	223.13287089326	-0.344324297730749	0.34	223	222.883642338433	0.116357661567037	5	0.230769230769231	1.38461538461538	2	17.0865841877769	16	0.9	28	0.6	224.136699374646	172473903.621239	477.268029954764	0	0	0	0	0	0	"Unambiguous"
+1086806606.66652	223.169028517018	687.057389855945	"C14H22O2"	"O2"	"CHO"	14	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.161752064858	223.16925639856	-1.02574606062783	1.03	223	222.919835986076	0.0801640139235928	4	0.142857142857143	1.57142857142857	2	17.0893830728	16	0.9	30	0.7	224.17227796171	195363600.938501	653.832443334393	0	0	0	0	0	0	"Unambiguous"
+424645731	223.1690289	727.394929582039	"C14H22O2"	"O2"	"CHO"	14	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.16175244784	223.16925639856	-1.02402217078998	1.02	223	222.919836368631	0.0801636313692313	4	0.142857142857143	1.57142857142857	2	17.0893830728	16	0.9	30	0.7	224.17227796171	195363600.938501	653.832443334393	0	0	0	0	0	0	"Unambiguous"
+250715380.226814	223.169028076179	624.367405208968	"C14H22O2"	"O2"	"CHO"	14	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	222.161751624019	223.16925639856	-1.02773037820641	1.03	223	222.91983554573	0.0801644542703457	4	0.142857142857143	1.57142857142857	2	17.0893830728	16	0.9	30	0.7	224.17227796171	195363600.938501	653.832443334393	0	0	0	0	0	0	"Unambiguous"
+190553481.840196	225.112040005725	548.871701225932	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.104763553565	225.11213545176	-0.42589917987901	0.43	225	224.860677890797	0.139322109202936	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	226.115658150381	147540520.715243	442.141381355271	0	0	0	0	0	0	"Unambiguous"
+560482322.390251	225.112039589733	486.852506484683	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.104763137573	225.11213545176	-0.427755419623417	0.43	225	224.86067747527	0.139322524730431	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	226.115658150381	147540520.715243	442.141381355271	0	0	0	0	0	0	"Unambiguous"
+19919208.8989654	225.11203774345	284.570396094566	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.10476129129	225.11213545176	-0.435993904953246	0.44	225	224.860675631048	0.139324368951861	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	226.115658150381	147540520.715243	442.141381355271	0	0	0	0	0	0	"Unambiguous"
+24538394.431924	225.112040431446	609.516413106735	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.104763979286	225.11213545176	-0.423999527360409	0.42	225	224.860678316043	0.13932168395732	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	226.115658150381	147540520.715243	442.141381355271	0	0	0	0	0	0	"Unambiguous"
+575257772.897549	225.112038668167	396.874135472753	"C12H16O4"	"O4"	"CHO"	12	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.104762216007	225.11213545176	-0.431867632071364	0.43	225	224.860676554733	0.139323445267394	5	0.333333333333333	1.33333333333333	1	17.2388353076615	16	0.9	26	0.6	226.115658150381	147540520.715243	442.141381355271	0	0	0	0	0	0	"Unambiguous"
+132426386.66398	225.148302261493	518.871564259272	"C13H20O3"	"O3"	"CHO"	13	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.141025809333	225.14852095706	-0.975705211593314	0.98	225	224.896899655806	0.103100344193678	4	0.230769230769231	1.53846153846154	1	17.2416341926846	16	0.9	28	0.7	226.151708110935	60332644.3727115	547.410637926999	0	0	0	0	0	0	"Unambiguous"
+177526780.038047	225.1483031034	595.851528804706	"C13H20O3"	"O3"	"CHO"	13	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.14102665124	225.14852095706	-0.97194905936315	0.97	225	224.896900496773	0.103099503226758	4	0.230769230769231	1.53846153846154	1	17.2416341926846	16	0.9	28	0.7	226.151708110935	60332644.3727115	547.410637926999	0	0	0	0	0	0	"Unambiguous"
+95437036.03	225.147849340353	550.744245330032	"C13H20O3"	"O3"	"CHO"	13	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	224.140572888193	225.14852095706	-2.99640845193511	3	225	224.896447240402	0.103552759597903	4	0.230769230769231	1.53846153846154	1	17.2416341926846	16	0.9	28	0.7	226.151708110935	60332644.3727115	547.410637926999	0	0	0	0	0	0	"Unambiguous"
+211827330.899976	227.127382687583	561.322818419133	"C12H18O4"	"O4"	"CHO"	12	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.120106235423	227.12778551556	-1.78147792202387	1.78	227	226.873770223012	0.126229776987714	4	0.333333333333333	1.5	0	17.3938853125692	16	0.9	26	0.7	228.131137648228	233861182.153429	472.31594417426	0	0	0	0	0	0	"Unambiguous"
+756405933.627857	227.127878381111	516.764031262497	"C12H18O4"	"O4"	"CHO"	12	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.120601928951	227.12778551556	0.410690358236463	0.41	227	226.874265363044	0.125734636955542	4	0.333333333333333	1.5	0	17.3938853125692	16	0.9	26	0.7	228.131137648228	233861182.153429	472.31594417426	0	0	0	0	0	0	"Unambiguous"
+1736502024.78627	227.127382267807	483.557496771156	"C12H18O4"	"O4"	"CHO"	12	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	226.120105815647	227.12778551556	-1.78333435467914	1.78	227	226.873769803705	0.126230196295012	4	0.333333333333333	1.5	0	17.3938853125692	16	0.9	26	0.7	228.131137648228	233861182.153429	472.31594417426	0	0	0	0	0	0	"Unambiguous"
+42146840.3824406	229.142936536856	708.5249172346	"C12H20O4"	"O4"	"CHO"	12	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.135660084696	229.14343557936	-2.18748136007402	2.19	229	228.887073486851	0.112926513148949	3	0.333333333333333	1.66666666666667	-1	17.5489353174769	16	0.9	26	0.8	230.146484831408	104291790.708692	505.006859078535	0	0	0	0	0	0	"Unambiguous"
+564408428.366636	229.143400253673	468.145920404257	"C12H20O4"	"O4"	"CHO"	12	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.136123801513	229.14343557936	-0.154844776091731	0.15	229	228.887536685878	0.112463314122294	3	0.333333333333333	1.66666666666667	-1	17.5489353174769	16	0.9	26	0.8	230.146953774896	66260730.4351939	546.526716087939	0	0	0	0	0	0	"Unambiguous"
+1243649593.80114	229.143400253236	493.481628040853	"C12H20O4"	"O4"	"CHO"	12	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.136123801076	229.14343557936	-0.154846691668556	0.15	229	228.887536685441	0.112463314558823	3	0.333333333333333	1.66666666666667	-1	17.5489353174769	16	0.9	26	0.8	230.146953774896	66260730.4351939	546.526716087939	0	0	0	0	0	0	"Unambiguous"
+212471690.426383	229.143401110495	620.693822928112	"C12H20O4"	"O4"	"CHO"	12	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	228.136124658335	229.14343557936	-0.151089026614534	0.15	229	228.887537541743	0.112462458257028	3	0.333333333333333	1.66666666666667	-1	17.5489353174769	16	0.9	26	0.8	230.146953774896	66260730.4351939	546.526716087939	0	0	0	0	0	0	"Unambiguous"
+64658787.7559987	231.137308283031	610.517428778282	"C15H18O2"	"O2"	"CHO"	15	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.130031830871	231.13795627096	-2.81574692292229	2.82	231	230.879218299717	0.120781700282635	7	0.133333333333333	1.2	5	17.7023599860615	17	1	32	0.6	232.141187744448	53464066.6976189	633.275741800842	0	0	0	0	0	0	"Unambiguous"
+237397642.22715	231.138251377798	610.106066121074	"C15H18O2"	"O2"	"CHO"	15	18	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.130974925638	231.13795627096	1.28234297064746	1.28	231	230.880160341416	0.119839658583658	7	0.133333333333333	1.2	5	17.7023599860615	17	1	32	0.6	232.141187744448	53464066.6976189	633.275741800842	0	0	0	0	0	0	"Unambiguous"
+534113303.089122	231.159000073417	509.580590707142	"C12H22O4"	"O4"	"CHO"	12	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.151723621257	231.15908564316	-0.371797098343318	0.37	231	230.900885868856	0.0991141311435513	2	0.333333333333333	1.83333333333333	-2	17.7039853223846	16	0.9	26	0.8	232.16207296497	22896274.8977383	659.505233202043	0	0	0	0	0	0	"Unambiguous"
+414523543.237681	231.159000500937	527.943566113733	"C12H22O4"	"O4"	"CHO"	12	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.151724048777	231.15908564316	-0.369939540388151	0.37	231	230.900886295899	0.0991137041009438	2	0.333333333333333	1.83333333333333	-2	17.7039853223846	16	0.9	26	0.8	232.16207296497	22896274.8977383	659.505233202043	0	0	0	0	0	0	"Unambiguous"
+174625151.587251	231.15900139472	661.136279833744	"C12H22O4"	"O4"	"CHO"	12	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	230.15172494256	231.15908564316	-0.366056087673911	0.37	231	230.900887188684	0.0991128113159334	2	0.333333333333333	1.83333333333333	-2	17.7039853223846	16	0.9	26	0.8	232.16207296497	22896274.8977383	659.505233202043	0	0	0	0	0	0	"Unambiguous"
+581830230.564482	233.117227402223	586.886487189075	"C14H16O3"	"O3"	"CHO"	14	16	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.109950950063	233.11722082946	0.0283174546022451	0.03	233	232.856926623533	0.143073376466901	7	0.214285714285714	1.14285714285714	4	17.8546111059462	17	1	30	0.5	234.120588943507	157361675.35772	582.505616514467	0	0	0	0	0	0	"Unambiguous"
+250267509.453295	233.1530547	620.309660231013	"C15H20O2"	"O2"	"CHO"	15	20	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	232.14577824784	233.15360633476	-2.37624291152012	2.38	233	232.892713916229	0.107286083770646	6	0.133333333333333	1.33333333333333	4	17.8574099909692	17	1	32	0.6	234.156164726288	25954922.9825492	558.357451463343	0	0	0	0	0	0	"Unambiguous"
+339219570.310063	235.132859580415	591.737792779042	"C14H18O3"	"O3"	"CHO"	14	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.125583128255	235.13287089326	-0.0483195593267931	0.05	235	234.870308128828	0.1296918711719	6	0.214285714285714	1.28571428571429	3	18.0096611108538	17	0.9	30	0.6	236.136126311307	175257460.728537	565.762183524786	0	0	0	0	0	0	"Unambiguous"
+458672862.594474	235.132859135384	546.77651048606	"C14H18O3"	"O3"	"CHO"	14	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.125582683224	235.13287089326	-0.0502203811336931	0.05	235	234.870307684294	0.129692315705967	6	0.214285714285714	1.28571428571429	3	18.0096611108538	17	0.9	30	0.6	236.136126311307	175257460.728537	565.762183524786	0	0	0	0	0	0	"Unambiguous"
+458300072.15752	235.132374876127	479.666804533315	"C14H18O3"	"O3"	"CHO"	14	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.125098423967	235.13287089326	-2.11859871641958	2.12	235	234.869823965765	0.130176034234751	6	0.214285714285714	1.28571428571429	3	18.0096611108538	17	0.9	30	0.6	236.136126311307	175257460.728537	565.762183524786	0	0	0	0	0	0	"Unambiguous"
+30892613.2503955	235.169152124204	767.981520705281	"C15H22O2"	"O2"	"CHO"	15	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.161875672044	235.16925639856	-0.445308851860024	0.45	235	234.906560148038	0.0934398519615058	5	0.133333333333333	1.46666666666667	3	18.0124599958769	17	0.9	32	0.7	236.172650875728	26745220.3721853	627.240820631383	0	0	0	0	0	0	"Unambiguous"
+180099870.762432	235.169150288447	565.638485986743	"C15H22O2"	"O2"	"CHO"	15	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.161873836287	235.16925639856	-0.453148547440606	0.45	235	234.906558314331	0.0934416856686653	5	0.133333333333333	1.46666666666667	3	18.0124599958769	17	0.9	32	0.7	236.172650875728	26745220.3721853	627.240820631383	0	0	0	0	0	0	"Unambiguous"
+434140757.473997	235.169150733663	620.790231041246	"C15H22O2"	"O2"	"CHO"	15	22	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	234.161874281503	235.16925639856	-0.451247229424445	0.45	235	234.90655875905	0.0934412409498009	5	0.133333333333333	1.46666666666667	3	18.0124599958769	17	0.9	32	0.7	236.172650875728	26745220.3721853	627.240820631383	0	0	0	0	0	0	"Unambiguous"
+182593981.287587	237.111528356828	452.47264370071	"C13H16O4"	"O4"	"CHO"	13	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.104251904668	237.11213545176	-2.57130029260439	2.57	237	236.846767506009	0.153232493991226	6	0.307692307692308	1.23076923076923	2	18.1619122307385	17	0.9	28	0.6	238.115175445505	20532496.7477637	757.932664498796	0	0	0	0	0	0	"Unambiguous"
+192602963.517426	237.112020584482	758.025571126129	"C13H16O4"	"O4"	"CHO"	13	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.104744132322	237.11213545176	-0.48650982606304	0.49	237	236.847259184037	0.152740815963028	6	0.307692307692308	1.23076923076923	2	18.1619122307385	17	0.9	28	0.6	238.115175445505	20532496.7477637	757.932664498796	0	0	0	0	0	0	"Unambiguous"
+43580873.3257157	237.112019670828	602.637547541149	"C13H16O4"	"O4"	"CHO"	13	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.104743218668	237.11213545176	-0.490379525687117	0.49	237	236.847258271403	0.152741728596823	6	0.307692307692308	1.23076923076923	2	18.1619122307385	17	0.9	28	0.6	238.115175445505	20532496.7477637	757.932664498796	0	0	0	0	0	0	"Unambiguous"
+144129486.03793	237.112018303045	432.554855691536	"C13H16O4"	"O4"	"CHO"	13	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.104741850885	237.11213545176	-0.496172648094404	0.5	237	236.847256905147	0.152743094852553	6	0.307692307692308	1.23076923076923	2	18.1619122307385	17	0.9	28	0.6	238.115175445505	20532496.7477637	757.932664498796	0	0	0	0	0	0	"Unambiguous"
+239078353.352769	237.148280862976	725.8844788	"C14H20O3"	"O3"	"CHO"	14	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.141004410816	237.14852095706	-1.01674033531451	1.02	237	236.88347897398	0.11652102601991	5	0.214285714285714	1.42857142857143	2	18.1647111157615	17	0.9	30	0.7	238.151171996838	325538564.298994	613.042950332841	0	0	0	0	0	0	"Unambiguous"
+165589096.722478	237.148278581511	454.105344408654	"C14H20O3"	"O3"	"CHO"	14	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.141002129351	237.14852095706	-1.02640179738258	1.03	237	236.883476695063	0.116523304937431	5	0.214285714285714	1.42857142857143	2	18.1647111157615	17	0.9	30	0.7	238.151171996838	325538564.298994	613.042950332841	0	0	0	0	0	0	"Unambiguous"
+1334268159.7447	237.148279500834	581.354739068333	"C14H20O3"	"O3"	"CHO"	14	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.141003048674	237.14852095706	-1.02250868290485	1.02	237	236.883477613359	0.116522386640924	5	0.214285714285714	1.42857142857143	2	18.1647111157615	17	0.9	30	0.7	238.151171996838	325538564.298994	613.042950332841	0	0	0	0	0	0	"Unambiguous"
+428664129.83976	237.148279949358	628.662688170864	"C14H20O3"	"O3"	"CHO"	14	20	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.141003497198	237.14852095706	-1.02060929040945	1.02	237	236.883478061382	0.11652193861778	5	0.214285714285714	1.42857142857143	2	18.1647111157615	17	0.9	30	0.7	238.151171996838	325538564.298994	613.042950332841	0	0	0	0	0	0	"Unambiguous"
+443940992.773053	237.184549014468	642.9363741	"C15H24O2"	"O2"	"CHO"	15	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	236.177272562308	237.18490646236	-1.51347285933283	1.51	237	236.91970662813	0.0802933718698853	4	0.133333333333333	1.6	2	18.1675100007846	17	0.9	32	0.8	238.187671383933	22776951.8277788	677.748399800542	0	0	0	0	0	0	"Unambiguous"
+486102792.19533	239.127684826415	469.055430869911	"C13H18O4"	"O4"	"CHO"	13	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.120408374255	239.12778551556	-0.422849707372138	0.42	239	238.86067271727	0.139327282729681	5	0.307692307692308	1.38461538461538	1	18.3169622356462	17	0.9	28	0.6	240.131188700827	127012279.738338	473.957740538802	0	0	0	0	0	0	"Unambiguous"
+1697609722	239.16391307677	565.29760615897	"C14H22O3"	"O3"	"CHO"	14	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	238.15663662461	239.16417102086	-1.08308587854225	1.08	239	238.896860514837	0.103139485162671	4	0.214285714285714	1.57142857142857	1	18.3197611206692	17	0.9	30	0.7	240.167145765471	97915079.6515889	639.028499519372	0	0	0	0	0	0	"Unambiguous"
+192739440.76694	241.085758897611	622.229932418977	"C15H12O3"	"O3"	"CHO"	15	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.078482445451	241.08592070186	-0.673963977819916	0.67	241	240.816560385466	0.183439614534194	10	0.2	0.8	7	18.4675880192077	18	1	32	0.4	242.088989326869	22392646.5566887	622.4309398	0	0	0	0	0	0	"Unambiguous"
+738506528.060686	241.143534662207	514.924449997774	"C13H20O4"	"O4"	"CHO"	13	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.136258210047	241.14343557936	0.41261093899451	0.41	241	240.874271637127	0.125728362873076	4	0.307692307692308	1.53846153846154	0	18.4720122405538	17	0.9	28	0.7	242.1471261	78122059.6453359	507.444820926998	0	0	0	0	0	0	"Unambiguous"
+97130852.6769282	241.179216290616	568.54751057257	"C14H24O3"	"O3"	"CHO"	14	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.171939838456	241.17982108466	-2.51817112524035	2.52	241	240.909913423111	0.0900865768891208	3	0.214285714285714	1.71428571428571	0	18.4748111255769	17	0.9	30	0.8	242.182525450987	35668668.1399808	597.505418200907	0	0	0	0	0	0	"Unambiguous"
+179647321.21814	241.179719830955	688.998404324037	"C14H24O3"	"O3"	"CHO"	14	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.172443378795	241.17982108466	-0.421587520919985	0.42	241	240.910416401192	0.0895835988077636	3	0.214285714285714	1.71428571428571	0	18.4748111255769	17	0.9	30	0.8	242.182525450987	35668668.1399808	597.505418200907	0	0	0	0	0	0	"Unambiguous"
+333370051.738289	241.179719354861	605.63648494503	"C14H24O3"	"O3"	"CHO"	14	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	240.172442902701	241.17982108466	-0.423569822514322	0.42	241	240.91041592563	0.0895840743701797	3	0.214285714285714	1.71428571428571	0	18.4748111255769	17	0.9	30	0.8	242.182525450987	35668668.1399808	597.505418200907	0	0	0	0	0	0	"Unambiguous"
+797269832.160347	243.159055063238	557.775717628501	"C13H22O4"	"O4"	"CHO"	13	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	242.151778611078	243.15908564316	-0.126284110738758	0.13	243	242.887541490072	0.112458509927706	3	0.307692307692308	1.69230769230769	-1	18.6270622454615	17	0.9	28	0.8	244.1624692	52813814.2842618	518.711172401802	0	0	0	0	0	0	"Unambiguous"
+1410775456.60631	245.09536624038	204.316379629953	"C18H12O"	"O"	"CHO"	18	12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	244.08808978822	245.09609145726	-2.971127680292	2.97	245	244.821690564856	0.178309435144286	13	0.0555555555555556	0.666666666666667	12	18.7760626927	19	1	38	0.3	246.098449873408	121610947.245621	203.820696481707	0	0	0	0	0	0	"Unambiguous"
+301072914.512492	247.153939180702	517.432167649803	"C12H22O5"	"O5"	"CHO"	12	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.146662728542	247.15400026546	-0.248164071530054	0.25	247	246.877964884242	0.12203511575791	2	0.416666666666667	1.83333333333333	-3	18.9343633702538	17	0.9	26	0.8	248.157026298454	182769477.81301	510.729883636566	0	0	0	0	0	0	"Unambiguous"
+61600349.822734	247.153419195496	656.38519288684	"C12H22O5"	"O5"	"CHO"	12	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.146142743336	247.15400026546	-2.36067060618262	2.36	247	246.877445479656	0.122554520343755	2	0.416666666666667	1.83333333333333	-3	18.9343633702538	17	0.9	26	0.8	248.157026298454	182769477.81301	510.729883636566	0	0	0	0	0	0	"Unambiguous"
+397045300.3	247.153417281641	429.661411875162	"C12H22O5"	"O5"	"CHO"	12	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	246.146140829481	247.15400026546	-2.36844590392783	2.37	247	246.877443567938	0.122556432061742	2	0.416666666666667	1.83333333333333	-3	18.9343633702538	17	0.9	26	0.8	248.157026298454	182769477.81301	510.729883636566	0	0	0	0	0	0	"Unambiguous"
+61076227.28	249.075478055744	358.943660584986	"C13H12O5"	"O5"	"CHO"	13	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.068201603584	249.07574994646	-1.09603211642579	1.1	249	248.79735815181	0.202641848190012	8	0.384615384615385	0.923076923076923	3	19.0821902687923	18	0.9	28	0.4	250.078091776384	66706214.9403782	376.512218872566	0	0	0	0	0	0	"Unambiguous"
+210665589.403899	249.075478055657	368.116542908621	"C13H12O5"	"O5"	"CHO"	13	12	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.068201603497	249.07574994646	-1.09603246713156	1.1	249	248.797358151723	0.202641848276926	8	0.384615384615385	0.923076923076923	3	19.0821902687923	18	0.9	28	0.4	250.078091776384	66706214.9403782	376.512218872566	0	0	0	0	0	0	"Unambiguous"
+66495186.8570061	249.111879997877	508.436744094976	"C14H16O4"	"O4"	"CHO"	14	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.104603545717	249.11213545176	-1.02962169725591	1.03	249	248.833719447209	0.166280552790795	7	0.285714285714286	1.14285714285714	3	19.0849891538154	18	0.9	30	0.5	250.11524500073	26505352.3916529	555.489579546749	0	0	0	0	0	0	"Unambiguous"
+29565929.3019238	249.111880929162	642.200942893089	"C14H16O4"	"O4"	"CHO"	14	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.104604477002	249.11213545176	-1.02586809517363	1.03	249	248.833720377454	0.166279622545659	7	0.285714285714286	1.14285714285714	3	19.0849891538154	18	0.9	30	0.5	250.11524500073	26505352.3916529	555.489579546749	0	0	0	0	0	0	"Unambiguous"
+88093197.6472772	249.111880458264	548.24221	"C14H16O4"	"O4"	"CHO"	14	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.104604006104	249.11213545176	-1.02776607877711	1.03	249	248.833719907082	0.166280092917845	7	0.285714285714286	1.14285714285714	3	19.0849891538154	18	0.9	30	0.5	250.11524500073	26505352.3916529	555.489579546749	0	0	0	0	0	0	"Unambiguous"
+37134851.8323373	249.111881421301	699.206301250018	"C14H16O4"	"O4"	"CHO"	14	16	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.104604969141	249.11213545176	-1.02388449832106	1.02	249	248.833720869044	0.166279130956184	7	0.285714285714286	1.14285714285714	3	19.0849891538154	18	0.9	30	0.5	250.11524500073	26505352.3916529	555.489579546749	0	0	0	0	0	0	"Unambiguous"
+135382521.650545	249.184708192318	777.4562529	"C16H24O2"	"O2"	"CHO"	16	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.177431740158	249.18490646236	-0.798904399225861	0.8	249	248.906466321038	0.0935336789623307	5	0.125	1.5	3	19.0905869238615	18	0.9	34	0.7	250.187982175617	28692749.1713585	777.331353944728	0	0	0	0	0	0	"Unambiguous"
+237386249.1	249.184706718958	633.945345149303	"C16H24O2"	"O2"	"CHO"	16	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.177430266798	249.18490646236	-0.804841124263239	0.8	249	248.906464849323	0.0935351506771269	5	0.125	1.5	3	19.0905869238615	18	0.9	34	0.7	250.187982175617	28692749.1713585	777.331353944728	0	0	0	0	0	0	"Unambiguous"
+36236197.5540583	249.184709150717	928.167447296722	"C16H24O2"	"O2"	"CHO"	16	24	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	248.177432698557	249.18490646236	-0.795042646952411	0.8	249	248.906467278367	0.0935327216334656	5	0.125	1.5	3	19.0905869238615	18	0.9	34	0.7	250.187982175617	28692749.1713585	777.331353944728	0	0	0	0	0	0	"Unambiguous"
+208192177.830468	251.070224539155	747.568686924345	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.062948086995	251.07027063806	-0.184349202348827	0.18	251	250.789877283477	0.210122716522619	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+466460348.57987	251.070226500788	961.6852066	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.062950048628	251.07027063806	-0.176504644092421	0.18	251	250.78987924292	0.210120757079977	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+148109951.382371	251.07022746611	1112.40566460904	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.06295101395	251.07027063806	-0.172644327503547	0.17	251	250.789880207164	0.210119792835883	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+181921523.042685	251.07022698547	1029.92641411403	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.06295053331	251.07027063806	-0.174566403897916	0.17	251	250.789879727061	0.210120272939207	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+453647203.406834	251.07022978286	1319.18346466905	"C16H10O3"	"O3"	"CHO"	16	10	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.0629533307	251.07027063806	-0.163379658874828	0.16	251	250.789882521327	0.210117478672771	12	0.1875	0.625	9	19.2356149373769	19	1	34	0.3	252.073640561652	23652225.4463729	748.080211978365	0	0	0	0	0	0	"Unambiguous"
+694959353.842077	251.1273553	751.243763024094	"C14H18O4"	"O4"	"CHO"	14	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.12007884784	251.12778551556	-1.72003608014639	1.72	251	250.846944251604	0.153055748395559	6	0.285714285714286	1.28571428571429	2	19.2400391587231	18	0.9	30	0.6	252.130576939025	93611419.6310876	751.401632021978	0	0	0	0	0	0	"Unambiguous"
+1189442731.60091	251.127353385822	514.785961885836	"C14H18O4"	"O4"	"CHO"	14	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.120076933662	251.12778551556	-1.72768912949784	1.73	251	250.846942339564	0.153057660436161	6	0.285714285714286	1.28571428571429	2	19.2400391587231	18	0.9	30	0.6	252.130576939025	93611419.6310876	751.401632021978	0	0	0	0	0	0	"Unambiguous"
+71290299.71	251.12788884478	677.891250549117	"C14H18O4"	"O4"	"CHO"	14	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.12061239262	251.12778551556	0.413117571590388	0.41	251	250.847477200624	0.152522799376442	6	0.285714285714286	1.28571428571429	2	19.2400391587231	18	0.9	30	0.6	252.130576939025	93611419.6310876	751.401632021978	0	0	0	0	0	0	"Unambiguous"
+337907035.7	251.127888348775	589.923095102017	"C14H18O4"	"O4"	"CHO"	14	18	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.120611896615	251.12778551556	0.411134509188024	0.41	251	250.847476705172	0.152523294827574	6	0.285714285714286	1.28571428571429	2	19.2400391587231	18	0.9	30	0.6	252.130576939025	93611419.6310876	751.401632021978	0	0	0	0	0	0	"Unambiguous"
+72291753.477008	251.163670915028	502.956211137623	"C15H22O3"	"O3"	"CHO"	15	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.156394462868	251.16417102086	-1.99917268985727	2	251	250.883219316292	0.116780683707731	5	0.2	1.46666666666667	2	19.2428380437462	18	0.9	32	0.7	252.167111845647	41433447.419306	661.194772141805	0	0	0	0	0	0	"Unambiguous"
+206524534.932101	251.163671854453	592.574650663625	"C15H22O3"	"O3"	"CHO"	15	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.156395402293	251.16417102086	-1.99541733159957	2	251	250.883220254668	0.116779745331684	5	0.2	1.46666666666667	2	19.2428380437462	18	0.9	32	0.7	252.167111845647	41433447.419306	661.194772141805	0	0	0	0	0	0	"Unambiguous"
+262903263.219349	251.16367185425	642.653919033568	"C15H22O3"	"O3"	"CHO"	15	22	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.15639540209	251.16417102086	-1.99541814315857	2	251	250.883220254466	0.116779745534473	5	0.2	1.46666666666667	2	19.2428380437462	18	0.9	32	0.7	252.167111845647	41433447.419306	661.194772141805	0	0	0	0	0	0	"Unambiguous"
+146421304.558501	251.19999822998	747.802491605002	"C16H26O2"	"O2"	"CHO"	16	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.19272177782	251.20055652616	-2.23146451277992	2.23	251	250.91950606784	0.0804939321601239	4	0.125	1.625	2	19.2456369287692	18	0.9	34	0.8	252.203655640725	28160814.9018621	788.9232098	0	0	0	0	0	0	"Unambiguous"
+36207660.5482196	251.200533002989	783.007924972806	"C16H26O2"	"O2"	"CHO"	16	26	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	250.193256550829	251.20055652616	-0.0940200040535376	0.09	251	250.920040243717	0.0799597562834435	4	0.125	1.625	2	19.2456369287692	18	0.9	34	0.8	252.203655640725	28160814.9018621	788.9232098	0	0	0	0	0	0	"Unambiguous"
+2183864072.10901	253.143063541297	496.369103079302	"C14H20O4"	"O4"	"CHO"	14	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	252.135787089137	253.14343557936	-1.47554643987983	1.48	253	252.860401735072	0.139598264928281	5	0.285714285714286	1.42857142857143	1	19.3950891636308	18	0.9	30	0.7	254.1464384	60406195.8433182	517.311734490556	0	0	0	0	0	0	"Unambiguous"
+1328869635.95711	255.158526297006	570.612438389129	"C14H22O4"	"O4"	"CHO"	14	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.151249844846	255.15908564316	-2.20083967459278	2.2	255	254.873614007062	0.126385992937628	4	0.285714285714286	1.57142857142857	0	19.5501391685385	18	0.9	30	0.7	256.1623665573	338466688.01618	574.516150917581	0	0	0	0	0	0	"Unambiguous"
+817828095.727246	255.159072759181	473.960462554379	"C14H22O4"	"O4"	"CHO"	14	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.151796307021	255.15908564316	-0.0506940309382159	0.05	255	254.874159859053	0.12584014094719	4	0.285714285714286	1.57142857142857	0	19.5501391685385	18	0.9	30	0.7	256.1623665573	338466688.01618	574.516150917581	0	0	0	0	0	0	"Unambiguous"
+170791551.615104	255.159073713115	629.662543549788	"C14H22O4"	"O4"	"CHO"	14	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	254.151797260955	255.15908564316	-0.0469406281914921	0.05	255	254.874160811922	0.125839188078345	4	0.285714285714286	1.57142857142857	0	19.5501391685385	18	0.9	30	0.7	256.1623665573	338466688.01618	574.516150917581	0	0	0	0	0	0	"Unambiguous"
+378678867.681592	257.13838611496	446.653165114846	"C13H20O5"	"O5"	"CHO"	13	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.1311096628	257.13835020166	0.140214517648256	0.14	257	256.851263095856	0.148736904143618	4	0.384615384615385	1.53846153846154	-1	19.7023902884231	18	0.9	28	0.7	258.141726302479	58295356.8293471	490.087599855741	0	0	0	0	0	0	"Unambiguous"
+21509397.9260232	257.138937840479	239.640818650313	"C13H20O5"	"O5"	"CHO"	13	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.131661388319	257.13835020166	2.29428418114316	2.29	257	256.851814205314	0.148185794686242	4	0.384615384615385	1.53846153846154	-1	19.7023902884231	18	0.9	28	0.7	258.141726302479	58295356.8293471	490.087599855741	0	0	0	0	0	0	"Unambiguous"
+33309338.9035295	257.137835278857	737.674541340958	"C13H20O5"	"O5"	"CHO"	13	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.130558826697	257.13835020166	-2.01039190858426	2.01	257	256.850712874822	0.149287125178091	4	0.384615384615385	1.53846153846154	-1	19.7023902884231	18	0.9	28	0.7	258.141726302479	58295356.8293471	490.087599855741	0	0	0	0	0	0	"Unambiguous"
+999760049.481967	257.174356613731	589.3280974	"C14H24O4"	"O4"	"CHO"	14	24	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	256.167080161571	257.17473570696	-1.47986708040437	1.48	257	256.887193429647	0.112806570352859	3	0.285714285714286	1.71428571428571	-1	19.7051891734462	18	0.9	30	0.8	258.177350348509	124689398.776335	606.3126606	0	0	0	0	0	0	"Unambiguous"
+153439582.197217	259.133011295942	632.90644654829	"C16H18O3"	"O3"	"CHO"	16	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.125734843782	259.13287089326	0.543931360229132	0.54	259	258.843661060542	0.156338939457783	8	0.1875	1.125	5	19.8558149570077	19	1	34	0.5	260.136209281779	24355079.0242947	635.055315585797	0	0	0	0	0	0	"Unambiguous"
+219456747.855356	259.133011296349	640.240861487264	"C16H18O3"	"O3"	"CHO"	16	18	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.125734844189	259.13287089326	0.543932936974891	0.54	259	258.843661060949	0.156338939051238	8	0.1875	1.125	5	19.8558149570077	19	1	34	0.5	260.136209281779	24355079.0242947	635.055315585797	0	0	0	0	0	0	"Unambiguous"
+36709400.2488226	259.19011744636	752.6198606195	"C14H26O4"	"O4"	"CHO"	14	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.1828409942	259.19038577076	-1.03928053066403	1.04	259	258.900703445722	0.0992965542776005	2	0.285714285714286	1.85714285714286	-2	19.8602391783538	18	0.9	30	0.9	260.193646898395	43061888.27	594.275606365991	0	0	0	0	0	0	"Unambiguous"
+75906534.0897517	259.190116960424	658.793956061143	"C14H26O4"	"O4"	"CHO"	14	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.182840508264	259.19038577076	-1.04116267153227	1.04	259	258.900702960329	0.0992970396709438	2	0.285714285714286	1.85714285714286	-2	19.8602391783538	18	0.9	30	0.9	260.193646898395	43061888.27	594.275606365991	0	0	0	0	0	0	"Unambiguous"
+64656288.9718862	259.190675905738	550.497243356705	"C14H26O4"	"O4"	"CHO"	14	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.183399453578	259.19038577076	1.12375535613766	1.12	259	258.90126128152	0.0987387184803197	2	0.285714285714286	1.85714285714286	-2	19.8602391783538	18	0.9	30	0.9	260.193646898395	43061888.27	594.275606365991	0	0	0	0	0	0	"Unambiguous"
+83873500.2786707	259.190116448349	594.686245220799	"C14H26O4"	"O4"	"CHO"	14	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	258.182839996189	259.19038577076	-1.04314605490505	1.04	259	258.900702448826	0.0992975511741747	2	0.285714285714286	1.85714285714286	-2	19.8602391783538	18	0.9	30	0.9	260.193646898395	43061888.27	594.275606365991	0	0	0	0	0	0	"Unambiguous"
+425101584.747302	265.1427297	584.2984899	"C15H20O4"	"O4"	"CHO"	15	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.13545324784	265.14343557936	-2.6724142909198	2.67	265	264.846668959342	0.153331040658088	6	0.266666666666667	1.33333333333333	2	20.3181660867077	19	0.9	32	0.6	266.14610143058	31919885.9936052	605.965387703099	0	0	0	0	0	0	"Unambiguous"
+94682228.5801042	265.1427276	301.106242365721	"C15H20O4"	"O4"	"CHO"	15	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.13545114784	265.14343557936	-2.68036477852145	2.68	265	264.846666861687	0.153333138313258	6	0.266666666666667	1.33333333333333	2	20.3181660867077	19	0.9	32	0.6	266.14610143058	31919885.9936052	605.965387703099	0	0	0	0	0	0	"Unambiguous"
+486996218.432856	265.164165806035	465.583916152101	"C12H24O6"	"O6"	"CHO"	12	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.156889353875	265.16456495156	-1.51101690362597	1.51	265	264.868081129629	0.131918870370669	1	0.5	2	-5	20.3197914230308	18	0.9	26	0.9	266.167659380434	55309200.6293504	475.593352318962	0	0	0	0	0	0	"Unambiguous"
+537810415.31078	265.179232828615	629.192199099543	"C16H24O3"	"O3"	"CHO"	16	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.171956376455	265.17982108466	-2.22679217372873	2.23	265	264.883131328237	0.116868671762631	5	0.1875	1.5	2	20.3209649717308	19	0.9	34	0.7	266.182811998121	30829305.143206	669.158449432305	0	0	0	0	0	0	"Unambiguous"
+38845257.8417397	265.179233850107	742.968758919951	"C16H24O3"	"O3"	"CHO"	16	24	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	264.171957397947	265.17982108466	-2.22292539594025	2.22	265	264.883132348589	0.116867651411269	5	0.1875	1.5	2	20.3209649717308	19	0.9	34	0.7	266.182811998121	30829305.143206	669.158449432305	0	0	0	0	0	0	"Unambiguous"
+324530391.139796	269.086936878584	199.1424621	"C9H16O9"	"O9"	"CHO"	9	16	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.079660426424	269.08670856326	0.85166970019141	0.85	269	268.786472000954	0.213527999045652	2	1	1.77777777777778	-7	20.6214947777769	18	0.9	20	0.8	270.090188513168	38407228.1044401	299.754199411796	0	0	0	0	0	0	"Unambiguous"
+62425641.260717	307.189947923199	649.125723266292	"C18H26O4"	"O4"	"CHO"	18	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.182671471039	307.19038577076	-1.43002070915603	1.43	307	306.84693688304	0.153063116959572	6	0.222222222222222	1.44444444444444	2	23.5525468706615	22	0.9	38	0.7	308.1930418	23624912.8909964	663.59557732405	0	0	0	0	0	0	"Unambiguous"
+165887513.645381	307.189946735382	560.486995623298	"C18H26O4"	"O4"	"CHO"	18	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.182670283222	307.19038577076	-1.43390015360831	1.43	307	306.84693569655	0.153064303450208	6	0.222222222222222	1.44444444444444	2	23.5525468706615	22	0.9	38	0.7	308.1930418	23624912.8909964	663.59557732405	0	0	0	0	0	0	"Unambiguous"
+606773041.681659	273.169493302542	629.9157658476	"C14H24O5"	"O5"	"CHO"	14	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.162216850382	273.16965032926	-0.576960019716186	0.58	273	272.864469805937	0.13553019406254	3	0.357142857142857	1.71428571428571	-2	20.9355672213154	19	0.9	30	0.8	274.172510978677	145163072.320126	628.894614458598	0	0	0	0	0	0	"Unambiguous"
+1004599315.0008	273.16949228118	507.71701928505	"C14H24O5"	"O5"	"CHO"	14	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	272.16221582902	273.16965032926	-0.580712791083919	0.58	273	272.864468785716	0.135531214284072	3	0.357142857142857	1.71428571428571	-2	20.9355672213154	19	0.9	30	0.8	274.172510978677	145163072.320126	628.894614458598	0	0	0	0	0	0	"Unambiguous"
+552925389.244434	277.143094912085	630.265563218587	"C16H20O4"	"O4"	"CHO"	16	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.135818459925	277.14343557936	-1.23369462497646	1.23	277	276.833634456425	0.166365543575239	7	0.25	1.25	3	21.2412430097846	20	0.9	34	0.6	278.146309979218	131280664.687718	615.9269085	0	0	0	0	0	0	"Unambiguous"
+297486282.935162	277.215548404996	645.754814446076	"C18H28O2"	"O2"	"CHO"	18	28	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	276.208271952836	277.21620658996	-2.38292995111276	2.38	277	276.906007047118	0.0939929528816492	5	0.111111111111111	1.55555555555556	3	21.2468407798308	20	0.9	38	0.7	278.21853290475	41699693.6421924	647.659472722709	0	0	0	0	0	0	"Unambiguous"
+782086104.435097	279.101165261479	747.897892412424	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093888809319	279.10157076566	-1.458155670672	1.46	279	278.789518406974	0.210481593025918	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	280.104347815561	551726059.142236	975.547313743182	0	0	0	0	0	0	"Unambiguous"
+316797607.878269	279.101170038209	1290.44975557328	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093893586049	279.10157076566	-1.44097896515126	1.44	279	278.78952317837	0.210476821629697	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	280.104347815561	551726059.142236	975.547313743182	0	0	0	0	0	0	"Unambiguous"
+1102947522.07969	279.101165261479	747.999483421434	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093888809319	279.10157076566	-1.458155670672	1.46	279	278.789518406974	0.210481593025918	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	280.104347815561	551726059.142236	975.547313743182	0	0	0	0	0	0	"Ambiguous"
+699143201.455643	279.101167980934	1010.50645534574	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093891528774	279.10157076566	-1.44837674696598	1.45	279	278.789521123392	0.21047887660751	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	280.104347815561	551726059.142236	975.547313743182	0	0	0	0	0	0	"Unambiguous"
+132299898.306937	279.101169027467	1140.30652090727	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.093892575307	279.10157076566	-1.44461350537669	1.44	279	278.789522168757	0.210477831243111	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	280.104347815561	551726059.142236	975.547313743182	0	0	0	0	0	0	"Unambiguous"
+157371231.862599	279.101794721044	1158.5921873183	"C18H14O3"	"O3"	"CHO"	18	14	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.094518268884	279.10157076566	0.805321102319574	0.81	279	278.790147163679	0.209852836321147	12	0.166666666666667	0.777777777777778	9	21.3918687933462	21	1	38	0.4	280.104980547009	517650650.167541	1319.41470464764	0	0	0	0	0	0	"Unambiguous"
+179370500.428899	279.158736905384	635.138223557495	"C16H22O4"	"O4"	"CHO"	16	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.151460453224	279.15908564316	-1.2537693507905	1.25	279	278.847025765867	0.152974234132842	6	0.25	1.375	2	21.3962930146923	20	0.9	34	0.6	280.162229620757	312356357.976981	794.089549310948	0	0	0	0	0	0	"Unambiguous"
+1828764120.85803	279.15873855666	794.3927224	"C16H22O4"	"O4"	"CHO"	16	22	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	278.1514621045	279.15908564316	-1.24783273596773	1.25	279	278.847027415299	0.152972584700649	6	0.25	1.375	2	21.3962930146923	20	0.9	34	0.6	280.162229620757	312356357.976981	794.089549310948	0	0	0	0	0	0	"Unambiguous"
+443461565.382374	283.117144416716	584.28664140093	"C14H18O6"	"O6"	"CHO"	14	18	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.109867964556	283.11761476016	-1.66723499399436	1.67	283	282.801013284009	0.198986715990827	6	0.428571428571429	1.28571428571429	0	21.7007952544615	20	0.9	30	0.6	284.120866323344	38035541.8573837	605.417727071558	0	0	0	0	0	0	"Unambiguous"
+60432607.8905488	283.153584998678	527.372104784844	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146308546518	283.15400026546	-1.47181362796731	1.47	283	282.837413176092	0.162586823908157	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	284.156859192131	99062109.2	750.468279860752	0	0	0	0	0	0	"Unambiguous"
+680197604.80574	283.153586624869	751.223921120357	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146310172709	283.15400026546	-1.46604997521051	1.47	283	282.837414800467	0.162585199532998	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	284.156859192131	99062109.2	750.468279860752	0	0	0	0	0	0	"Unambiguous"
+135690756.934595	283.153584998038	552.734217284643	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146308545878	283.15400026546	-1.47181589629752	1.47	283	282.837413175453	0.162586824547418	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	284.156859192131	99062109.2	750.468279860752	0	0	0	0	0	0	"Unambiguous"
+47908723.1869528	283.153586093249	685.665570716483	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146309641089	283.15400026546	-1.46793417771235	1.47	283	282.837414269441	0.162585730559385	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	284.156859192131	99062109.2	750.468279860752	0	0	0	0	0	0	"Unambiguous"
+189808808.798568	283.153584474955	506.554097834618	"C15H22O5"	"O5"	"CHO"	15	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.146308022795	283.15400026546	-1.47366984152423	1.47	283	282.837412652954	0.162587347046383	5	0.333333333333333	1.46666666666667	0	21.7035941394846	20	0.9	32	0.7	284.156859192131	99062109.2	750.468279860752	0	0	0	0	0	0	"Unambiguous"
+876673353.068413	283.190033711306	699.388467292092	"C16H26O4"	"O4"	"CHO"	16	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.182757259146	283.19038577076	-1.24762922225731	1.25	283	282.873821189762	0.126178810238287	4	0.25	1.625	0	21.7063930245077	20	0.9	34	0.8	284.194143062649	78268571.99	704.388511639144	0	0	0	0	0	0	"Unambiguous"
+31380364.430806	283.190034825775	791.753398784746	"C16H26O4"	"O4"	"CHO"	16	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.182758373615	283.19038577076	-1.24367975915933	1.24	283	282.873822302986	0.126177697013702	4	0.25	1.625	0	21.7063930245077	20	0.9	34	0.8	284.194143062649	78268571.99	704.388511639144	0	0	0	0	0	0	"Unambiguous"
+91790270.4446445	283.190032092455	508.313039424984	"C16H26O4"	"O4"	"CHO"	16	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	282.182755640295	283.19038577076	-1.25336611790052	1.25	283	282.873819572718	0.126180427281668	4	0.25	1.625	0	21.7063930245077	20	0.9	34	0.8	284.194143062649	78268571.99	704.388511639144	0	0	0	0	0	0	"Unambiguous"
+128893338.456685	287.148592181138	366.624044187109	"C14H22O6"	"O6"	"CHO"	14	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.141315728978	287.14891488776	-1.1277875799882	1.13	287	286.827959497842	0.172040502157813	4	0.428571428571429	1.57142857142857	-2	22.0108952642769	20	0.9	30	0.7	288.15153039453	95717987.9554109	445.500069103751	0	0	0	0	0	0	"Unambiguous"
+20965113.683447	287.148591001445	281.380250751588	"C14H22O6"	"O6"	"CHO"	14	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.141314549285	287.14891488776	-1.13191034810623	1.13	287	286.827958319466	0.172041680533539	4	0.428571428571429	1.57142857142857	-2	22.0108952642769	20	0.9	30	0.7	288.15153039453	95717987.9554109	445.500069103751	0	0	0	0	0	0	"Unambiguous"
+137035819.425768	287.14859388746	528.523738354436	"C14H22O6"	"O6"	"CHO"	14	22	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	286.1413174353	287.14891488776	-1.12182435896385	1.12	287	286.827961202259	0.172038797741152	4	0.428571428571429	1.57142857142857	-2	22.0108952642769	20	0.9	30	0.7	288.15153039453	95717987.9554109	445.500069103751	0	0	0	0	0	0	"Unambiguous"
+222845610.775322	289.164351106514	498.297903748588	"C14H24O6"	"O6"	"CHO"	14	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.157074654354	289.16456495156	-0.742112773950451	0.74	289	288.841467608794	0.158532391205824	3	0.428571428571429	1.71428571428571	-3	22.1659452691846	20	0.9	30	0.8	290.167264695599	125223514.078868	463.959690871339	0	0	0	0	0	0	"Unambiguous"
+165842754.302961	289.164350520746	464.254558173034	"C14H24O6"	"O6"	"CHO"	14	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.157074068586	289.16456495156	-0.744145583512232	0.74	289	288.84146702368	0.158532976319805	3	0.428571428571429	1.71428571428571	-3	22.1659452691846	20	0.9	30	0.8	290.167264695599	125223514.078868	463.959690871339	0	0	0	0	0	0	"Unambiguous"
+187616034.407975	289.164351641406	545.963849771414	"C14H24O6"	"O6"	"CHO"	14	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	288.157075189246	289.16456495156	-0.740256521197462	0.74	289	288.841468143089	0.158531856911111	3	0.428571428571429	1.71428571428571	-3	22.1659452691846	20	0.9	30	0.8	290.167264695599	125223514.078868	463.959690871339	0	0	0	0	0	0	"Unambiguous"
+57628404.6888047	295.153420150002	605.529344123011	"C16H22O5"	"O5"	"CHO"	16	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.146143697842	295.15400026546	-1.97220147353452	1.97	295	294.823849204284	0.176150795715671	6	0.3125	1.375	1	22.6266710625615	21	0.9	34	0.6	296.157585017598	97376930.4999234	574.679770329864	0	0	0	0	0	0	"Unambiguous"
+335808248.769402	295.15341959202	537.802766822084	"C16H22O5"	"O5"	"CHO"	16	22	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.14614313986	295.15400026546	-1.97409843225638	1.97	295	294.823848646925	0.176151353074602	6	0.3125	1.375	1	22.6266710625615	21	0.9	34	0.6	296.157585017598	97376930.4999234	574.679770329864	0	0	0	0	0	0	"Unambiguous"
+478983116.253719	295.190166881924	657.612144072669	"C17H26O4"	"O4"	"CHO"	17	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.182890429764	295.19038577076	-0.744056990135075	0.74	295	294.860554904477	0.139445095522831	5	0.235294117647059	1.52941176470588	1	22.6294699475846	21	0.9	36	0.7	296.193153621335	85846087.9649299	705.566023524314	0	0	0	0	0	0	"Unambiguous"
+233241948.365169	295.226241483877	631.858770940757	"C18H30O3"	"O3"	"CHO"	18	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	294.218965031717	295.22677127606	-1.80067312428607	1.8	295	294.896589225207	0.103410774792621	4	0.166666666666667	1.66666666666667	1	22.6322688326077	21	0.9	38	0.8	296.2294105401	94544778.3183782	656.413168323159	0	0	0	0	0	0	"Unambiguous"
+264618343.370731	297.168946530427	613.139250440864	"C16H24O5"	"O5"	"CHO"	16	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.161670078267	297.16965032926	-2.37640081113538	2.38	297	296.837125029947	0.16287497005294	5	0.3125	1.5	0	22.7817210674692	21	0.9	34	0.7	298.172367542025	21767332.1967295	452.959778318647	0	0	0	0	0	0	"Unambiguous"
+302339733.444314	297.168944816423	462.047247632763	"C16H24O5"	"O5"	"CHO"	16	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.161668364263	297.16965032926	-2.38218821795436	2.38	297	296.837123317857	0.162876682143064	5	0.3125	1.5	0	22.7817210674692	21	0.9	34	0.7	298.172367542025	21767332.1967295	452.959778318647	0	0	0	0	0	0	"Unambiguous"
+344728896.56242	297.169632842375	507.747700425146	"C16H24O5"	"O5"	"CHO"	16	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	296.162356390215	297.16965032926	-0.0590449279189741	0.06	297	296.837810575553	0.162189424446979	5	0.3125	1.5	0	22.7817210674692	21	0.9	34	0.7	298.173059606237	26557787.2221464	564.913669163299	0	0	0	0	0	0	"Unambiguous"
+105469063.210804	299.236443896427	627.602327844513	"C21H30O"	"O"	"CHO"	21	30	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	298.229167444267	299.23694203146	-1.67030957193599	1.67	299	298.902313809918	0.0976861900819586	7	0.0476190476190476	1.42857142857143	6	22.9407435061	22	1	44	0.7	300.2405905	43006641.2657366	523.214419293481	0	0	0	0	0	0	"Unambiguous"
+215699425.936913	305.101113570524	321.772564189047	"C16H16O6"	"O6"	"CHO"	16	16	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	304.093837118364	305.10196469636	-2.7988920921861	2.8	305	304.760434941464	0.239565058535618	9	0.375	1	3	23.3918990957077	22	0.9	34	0.5	306.104763072988	26773096.3134239	315.770633407261	0	0	0	0	0	0	"Unambiguous"
+119153660.60208	307.065713647848	273.9645955	"C11H14O10"	"O10"	"CHO"	11	14	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.058437195688	307.06597312176	-0.847792056787284	0.85	307	306.722841328791	0.277158671208838	5	0.909090909090909	1.27272727272727	-5	23.5429766668923	21	0.9	24	0.6	308.068198613357	35161195.9139035	270.6148091	0	0	0	0	0	0	"Unambiguous"
+126520428.261314	307.18994792349	681.339850940165	"C18H26O4"	"O4"	"CHO"	18	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	306.18267147133	307.19038577076	-1.43001975861654	1.43	307	306.846936883331	0.153063116668875	6	0.222222222222222	1.44444444444444	2	23.5525468706615	22	0.9	38	0.7	308.1930418	23624912.8909964	663.59557732405	0	0	0	0	0	0	"Unambiguous"
+37514986.0694053	471.257628774212	709.149627219186	"C24H38O9"	"O9"	"CHO"	24	38	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	470.250352322052	471.25885926506	-2.6166718258175	2.62	471	470.731418295903	0.268581704097414	6	0.375	1.58333333333333	-3	36.1731986779154	33	0.9	50	0.8	472.261372374224	55444788.958204	658.263083511565	0	0	0	0	0	0	"Unambiguous"
+161990764.597573	333.205883587945	599.117637351548	"C20H28O4"	"O4"	"CHO"	20	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.198607135785	333.20603583456	-0.458299980030042	0.46	333	332.833822921608	0.166177078392423	7	0.2	1.4	3	25.5537507217231	24	0.9	42	0.7	334.208784692161	22199332.2382048	672.6407392	0	0	0	0	0	0	"Unambiguous"
+838697638.188749	313.085141186934	273.100132754741	"C21H12O3"	"O3"	"CHO"	21	12	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.077864734774	313.08592070186	-2.49782190296926	2.5	313	312.735547521312	0.264452478688099	16	0.142857142857143	0.571428571428571	13	24.0060495576692	24	1	44	0.3	314.088139045657	65778910.2883536	275.09417108656	0	0	0	0	0	0	"Unambiguous"
+211883318.494392	313.16395787681	565.043020126727	"C16H24O6"	"O6"	"CHO"	16	24	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	312.15668142465	313.16456495156	-1.94477576849202	1.94	313	312.814276203768	0.185723796232082	5	0.375	1.5	-1	24.0120991153385	22	0.9	34	0.7	314.167333585158	20060830.4827861	422.843077379943	0	0	0	0	0	0	"Unambiguous"
+516729426.55568	319.189936569937	709.0390509	"C19H26O4"	"O4"	"CHO"	19	26	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.182660117777	319.19038577076	-1.41177027938645	1.41	319	318.833526235253	0.166473764747423	7	0.210526315789474	1.36842105263158	3	24.4756237937385	23	0.9	40	0.7	320.193218960245	73388817.39	709.084151614742	0	0	0	0	0	0	"Unambiguous"
+23861813.0267194	319.226670873914	750.800504975661	"C20H30O3"	"O3"	"CHO"	20	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.219394421754	319.22677127606	-0.315512340786237	0.32	319	318.870219521378	0.129780478622422	6	0.15	1.5	3	24.4784226787615	23	0.9	42	0.7	320.229357627958	21463113.54	753.339367832735	0	0	0	0	0	0	"Unambiguous"
+57599487.548813	319.22590551222	724.646640717265	"C20H30O3"	"O3"	"CHO"	20	30	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	318.21862906006	319.22677127606	-2.72065731213841	2.72	319	318.869455014293	0.130544985706706	6	0.15	1.5	3	24.4784226787615	23	0.9	42	0.7	320.229357627958	21463113.54	753.339367832735	0	0	0	0	0	0	"Unambiguous"
+105704648.815774	323.184828083672	657.767367212784	"C18H26O5"	"O5"	"CHO"	18	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.177551631512	323.18530039306	-1.46599099035826	1.47	323	322.823957017435	0.17604298256532	6	0.277777777777778	1.44444444444444	1	24.7829249185308	23	0.9	38	0.7	324.188220066161	31800693.2612331	673.8895271	0	0	0	0	0	0	"Unambiguous"
+115221078.370168	323.184827444901	594.818481570715	"C18H26O5"	"O5"	"CHO"	18	26	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	322.177550992741	323.18530039306	-1.46797366101877	1.47	323	322.823956379377	0.176043620623147	6	0.277777777777778	1.44444444444444	1	24.7829249185308	23	0.9	38	0.7	324.188220066161	31800693.2612331	673.8895271	0	0	0	0	0	0	"Unambiguous"
+3442856915.72477	325.142794730784	1317.22201130656	"C20H20O4"	"O4"	"CHO"	20	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.135518278624	325.14343557936	-1.97710074922869	1.98	325	324.779737381497	0.220262618503227	11	0.2	1	7	24.9335507020923	24	1	42	0.5	326.146624759578	164465323.554381	747.218204099322	0	0	0	0	0	0	"Unambiguous"
+878884237.469554	325.142787940137	747.525596355179	"C20H20O4"	"O4"	"CHO"	20	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.135511487977	325.14343557936	-1.99805081536826	2	325	324.779730598432	0.220269401567691	11	0.2	1	7	24.9335507020923	24	1	42	0.5	326.146624759578	164465323.554381	747.218204099322	0	0	0	0	0	0	"Unambiguous"
+2336092320.31721	325.14357534904	769.478021776706	"C20H20O4"	"O4"	"CHO"	20	20	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	324.13629889688	325.14343557936	0.43120650318936	0.43	325	324.780517128108	0.219482871892467	11	0.2	1	7	24.9335507020923	24	1	42	0.5	326.146630341604	936927223.005047	1302.46007875849	0	0	0	0	0	0	"Unambiguous"
+804424221.749186	327.049528845056	269.479582266584	"C17H10O7"	"O7"	"CHO"	17	10	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	326.042252392896	327.04992912726	-1.22770040097608	1.23	327	326.684342419423	0.315657580577181	13	0.411764705882353	0.588235294117647	6	25.0802040519308	24	1	36	0.3	328.052647608813	72823647.2361377	269.78469340572	0	0	0	0	0	0	"Unambiguous"
+105983357.391312	333.2050668	570.2353051	"C20H28O4"	"O4"	"CHO"	20	28	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	332.19779034784	333.20603583456	-2.91704095619051	2.92	333	332.833007045695	0.166992954304646	7	0.2	1.4	3	25.5537507217231	24	0.9	42	0.7	334.208784692161	22199332.2382048	672.6407392	0	0	0	0	0	0	"Unambiguous"
+42848246.321721	413.159430682295	426.112190528636	"C23H24O7"	"O7"	"CHO"	23	24	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	412.152154230135	413.15947957386	-0.118625038036958	0.12	413	412.698093171	0.301906828999734	12	0.304347826086957	1.04347826086957	5	31.7040156247462	30	0.9	48	0.5	414.163090031309	20145554.1152334	154.939407514269	0	0	0	0	0	0	"Unambiguous"
+705019409.013454	341.064956918603	304.185141127106	"C18H12O7"	"O7"	"CHO"	18	12	7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	340.057680466443	341.06557919106	-1.82990266873085	1.83	341	340.684120740775	0.315879259225085	13	0.388888888888889	0.666666666666667	6	26.1583309799154	25	1	38	0.3	342.067916816135	30758720.190261	357.162429210341	0	0	0	0	0	0	"Unambiguous"
+253218593.658228	345.168875680022	535.593197259558	"C20H24O5"	"O5"	"CHO"	20	24	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	344.161599227862	345.16965032926	-2.25082995817802	2.25	345	344.783457029842	0.216542970157832	9	0.25	1.2	4	26.4740287597769	25	0.9	42	0.6	346.171854414539	103371799.816372	538.3581651	0	0	0	0	0	0	"Unambiguous"
+127931944.147732	349.200154850958	488.227771965414	"C20H28O5"	"O5"	"CHO"	20	28	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	348.192878398798	349.20095045686	-2.28495742261466	2.28	349	348.810234838442	0.189765161557887	7	0.25	1.4	2	26.7841287695923	25	0.9	42	0.7	350.203181467142	42627789.3248658	673.4855874	0	0	0	0	0	0	"Unambiguous"
+376162235.47708	351.1796217	371.500322958699	"C19H26O6"	"O6"	"CHO"	19	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	350.17234524784	351.18021501536	-1.69435241830048	1.69	351	350.787491397117	0.212508602883247	7	0.315789473684211	1.36842105263158	1	26.9363798894769	25	0.9	40	0.7	352.1823219733	20888182.6851777	381.159490849193	0	0	0	0	0	0	"Unambiguous"
+34178842.9212634	377.144779900262	553.815921058028	"C16H24O10"	"O10"	"CHO"	16	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.137503448102	377.14422344076	1.4794044647981	1.48	377	376.72365666977	0.276343330229565	5	0.625	1.5	-5	28.9336113068154	26	0.9	34	0.7	378.1482868653	36667644.878644	352.986738474531	0	0	0	0	0	0	"Unambiguous"
+374285549.318185	377.144777660683	353.076233078528	"C16H24O10"	"O10"	"CHO"	16	24	10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	376.137501208523	377.14422344076	1.47345032394492	1.47	377	376.723654432692	0.276345567307828	5	0.625	1.5	-5	28.9336113068154	26	0.9	34	0.7	378.1482868653	36667644.878644	352.986738474531	0	0	0	0	0	0	"Unambiguous"
+90207574.169114	385.185910135392	650.964570510004	"C19H28O8"	"O8"	"CHO"	19	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.178633683232	385.18569432376	0.561748137704588	0.56	385	384.755808107044	0.244191892956223	6	0.421052631578947	1.47368421052632	-2	29.5521859901231	27	0.9	40	0.7	386.189112428652	167001549.806457	525.051027916973	0	0	0	0	0	0	"Unambiguous"
+294286363.993919	385.184893498899	471.50505955731	"C19H28O8"	"O8"	"CHO"	19	28	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	384.177617046739	385.18569432376	-2.08451722714316	2.08	385	384.754792605736	0.2452073942639	6	0.421052631578947	1.47368421052632	-2	29.5521859901231	27	0.9	40	0.7	386.189112428652	167001549.806457	525.051027916973	0	0	0	0	0	0	"Unambiguous"
+133483308.003466	455.227015946373	749.2134551	"C23H34O9"	"O9"	"CHO"	23	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	454.219739494213	455.22755913746	-1.19587732491558	1.2	455	454.718705393558	0.281294606441975	7	0.391304347826087	1.47826086956522	-2	34.9400217450231	32	0.9	48	0.7	456.230946479829	45289911.11	434.71332789406	0	0	0	0	0	0	"Unambiguous"
+853549588.8	387.200331561661	523.52755255507	"C19H30O8"	"O8"	"CHO"	19	30	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.193055109501	387.20134438756	-2.62258962353317	2.62	387	386.767980212352	0.232019787647801	5	0.421052631578947	1.57894736842105	-3	29.7072359950308	27	0.9	40	0.8	388.203210082201	99424366.9068995	533.467414394679	0	0	0	0	0	0	"Unambiguous"
+83182363.2314622	387.252481711364	734.211725724678	"C24H34O4"	"O4"	"CHO"	24	34	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.245205259204	387.25298602596	-1.30568506520611	1.31	387	386.820072130732	0.179927869267885	8	0.166666666666667	1.41666666666667	4	29.7112084287538	28	0.9	50	0.7	388.255562975565	20011774.2235545	736.130729566873	0	0	0	0	0	0	"Unambiguous"
+589502735.542176	389.180110794612	563.609580893032	"C18H28O9"	"O9"	"CHO"	18	28	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	388.172834342452	389.18060894606	-1.28332382871354	1.28	389	388.745548806125	0.254451193874843	5	0.5	1.55555555555556	-4	29.8594871149154	27	0.9	38	0.7	390.18345529958	160197097.432913	520.60141980722	0	0	0	0	0	0	"Unambiguous"
+115509141.016288	445.280332610802	410.788733928965	"C23H40O8"	"O8"	"CHO"	23	40	8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.273056158642	445.27959470656	1.66092503643426	1.66	445	444.783128613459	0.216871386540902	4	0.347826086956522	1.73913043478261	-4	34.1747937118769	31	0.9	48	0.8	446.284417179923	30135786.6299617	401.402203074025	0	0	0	0	0	0	"Unambiguous"
+128542058.343768	419.226331342109	663.477503280002	"C20H34O9"	"O9"	"CHO"	20	34	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.219054889949	419.22755913746	-2.93577094737648	2.94	419	418.758219475338	0.241780524661635	4	0.45	1.7	-5	32.1707909757923	29	0.9	42	0.8	420.229075949963	26938940.3440825	664.1568398	0	0	0	0	0	0	"Unambiguous"
+179057523.089407	445.169400353038	683.604265726792	"C20H28O11"	"O11"	"CHO"	20	28	11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	444.162123900878	445.17043819066	-2.3366189194126	2.34	445	444.672320223645	0.327679776354898	7	0.55	1.4	-4	34.1663970568077	31	0.9	42	0.7	446.173110432393	41460307.9869285	683.5443921	0	0	0	0	0	0	"Unambiguous"
+108101264.075496	471.257627890045	651.72075223684	"C24H38O9"	"O9"	"CHO"	24	38	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	470.250351437885	471.25885926506	-2.61855203556216	2.62	471	470.731417412723	0.268582587277081	6	0.375	1.58333333333333	-3	36.1731986779154	33	0.9	50	0.8	472.261372374224	55444788.958204	658.263083511565	0	0	0	0	0	0	"Unambiguous"
+123319726.022436	433.258596293594	737.378214575481	"C25H36O6"	"O6"	"CHO"	25	36	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	432.251319841434	433.25846533436	0.302970119470214	0.3	433	432.77481587442	0.225184125579915	8	0.24	1.44	2	33.2500914524769	31	0.9	52	0.7	434.261129443117	64919075.9423223	737.4600869	0	0	0	0	0	0	"Unambiguous"
+27737975.3080147	471.257622276222	305.970043386351	"C24H38O9"	"O9"	"CHO"	24	38	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	470.250345824062	471.25885926506	-2.63049001236666	2.63	471	470.731411805168	0.268588194831693	6	0.375	1.58333333333333	-3	36.1731986779154	33	0.9	50	0.8	472.261372374224	55444788.958204	658.263083511565	0	0	0	0	0	0	"Unambiguous"
+143763866.17314	461.077505221709	217.820933392077	"C14H20O17"	"O17"	"CHO"	14	20	17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	460.070228769549	461.07732566926	0.390271827519897	0.39	461	460.562661960303	0.43733803969667	5	1.21428571428571	1.42857142857143	-12	35.3900037859308	31	0.9	30	0.7	462.080871632118	21662796.869184	218.428160542263	0	0	0	0	0	0	"Unambiguous"
+1392655532.3658	269.137886563028	518.818451299712	"C14H20O5"	"O5"	"CHO"	14	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.130610110868	269.13835020166	-1.72915219108549	1.73	269	268.837364794526	0.16263520547443	5	0.357142857142857	1.42857142857143	0	20.6254672115	19	0.9	30	0.7	270.141400334091	70367267.6481761	462.325416104228	271.144546336217	37715909.6382535	448.881715830418	0	0	0	"Unambiguous"
+264040468.25271	269.1378886	751.264342873686	"C14H20O5"	"O5"	"CHO"	14	20	5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	268.13061214784	269.13835020166	-1.72155523867608	1.72	269	268.837366829223	0.162633170776985	5	0.357142857142857	1.42857142857143	0	20.6254672115	19	0.9	30	0.7	270.141400334091	70367267.6481761	462.325416104228	271.144546336217	37715909.6382535	448.881715830418	0	0	0	"Unambiguous"
+4584519619.04008	387.179885767399	670.72696114176	"C22H26O6"	"O6"	"CHO"	22	26	6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	386.172609315239	387.18021501536	-0.85259273464097	0.85	387	386.747557248047	0.252442751953311	10	0.272727272727273	1.18181818181818	4	29.7056106587077	28	0.9	46	0.6	388.183711100624	1057206254.9458	670.779770938928	389.186293912598	101515761.666327	669.1106436	0	0	0	"Unambiguous"
+285886200.644374	417.210994152317	594.731729053663	"C20H32O9"	"O9"	"CHO"	20	32	9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	416.203717700157	417.21190907366	-2.19825365327157	2.2	417	416.745132629057	0.254867370943316	5	0.45	1.6	-4	32.0157409708846	29	0.9	42	0.8	418.214546045893	167453243.614012	624.5336148	419.218266175515	88561275.320055	521.022328918228	0	0	0	"Unambiguous"
+873591445.130999	419.315042002557	1017.56678703395	"C26H42O4"	"O4"	"CHO"	26	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.307765550397	419.31558628116	-1.30114391322741	1.3	419	418.84683108067	0.15316891932963	6	0.153846153846154	1.61538461538462	2	32.1775622945385	30	0.9	54	0.8	420.318107423668	392919110.295159	1191.77766683947	421.3212894	58924659.4320049	991.3030829	0	0	0	"Unambiguous"
+2207096818.21113	419.31504119354	990.344459003458	"C26H42O4"	"O4"	"CHO"	26	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.30776474138	419.31558628116	-1.3030779390525	1.3	419	418.846830272557	0.153169727443242	6	0.153846153846154	1.61538461538462	2	32.1775622945385	30	0.9	54	0.8	420.318107423668	392919110.295159	1191.77766683947	421.3212894	58924659.4320049	991.3030829	0	0	0	"Unambiguous"
+842931105.434556	419.31504667458	1319.73410588945	"C26H42O4"	"O4"	"CHO"	26	42	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	418.30777022242	419.31558628116	-1.28997503370425	1.29	419	418.846835747477	0.153164252523425	6	0.153846153846154	1.61538461538462	2	32.1775622945385	30	0.9	54	0.8	420.318107423668	392919110.295159	1191.77766683947	421.3212894	58924659.4320049	991.3030829	0	0	0	"Unambiguous"
diff -r 000000000000 -r a26b860d6ce7 test-data/recal/recalibrants.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/recal/recalibrants.tabular	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,677 @@
+"abundance"	"exp_mass"	"theor_mass"	"recal_err"	"orig_err"
+115.054231533359	"C9H6"	115.05422664356	0.728984639913248	0.0424999510570841
+117.069572629504	"C9H8"	117.06987670736	3.36888732269624	2.59740476844203
+117.069742846604	"C9H8"	117.06987670736	1.91490980541242	1.14342612941356
+117.070083035453	"C9H8"	117.06987670736	0.990949465277487	1.76243538306623
+119.049041072813	"C8H6O"	119.04914126586	1.61309474232647	0.841610833463941
+119.085478343665	"C9H10"	119.08552677116	1.17814571129887	0.406661466893596
+121.028406955477	"C7H4O2"	121.02840582436	0.762138685010039	0.00934588037431393
+121.028559025627	"C7H4O2"	121.02840582436	0.494343474380556	1.2658290090465
+121.028559025773	"C7H4O2"	121.02840582436	0.49434468072811	1.26583021539405
+121.064480614559	"C8H8O"	121.06479132966	3.33800169223651	2.56651911411759
+121.064772496781	"C8H8O"	121.06479132966	0.927044769004804	0.155560330847126
+121.064839051124	"C8H8O"	121.06479132966	0.377303668240503	0.394181194019159
+121.101133005817	"C9H12"	121.10117683496	1.13340597227909	0.361921693424699
+123.044127955122	"C7H6O2"	123.04405588816	0.185784534949134	0.585700475091766
+123.044311353059	"C7H6O2"	123.04405588816	1.30472058698086	2.07620674688039
+123.044312115776	"C7H6O2"	123.04405588816	1.31091931316403	2.08240547779882
+123.08040073282	"C8H10O"	123.08044139346	1.10184255966829	0.330358256357986
+123.080583711079	"C8H10O"	123.08044139346	0.384812149861727	1.15629760003515
+123.080584214953	"C8H10O"	123.08044139346	0.38890600589622	1.16039145930252
+123.116871592357	"C9H14"	123.11682689876	0.408467059606618	0.363017778564131
+125.059595214589	"C7H8O2"	125.05970595196	1.65695989747293	0.885476022511153
+125.059596220818	"C7H8O2"	125.05970595196	1.64891391487979	0.87743003366822
+125.059782634153	"C7H8O2"	125.05970595196	0.158320363837114	0.613164667335975
+125.059782634211	"C7H8O2"	125.05970595196	0.158319899988998	0.61316513118409
+125.096198635223	"C8H12O"	125.09609145726	0.0852798625176126	0.856765081577565
+127.075190047638	"C7H10O2"	127.07535601576	2.07754419985918	1.30606064932025
+127.075382018668	"C7H10O2"	127.07535601576	0.56685882462213	0.204625891410509
+127.075574244373	"C7H10O2"	127.07535601576	0.945830675085174	1.71731655806531
+129.09108390255	"C7H12O2"	129.09100607956	0.168631328339575	0.602853694901326
+131.049175570564	"C9H6O"	131.04914126586	0.509714986706681	0.261769773312007
+131.049376883118	"C9H6O"	131.04914126586	1.02644463042826	1.79793057568662
+133.064927298151	"C9H8O"	133.06479132966	0.250336351211823	1.02182169769629
+135.044116878167	"C8H6O2"	135.04405588816	0.319854461932368	0.451630444592379
+135.044203360548	"C8H6O2"	135.04405588816	0.320546285208052	1.09203168589875
+135.044327465856	"C8H6O2"	135.04405588816	1.23954424801883	2.01103035754722
+135.080555334188	"C9H10O"	135.08044139346	0.0720175722814306	0.84350278118667
+137.059611	"C8H8O2"	137.05970595196	1.4642621042632	0.692778080641059
+137.059829579825	"C8H8O2"	137.05970595196	0.130514820569244	0.90200007450193
+137.096008386905	"C9H12O"	137.09609145726	1.37741205051386	0.60592795987589
+137.096008386934	"C9H12O"	137.09609145726	1.37741183905529	0.605927748417319
+137.0962229778	"C9H12O"	137.09609145726	0.187845771027137	0.959331069259402
+137.096223261009	"C9H12O"	137.09609145726	0.189911539247708	0.961396839138472
+137.132634373636	"C10H16"	137.13247696256	0.376390533578859	1.14787597722877
+139.075436413401	"C8H10O2"	139.07535601576	0.193398107200187	0.578086896938466
+139.075437251552	"C8H10O2"	139.07535601576	0.187371515920322	0.584113492918656
+139.075438077895	"C8H10O2"	139.07535601576	0.181429827829847	0.590055185505093
+139.075657338995	"C8H10O2"	139.07535601576	1.39513223978011	2.16661846947731
+139.111759045347	"C9H14O"	139.11174152106	0.645511917232047	0.125972738153041
+139.111759327331	"C9H14O"	139.11174152106	0.643484886310294	0.127999770504954
+141.069714774956	"C11H8"	141.06987670736	1.91937156888366	1.14788789635079
+141.09107540126	"C8H12O2"	141.09100607956	0.280158792853567	0.491326144286016
+141.127515919829	"C9H16O"	141.12739158486	0.109527070302526	0.881012308136338
+143.106736833058	"C8H14O2"	143.10665614336	0.207641911591673	0.563843081585299
+143.106747317844	"C8H14O2"	143.10665614336	0.134376431049012	0.637108618531804
+122.031729582056	"C7H4O2"	122.03176082436	1.02750216922641	0.256017808634792
+122.031910477811	"C7H4O2"	122.03176082436	0.454862865967863	1.22634837023555
+122.031910477811	"C7H4O2"	122.03176082436	0.454862865967863	1.22634837023555
+122.068097517923	"C8H8O"	122.06814632966	1.17135709498149	0.399872845375484
+122.068097517923	"C8H8O"	122.06814632966	1.17135709498149	0.399872845375484
+122.068097517923	"C8H8O"	122.06814632966	1.17135709498149	0.399872845375484
+122.104664227996	"C9H12"	122.10453183496	0.312774411413287	1.08425980598551
+132.0524023	"C9H6O"	132.05249626586	1.4830635902409	0.711579581090286
+132.0524023	"C9H6O"	132.05249626586	1.4830635902409	0.711579581090286
+138.062769711912	"C8H8O2"	138.06306095196	2.88095411004656	2.10947117927005
+138.063314108629	"C8H8O2"	138.06306095196	1.06214474082708	1.83363071360192
+145.0647978	"C10H8O"	145.06479132966	0.23160805451764	0.0446031041565306
+145.064798137177	"C10H8O"	145.06479132966	0.23393237493311	0.046927424180152
+145.064798431228	"C10H8O"	145.06479132966	0.235959407543264	0.0489544563984574
+145.101146559638	"C11H12"	145.10117683496	0.0216448313083043	0.208649734276678
+145.101147975532	"C11H12"	145.10117683496	0.0118868522403385	0.198891756971589
+145.101380561463	"C11H12"	145.10117683496	1.59103587787737	1.40403067326132
+147.044179044524	"C9H6O2"	147.04405588816	1.02455248016907	0.837547381658829
+147.080316009467	"C10H10O"	147.08044139346	0.665481053246733	0.852485835783122
+147.080316611482	"C10H10O"	147.08044139346	0.661387952119774	0.84839273542912
+147.080316883342	"C10H10O"	147.08044139346	0.659539575523873	0.846544359219698
+147.116706878527	"C11H14"	147.11682689876	0.628811018593558	0.815815807942072
+149.059468904565	"C9H8O2"	149.05970595196	1.40328022491653	1.59028486943581
+149.059955264357	"C9H8O2"	149.05970595196	1.85957260207492	1.67256734740101
+149.096105311228	"C10H12O"	149.09609145726	0.279924685552824	0.0929197262252704
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+265.179232828615	"C16H24O3"	265.17982108466	0.546535411376705	2.21832884030001
+265.179233850107	"C16H24O3"	265.17982108466	0.5426833321209	2.21447676747494
+265.252841444825	"C18H32O"	265.25259209526	2.61184443302247	0.940045723955873
+267.12236751965	"C14H18O5"	267.12270013786	0.426606197444182	1.24518885824288
+267.12236904666	"C14H18O5"	267.12270013786	0.432322718565381	1.23947234669763
+267.122369547836	"C14H18O5"	267.12270013786	0.434198923125232	1.23759614532976
+267.122418171045	"C14H18O5"	267.12270013786	0.616224974344789	1.05557039841264
+267.158694267095	"C15H22O4"	267.15908564316	0.206839588287928	1.46495509994922
+269.174623642775	"C15H24O4"	269.17473570696	1.25547139244278	0.416325048997421
+269.190034324818	"C19H24O"	269.18999184006	1.82962183499682	0.157824433670973
+273.22099917518	"C19H28O"	273.22129196766	0.600164076237146	1.07163126971572
+275.200046063441	"C18H26O2"	275.20055652616	0.183081278827829	1.8548753152189
+277.215548404996	"C18H28O2"	277.21620658996	0.702472651690897	2.37426581972913
+279.122437941579	"C15H18O5"	279.12270013786	0.732437066702734	0.939358500396356
+279.122437941754	"C15H18O5"	279.12270013786	0.732437693741977	0.939357873357113
+279.23135454172	"C18H30O2"	279.23185665376	0.126396254553331	1.79819038567926
+279.231355640483	"C18H30O2"	279.23185665376	0.122461299271082	1.79425543711485
+281.13761021831	"C15H20O5"	281.13835020166	0.960304056142152	2.63209679316573
+281.137610738539	"C15H20O5"	281.13835020166	0.958453615084006	2.63024635534263
+281.138243293062	"C15H20O5"	281.13835020166	1.29152608336664	0.380270418236245
+281.174303000536	"C16H24O4"	281.17473570696	0.132871009079202	1.53892355560869
+283.190032092455	"C16H26O4"	283.19038577076	0.422888579725451	1.24890646980384
+283.190033711306	"C16H26O4"	283.19038577076	0.428605065011239	1.24318999395213
+283.190034825775	"C16H26O4"	283.19038577076	0.432540477131393	1.2392545884559
+283.262312527003	"C18H34O2"	283.26315678136	1.3086673113547	2.98045946597623
+287.200184358761	"C19H26O2"	287.20055652616	0.375949992525095	1.2958449785359
+289.179529598855	"C18H24O3"	289.17982108466	0.663821231031105	1.0079742212214
+291.231420762583	"C19H30O2"	291.23185665376	0.175079330688238	1.4967153044789
+266.14610143058	"C15H20O4"	266.14679057936	0.917563157300656	2.58935596592176
+266.14610143058	"C15H20O4"	266.14679057936	0.917563157300656	2.58935596592176
+266.182811998121	"C16H24O3"	266.18317608466	0.303990377331071	1.36780447335256
+266.182811998121	"C16H24O3"	266.18317608466	0.303990377331071	1.36780447335256
+278.21853290475	"C18H28O2"	278.21956158996	2.02559539609604	3.69738635232981
+284.194143062649	"C16H26O4"	284.19374077076	3.08735456836633	1.41555506444424
+284.194143062649	"C16H26O4"	284.19374077076	3.08735456836633	1.41555506444424
+284.194143062649	"C16H26O4"	284.19374077076	3.08735456836633	1.41555506444424
+299.236443896427	"C21H30O"	299.23694203146	0.651756068302325	1.66468427872214
+303.194973778509	"C19H26O3"	303.19547114846	0.62749848102663	1.64042671588087
+303.194974339572	"C19H26O3"	303.19547114846	0.625647979815064	1.63857621654412
+303.194974912944	"C19H26O3"	303.19547114846	0.623756880884793	1.63668511967614
+303.194976080426	"C19H26O3"	303.19547114846	0.619906285233851	1.6328345279623
+307.189946735382	"C18H26O4"	307.19038577076	0.416267900630724	1.42919634952033
+307.189947923199	"C18H26O4"	307.19038577076	0.41240118405448	1.42532963682999
+307.18994792349	"C18H26O4"	307.19038577076	0.412400236634515	1.42532868941003
+319.189936569937	"C19H26O4"	319.19038577076	0.394384665565221	1.40731313659619
+321.205872158847	"C19H28O4"	321.20603583456	0.503363261639355	0.509566118743638
+321.205872765715	"C19H28O4"	321.20603583456	0.505252605459811	0.507676776869838
+323.184827444901	"C18H26O5"	323.18530039306	0.450467843125308	1.4633962573597
+323.184828083672	"C18H26O5"	323.18530039306	0.448491355572382	1.46141977191739
+300.2405905	"C21H30O"	300.24029703146	1.99037642915533	0.977445542485022
+308.1930418	"C18H26O4"	308.19374077076	1.25503137428853	2.26795897354048
+308.1930418	"C18H26O4"	308.19374077076	1.25503137428853	2.26795897354048
+308.1930418	"C18H26O4"	308.19374077076	1.25503137428853	2.26795897354048
+320.193218960245	"C19H26O4"	320.19374077076	0.616742945498346	1.62967119125355
+324.188220066161	"C18H26O5"	324.18865539306	0.329891120366754	1.34281965682138
+324.188220066161	"C18H26O5"	324.18865539306	0.329891120366754	1.34281965682138
diff -r 000000000000 -r a26b860d6ce7 test-data/recallist/recal_series.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/recallist/recal_series.tabular	Fri Sep 13 10:08:49 2024 +0000
@@ -0,0 +1,82 @@
+"Series"	"Number.Observed"	"Series.Index"	"Mass.Range"	"Tall.Peak"	"Abundance.Score"	"Peak.Score"	"Peak.Distance"	"Series.Score"
+"_H_4"	8	54	"121.101-177.164"	121.101133005817	-40.744548219864	0.513008460106113	2.0022239614575	0.6255625
+"_H_5"	7	60	"119.085-203.179"	119.085478343665	0	0.00189700255432302	2.002230609633	1.00095918367347
+"_H_6"	9	49	"117.07-173.133"	145.101380561463	-56.0021549559649	0.13569292865165	2.00220483719043	0.556055555555556
+"O_H_3"	12	37	"125.096-265.253"	153.127570993099	-31.622351105407	0.0015695541785917	4.0916000492481e-08	0.91760119047619
+"O_H_4"	24	18	"123.08-235.205"	151.111735640747	-28.2884966922516	0.623476031387814	1.00110604074271	0.375372023809524
+"O_H_5"	18	27	"121.064-233.19"	149.096105311228	21.4305154780686	0.352916430267584	2.00223805817479	0.5005
+"O_H_6"	17	28	"119.049-273.221"	175.111612481644	-9.97452232152313	0.0274294484213061	1.00111137429357	0.706605042016807
+"O_H_7"	12	39	"131.049-299.236"	131.049175570564	172.333212266955	0.840925082711506	1.00111591861886	1.08444642857143
+"O2_H_6"	26	15	"121.028-275.2"	135.044203360548	132.070890535917	0.00790053195276584	1.00111745248393	0.462010989010989
+"O2_H_7"	14	32	"147.044-287.2"	189.091144991185	8.83386407948655	0.147303531551518	2.00219708641086	0.786510204081633
+"O2_H_3"	23	19	"113.06-253.216"	169.122270213149	4.76056043166079	0.0701292750649239	8.28695842106494e-12	0.478745341614907
+"O2_H_4"	33	6	"111.044-279.231"	167.106692449667	82.4236049322032	0.286865201338275	4.00445257623936	0.394344155844156
+"O3_H_2"	19	24	"117.055-299.257"	145.085900628212	6.27902654417553	0.802218975083	3.00336379805057	0.737601503759398
+"O3_H_3"	31	8	"115.039-297.242"	185.117196150203	47.4227725825158	0.778828196734631	1.00111893363993	0.45208064516129
+"O3_H_7"	33	7	"149.023-415.32"	177.05459583337	-10.9317163240029	0.195437412108535	4.0044736834895	0.606703463203463
+"O4_H_1"	8	53	"177.112-359.316"	177.112147092172	-26.2941074418532	0.151915356730647	2.00222462284679	1.75182142857143
+"O2_H_2"	27	13	"115.075-283.262"	171.137877553161	-69.1344724131683	0.207568470854973	1.00110628326907	0.481976190476191
+"O3_H_12"	14	34	"251.07-279.102"	279.101165261479	65.2340182235317	0.149300279614808	0	0.214448979591837
+"O2_H_8"	5	74	"187.076-355.262"	229.122456513599	-51.6968737595267	0.273206935258389	5.00556212952736	2.60265714285714
+"O3_H_5"	36	4	"125.023-419.351"	237.148279500834	43.9267963624442	0.0746045081170269	4.00447726198	0.611761904761905
+"O2_H_11"	5	78	"209.06-391.263"	223.074691790747	132.732152227999	0.540579659159889	1.00107229090536	2.8029
+"O_H_8"	5	73	"171.081-269.19"	269.190034324818	-84.1542998489119	0.062211091207672	4.23693827867412e-05	1.60155714285714
+"O3_H_4"	36	3	"127.039-323.257"	239.16391307677	37.1217086846939	0.117558310016219	4.00445515003443	0.417099206349206
+"O4_H_3"	30	10	"145.049-341.268"	229.143400253236	23.742221018427	0.0948022540425468	2.00221116860679	0.500521428571428
+"O2_H_5"	37	2	"123.044-431.389"	221.153498294039	30.1182563966444	0.265731820127386	2.00224719208636	0.622287644787645
+"O4_H_5"	30	11	"141.018-337.236"	253.143063541297	45.0295848929684	0.329810765327225	2.00223138994564	0.500519047619048
+"O4_H_2"	21	21	"161.081-371.315"	203.127702568166	14.8126016290571	0.216169485485103	1.00111575924557	0.762700680272109
+"O4_H_7"	25	17	"193.049-431.317"	277.143094912085	-39.7124352799229	0.0207206865928199	6.00667325540743	0.720765714285714
+"O4_H_4"	34	5	"143.034-339.252"	227.127382267807	51.3580490610349	0.116192915928226	2.00222457351421	0.441634453781513
+"O3_H_6"	27	14	"151.039-319.227"	221.116873599366	8.32628083030641	0.0284160198840399	5.00556424587978	0.481978835978836
+"O5_H_6"	28	12	"211.06-407.278"	267.122418171045	-8.32628083030643	0.079441195728107	3.82635832149195e-05	0.536270408163265
+"O5_H_3"	22	20	"189.076-357.264"	245.138110912711	20.2587245791274	0.00524719019601846	2.00224152631921	0.591519480519481
+"O5_H_8"	14	33	"221.044-361.2"	249.075478055657	-52.2755612668809	0.0312113383863095	7.00778143987421	0.786510204081633
+"O4_H_10"	5	77	"229.049-327.159"	299.127418810834	-66.343276651767	0.448794298026244	5.005572359656	1.60157142857143
+"O5_H_1"	6	64	"207.123-263.185"	249.169399166473	-68.7758170029675	0.231338729878438	3.00334324467536	0.834071428571429
+"O5_H_7"	19	26	"209.044-405.263"	293.138129661566	-62.1139158480097	0.339103327929671	4.0044895110515	0.790296992481203
+"O8_H_2"	4	80	"239.077-365.218"	239.0765825642	-76.5432994494589	0.21374226060379	5.00560801167571	2.50251785714286
+"O6_H_1"	6	65	"223.118-293.197"	265.164165806035	-26.0443019937859	0.554703568827037	2.00232612936514	1.00094047619048
+"O5_H_5"	31	9	"199.06-353.231"	227.091557943633	33.123906036581	0.104461891095423	3.00330918709964	0.387490783410138
+"O5_H_2"	16	29	"219.122-359.278"	247.153417281641	-48.9074890350887	0.120168373038622	3.72785043570697e-05	0.688196428571429
+"O5_H_4"	25	16	"159.029-355.247"	299.185048812065	20.2884808281639	0.145312047916216	2.00222987389164	0.600622857142857
+"O7_H_2"	9	45	"195.05-349.221"	265.128242926885	-61.597225928828	0.180677725508874	6.00663774961929	1.33469047619048
+"O9_H_2"	5	70	"241.056-381.212"	269.086936878584	-39.0519817092756	0.341957510942861	8.00892782762214	2.20222857142857
+"O10_H_9"	6	67	"369.081-453.176"	369.080570529955	-48.6903435474702	0.10098321914748	2.00229830124614	1.16779761904762
+"O3_H_8"	7	61	"189.055-315.195"	315.195056096973	15.3981964259707	0.218850442793398	4.00443177147314	1.43
+"O4_H_8"	9	52	"205.05-387.252"	387.252481711364	-56.3837151335971	0.0436136413448345	12.0133884154185	1.55715873015873
+"O6_H_3"	20	23	"177.039-373.258"	345.226539852126	11.3393140788504	0.260614281337932	2.00221165341957	0.750782142857143
+"O8_H_13"	6	68	"343.045-427.138"	357.060661628738	51.6000460470045	0.16259969783224	4.00439854372114	1.16777380952381
+"O10_H_2"	4	79	"285.082-425.238"	355.160039122111	-62.6454758053799	0.150072989997034	5.00556513080393	2.75278571428571
+"O7_H_6"	8	55	"299.113-495.33"	313.128264107885	2.22863472776223	0.124302182854094	13.0144285819602	1.8769375
+"O6_H_2"	12	36	"249.134-375.274"	347.242588877017	-31.515656260483	0.0710777260539349	6.00671922576264	0.834166666666667
+"O8_H_1"	5	69	"213.061-311.169"	311.16936123622	27.8251864824375	0.198145538844287	1.00111011193714	1.60154285714286
+"O6_H_7"	9	50	"253.071-407.242"	351.1796217	11.6976374801684	0.213201464774084	2.00233308426821	1.33469047619048
+"O6_H_4"	21	22	"245.102-413.289"	343.210931027628	48.7797586027353	0.121518345258972	2.00223904643693	0.619683673469388
+"O7_H_7"	5	72	"297.097-451.27"	367.175497511433	-24.968314454426	0.0590075942636926	3.00340430136414	2.40247142857143
+"O6_H_6"	16	30	"241.07-381.227"	311.148738276314	28.8219252051272	0.252886832628825	2.002256704257	0.688200892857143
+"O4_H_11"	7	63	"311.127-367.19"	325.142794730784	678.501101324198	0.16842897219323	5.57584468603116e-05	0.714928571428571
+"O6_H_8"	8	58	"293.102-433.259"	321.133270127935	-31.8793775150894	0.0346098744441628	8.00895186897564	1.37640178571429
+"O6_H_5"	19	25	"243.086-425.289"	313.165444630826	39.0618868447997	0.126458583531792	4.00433919779814	0.737605263157895
+"O7_H_3"	9	46	"193.034-389.253"	333.190374703384	-41.3251708285862	0.107741039499114	4.00439445263429	1.66840476190476
+"O8_H_4"	13	35	"305.124-445.28"	347.169662029247	166.713963385144	0.814025833051634	3.00332210936914	0.847010989010989
+"O7_H_5"	12	38	"273.097-427.268"	329.158937066272	-2.22863472776223	0.15947640466632	4.34917158794893e-08	1.00101785714286
+"O9_H_4"	9	48	"349.149-447.258"	363.164041941685	-9.44164093073756	0.43055033575674	1.00104776138443	0.889753968253968
+"O9_H_5"	11	43	"291.071-445.244"	389.180110794612	80.5596268067837	0.0927891530123678	6.006715492948	1.09203246753247
+"O9_H_9"	7	62	"339.071-479.226"	367.101864488525	-18.5226214411156	0.0271291741355916	2.00223672353814	1.57301020408163
+"O8_H_5"	11	42	"331.138-429.247"	387.200331561661	24.9699398397972	0.686337154705757	4.00442631676493	0.72798051948052
+"O8_H_3"	4	81	"223.045-363.202"	363.201194044798	-33.8039575557239	0.0980859141223997	6.624520485892e-05	2.75280357142857
+"O7_H_4"	11	40	"233.066-415.268"	359.206083268496	-11.5251682369853	0.136136287521764	1.00112104522922	1.27403896103896
+"O8_H_7"	8	56	"313.091-495.295"	327.106681872755	-46.9363771060916	0.176094902356589	12.0134341270457	1.75182142857143
+"O10_H_8"	8	57	"357.081-497.238"	497.238160145162	59.2705647399778	0.623098899641715	4.00454302359757	1.37640178571429
+"O10_H_6"	6	66	"319.065-487.254"	431.190612941439	-34.0254140710475	0.137560981917351	1.00109561738814	2.16891666666667
+"O8_H_6"	14	31	"343.138-483.296"	413.215785206654	-23.4991175933365	0.0491534377465991	2.00220655055393	0.786520408163265
+"O10_H_5"	11	41	"307.066-489.268"	447.222095357102	37.0072864154341	0.0767372225093416	5.00552269260135	1.27403896103896
+"O4_H_6"	38	1	"181.05-419.315"	419.31504119354	167.793499583949	0.081663692111767	10.0111644740629	0.474182330827068
+"O9_H_3"	5	71	"337.148-407.227"	407.22659111443	-2.69973187103022	0.154668199534351	5.00558384623686	1.20112857142857
+"O10_H_3"	7	59	"381.175-465.268"	409.206584131861	2.6997318710302	0.0702879797813004	2.00225558483757	1.00094897959184
+"O8_H_8"	5	75	"325.091-493.279"	409.186591363892	-3.52745644167617	0.282731672009641	4.00447886081779	2.60268571428571
+"O9_H_6"	10	44	"303.07-499.289"	415.195395703443	-21.7793592335313	0.166622042493807	3.00330370738879	1.50156428571429
+"O9_H_7"	9	51	"329.086-497.274"	469.243345845043	-12.5358423709044	0.297185663031711	4.00454498002479	1.44593650793651
+"O9_H_8"	5	76	"355.103-481.243"	425.179504475429	5.47210675676836	0.0313350772541183	4.00452126604079	2.002
+"O10_H_4"	9	47	"309.081-491.284"	435.222060757962	4.7511651696338	0.655346847143645	2.00227542877	1.55716666666667
diff -r 000000000000 -r a26b860d6ce7 test-data/snplot/plot.png
Binary file test-data/snplot/plot.png has changed