#METABOLOMICS WORKBENCH ptth222_20191017_121458 DATATRACK_ID:1832 STUDY_ID:ST001269 ANALYSIS_ID:AN002109 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Exosomal lipids for classifying early and late stage non-small cell lung cancer PR:PROJECT_TYPE Biomarker Discovery PR:PROJECT_SUMMARY Lung cancer is the leading cause of cancer deaths in the United States. Patients PR:PROJECT_SUMMARY with early stage lung cancer have the best prognosis with surgical removal of PR:PROJECT_SUMMARY the tumor, but the disease is often asymptomatic until advanced disease PR:PROJECT_SUMMARY develops, and there are no effective blood-based screening methods for early PR:PROJECT_SUMMARY detection of lung cancer in at-risk populations. We have explored the lipid PR:PROJECT_SUMMARY profiles of blood plasma exosomes using ultra high-resolution Fourier transform PR:PROJECT_SUMMARY mass spectrometry (UHR-FTMS) for early detection of the prevalent non-small cell PR:PROJECT_SUMMARY lung cancers (NSCLC). Exosomes are nanovehicles released by various cells and PR:PROJECT_SUMMARY tumor tissues to elicit important biofunctions such as immune modulation and PR:PROJECT_SUMMARY tumor development. Plasma exosomal lipid profiles were acquired from 39 normal PR:PROJECT_SUMMARY and 91 NSCLC subjects (44 early stage and 47 late stage). We have applied two PR:PROJECT_SUMMARY multivariate statistical methods, Random Forest (RF) and Least Absolute PR:PROJECT_SUMMARY Shrinkage and Selection Operator (LASSO) to classify the data. For the RF PR:PROJECT_SUMMARY method, the Gini importance of the assigned lipids was calculated to select 16 PR:PROJECT_SUMMARY lipids with top importance. Using the LASSO method, 7 features were selected PR:PROJECT_SUMMARY based on a grouped LASSO penalty. The Area Under the Receiver Operating PR:PROJECT_SUMMARY Characteristic curve for early and late stage cancer versus normal subjects PR:PROJECT_SUMMARY using the selected lipid features was 0.85 and 0.88 for RF and 0.79 and 0.77 for PR:PROJECT_SUMMARY LASSO, respectively. These results show the value of RF and LASSO for PR:PROJECT_SUMMARY metabolomics data-based biomarker development, which provide robust an PR:PROJECT_SUMMARY independent classifiers with sparse data sets. Application of LASSO and Random PR:PROJECT_SUMMARY Forests identifies lipid features that successfully distinguish early stage lung PR:PROJECT_SUMMARY cancer patient from healthy individuals. PR:INSTITUTE University of Kentucky PR:DEPARTMENT Center for Environmental and Systems Biochemistry PR:LAST_NAME Thompson PR:FIRST_NAME Patrick PR:ADDRESS 789 South Limestone, Lexington, Kentucky, 40536, USA PR:EMAIL ptth222@uky.edu; rick.higashi@uky.edu PR:PHONE 8592181027 PR:FUNDING_SOURCE NCI PR:PUBLICATIONS https://doi.org/10.1016/j.aca.2018.02.051 PR:DOI http://dx.doi.org/10.21228/M8998T #STUDY ST:STUDY_TITLE Exosomal lipids for classifying early and late stage non-small cell lung cancer ST:STUDY_TYPE Biomarker Discovery ST:STUDY_SUMMARY Lung cancer is the leading cause of cancer deaths in the United States. Patients ST:STUDY_SUMMARY with early stage lung cancer have the best prognosis with surgical removal of ST:STUDY_SUMMARY the tumor, but the disease is often asymptomatic until advanced disease ST:STUDY_SUMMARY develops, and there are no effective blood-based screening methods for early ST:STUDY_SUMMARY detection of lung cancer in at-risk populations. We have explored the lipid ST:STUDY_SUMMARY profiles of blood plasma exosomes using ultra high-resolution Fourier transform ST:STUDY_SUMMARY mass spectrometry (UHR-FTMS) for early detection of the prevalent non-small cell ST:STUDY_SUMMARY lung cancers (NSCLC). Exosomes are nanovehicles released by various cells and ST:STUDY_SUMMARY tumor tissues to elicit important biofunctions such as immune modulation and ST:STUDY_SUMMARY tumor development. Plasma exosomal lipid profiles were acquired from 39 normal ST:STUDY_SUMMARY and 91 NSCLC subjects (44 early stage and 47 late stage). We have applied two ST:STUDY_SUMMARY multivariate statistical methods, Random Forest (RF) and Least Absolute ST:STUDY_SUMMARY Shrinkage and Selection Operator (LASSO) to classify the data. For the RF ST:STUDY_SUMMARY method, the Gini importance of the assigned lipids was calculated to select 16 ST:STUDY_SUMMARY lipids with top importance. Using the LASSO method, 7 features were selected ST:STUDY_SUMMARY based on a grouped LASSO penalty. The Area Under the Receiver Operating ST:STUDY_SUMMARY Characteristic curve for early and late stage cancer versus normal subjects ST:STUDY_SUMMARY using the selected lipid features was 0.85 and 0.88 for RF and 0.79 and 0.77 for ST:STUDY_SUMMARY LASSO, respectively. These results show the value of RF and LASSO for ST:STUDY_SUMMARY metabolomics data-based biomarker development, which provide robust an ST:STUDY_SUMMARY independent classifiers with sparse data sets. Application of LASSO and Random ST:STUDY_SUMMARY Forests identifies lipid features that successfully distinguish early stage lung ST:STUDY_SUMMARY cancer patient from healthy individuals. ST:INSTITUTE University of Kentucky ST:DEPARTMENT Center for Environmental and Systems Biochemistry ST:LAST_NAME Thompson ST:FIRST_NAME Patrick ST:ADDRESS 789 South Limestone, Lexington, Kentucky, 40536, USA ST:EMAIL ptth222@uky.edu, rick.higashi@uky.edu ST:PHONE 8592181027 ST:SUBMIT_DATE 2019-10-17 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 17Dec08_P125 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec08_P134 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec08_P145 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec11_10P66(25) Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec11_P128 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec11_UK012 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec12_8P76 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec12_P83 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec12_P97(48) Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec15_2P58(19) Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec15_34exo Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec15_35exo Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec15_36exo Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec15_P193 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec15_P92(46) Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec18_10exo Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec18_17P64(23) Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec18_2P147 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec18_50exo Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec18_P132(61) Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec18_UK009 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec19_21exo Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec19_P82 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec20_P103 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec20_P123 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec22_24exo Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec22_5P73(31) Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec22_P81 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec22_P89 Cancer Stage:Early SUBJECT_SAMPLE_FACTORS - 17Dec08_19exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec08_26exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec08_9exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec08_P31 Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec11_18exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec11_22exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec11_27exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec11_48exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec12_17exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec12_4exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec12_5exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec15_13exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec15_23exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec15_2exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec15_39exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec15_40exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec15_43exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec15_51exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec18_25exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec18_28exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec18_33exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec18_3exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec18_44exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec18_49exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec18_6exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec19_15P169(28) Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec19_1exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec19_32exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec19_41exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec20_30exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec20_45exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec20_47exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec22_11exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec22_14exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec22_15exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec22_29exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec22_42exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec22_7exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec22_8exo Cancer Stage:Late SUBJECT_SAMPLE_FACTORS - 17Dec08_P110N29 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec08_P90 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec08_P98 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec11_P88N15 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec11_P99N21 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec12_P108N27 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec12_P94N18 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec15_P104N24 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec15_P126N33 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec15_P164N44 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec15_P29N6 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec15_P36N11 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec18_P101N22 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec18_P127N34 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec18_P136N38 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec18_P162N42 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec18_P28N5 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec19_P192N49 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec19_P37N12 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec20_P109N28 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec20_P95N19 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec20_UK001N Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec22_P135N37 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec22_P209N50 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec22_P32N7 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec22_P35N10 Cancer Stage:Normal SUBJECT_SAMPLE_FACTORS - 17Dec22_P91N17 Cancer Stage:Normal #COLLECTION CO:COLLECTION_SUMMARY Ten mL samples of blood were drawn into a purple top vacutainer containing CO:COLLECTION_SUMMARY K2-EDTA (Becton-Dickson), inverted twice to ensure dissolution of the EDTA, and CO:COLLECTION_SUMMARY kept on ice immediately after blood draw. The whole blood was separated into CO:COLLECTION_SUMMARY packed red cells, buffy coat, and plasma within 30 min of collection by CO:COLLECTION_SUMMARY centrifuging at 3500 g for 15 min at 4 C in a swing out rotor. All blood CO:COLLECTION_SUMMARY processing procedures were performed in a class II biosafety cabinet housed in a CO:COLLECTION_SUMMARY BSL category 2 laboratory. Plasma (0.7 mL) was aliquotted into 1.5 mL screw cap CO:COLLECTION_SUMMARY vials, flash frozen in liq. N2, and stored at-80 C until exosomal isolation. CO:COLLECTION_SUMMARY These collection and processing procedures were designed to minimize variations CO:COLLECTION_SUMMARY in plasma and exosome quality. CO:SAMPLE_TYPE Blood (whole) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No Treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Exosomes were isolated from plasma by differential ultracentrifugation adapted SP:SAMPLEPREP_SUMMARY from Refs. [47,48]. 0.7 mL cleared plasma (see above) were placed in 5 41 mm SP:SAMPLEPREP_SUMMARY polyallomer ultraclear ultracentrifuge tubes on ice, and centrifuged for 1 h at SP:SAMPLEPREP_SUMMARY 70,000 g at 4 C in a SWTi55 swing out rotor (Beckman). The supernatant was SP:SAMPLEPREP_SUMMARY recentrifuged at 100,000 g for 1 h at 4 C, and the pellet was drained and SP:SAMPLEPREP_SUMMARY resuspended in 0.7 mL cold PBS, and recentrifuged at 100,000 g for 1 h at 4 C. SP:SAMPLEPREP_SUMMARY The washed exosomal pellets were resuspended in 100 mL nanopure water, vortexed SP:SAMPLEPREP_SUMMARY for 30 s and transferred to a fresh microcentrifuge tube. The ultracentrifuge SP:SAMPLEPREP_SUMMARY tube was washed with another 100 mL of nanopure water, vortexed for 30 s and the SP:SAMPLEPREP_SUMMARY wash was transferred into same microcentrifuge tube, using the same pipet tip. SP:SAMPLEPREP_SUMMARY The combined exosome suspensions were then lyophilized except for a small SP:SAMPLEPREP_SUMMARY portion that was used for characterization by particle size distribution SP:SAMPLEPREP_SUMMARY analysis (see below). These nanoparticles are operationally defined as exosomes. SP:SAMPLEPREP_SUMMARY The lyophilized EXO preparations were extracted for lipidic metabolites using a SP:SAMPLEPREP_SUMMARY solvent partitioning method with CH3CN:H2O:CHCl3 (2:1.5:1, v/v) as described SP:SAMPLEPREP_SUMMARY previously [49]. The resulting lipid extracts were vacuum-dried in a vacuum SP:SAMPLEPREP_SUMMARY centrifuge (Eppendorf), redissolved in 200 mL CHCl3:CH3OH (2:1) with 1 mM SP:SAMPLEPREP_SUMMARY butylated hydroxytoluene, which was further diluted 1:20 in SP:SAMPLEPREP_SUMMARY isopropanol/CH3OH/CHCl3 (4:2:1) with 20 mM ammonium formate for UHR-FTMS SP:SAMPLEPREP_SUMMARY analysis. SP:SAMPLEPREP_PROTOCOL_COMMENTS A small fraction (<1%) of each exosome preparation was characterized by size SP:SAMPLEPREP_PROTOCOL_COMMENTS distribution analysis using a Nanosight 300 (Malvern Instruments), which SP:SAMPLEPREP_PROTOCOL_COMMENTS provided the distribution of the Stokes' radius (mean 60e66 nm) and the number SP:SAMPLEPREP_PROTOCOL_COMMENTS density of the particles. A typical analysis is shown in Fig. S1. The method SP:SAMPLEPREP_PROTOCOL_COMMENTS eliminates very small particles, and provides a strongly peaked, narrow SP:SAMPLEPREP_PROTOCOL_COMMENTS distribution at the expected size for exosomes (40e100nm, observed mode of 60e65 SP:SAMPLEPREP_PROTOCOL_COMMENTS nm for the main peaks in Figs. S1A and B). #CHROMATOGRAPHY CH:INSTRUMENT_NAME Thermo Orbitrap Fusion CH:COLUMN_NAME none CH:CHROMATOGRAPHY_TYPE None (Direct infusion) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Fusion Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS High sample throughput ( 16 min total cycle time per sample, <7 min for MS1 MS:MS_COMMENTS portion) was achieved using the nanoelectrospray TriVersa NanoMate (Advion MS:MS_COMMENTS Biosciences, Ithaca, NY, USA) with 1.5 kV electrospray voltage and 0.4 psi head MS:MS_COMMENTS pressure. UHR-FTMS data were acquired from an Orbitrap Fusion Tribrid (Thermo MS:MS_COMMENTS Scientific, San Jose, CA, USA) set at a resolving power of 450,000 (at 200 m/z) MS:MS_COMMENTS for MS1 full scans using 10 microscans per scan in the m/z range of 150e1,600, MS:MS_COMMENTS achieving sub ppm mass accuracy through <1200 m/z in positive mode. AGC MS:MS_COMMENTS (Automatic Gain Control) target was set to 1e5 and maximal injection time was MS:MS_COMMENTS set to 100 ms. During the MS1 run, the top 500 most intense monoisotopic MS:MS_COMMENTS precursor ions were isolated via quadrupole using 1m/z isolation window and HCD MS:MS_COMMENTS (Higher Energy Collisional Dissociation) set at 25% collision energy was MS:MS_COMMENTS performed in positive mode for datadependent MS2 at a resolving power of 120,000 MS:MS_COMMENTS (at 200 m/z) to obtain fragments for acyl chain assignment and neutral loss of MS:MS_COMMENTS specific head groups. The AGC target was set to 5e4 with maximal injection time MS:MS_COMMENTS of 500 ms. MS2 does not distinguish the sn1 and sn2 acyl positions of MS:MS_COMMENTS glycerolipids, nor the position of unsaturations in acyl chains and acyl MS:MS_COMMENTS branching. Representative full scan MS along with an example MS2 spectrum are MS:MS_COMMENTS shown in Fig. S2. The UHR-FTMS raw data were assigned by our (CESB) in-house MS:MS_COMMENTS software PREMISE (PRecalculated Exact Mass Isotopologue Search Engine) that MS:MS_COMMENTS compares UHR-FTMS m/z data against our metabolite m/z library (calculated with MS:MS_COMMENTS mass accuracy to the 5th decimal point) to discern all known lipid MF and their MS:MS_COMMENTS 13C isotopologues, including hypothetical lipids, while simultaneously taking MS:MS_COMMENTS into account all of the major adducts (here Hþ, Naþ, Kþ and NHþ4 ) [50,51]. MS:MS_COMMENTS An in-house developed natural abundance (NA) correction algorithm [52,53] was MS:MS_COMMENTS applied to simultaneously examine the distribution of naturally occurring 13C MS:MS_COMMENTS isotopologues of the unlabeled lipids to help verify the assigned molecular MS:MS_COMMENTS formulae, and to eliminate non- monoisotopic 13C isotopologues from further MS:MS_COMMENTS analysis. For statistical classification, we used only high accuracy MS:MS_COMMENTS monoisotopic m/z values that mapped to lipid molecular formulae, and multiple MS:MS_COMMENTS adducts of each were tracked throughout to avoid redundancy. Below, such m/z MS:MS_COMMENTS values are referred to as “lipid features”, and neither molecular formulae MS:MS_COMMENTS nor lipid names were directly used. The number of assigned lipid features in MS:MS_COMMENTS each sample varied from 1 to 70. After combining all samples into a master file, MS:MS_COMMENTS the data set had a total of 430 such lipid features. Prior to multivariate MS:MS_COMMENTS statistical analyses, MS1 peaks arising from solvent blanks and known MS:MS_COMMENTS contaminants were removed from the lipid feature lists. As absolute intensities MS:MS_COMMENTS vary from sample to sample, the lipid features must be normalized. The MS:MS_COMMENTS intensities of the lipid features in each sample were thus normalized to the MS:MS_COMMENTS summed intensities of all mass peaks that were non-zero in 20%, 50%, 75%, 97%, MS:MS_COMMENTS 100% of all samples. This is equivalent to estimating the mole fraction of each MS:MS_COMMENTS lipid feature present, and therefore can be used for determining relative MS:MS_COMMENTS changes in composition. We found that normalization using the summed intensities MS:MS_COMMENTS of lipid features that were non-zero in 20% of all samples provided the best MS:MS_COMMENTS statistical outcome according to the ROC analysis. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Ion Intensity MS_METABOLITE_DATA_START Samples 17Dec08_P125 17Dec08_P134 17Dec08_P145 17Dec11_10P66(25) 17Dec11_P128 17Dec11_UK012 17Dec12_8P76 17Dec12_P83 17Dec12_P97(48) 17Dec15_2P58(19) 17Dec15_34exo 17Dec15_35exo 17Dec15_36exo 17Dec15_P193 17Dec15_P92(46) 17Dec18_10exo 17Dec18_17P64(23) 17Dec18_2P147 17Dec18_50exo 17Dec18_P132(61) 17Dec18_UK009 17Dec19_21exo 17Dec19_P82 17Dec20_P103 17Dec20_P123 17Dec22_24exo 17Dec22_5P73(31) 17Dec22_P81 17Dec22_P89 17Dec08_19exo 17Dec08_26exo 17Dec08_9exo 17Dec08_P31 17Dec11_18exo 17Dec11_22exo 17Dec11_27exo 17Dec11_48exo 17Dec12_17exo 17Dec12_4exo 17Dec12_5exo 17Dec15_13exo 17Dec15_23exo 17Dec15_2exo 17Dec15_39exo 17Dec15_40exo 17Dec15_43exo 17Dec15_51exo 17Dec18_25exo 17Dec18_28exo 17Dec18_33exo 17Dec18_3exo 17Dec18_44exo 17Dec18_49exo 17Dec18_6exo 17Dec19_15P169(28) 17Dec19_1exo 17Dec19_32exo 17Dec19_41exo 17Dec20_30exo 17Dec20_45exo 17Dec20_47exo 17Dec22_11exo 17Dec22_14exo 17Dec22_15exo 17Dec22_29exo 17Dec22_42exo 17Dec22_7exo 17Dec22_8exo 17Dec08_P110N29 17Dec08_P90 17Dec08_P98 17Dec11_P88N15 17Dec11_P99N21 17Dec12_P108N27 17Dec12_P94N18 17Dec15_P104N24 17Dec15_P126N33 17Dec15_P164N44 17Dec15_P29N6 17Dec15_P36N11 17Dec18_P101N22 17Dec18_P127N34 17Dec18_P136N38 17Dec18_P162N42 17Dec18_P28N5 17Dec19_P192N49 17Dec19_P37N12 17Dec20_P109N28 17Dec20_P95N19 17Dec20_UK001N 17Dec22_P135N37 17Dec22_P209N50 17Dec22_P32N7 17Dec22_P35N10 17Dec22_P91N17 Factors Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Early Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Late Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal Cancer Stage:Normal 15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+K] [iSTD] 52424.1473 20295.6283 32049.7313 15996.7406 25563.8930 39158.0868 41691.2346 25090.0584 19934.2593 36791.9125 30156.0725 20622.8166 24365.5887 14379.7986 18297.0196 18610.5300 24182.8225 48080.4358 19848.0394 31183.1338 17549.8144 27347.2687 21998.9261 15735.5522 13377.3282 15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+Na] [iSTD] 143529.9810 106741.9005 71847.2031 92170.3383 51766.0687 35419.8998 61847.1311 40803.6889 61909.5678 35217.7392 49246.6022 49555.7999 51948.3112 43266.7822 52770.1966 53917.6795 25448.1587 57863.0374 41373.9277 59921.9247 57598.8761 59470.1149 41847.4845 49569.5992 37568.1332 181762.0559 75114.0764 153883.3574 120491.2953 97128.0642 61773.7553 131752.7556 43993.1649 47594.2496 55479.8136 86093.2944 114489.1366 43424.5798 63428.7356 43762.6037 45248.1009 40084.6617 36968.8491 26519.0112 38984.5178 36655.3625 35505.4860 49825.1260 48747.0615 47719.4198 54493.9437 51957.4842 46781.3903 46411.9009 53507.9860 45550.9572 65979.2907 53727.1107 38785.9476 31911.9114 93971.6600 62764.3735 89917.6850 25589.2426 51720.9251 42837.9446 47182.7708 43255.2936 42183.6862 39418.3212 84311.0386 31743.9284 51193.1800 45043.7790 37305.9720 44512.0769 39303.9150 40099.5832 55065.9220 15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+NH4] [iSTD] 585636.1849 156080.5053 289026.6006 539417.6031 405360.0268 237608.1873 139695.6732 315511.9233 162897.6322 323283.4762 179262.8687 206626.2534 185855.0306 193295.4183 178816.5455 175512.6521 154104.5984 197668.9031 167153.1015 92064.9289 191732.9991 172442.2264 191658.7891 189664.7034 179853.6121 221394.8483 227652.8392 149307.9881 149917.9128 568670.5501 238664.7197 531074.9457 654147.5896 328776.3389 551428.6869 613128.6228 220431.0362 106519.0387 266135.1272 225433.4284 220999.2367 287280.6754 206751.1991 265725.4586 363431.6479 179074.7628 313958.9868 156938.3043 167634.0465 171098.7976 163265.0432 154457.4066 167160.7188 181491.3613 171203.8179 188038.4470 195941.0754 200300.0313 174116.1933 156192.5821 175269.3188 135921.9078 203150.5773 226497.3268 220891.0137 152882.9762 170914.7438 112965.5207 312314.5441 305790.6925 469584.3571 620785.8168 478725.4164 155322.7070 183556.5476 306451.0238 151340.1142 208439.8416 247820.4025 187502.5282 173594.6173 176574.1035 194379.7426 140174.8325 133025.8409 218540.6798 168926.8050 164486.0815 181861.0095 154039.7375 109260.2041 211004.1980 136885.1702 154737.2840 234989.4034 15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+K] [iSTD] 21678.1468 15327.6740 21541.6259 16709.0326 15825.9510 13417.3562 15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+Na] [iSTD] 75657.5725 42876.4596 53714.9240 28919.3592 34884.4828 23552.6766 35652.8551 27231.5456 27539.9298 27083.5798 22492.8742 27594.5223 30350.4470 13249.7195 30263.0249 20634.1123 32068.0699 31817.5301 32514.8062 24843.0586 27638.2858 20864.0451 99552.6506 43215.7996 84570.4840 62734.1376 57416.9595 70818.8093 23270.6637 26358.4308 30101.8600 44701.8431 65259.0885 25250.8491 35332.1707 23957.8371 24754.2778 23392.4437 19616.4214 21091.7873 20076.2840 17920.6394 26906.0021 25733.5347 26304.5457 29488.9207 28229.1546 24959.0197 25573.0857 29080.3867 24325.6199 36470.3318 29267.0901 19536.0175 19118.5903 49166.2207 34262.4092 52806.5577 26688.0691 23993.8259 25048.8240 22534.1354 21198.8203 20151.7113 46070.7952 17548.4877 28099.4279 23111.9729 21014.2844 24991.4732 20569.1077 21885.3422 30159.9316 15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+NH4] [iSTD] 307703.4837 87918.4759 157797.8967 286232.4723 221644.1451 123717.9507 75778.9579 169423.4477 89871.6421 168602.6715 96855.8981 109709.1665 99397.1662 103897.9412 96055.0312 93189.9367 78517.9846 104290.6198 87695.1292 48992.4263 102481.1826 93586.9372 103725.0951 100914.4536 93970.8374 116543.5297 124872.7658 78017.7889 81859.8724 317847.0759 129918.6268 286804.5901 365553.3928 177587.2248 299642.4813 334320.9228 116474.9993 55212.1390 142278.9206 122247.9653 118729.2588 155249.6126 111774.0140 143214.1035 192786.9587 93919.0305 167276.1409 83674.6409 88758.6231 91668.5594 88201.0912 81575.6075 89985.7201 97826.7097 90254.9190 102235.5924 104906.5515 105169.0912 89610.0204 81436.7631 93215.2091 70984.2797 110184.7490 122958.8876 116936.5625 80703.5924 92466.1945 62054.2244 171750.0053 160561.2761 251988.6971 339032.7262 263382.8970 81620.8734 100573.6354 163948.4776 81432.6763 109720.4189 133383.3553 101568.4831 89366.8400 93920.2008 103234.9263 74072.1607 69111.2741 117476.3014 88873.5785 86642.9662 95786.3192 80337.6694 58266.0782 113172.8152 73706.5736 82911.9413 127113.0314 15:0-18:1(d7)-15:0 TG(33:1) 13C2 [+NH4] [iSTD] 81283.6013 42758.2701 75702.6201 57160.3997 32487.6751 20000.6704 46021.1203 23514.4751 44379.4945 26534.9682 29132.5487 24484.6159 26414.9534 22957.4012 24362.2400 19890.5449 27485.7982 22034.0444 12627.1510 28814.7300 24192.4986 25925.6706 27142.9631 23917.7954 29956.5331 33129.1693 19999.1952 20050.1974 79515.9033 71505.5792 85048.9580 46045.6689 76488.3393 87727.8967 30990.6310 14420.5616 36626.8099 31916.1839 28953.0910 27613.9348 36530.2024 49734.2053 23625.8292 42913.6128 20295.8748 23709.6561 24669.8077 23237.5783 21194.4024 22226.8384 24585.7070 22902.4240 26107.3821 26289.8241 26965.0831 23950.8655 21327.6332 23671.2002 17745.8086 26843.3457 31165.4115 30562.4985 20795.4242 23308.7344 15779.1594 43345.0023 44161.0560 64542.1060 84339.7243 64623.7202 27432.9978 39361.1735 21730.3201 30648.3132 32952.2146 25555.5939 22768.2919 22437.5216 27152.6191 19130.6015 17941.5314 28928.9019 23812.9761 22532.1382 24413.4034 20745.1392 14981.1231 29076.1451 18119.2351 20158.5401 33086.4745 15:0-18:1(d7) DG(33:1) 13C0 [+Na] [iSTD] 51894.5382 38691.2235 20335.7796 21093.2958 18789.5733 18151.0146 24389.3029 17435.0308 23062.9583 19466.4683 21196.7955 13120.3239 21463.1575 21653.0258 17558.5390 15691.6599 52131.4585 16365.1364 25517.3772 29519.7330 27662.7959 21357.1411 22594.1499 17652.8120 17097.4867 16792.7725 19869.2919 18329.4759 16943.7696 39273.1981 32869.8147 23671.6565 19425.9323 20480.4786 14780.3198 15227.0555 18720.6484 21035.6907 21543.3224 19410.7745 13535.0938 15841.9527 13955.8760 15299.1150 15:0-18:1(d7) DG(33:1) 13C0 [+NH4] [iSTD] 49686.8575 58273.0210 45794.1452 25979.7737 18195.3550 35427.3495 24828.9367 25269.0482 21312.4503 22850.5812 23397.9124 20770.6513 25777.0024 22965.9660 19881.8281 15948.7681 32475.1819 19782.0334 23849.6517 22164.7293 20962.7458 26072.2886 29266.4735 20076.1096 20391.2176 49829.3285 49409.0134 54205.4074 37544.9302 72650.9592 71888.4139 25152.2135 11498.7548 24372.9084 27293.6151 24525.6705 32156.3254 37123.3187 22751.0611 39670.3226 28429.8681 27731.4453 20799.2869 27849.0553 25141.6615 20881.0605 21313.6786 20914.8280 23393.4098 25162.6239 24760.9042 19941.9600 18413.7936 21339.1750 18082.5557 24603.0324 27604.0293 25698.0628 19485.6810 22264.9025 15394.8301 31353.3627 81103.6452 51867.6582 35285.3787 20495.6298 31913.6940 22533.8910 21279.6681 21360.1550 31148.4537 16647.3606 23301.8703 26452.5833 22117.5342 20156.5654 21743.0215 18567.0422 14602.4791 24948.3924 19082.4665 21070.0221 26948.9016 15:0-18:1(d7) DG(33:1) 13C1 [+NH4] [iSTD] 10473.2384 15:0-18:1(d7) PA(33:1) 13C0 [+NH4] [iSTD] 11206.3268 10576.5613 14492.6423 13081.2330 13657.5595 13495.7694 14623.2483 19599.3880 17125.5802 10513.6421 15916.8996 11019.1250 9654.3991 15:0-18:1(d7) PC(33:1) 13C0 [+H] [iSTD] 6561011.1900 679900.4967 2337007.3380 3101395.9270 2730072.9030 1884196.7960 1599216.7340 3594025.3290 1383911.5240 3085097.4620 1858762.2530 1817734.0710 1630061.6490 1778717.9350 1585852.7800 1183887.3330 1383084.6410 1421691.7010 1180244.7270 824104.9684 1561119.1790 1237819.4450 1366920.8370 1585621.6180 1453788.3110 1629860.5890 1334662.8500 1179705.5340 1197982.5300 7012718.6370 2291198.1240 6898674.1510 6531079.4090 2393684.4620 3048779.0370 3144352.5440 1593078.9490 1031038.8000 3333718.5490 1577694.5690 2077317.2300 2195251.3140 1686232.2190 2503610.0830 3813962.3090 1516639.7700 2900913.7470 1548323.6810 1529707.5620 1192401.6890 1347236.8080 1414023.6290 1101688.1690 1188216.6830 1184188.0220 1376974.4660 1406858.0500 1500154.0370 1492087.3900 1381635.5300 1368286.9730 1108946.5240 1650436.1740 1642927.7260 1621886.9780 1188945.3960 1325756.5150 833698.8822 2862331.5640 3204489.7060 4738631.2140 3348314.9600 3076000.9430 1085498.8880 1234238.6580 2634930.6290 1386587.3510 1746805.7800 1984269.7250 1792116.3860 1212140.0170 1271826.6660 1724270.2940 967748.5417 1344076.4510 1540911.2830 1130388.3830 1401091.3210 1593502.6880 1367186.3550 699743.6711 1384519.6820 1059415.0440 1104632.5180 1598888.9400 15:0-18:1(d7) PC(33:1) 13C0 [+Na] [iSTD] 83197.1347 180617.2586 194331.0463 126924.9757 156371.7856 128389.5715 265727.7118 139628.5920 153170.6701 83651.1538 79865.0414 52879.9417 87940.3529 74563.7959 90092.2017 73791.4658 63712.0721 62249.6332 208792.1960 486512.1591 134801.4829 199970.4155 204121.4676 107502.0083 258161.8479 149818.4258 147903.9423 204798.2182 169106.7139 123533.6950 277379.7460 87928.5998 78765.7209 87086.3917 73123.7841 85430.4580 79057.4959 73982.6618 78091.0039 98290.0777 100081.3751 87126.3912 59619.2348 76025.9490 68324.8574 96069.0135 49114.8925 243791.3232 246034.2969 346687.8214 194951.9418 185674.4568 119158.1481 120405.3121 290234.6152 122110.1451 142194.0262 294662.4244 66755.5947 81976.0209 83211.1542 85061.6359 87616.4735 86329.4562 35031.8079 70739.9541 66895.7377 82059.0499 15:0-18:1(d7) PC(33:1) 13C1 [+H] [iSTD] 2801036.6470 287978.8950 992436.0208 1334504.5480 1180989.0170 799261.0253 689506.1389 1548827.1630 592300.9179 1325379.6880 801336.4264 781287.8185 692611.0195 755005.4411 672371.7707 508381.9538 589868.8337 610060.4432 507746.5605 347689.8743 670557.9475 529765.3352 581635.0081 673627.9730 619196.2270 699144.4056 570432.0127 503385.1934 517833.0360 3018746.1180 987314.6287 2940100.2930 2820185.8470 1018445.0200 1317247.5820 1362414.2490 686983.6784 438915.5350 1441037.6050 678342.6947 892519.6591 942765.0122 725953.2835 1072178.6240 1631597.6090 648878.6833 1249772.4020 663101.4780 651003.3369 506410.8121 580702.3281 602358.7580 470377.7626 508615.0490 505818.3606 586059.1582 600922.5272 638961.9115 637469.3798 582711.5687 584108.8247 473551.9886 695943.9742 705051.9640 690459.4983 508482.3135 565430.9858 355337.2403 1227020.9980 1365418.6820 2029190.0400 1437968.3510 1329373.3930 480833.8356 535868.2629 1121403.8700 591790.2356 750816.1351 850924.2356 768536.0502 521619.0218 542622.3726 725819.7643 412801.3175 580772.1705 654402.9589 485381.7825 595634.7016 678899.7725 582420.7714 296590.3151 597507.4100 448056.3982 468885.8573 684534.7738 15:0-18:1(d7) PC(33:1) 13C1 [+Na] [iSTD] 203888.9239 79290.0933 78715.1436 71396.6933 53577.9670 67108.8852 112651.4279 54210.8859 117318.8238 60256.8754 55096.7288 62281.6223 66787.8240 59746.0683 38102.1785 35283.9973 40321.0445 34184.9360 23610.3604 35639.5806 31813.1947 40181.8694 40673.6668 38086.1149 34021.3105 35535.9403 28375.5656 28633.4019 220196.0939 89944.9238 223062.0124 210401.3103 58612.7585 84488.2024 83075.2473 46874.0578 42908.2316 109100.5279 65300.7579 65662.3109 73645.8305 72596.6124 152043.0193 54053.4425 119815.3569 38650.3053 34578.5767 37321.9632 32498.9552 36224.8348 33437.3905 35204.1075 31807.9198 33688.4116 42714.8660 42121.5250 40964.3101 38306.5930 39981.2457 26184.2655 42970.9610 36830.9244 32125.4476 30001.2023 40175.6079 20356.2049 106555.2308 103166.7163 147313.4648 83408.9525 70088.9634 49250.5523 48927.8534 122858.3311 52209.3962 64784.1356 130070.3845 61502.8061 35681.7835 37061.0875 43380.1024 28886.6267 37391.2169 36018.1986 36439.1836 39776.1323 43242.8965 37544.0453 16649.3234 30465.1821 25571.7943 29396.2397 34758.1885 15:0-18:1(d7) PC(33:1) 13C2 [+H] [iSTD] 541217.0658 188078.5841 262297.7897 230044.0008 156810.0740 133560.0501 301987.5190 116380.7020 258978.0222 155655.2544 151197.7466 137735.6540 148477.6176 131899.8885 100212.1088 118342.7872 116135.3040 99371.6673 68829.9033 129620.8433 102876.5754 115955.1499 130303.0473 120737.7564 133126.5333 108390.5048 99219.9078 101100.3925 582955.4248 197563.2750 569183.0076 539832.6591 197298.5727 257477.0159 267976.1640 130649.6737 84887.9617 280878.2785 132239.3088 174835.9207 184897.7304 144458.6899 207737.0983 308567.2486 127721.3572 244355.3238 129502.1922 126937.4563 99839.1901 114616.5165 118809.5093 90858.1707 97814.8315 99807.9014 114656.3872 118111.4163 126058.0413 121753.7470 114007.8700 110863.3827 91468.8816 139140.7152 137106.3452 136329.2942 99676.1137 111877.2796 68521.4027 238262.5916 265840.7212 400731.8339 287649.4183 260611.5332 90541.0655 102126.1783 218079.4207 113415.5648 151352.3862 166261.0093 149964.0056 100170.6689 105675.4514 143043.6743 81807.8050 112225.7934 130041.1108 93181.5635 115229.9459 133798.8088 112589.1076 59371.9552 117665.2419 90257.3689 90463.0817 130827.2259 15:0-18:1(d7) PC(33:1) 13C2 [+Na] [iSTD] 25094.9531 49711.6079 45935.4798 23469.4169 33123.1593 25067.9258 15:0-18:1(d7) PC(33:1) 13C3 [+H] [iSTD] 64810.4831 14212.2635 15064.1569 66504.1111 63486.7383 68812.5368 33319.9637 22355.2445 24641.7532 38534.8413 16055.1292 15967.1885 13213.2980 14884.0977 13500.6175 14983.1357 17064.7213 31763.3497 18326.3993 13870.4925 15498.2552 15:0-18:1(d7) PE(33:1) 13C0 [+H] [iSTD] 11563.4894 15452.8042 12913.2419 11785.0118 15121.2535 11043.5777 15464.9506 15814.1828 17959.0745 14954.0829 11638.4616 13540.1364 15630.7624 9440.2344 14388.5551 17674.6214 18035.1745 11887.5970 46246.0329 12465.4985 11711.9885 20275.4910 12386.0146 16294.3162 15224.8402 16914.1389 15:0-18:1(d7) PG(33:1) 13C0 [+NH4] [iSTD] 32400.2910 25720.5479 30759.3461 22759.7774 24401.6919 29251.9594 35862.3833 31447.2066 25184.9712 21458.9193 49416.1020 27478.2421 33421.3966 27451.1561 27437.3658 38423.3267 44358.8934 24235.5999 26504.5701 46702.2403 49240.2564 30523.2430 23872.0882 34559.5027 29441.9088 43183.9709 25423.3063 36157.1801 39480.8398 29407.9504 41953.6476 36198.2976 25945.0881 29826.2533 26431.0059 31634.8204 32644.1535 34739.3813 24445.9853 23174.8470 26231.7142 23799.5340 34905.9090 39357.3786 40187.8576 27917.6208 32274.4229 19214.8763 124864.3022 79790.8415 22396.9054 31749.1495 23507.2064 25252.6345 27060.1210 47084.4949 19578.3026 30587.8918 36994.4555 28314.9793 23847.9943 24964.3041 22572.3655 16839.0438 35674.2394 24450.6040 27711.5554 42220.7380 15:0-18:1(d7) PG(33:1) 13C1 [+NH4] [iSTD] 12383.9131 18:1(d7) Chol Ester(18:1) 13C0 [+K] [iSTD] 109108.0089 75081.8881 83660.1991 30008.4552 30897.2150 21763.0649 21208.0486 48572.5225 22925.7136 171446.3735 13755.3546 40004.9555 17573.3903 26346.2862 51611.0280 150744.2327 24046.0903 99830.9918 50094.2225 45148.0263 84267.0930 40753.5184 39562.5859 19053.8428 67677.6134 43200.2329 27637.6480 68534.7166 65855.3482 92824.1876 23817.9143 74528.3200 72441.1008 47781.7133 23976.7951 53020.6847 32162.4835 35125.0843 11486.3191 37455.5315 12747.7236 28777.7066 115177.8886 101605.8184 13033.2402 46077.4584 23625.3452 48185.6464 64933.7294 204009.2981 114025.7755 73593.6187 85635.3702 76771.8740 13577.8682 25006.2211 55710.1202 56730.1434 24139.4923 34000.5585 19629.7320 42228.4177 18:1(d7) Chol Ester(18:1) 13C0 [+Na] [iSTD] 99220.7724 249825.1698 320916.4501 248873.6722 226345.9950 82599.6740 269417.7686 143881.4037 218149.7317 286734.7694 108279.2266 133028.0882 282032.6708 143013.0991 222471.2212 167556.5488 167438.7067 163378.3157 132411.1114 155085.0599 134373.4929 170669.1311 143326.5596 411831.5304 281270.3141 168544.7518 121273.5783 445797.1652 200086.9262 412090.5886 370912.8382 236456.4865 321094.0345 285856.0459 153041.3949 121235.5663 177022.7138 256944.8566 284158.8781 141940.6787 128045.4930 407527.6231 147386.4185 230423.4058 268393.9314 210540.1056 113050.5805 130671.4727 218452.9948 72263.5470 106749.5409 174739.8713 148447.9552 124523.1723 127229.5684 141549.4084 150320.1427 137175.0574 155215.5114 332438.6055 401414.9795 345186.3785 140346.3269 112431.8138 96252.7328 254253.3038 286457.1385 339067.2132 288376.8665 158215.0499 205964.0786 170966.6598 236501.0151 122522.4228 272934.2077 150414.2846 150063.7642 235939.5208 148693.3259 241107.7798 141393.3972 99150.4278 149085.4984 147336.3047 115434.6169 120985.4559 364441.5947 142701.9369 368375.1368 317234.9448 18:1(d7) Chol Ester(18:1) 13C0 [+NH4] [iSTD] 1928450.3790 599294.9571 1259240.2640 2077617.0580 1594317.6080 952112.8627 484023.7790 578795.6851 1017086.0020 1253259.7230 1424794.0850 478788.7890 497276.9844 1231836.0590 551267.6160 888426.3319 601059.7938 510204.1529 578438.8589 1088596.8510 557335.1383 601359.0452 550720.8150 518070.7843 1793820.6410 1757326.0400 497042.7016 497951.6629 2032196.3260 903710.8007 1896894.5740 2027230.7180 1353321.9900 2224107.3390 2353656.3930 788252.1862 367775.4499 1167658.2630 767525.5404 1525708.2330 666069.3025 551418.8298 1852091.9290 856775.3063 1227976.7690 743676.6263 969391.8345 919590.4681 514504.0376 924662.7409 889189.0767 450460.6228 521691.6878 546915.7251 629168.2641 607439.0000 718341.9248 501617.5724 458648.6086 491346.6216 443191.1266 1706049.9650 1878678.4940 2133314.9890 487165.3533 513925.7201 349717.4336 1180505.6450 1140317.7320 1542166.5650 2596800.9850 1906200.7600 590755.7246 781466.6385 1041012.2370 1395630.4500 675090.1189 1273964.5640 557990.9264 541848.7143 1060984.9710 411942.4823 831326.4959 650973.5878 532897.1438 478832.0833 531755.6959 447430.2225 359333.1503 1773554.0380 453545.1537 1413087.3290 1914564.8390 18:1(d7) Chol Ester(18:1) 13C1 [+K] [iSTD] 53703.1616 43381.8024 41877.4246 24898.5782 81982.5073 20333.6842 14612.4433 26295.3104 70773.7349 12521.7838 48086.4334 35132.0772 24930.7014 14276.4964 37826.2712 31161.3926 43018.6263 37077.4016 34952.0491 25298.7043 12916.1359 24824.4146 18788.2196 18931.0467 15167.1495 55562.2311 48158.5105 22565.8678 106861.5861 54897.3411 36124.8834 41250.8815 36073.0932 26606.4642 28479.3246 15555.1257 20906.7278 18:1(d7) Chol Ester(18:1) 13C1 [+Na] [iSTD] 121074.9519 153438.4786 120654.1519 109861.1918 41316.5658 126578.3484 71132.6406 104174.8458 139192.2694 51361.4777 64521.8095 136415.4061 69145.5033 104382.9947 79965.7609 79887.2867 79821.1356 65441.6652 73481.5677 63307.6459 79735.6311 69276.7460 195856.5129 134593.0503 79639.2534 59093.0720 215112.2847 97409.0947 203699.4078 179673.1034 118505.8231 157435.2867 136697.2801 73952.2845 57924.9731 87160.7904 123708.8430 139257.0534 61224.5159 195160.0732 71495.8609 111394.0462 131463.6204 104119.7167 53967.1891 62922.1041 103693.4570 35684.6816 51565.8482 86135.3499 70352.4789 60089.6111 60038.3345 71061.3772 71874.2705 66119.1243 73142.7586 159709.2588 190470.6071 167449.2291 67073.0957 55147.1658 46252.6401 124437.8578 137788.8058 159426.0996 147899.0663 77006.3125 100919.8145 82612.4665 112624.7429 56707.9924 133905.6161 72086.4295 72604.7489 110168.3063 71594.5233 117775.2171 66391.3320 49182.4601 70153.7530 72141.8161 55282.5444 57704.0179 176469.9353 69918.3496 177446.0376 152425.2919 18:1(d7) Chol Ester(18:1) 13C1 [+NH4] [iSTD] 919987.8350 284510.3590 601433.3135 982190.6743 755296.1276 459421.3787 224975.6072 275832.4556 456826.5375 556382.4137 681899.5479 221861.3891 226748.2250 578401.5180 257144.6721 422425.3962 287728.5119 242173.7769 253112.9414 527216.7981 267964.2040 283139.2305 259993.8814 251059.0803 860961.8828 836387.3558 237905.8463 241770.0241 967484.7761 433208.9867 893570.1192 965035.7917 635047.9117 1071982.5130 1120886.2840 361562.3493 178029.7604 523117.6806 364992.5225 737305.3647 303849.4240 261399.2941 865450.1619 407771.8168 567008.0551 360005.6467 457058.7966 440306.0264 244618.6724 433333.5482 420523.7081 217860.9819 246232.5769 261109.6675 277759.6296 288740.9721 307084.1405 236603.4441 218895.3744 235347.8883 210587.0139 807368.8390 891962.3841 956595.9754 231833.9372 241703.5921 165802.7640 567436.6881 554580.6403 738930.2309 1243902.4720 908211.6655 278940.2354 368689.6683 497144.2100 672447.2040 321305.2948 601652.2479 244543.0163 257156.5786 503641.3327 196360.5529 391380.3122 313485.0046 257956.4345 228753.4728 254303.5038 209385.0263 172438.2881 828371.1875 214854.5936 666492.9069 902515.3481 18:1(d7) Chol Ester(18:1) 13C2 [+Na] [iSTD] 23816.2475 17379.0891 25572.2670 31387.2577 15611.1686 30546.8255 16161.3626 24282.3699 17720.8765 18711.6709 18715.9296 17214.2120 15392.8661 18198.7241 15139.2076 44338.8977 31721.7997 18040.1272 14285.4189 51773.4439 45795.4408 29530.3630 12929.9512 29842.1895 29348.2842 43578.7557 24679.2702 27666.6121 23838.4048 13167.6623 23640.6478 13734.6340 18729.5962 15631.1030 15068.7465 15227.5200 15556.1606 15900.8932 15423.9554 15483.4175 36899.2219 40714.4823 36597.4450 15340.2217 33559.0973 21528.5428 28527.3248 30397.4881 15809.4600 16879.8844 25587.3389 15515.9780 26880.5410 16247.0852 16315.4725 15650.4086 12218.6077 13702.4250 39190.2250 15014.2312 40327.1322 32388.0674 18:1(d7) Chol Ester(18:1) 13C2 [+NH4] [iSTD] 210478.2623 137150.9132 222759.8655 174001.9771 103656.5270 49983.2711 62511.5916 99329.4303 120886.2257 153629.4818 48790.0456 52087.1952 130398.8875 56734.2625 96343.8310 64115.7366 56585.4483 57960.8640 115640.0870 61568.3490 64074.4718 58995.9284 55708.5091 189802.7762 187435.9146 53714.1303 54520.7818 221014.1347 97895.9842 206724.8709 214150.6690 141620.7356 249595.6726 248530.3335 81534.2243 39334.3582 110915.7298 81253.1937 164583.4111 60262.1597 192634.5803 91277.8034 128661.3652 78598.9049 104217.1290 99842.4091 57546.5380 98858.5664 96084.1751 46885.7885 56061.3925 59241.0118 59227.6768 65264.7958 67008.1143 53519.5847 48497.2454 52913.0539 47286.2221 181672.6409 200932.9867 210638.2242 53628.0041 55591.7769 38748.2222 128898.3104 121171.8263 160753.9066 283041.2713 207136.7789 62944.7074 84011.9154 110865.7492 153459.1276 71770.9122 135801.0128 53524.9331 57730.2676 116092.6645 44148.2772 90778.5102 69755.5007 58524.8597 52144.8951 58118.3064 45536.7167 38692.3186 188114.1662 50173.6015 148182.7827 203315.9767 18:1(d7) Chol Ester(18:1) 13C3 [+NH4] [iSTD] 22566.7120 19713.7400 14807.3760 10034.5589 27874.1472 30761.1488 24080.7345 28495.0836 19358.2584 14667.3033 14877.8402 14832.0478 25772.4751 30255.2280 27835.8411 20265.4781 17407.5041 12443.8351 26615.3244 21246.6550 29284.3999 18:1(d7) LPC(18:1) 13C0 [+H] [iSTD] 1256373.7320 132415.8431 456559.8861 610651.8942 548099.7384 365063.4666 327468.0440 687242.1875 271373.6749 595400.0239 368049.1860 357603.0938 324154.8583 348728.2813 319422.8475 235311.0522 271684.9354 277835.3571 230492.6374 161616.8805 302012.7447 244392.2439 274599.8732 313096.8157 284277.1486 288729.0288 228480.0297 214004.0360 213781.7051 1347555.2320 479238.4214 1324846.8380 1238464.7220 482117.6388 616393.8793 620595.3070 311496.0586 191299.7096 645009.7259 305394.5051 409534.2514 422478.2510 343733.3753 491812.6913 722301.5204 304429.4820 595303.1811 299169.2304 284245.4405 230610.8689 259120.1099 273893.8032 214016.1559 226317.9611 232512.2673 266038.4739 281582.7881 294041.8166 291443.5362 271472.8902 267160.0786 203835.0595 286275.6037 293843.9916 289364.3210 212326.7648 239547.5140 148014.6798 577811.5180 659337.1455 974330.8565 638654.5452 585355.1384 216841.0640 241663.0077 550159.3146 270992.0355 354366.7473 409785.3814 346036.1611 237534.9640 250247.6928 331475.4747 178768.2298 258834.6008 287553.4073 220920.6672 275499.6996 311899.5394 266051.7714 126708.9261 246359.3314 192143.7127 206575.5520 274633.4252 18:1(d7) LPC(18:1) 13C0 [+Na] [iSTD] 123201.5830 51541.4967 57056.2108 50037.7869 34823.8460 40916.6424 65238.1365 32211.1855 70268.6065 37262.0829 35085.7590 37260.7685 43297.1810 38181.1172 25758.9547 23149.2224 27745.0136 22492.4854 16719.3851 26346.2071 20588.3925 26643.7199 26294.3617 28141.3814 20181.6074 18478.8487 17069.3060 140329.7345 61446.9972 140257.6941 126898.6972 39174.0770 57048.9889 61809.9998 30859.1442 25677.7126 65922.0378 37974.9967 42260.2034 44786.6237 48104.9198 92686.3236 32476.6988 73993.7075 23547.6286 19787.9797 26773.3995 22433.5667 24271.6639 23940.9346 25588.5169 21886.2990 20169.1084 28313.6718 28865.1565 26548.2350 24742.3531 25375.2654 16833.7183 24216.6265 21752.9595 20020.0366 18433.4091 26265.6459 13296.2854 65411.5150 70469.0498 95524.0926 54345.6488 52377.8375 28306.1289 29247.7753 76414.1520 31957.6047 39140.7458 77887.6473 38531.0034 24649.5715 24053.6286 29904.2202 18975.3346 23935.6328 21090.9151 25369.1025 24777.1897 28611.8567 24251.0369 18148.5148 16432.2243 17946.4329 19658.4089 18:1(d7) LPC(18:1) 13C1 [+H] [iSTD] 339331.6175 121074.2325 160687.5118 150079.8663 103223.4218 86165.1420 185731.7729 71430.1620 161304.7521 98158.1118 99653.9842 86563.7583 91839.2549 85103.9376 62540.3757 74181.8465 74027.9507 62083.2124 42748.5999 79959.2040 64267.0502 74078.6436 82376.5967 74509.3524 77643.7215 64117.5528 56854.5467 59441.5651 361803.0907 125269.1952 356262.1162 342927.1566 129921.7100 162886.5688 167833.0748 86761.9877 50969.8540 171242.6514 83019.4156 111344.5353 128914.2742 92146.8527 134240.9788 190067.3557 82066.5013 157091.7777 79141.7106 75288.3486 62938.3467 69252.9288 73509.3017 57651.6033 61460.6897 63025.8758 70085.3810 73386.0633 80001.2352 79816.8529 71651.6450 70477.2893 53951.1960 73813.3644 75480.0609 78944.1149 57049.9560 63420.4812 39488.9398 153674.3299 177194.9059 268662.1893 170321.3287 159419.2411 57770.7374 64460.1830 149755.9516 73869.8923 95209.2221 109200.4826 93158.5797 62290.4642 68032.9231 90343.4459 47883.9627 69494.0336 75142.8813 58915.4352 73130.3979 84074.6933 71558.4380 33957.1011 66447.8823 52082.2547 55253.0168 72287.8673 18:1(d7) LPC(18:1) 13C1 [+Na] [iSTD] 49688.4416 28994.6157 15917.7987 17079.5897 16699.4398 13340.8890 13441.5338 13741.6875 12956.8803 15958.0621 11660.7496 50829.5511 49622.2975 23870.8929 36574.8839 14216.9333 12129.8152 15753.5641 16253.1834 13705.3871 12398.3332 10980.1628 17441.1065 14252.7872 32096.9578 28353.9174 15814.6821 11866.8589 12994.0085 16693.9664 12094.7507 12423.0628 13406.3572 11316.6290 15481.3019 14056.1366 18:1(d7) LPE(18:1) 13C0 [+H] [iSTD] 11820.5392 15688.4765 14680.3697 13446.9953 15481.6474 12582.1451 16201.0947 12020.5781 12580.8761 15853.3743 15594.7171 12958.4937 17145.8097 14936.5345 12832.2356 12861.3762 14319.8884 15791.1417 12491.7835 10534.2603 10963.0046 15325.1457 18275.3869 16976.4478 11916.2338 12162.6824 12380.6966 17521.6782 13246.4093 15773.4276 13381.1830 11061.1142 12034.4091 10757.7226 15430.1427 10588.3108 13520.8061 16778.4803 18:1(d7) MG(18:1) 13C0 [+Na] [iSTD] 239223.0470 207619.0833 127515.5125 95589.1839 88788.8391 85962.6196 55311.3036 198324.8399 22798.8605 114209.1411 70126.5608 35479.0639 47106.7306 20291.6806 35346.2970 22283.5679 12537.4670 14442.6123 20779.6260 44387.1492 27538.1956 30337.9923 18414.4482 36544.9882 47512.8371 11585.5307 14638.1826 211751.3762 169609.0350 326481.6758 378759.1824 75152.8823 71804.9029 102698.8959 46893.6526 11878.7524 160268.8096 27018.0431 27833.3282 95070.5005 39840.9546 44324.3516 79277.5639 27511.2459 50352.2198 24569.5890 24781.0344 23221.9303 23427.4491 20354.8914 33148.8431 15558.5616 43451.2654 32718.1108 18403.1428 30961.6489 18786.0522 20598.2307 19650.0943 80361.5609 74381.8870 60624.0675 12952.9323 18127.7770 135438.7656 199909.5944 150090.6415 115061.8978 75295.7169 39859.9683 43791.5280 38386.6547 28049.4950 35204.0511 21728.1738 21591.2014 26202.4590 12035.3757 24108.5452 14954.4617 21223.8519 32484.1800 24365.3781 17320.3627 13240.1727 75528.8049 11799.6731 72075.6094 59117.0369 18:1(d7) MG(18:1) 13C1 [+Na] [iSTD] 56663.2750 21473.3538 43773.5315 28927.1741 49164.9978 40113.3676 76492.2973 82879.3462 35856.7074 18195.0759 17313.6736 15815.2933 48088.1394 17547.7029 15960.4549 CE(14:0) 13C0 [+NH4] 78561.3493 132567.5824 146875.5419 28632.0086 44916.2565 22864.5668 17267.5481 11751.7609 23971.2673 17025.7601 21671.5590 45482.2937 47090.3707 58260.2569 101088.0545 30872.6561 33455.3987 484472.2097 23090.9986 72099.3225 54581.8124 26791.8590 15173.7102 12803.1908 15793.2742 15265.6416 22004.3923 18812.1505 93365.8500 52595.4051 79413.4668 28435.0341 73811.6514 31656.7588 12023.9819 17530.8908 35022.7521 CE(14:0) 13C1 [+NH4] 58924.9583 64008.4268 22281.6251 213820.2833 31324.6999 34387.9343 15083.4392 CE(15:0) 13C0 [+NH4] 44257.7416 42942.7165 23617.7616 40228.2401 29889.0182 53632.3858 1234349.5360 102762.3570 55383.6703 17071.2724 29457.6716 12281.7509 51180.0940 CE(15:0) 13C1 [+NH4] 19326.9006 47685.1989 25895.4529 CE(16:0) 13C0 [+K] 16314.6682 54104.6242 15388.6838 38432.1876 13085.1709 40559.3394 16701.3531 22461.2329 20810.7698 68876.7077 20932.4472 12790.6308 31397.3711 21994.3187 23251.1278 16737.6295 CE(16:0) 13C0 [+Na] 221395.0705 193935.5247 198646.2914 77741.4576 117763.3994 101473.7416 65344.9720 54219.5512 63472.0753 42074.5452 35183.2893 37123.0332 63793.8786 39259.0326 45549.7924 40538.8250 50254.9296 35994.5890 48777.3397 88385.9311 73549.5039 86627.9278 17959.3576 18036.6305 73398.2717 41613.1637 56168.1200 100547.4801 145071.6751 170533.5429 69188.4650 33763.8818 31500.1832 59039.1616 69650.3323 192845.7225 103822.8085 95085.2686 82654.9348 42767.0783 210082.1181 43612.0915 72493.7016 30919.1256 39051.2163 50558.6750 24268.3774 104343.0260 69417.1622 47837.0650 18377.3170 59213.2583 56920.0432 35556.1211 50659.0889 19792.7429 19400.8937 122415.0975 93500.0048 22878.4569 65673.8464 76808.8376 241648.8978 89286.7312 142025.7622 33187.2779 87225.0498 155965.9458 32264.4875 72836.1732 27556.4647 40120.4253 35033.5641 107648.2571 40910.3999 32519.4564 21362.6514 40156.6421 41391.6200 15688.3784 83988.4180 25909.3505 38335.2328 47845.5836 CE(16:0) 13C0 [+NH4] 1478144.9360 78445.5780 2207268.3890 1806160.6820 389545.4771 45236.4275 768655.7866 33527.4555 776278.9509 71432.4005 365469.7492 322881.4647 375952.8838 211481.2556 136481.8615 154413.6106 236956.6939 120650.1674 158530.7255 357629.9697 193153.3617 176931.0390 165505.3540 351493.4603 329851.7575 543241.0391 52943.7661 71270.1859 437394.1380 117840.7932 216548.6704 438915.7377 661531.1124 1662919.3040 2386640.6580 405143.5422 140113.2324 180800.8643 317358.2702 459241.2466 1954366.1600 671944.0358 650842.3974 619542.8948 257476.9272 1951475.4120 157875.2252 343530.0224 149604.6036 258551.1611 219396.7042 145206.9932 586588.4212 256298.0605 201741.9794 79731.5179 335001.2311 227742.0660 115818.3434 211060.8987 58662.2234 103226.6814 603349.1762 493767.3873 78890.3249 322391.7434 39962.8304 108697.5939 474317.7594 2099783.2440 1057856.9990 1351025.2630 176279.9751 506405.9749 1151934.9110 207556.5258 629368.1102 148835.1843 147354.1570 130214.9026 570396.7024 124633.7387 171265.7299 32340.2210 77523.0860 166252.5307 171802.7986 48153.8603 439613.8187 81926.3636 139594.2473 296907.5658 CE(16:0) 13C1 [+K] 25242.4621 21414.2513 32492.9538 CE(16:0) 13C1 [+Na] 105744.7401 90107.2471 90536.0655 34947.7473 51736.5468 45959.4990 29570.3583 24373.3993 29868.2845 19818.0961 15933.8656 17119.3207 29909.4092 18596.0469 21086.0920 23270.1299 18243.8575 22631.5514 41517.2912 35604.4534 42260.1107 40276.7646 45325.8296 67707.7248 82256.9467 31989.4031 15513.3890 29039.1982 32314.9358 97004.2618 47017.8600 43945.8394 39817.9285 21073.1449 95540.5449 19636.3065 35393.7449 15516.7208 19381.3056 23566.5971 47903.5821 30947.7874 20684.4294 27076.2454 25551.3450 16459.3428 24055.6604 10833.3990 57131.7201 43268.0490 12148.4026 30481.8939 35595.0763 111756.4493 48155.8763 63437.2773 41577.0322 70184.4313 35769.0278 13581.5387 18757.8536 16765.8399 50190.4265 19464.2009 16924.0736 18881.1026 19012.6031 37382.3182 13185.1053 18036.6142 24975.1003 CE(16:0) 13C1 [+NH4] 675749.3857 40080.5868 1005293.2020 830417.0886 181026.3900 20868.2297 356190.7918 17570.2723 355039.3600 33051.0211 168188.0410 150299.8554 172455.2070 97531.3252 62003.9668 69447.6576 111441.7746 55674.6832 72045.5992 161897.9018 88086.4240 80589.0338 75201.9995 160627.4642 154987.9496 250898.9078 24536.5084 33408.7923 203050.5706 54782.6151 100615.9928 203518.7154 311414.4189 767371.7036 1079570.9770 189995.9926 66741.8219 84132.2737 144266.9310 212414.3448 887448.6898 310890.7964 296405.7653 290734.5415 118364.6553 887786.3351 71094.5448 163439.4390 68362.3426 117551.8338 102496.1614 66269.8071 269386.1641 118350.0776 92582.8691 37002.1022 154114.0848 102654.5156 53214.1932 97690.9899 25750.5908 48648.1804 275682.3825 225131.0636 36631.0344 147605.2493 18798.2351 50649.9562 219410.8188 953495.4139 488840.9325 615239.3452 80072.8650 233550.7525 520414.7770 96051.7635 294869.3715 66132.8473 67447.9285 59719.3449 259598.9286 55123.0317 77898.5424 17889.9837 34038.8206 76286.9887 79556.5892 21536.8845 202287.2986 39268.8740 65005.9516 136979.6340 CE(16:0) 13C2 [+NH4] 146621.8287 219524.2518 179258.6863 38102.0821 78299.9020 80335.6434 35922.0390 32781.3381 36689.7902 21367.5160 13494.8313 15909.0870 24356.9321 12916.5276 16189.9935 36272.3543 19633.8207 18422.8598 16899.6489 34487.6725 33869.5916 53806.6348 44694.9152 67334.8458 165192.4049 240812.2526 41097.9047 13893.0020 31430.4381 46151.1196 187595.0540 66598.6540 63911.5052 61347.5526 26015.3747 195151.7049 16003.2688 34802.2381 15905.2507 25142.9887 21877.2549 60059.1066 25111.2851 20070.3434 34067.6903 23708.5965 11335.7554 21348.3016 59726.1170 48837.1765 32617.8348 47090.0571 202492.3386 100354.7613 128363.2417 53441.7797 114272.5566 20675.1443 64475.7962 16392.5362 15528.6410 13533.7885 55555.9365 12696.2432 17470.8390 16587.3150 16792.9864 44730.6358 14542.5619 29209.2218 CE(16:1) 13C0 [+K] 27200.7654 35099.0736 25247.1918 CE(16:1) 13C0 [+Na] 109512.9790 119464.7076 66049.9799 36227.5310 42661.8045 25592.4020 16799.9099 19415.5829 18295.3526 13743.0303 23008.9254 29909.3126 21873.4818 17227.7017 13206.8609 26111.8232 29877.8590 54576.1360 35946.7219 66244.6275 56466.3336 30673.1164 11790.4322 43003.9995 26802.0726 38352.4700 29805.9664 48723.3557 25346.1357 21277.2459 31588.0943 19859.3455 20217.0171 12951.4423 16888.2780 29200.3560 19921.4341 24472.5250 69425.8014 47884.7184 43170.0681 13365.9250 55229.9347 16289.4750 16337.5262 10206.4516 42467.5051 18868.2190 CE(16:1) 13C0 [+NH4] 606841.1475 1183631.1590 510092.5778 159864.9874 131775.3446 293288.6231 125915.9678 89582.0694 101339.1742 75410.6540 53108.2308 38015.4120 76088.2437 84869.7136 30111.8061 160089.4880 61987.7708 44085.7390 39886.4596 94903.0064 126240.2126 338474.6211 24498.1452 16503.9820 84143.5868 91630.0115 173907.8939 217576.5131 721160.6689 703824.7146 148001.7649 37647.0808 41207.5262 101491.3094 244856.7530 405320.8666 159795.9569 232763.5391 213236.1352 64199.1997 445463.6066 87625.5296 85378.8250 33270.6518 37652.6992 44288.6057 43720.9588 173924.5082 64895.9864 26465.3491 18357.2099 63418.6965 71597.9916 37038.3463 64151.5705 11259.0033 22288.0404 139823.8531 91093.0814 21796.3736 124455.7960 12987.4992 73348.5731 95868.8754 552481.7267 242723.5422 407411.5824 88099.0203 98227.8195 297516.9521 49010.7621 143408.4049 30699.3216 42543.6834 26775.1040 269304.5847 21939.1034 65591.8983 23935.1560 59725.4003 32843.0685 21607.7604 206414.4531 22392.3957 36595.2077 106160.3580 CE(16:1) 13C1 [+K] 13097.6287 CE(16:1) 13C1 [+Na] 49815.1480 55302.8525 35989.4353 19807.5883 22744.5075 11449.7388 14578.7741 13253.3385 16070.0264 28119.6248 22742.5926 13202.5396 15078.4065 25118.8278 19414.0240 CE(16:1) 13C1 [+NH4] 287277.6292 544980.9656 236648.0848 72273.2334 59864.0604 136543.4556 58495.8842 41081.2593 47842.5774 33477.0736 23682.6193 18215.9911 35561.7487 40575.1773 14430.3903 73259.6783 27442.3610 20502.6505 18697.1255 44076.7992 57321.7526 153934.4997 11793.6973 43738.5408 41717.7406 78927.2783 99805.5761 328786.0229 323559.2432 70503.3154 16932.7178 45166.2306 113168.4575 186224.1782 73283.6993 110052.8054 98977.4328 30874.6172 200757.9058 39222.2243 40584.1939 16646.4646 18040.9425 19643.3217 21393.5563 80296.9894 29582.3771 13555.4111 29040.9412 32766.0302 17003.0319 29076.5427 63027.9464 40095.8796 56595.3016 45327.3746 241129.8391 113347.2185 183703.2065 38394.3848 44810.7949 134345.3336 22896.5286 69919.9426 15723.1416 20030.8626 13007.8692 125000.4079 11032.2805 29456.3208 12433.5605 28079.2723 14370.8259 96206.4549 10548.8554 17439.2317 49432.8126 CE(16:1) 13C2 [+NH4] 56714.5351 111478.8198 51120.3746 29583.5399 33155.0679 67654.7056 69753.9929 24113.7630 23330.1786 47658.9920 16884.1580 13337.4176 60879.6228 41468.6989 25986.2475 20017.3198 CE(17:0) 13C0 [+NH4] 71913.0198 51964.5077 46687.1244 39944.5354 31320.1600 22290.3408 21731.4042 29734.0418 60960.3640 10997.4792 439688.0588 20895.3060 25282.6371 53961.9237 57562.6576 26935.3911 13766.5769 20578.5676 92810.7519 44065.7816 40882.0006 31054.6092 43287.0717 31108.9695 17429.5335 25973.2873 CE(17:1) 13C0 [+NH4] 68119.2058 79358.2516 52449.2407 30724.5490 29756.7051 51009.5227 59719.3965 27269.2637 22492.1686 42960.8061 17267.3193 72552.6664 43248.4496 37394.1072 21804.8241 17403.4735 CE(18:0) 13C0 [+NH4] 113988.9561 124817.9059 111677.4393 29772.7804 63767.7523 66982.1748 27394.7457 32648.1348 35255.7067 18507.0246 18464.7159 16740.1341 15218.6727 29474.4583 15753.7997 45685.8004 13123.8353 23187.8625 23103.7876 49096.2810 12927.2358 44785.2603 52795.1024 98451.4532 122026.9124 34022.7089 17972.7014 30237.3091 31663.6674 870552.8237 29122.9521 45920.4561 113329.8962 21259.5753 172054.5638 20049.6818 17074.7687 58401.5311 12788.2385 47626.0865 25049.2089 28627.4010 17976.6238 25540.0585 36220.5668 31935.9395 33408.5926 30956.9963 181319.1297 92641.2828 101944.9689 61053.0915 85896.7102 16045.2827 87382.9035 12378.4509 46890.1392 10704.8780 20205.1208 14875.3039 14838.9833 26368.4346 17672.7410 64546.3270 CE(18:0) 13C1 [+NH4] 58621.9883 62404.4255 59033.8349 32263.6776 31105.7933 15795.0924 17692.8202 21607.5349 12253.6203 28297.1723 53354.2043 61101.7018 461060.9036 22757.8838 53700.7109 86280.1537 27820.3220 22285.7250 12352.6609 13307.9957 18053.0399 17273.2533 15466.5382 87161.0754 48267.0697 52207.3620 30470.9988 40662.3486 37886.8052 21911.8836 33416.1505 CE(18:1) 13C0 [+K] 36769.3980 28972.8543 34994.3229 29255.5003 15539.8523 108426.4873 16428.8765 29750.0425 85988.3580 26383.6344 33253.7478 35583.4159 23537.2015 68944.4351 21531.5348 154054.3152 48736.5214 27526.5829 32966.5826 46955.9466 152439.8643 37982.3898 31004.0497 26130.0323 26792.5455 68502.7297 42619.2860 47184.2891 53440.4371 53974.5240 87472.1096 24147.1626 32946.4701 16097.7465 40838.0450 14321.4410 12841.7887 CE(18:1) 13C0 [+Na] 441894.4232 369344.0169 279288.9495 161908.9624 225765.4627 196170.8486 24841.6908 109995.9824 101138.9922 105823.6558 72632.4485 69825.9205 74868.6696 97090.3188 109910.0119 77748.3671 71722.2995 99348.9472 48808.1193 74341.4543 161331.5832 125600.1486 142771.6059 47683.9426 32592.9816 155606.3756 43782.3428 86641.1382 110840.7645 195229.9296 262031.2365 251933.0372 105870.8256 63613.2950 50041.1483 127737.4076 167244.3373 209794.6814 186327.6964 174987.7147 113258.7329 84998.9735 286380.0971 81312.5918 121652.5039 44591.4742 44319.8950 81232.6026 45373.0222 187771.9299 114527.8667 69771.5067 26218.0067 114716.0731 95419.0341 66506.5502 87727.6701 45082.3936 36066.9779 212156.1618 142825.1833 48754.8875 100854.8113 21083.9117 43195.2524 163265.6639 423067.8444 181643.6474 193862.7542 58611.9954 174231.1957 275237.0300 57733.6697 165770.4225 53232.4359 69452.9886 60911.5768 176289.8824 79882.1118 71476.2398 47658.2668 76928.6160 80398.4156 26874.9441 139891.2151 45583.8483 66276.4584 72006.1418 CE(18:1) 13C0 [+NH4] 2741569.4140 177831.1830 123720.7336 4117410.4890 2502831.7410 779713.0445 73126.3838 1409064.6540 55004.5827 1453255.4850 133060.9536 623637.5817 589097.3212 612800.1709 333715.2919 285053.7540 321635.3073 365207.2420 350377.0687 282298.5007 687675.1363 392204.9107 242182.1566 251414.2593 632508.6549 578028.5065 992395.3310 142915.0648 134442.0353 899968.7383 204009.1563 424747.3661 855213.7860 1264198.3450 2901356.0740 3425749.0600 627548.6592 249774.0903 273862.9609 657263.7348 1028585.8380 1720117.8440 1175270.4150 1081510.9180 882658.0996 503448.7584 2839653.0260 305717.5943 604807.0695 220722.7896 350346.2066 362868.8407 299178.3645 1122678.3380 428018.0337 301453.8330 135872.8601 655788.0794 373725.2123 212469.5924 374287.1367 133750.8939 191861.2231 1133777.8260 820912.0006 177128.7965 543851.0944 73879.0183 187606.7232 906336.8223 3641897.6810 2004679.0300 1859917.1770 321941.9844 972075.5426 2088917.4560 399991.3367 1403518.1730 255339.0273 249776.6946 230810.8231 980983.4089 233753.5353 361339.7420 54682.1183 159796.7033 308244.8830 335399.9407 84531.9517 784390.6293 152353.0939 254291.6077 468669.1063 CE(18:1) 13C1 [+K] 17486.8405 52711.5303 16966.1620 47693.9984 15947.5789 44264.6557 15688.4551 28286.1046 24772.1080 74028.6145 21796.6784 17816.7880 35771.5743 22425.1337 24881.7594 31766.8501 51497.1857 19245.6317 21384.8396 CE(18:1) 13C1 [+Na] 217668.1994 178965.7777 136531.3581 81077.4655 108690.4625 92356.3137 53511.3947 48477.7307 51975.6512 33412.0671 32792.1555 36551.1966 47585.5768 52424.3306 37610.6703 33584.2513 48606.8423 24618.5783 36110.9000 76223.8809 61989.7088 72906.6359 23629.8728 15695.8545 76302.1470 42898.0134 61370.6638 95840.4180 126946.9128 119854.0700 52848.0605 30537.4766 27452.3502 62847.9392 78440.9643 126326.7164 88207.1492 82697.0101 60419.8437 42105.5427 141348.2405 39860.1668 58240.8195 21102.0398 25651.5773 39161.3983 23464.8745 90667.2322 53051.9673 34508.6943 54975.4943 45836.0447 31939.9023 45946.8419 21826.7942 17896.0266 102574.6507 68802.8758 23249.6237 46838.6534 79216.9622 200875.5831 88953.8482 96079.6006 28955.7932 83463.6405 136438.6243 29085.0426 77813.6811 25648.8331 32883.8461 28908.2263 84001.5746 38147.5399 33354.0454 21706.7300 36655.4223 38389.6887 13059.4318 69276.5669 22772.7353 32085.1114 34810.5008 CE(18:1) 13C1 [+NH4] 1313838.9950 93629.6992 56823.7489 1966715.5530 1190621.9890 377624.7877 34660.4828 676203.1075 26612.2631 692283.4571 63222.1641 295673.0634 282774.7256 295529.4287 160217.7112 134816.7948 154986.2034 178112.1150 163941.5381 136625.2406 329075.3350 187783.6910 116381.9686 122413.3632 303409.4418 278211.9679 477019.3853 68146.4660 63620.0116 431226.8582 97344.7609 209110.4211 419063.4280 610639.5069 1398073.2820 1630206.5320 300209.6043 121063.6378 132243.6726 313774.1890 495132.3694 815692.8840 559205.6774 515681.3049 419187.8286 240665.5125 1358304.3040 145666.8371 290507.4278 107814.4562 169395.4695 175375.5495 142924.0295 539651.2247 204391.5835 148762.5001 65877.4114 315172.3131 179370.5750 101493.3403 178076.0467 64256.4516 92291.8529 539986.8572 395342.4099 86575.3588 256004.0241 36647.0689 93611.5247 427890.1110 1754259.2930 958537.2958 892383.0857 145861.0685 465710.3496 1012670.0110 192927.1232 670831.1344 124200.8079 121921.6969 109030.4436 466861.8836 114446.2986 174963.4908 26215.4760 79114.6836 149716.5092 160406.1688 40413.3147 378173.4889 72803.4122 122968.5389 224992.3013 CE(18:1) 13C2 [+K] 18635.7951 CE(18:1) 13C2 [+Na] 51554.2035 33322.4886 23136.9851 11480.6160 13355.4921 16857.2542 15774.5746 21880.9529 20928.7060 15145.1163 21629.1973 13142.6809 23298.7086 17540.4808 32122.7358 19196.7958 15854.7222 CE(18:1) 13C2 [+NH4] 306943.6693 450622.4809 271399.2306 83671.9700 155447.5327 160574.1691 67034.6410 64019.1055 67640.3469 35625.4059 31558.4987 35125.8716 40329.0848 36827.0221 31878.7938 74242.3032 42227.3287 26447.0431 28443.5946 68116.4452 63434.7589 105091.9024 15475.3237 14986.1024 101930.8915 46870.1903 92477.7253 133596.4481 314939.6191 370406.5246 65958.6744 26896.9708 30363.2361 69985.6342 111771.0370 182582.8412 128519.7481 117236.3350 94253.3861 55381.8926 312600.5245 33573.0304 66633.4217 23815.2186 37727.2869 38348.7297 32474.5966 122333.2223 46234.1521 34808.5687 15154.6830 71439.8948 41084.8122 23394.6663 39320.1192 15184.8503 20493.6690 124269.3261 90465.7223 19225.7839 59129.4382 98760.6984 396072.3964 222516.6788 202406.8118 36341.9891 104195.4553 222195.7289 43830.2083 153724.0700 28034.3236 27378.3873 24746.1141 107660.2440 25844.4499 40581.3278 16277.9358 34267.7604 36269.4059 85294.6469 16013.1356 27502.6200 51370.5957 CE(18:1) 13C3 [+NH4] 48785.2744 65229.0047 42639.0467 27956.3840 49215.4233 58474.7117 21085.4247 45027.3575 19083.4090 19477.6793 61773.7054 34203.3367 16663.1994 CE(18:2) 13C0 [+K] 275081.0336 180473.8993 144052.8468 60080.8136 120187.9731 259937.2420 52648.9492 190489.8431 64747.4125 86616.5060 163710.2835 167899.8764 45971.6217 64932.0090 20949.0793 187585.6291 35729.0574 33131.8342 644657.7503 60546.6105 99623.3207 56296.2760 216619.9347 135220.0966 362807.2497 27026.5849 183396.0768 165642.5156 52173.4103 191683.3677 61968.9057 196287.9473 102487.3991 137604.4435 43956.4587 43593.0814 151399.1520 24770.9048 151264.4516 97219.2043 101431.4328 333778.7843 115894.4557 635775.9733 49221.4135 245949.4960 214148.3208 228785.4543 85737.5101 200792.3927 852551.7841 322801.3676 87710.7298 80681.3295 182409.9859 140546.7258 32825.3843 178867.7581 27582.7409 29190.4765 365880.8935 368589.7614 27078.2481 361736.3695 25143.8550 42738.5808 385436.1265 300883.6204 160089.6354 304073.7034 47023.8578 89130.5273 330988.2495 571784.1780 52084.3233 191318.4923 21261.8536 269606.9811 71514.4525 27442.3095 38137.6089 30517.6664 82050.0217 264874.7776 106246.7267 73684.5167 90470.9854 24410.5365 75968.0167 CE(18:2) 13C0 [+Na] 2508083.8830 138775.8201 2067330.4900 1445302.0520 543877.1978 71607.6457 1412632.1240 74661.7457 935919.4962 111079.4170 550896.0258 366669.0467 565757.7224 399392.2569 301916.6236 368511.4066 453477.5113 186103.7952 405757.2006 323706.0065 419606.2956 218116.1156 389535.3897 798247.3368 675980.5791 430765.4493 128727.1285 150547.5999 952839.4279 179898.4868 361532.4542 512468.7175 669267.8795 1359882.6630 1341263.2670 381862.3057 356084.3006 317713.7088 580624.2898 356051.7253 560769.5747 530075.9658 1197474.9510 385872.1204 412369.2669 1109616.7020 311650.3241 506793.8191 251310.5651 196306.7478 503256.0009 146178.2522 773630.0755 735743.4456 345314.4087 134296.5089 484814.2182 385769.8151 322078.9273 416047.8558 226213.5743 222291.8872 774104.2576 835086.9654 226986.7775 523047.1715 68665.4831 183421.5355 1025384.8350 2096331.1950 1126038.8100 1352336.0260 222229.8103 994790.7512 1178556.1130 327589.9095 558415.4966 334612.0611 312457.8311 380809.8790 866860.2613 487110.8832 366222.2339 45572.6843 236270.6079 322267.7602 365431.4748 153319.1547 679214.6126 239936.5466 298938.7222 385387.2916 CE(18:2) 13C0 [+NH4] 11088442.9600 408739.1945 539576.1501 18025269.9200 10276540.9300 2059264.6400 318790.0409 6620366.2660 240676.3725 5538232.7140 496538.1841 2387356.8960 1795433.2180 2560811.5380 1426717.6940 1004446.8820 1297362.5100 1373317.7230 475371.3603 1270626.9220 3036925.0020 1339048.3290 903949.8216 1042885.1900 2603264.5760 2545707.7470 2534924.9880 309446.5703 546074.9171 3854550.7470 652770.8054 1276463.0230 3114745.4870 3519753.8770 12447464.4400 14400510.5000 1875022.1970 1059584.5710 1201346.6920 2366794.3830 1720880.8040 4210260.8560 2763581.4570 5529899.1410 2609713.6510 1928402.9250 9456912.1340 930584.6263 2035694.3930 1087468.5920 1492263.4110 1878479.9690 851804.9693 4055573.4460 2219342.1430 1194237.9990 553845.9170 2296972.8290 1218918.5460 786443.0662 1428704.5080 528913.3554 886522.5134 3425878.2090 3946244.8770 637447.4398 2409736.6500 205137.0230 617861.1314 4182063.1560 14608120.4700 10112171.5300 10058994.8700 970105.5699 4699938.5050 7605140.1020 1984375.9980 3949256.4330 1220841.1020 934397.1519 1207984.2190 3885659.5170 1143707.9090 1460733.8540 213096.9752 638274.2046 1016799.6690 1257019.1810 373144.0640 2993842.4880 676617.2253 973401.6380 1975993.2840 CE(18:2) 13C1 [+K] 131157.8745 90947.1609 69660.1956 30616.3696 58656.8607 129731.8963 93184.9421 32026.9272 41860.8701 81138.3992 79854.4702 22727.3544 32038.6799 89840.0918 17808.4979 16426.1611 306700.4328 27922.8257 49356.1262 26458.3095 102313.4161 64025.3599 176618.3155 14256.0034 86187.7580 80904.2757 92409.8120 33947.1628 97423.8636 69371.3593 20922.3456 25395.4086 75377.7437 88718.8698 47976.3593 51849.4834 166076.2052 58679.9646 310644.7030 22468.9735 118567.7076 104488.6839 111516.5624 40745.8684 98266.3874 407941.6508 156111.2506 41921.4843 40318.9132 89414.5674 67890.1545 16370.1028 86030.1610 13577.0103 15636.9726 176959.8036 175320.9681 15644.0873 174498.5813 183862.9036 146891.2464 79595.3369 144812.6869 40700.2050 157173.6598 273903.2781 93176.8491 130165.4359 35808.9349 13706.9581 20151.6845 13814.1071 40380.4125 127111.4350 50755.8025 36164.6907 45647.8775 13661.1584 39333.7663 CE(18:2) 13C1 [+Na] 1209543.6970 69692.3126 999396.0258 689649.4488 267957.0457 36798.2634 676909.7708 35212.7797 442817.3934 53974.3455 264832.3430 179363.0142 272864.4970 189075.4688 144926.5438 175060.6971 218508.8673 90342.0024 194643.8038 154849.4221 202670.8403 110675.7786 189900.2893 378185.9201 326365.1364 218279.5473 63593.2199 73881.5197 462718.0707 90388.0751 174539.8919 252443.3335 332425.1094 653015.4236 666570.0371 189532.7098 167185.6715 157391.6453 291123.7854 170392.3448 352203.8297 257314.5649 569657.5833 214220.9414 198239.5047 539282.9064 149372.3322 243074.0050 121205.5305 112567.9098 244928.8719 70172.5556 372947.5805 346657.4950 167153.2544 66677.0812 233034.7507 187166.3776 153173.7381 205929.5220 111350.8428 107502.1297 372999.0334 398117.6463 109331.1965 253834.4001 35702.2046 91231.0571 482041.1563 1000158.6420 541888.5244 649480.2908 101327.8063 477488.5827 563846.2376 154499.5570 268195.4256 158105.5633 150083.3248 180981.8496 417907.4765 232136.6121 177091.9784 25530.0653 113892.2408 156531.6324 173622.1546 72259.1100 325845.4203 117106.0484 145847.1317 185228.2713 CE(18:2) 13C1 [+NH4] 5290948.2530 199890.4954 257848.8337 8612384.9860 4924966.0210 985656.3600 152589.2004 3164675.8920 116241.8345 2657183.6780 239826.2260 1136685.8170 857638.9152 1224328.0910 676484.6959 476126.4198 619184.4821 657824.5125 225948.8238 600378.9327 1447275.6290 640487.9906 437043.4023 495589.0643 1246737.8990 1208649.4320 1206483.1810 149546.4254 262797.9981 1863643.3890 317950.0696 614303.4780 1491619.1810 1667328.4890 5971070.1980 6926957.4820 891615.3304 503644.2773 572410.2400 1125872.8500 816099.3450 2012044.8970 1317376.4600 2648173.2610 1255926.8140 920666.3673 4532287.6420 447186.6944 971854.7865 511703.0320 717068.9035 896616.2748 402985.7084 1936537.4240 1067080.0630 563823.0357 268002.0707 1102651.9370 577694.4874 375600.8917 680652.9081 249935.0896 422683.2216 1628859.9470 1894926.1630 307027.3859 1157714.1640 99362.5002 294543.6036 1978294.2700 7059756.5260 4847744.8840 4824956.6140 453581.4263 2236474.2660 3649371.8470 943800.9441 1889852.8410 582804.0213 446511.3921 578133.1265 1863683.6420 549189.3750 687556.6190 101199.3272 300934.5034 485941.7617 602531.7214 177121.8206 1440022.9270 325608.3595 462271.0881 945079.4019 CE(18:2) 13C2 [+K] 20249.7733 21867.2059 70357.1665 23775.3331 38990.2283 19677.7337 37135.8730 31979.9504 23492.2648 25340.3302 23120.4919 91557.4639 37247.0410 24546.4476 17384.4610 20015.4780 39818.7619 38368.0699 38947.5575 50665.2591 38555.7738 71450.3245 20379.0811 30943.7163 28869.4210 13048.8133 11235.8056 CE(18:2) 13C2 [+Na] 279371.5470 227149.8994 154302.8948 59306.8505 158892.6955 102704.2034 61123.2412 40865.4345 64074.0696 42958.7635 33725.2721 40901.1431 49500.0042 21944.8479 43922.0065 34975.6228 47030.7894 26135.6958 42843.1318 87068.6750 74368.8148 50342.7218 15211.0037 17143.0632 106884.5145 41515.1178 66244.5229 77227.1228 152479.0552 149477.2629 42681.8490 37018.9109 35771.4121 62795.7390 37722.5238 97767.8785 56696.2235 126823.3544 49154.5267 45659.1200 118672.5571 34796.8245 56851.6308 27445.9887 28639.0735 54655.2816 19417.8205 84451.0351 78800.8466 36766.1175 16267.7378 52951.2353 41762.2318 34114.6457 48632.8837 24367.9520 23803.2838 85435.0886 89071.3119 25199.0861 59076.2824 111369.8782 225730.5910 125846.2629 146101.5907 25801.5799 107879.0478 126957.5297 36668.5418 62239.9952 36568.4806 34699.9340 41079.8233 95822.3591 54899.7840 39823.9134 25885.9786 35136.6510 40096.1376 17241.0731 73777.8609 27087.5417 34458.2335 42683.7816 CE(18:2) 13C2 [+NH4] 1208790.9790 58684.2011 1937568.1620 1106728.9410 220941.0681 35554.5383 713413.9048 26012.7525 593854.2754 56205.9581 259822.9286 191186.3909 277021.8415 150050.4725 108079.5581 139707.9694 148160.5275 51327.1226 134716.0933 325484.6618 144287.3730 98563.3504 111283.7816 279751.5570 273590.3828 271357.7327 34113.3952 60595.5378 424275.8829 71451.9772 142302.1702 345988.7858 373763.8289 1340920.4050 1553934.9250 202464.1782 113499.0207 129645.2511 257343.3115 182337.4458 457354.9895 298688.1224 596675.1231 283753.8134 202976.8823 1013032.2160 100301.6796 221106.2206 117877.9732 160909.5012 202237.3688 92434.6187 434246.7430 239572.5541 126626.3022 60821.4917 246428.5798 129970.0528 84706.9493 152603.0842 57612.1770 95038.7963 368736.8737 425647.4082 71070.3574 262911.0339 23432.2296 68501.5834 446328.8405 1605095.3740 1087800.2890 1084958.0460 98784.1203 493168.6548 815054.6911 211291.0315 419897.2398 133165.8583 102077.7807 128762.8093 420221.4208 126729.9331 156377.1399 24114.5368 67481.0350 107849.6197 134308.0749 40823.3135 323295.3895 72204.2598 106003.1255 208855.2314 CE(18:2) 13C3 [+K] 13320.3563 CE(18:2) 13C3 [+Na] 13366.3652 13443.6318 12414.1998 CE(18:2) 13C3 [+NH4] 173774.2402 274361.6081 162638.8398 34641.7683 126722.2630 88296.7524 35641.9490 26769.8586 38316.4725 21756.7453 16698.9195 20779.7863 20124.2624 17757.2264 45309.9384 19528.2903 15928.1943 39986.9000 39121.6468 37559.2275 78701.1052 62461.3542 58640.4196 194887.6105 230623.6377 32958.7813 18667.6671 30815.0531 40185.9497 25023.7067 40659.1262 86950.3609 40254.2618 30392.3514 144735.7476 14385.1871 31802.9662 17323.1774 22231.4186 28540.5927 60936.0105 34118.0195 19176.9479 34645.4880 17604.5226 12317.0220 21535.2453 14628.3387 47862.4128 73016.0019 36550.5050 67439.9766 226186.6928 159493.9127 161507.4030 75868.7743 119169.8596 29944.5127 61254.1419 17813.6074 16571.0045 18001.0808 58630.1224 16162.7702 21157.0887 15522.5631 18753.0257 44754.2283 11270.1765 13707.2577 28141.4779 CE(18:3) 13C0 [+K] 25886.1300 45698.8217 33422.9543 19045.9501 CE(18:3) 13C0 [+Na] 133787.4020 85707.2311 67623.1161 38558.0452 29076.0692 29812.0448 18212.2349 18434.4628 21069.8547 16550.9615 13947.6538 24066.7393 12657.7206 29269.7219 23603.6367 43210.9024 38999.7325 48473.4443 11853.9267 32732.0832 24861.5522 38798.6841 19935.9446 15396.2946 25263.0007 25596.0083 12454.0925 9781.7673 19170.4592 23638.2256 19651.2454 73219.0494 55752.3076 31381.2930 52559.3968 13165.3780 49801.1125 23794.0329 12086.2527 18710.9402 32932.4710 11023.6338 23768.9128 CE(18:3) 13C0 [+NH4] 554272.6999 656074.5459 452534.8901 63362.9973 150085.7891 153181.5931 112054.7815 76073.2559 75035.1767 73055.2011 24865.6937 29623.0396 46226.6323 28590.4675 22180.1402 95602.8533 69915.7867 29000.5399 27744.2159 91827.9302 73790.2304 230706.5535 117179.7189 41790.9287 150439.3746 189476.8182 396512.0249 351372.3345 91552.0103 30692.6404 34814.3867 130658.4108 110397.8996 193937.2752 32336.0579 165170.0677 96976.4379 80344.9854 227532.6356 37676.6664 34217.2209 31409.3361 26122.5180 26398.4127 36485.1444 121941.4414 67626.5188 14169.6411 48987.1233 31383.6191 19374.7574 61147.4181 12994.8583 17227.9877 46177.4838 95721.2993 18435.6329 82638.2412 104477.5681 497954.2733 211369.1006 338575.9107 54320.0850 135179.3719 339270.2560 37161.9546 122411.8612 28522.3126 33008.7857 23261.7426 195305.8292 20081.5554 77389.1027 28341.4094 50963.9116 22977.9416 17873.8036 128751.4093 23909.8406 23457.9142 102959.8704 CE(18:3) 13C1 [+K] 23297.4723 16392.7656 CE(18:3) 13C1 [+Na] 72885.3877 48937.8911 44703.7045 17051.8173 10605.3755 14810.0250 16072.9782 14942.1131 27232.2517 25614.9535 40665.5498 22343.9968 13036.6741 14157.4000 23273.9869 16273.6331 31941.8194 26408.8880 16562.5581 19168.1663 21268.1350 CE(18:3) 13C1 [+NH4] 267423.8270 315583.3876 222961.4313 32732.6250 73908.4050 76152.2550 56288.0502 34400.3480 34619.6997 35760.5227 12631.6814 14738.0075 22052.7879 13649.3207 10744.1053 44846.7081 34553.9639 14339.8509 13597.0132 42625.5356 35779.6719 108974.8082 55549.8639 74289.4613 93865.0517 185766.8096 171410.2960 43895.9929 14720.4595 63241.0009 49448.8611 98329.7309 18521.9665 78779.4006 46699.8980 40252.4921 108535.8069 18253.6731 16030.1063 15385.2459 13497.4074 19480.6761 58082.7013 33784.2625 23208.1615 15821.0398 11144.0626 27707.2847 22981.7745 45428.2846 40546.3747 48556.5496 237845.5934 99740.4525 162183.6882 26149.0073 63863.8382 161769.0596 18342.7143 58394.2132 15055.1803 16525.9677 11658.8920 95283.1506 10968.1565 36921.1905 14226.4674 24141.3469 11626.1734 61203.1947 11869.8298 48388.5419 CE(18:3) 13C3 [+NH4] 30271.6393 88651.5986 CE(19:0) 13C0 [+NH4] 40286.9156 37587.6138 11078.0597 100521.9050 60410.8600 18968.6522 67333.8570 CE(19:0) 13C1 [+NH4] 19973.6030 48125.0812 30623.9403 CE(19:1) 13C0 [+NH4] 61673.1540 34132.7178 31006.7740 23460.5082 33060.1307 54667.0538 22545.9308 87213.0438 34973.8622 33394.5275 18502.9209 CE(19:2) 13C0 [+NH4] 581310.6797 221406.5114 230829.2562 555734.9407 275440.0797 CE(19:2) 13C1 [+NH4] 285325.0106 111124.8151 116750.9134 275075.8076 135710.4077 CE(19:2) 13C2 [+NH4] 66424.5716 26677.7993 70868.1873 31699.9086 CE(19:3) 13C0 [+NH4] 57117.3519 59852.9596 38496.8842 33530.2259 13755.2353 58923.5563 28102.3186 32758.4434 20086.8056 CE(20:0) 13C0 [+NH4] 47189.2789 70674.3444 15118.7230 80780.2731 14560.2524 1902579.1590 22148.2404 173263.8624 57614.3100 32395.9490 103150.0704 24082.9713 22224.7962 36565.3444 33166.3922 15657.9445 16848.2622 31072.2876 81523.7807 CE(20:0) 13C1 [+NH4] 25150.1646 33925.1074 43167.3020 87986.5130 51641.1459 17728.6792 16037.2227 49595.9371 CE(20:2) 13C0 [+NH4] 49791.6547 52329.8185 58529.1950 62305.4124 27847.2428 11697.3162 24765.0155 56551.8124 27955.7173 27680.6730 17905.7723 CE(20:3) 13C0 [+K] 21956.4096 CE(20:3) 13C0 [+Na] 53979.6933 14067.6387 13294.6545 22912.5627 18953.4994 13301.6480 14336.6765 18057.9344 CE(20:3) 13C0 [+NH4] 207416.6383 310442.2636 163491.1031 47824.7053 76570.8338 109156.0260 45552.7308 29409.1303 47660.7506 24407.7724 20413.5506 14022.7833 39312.6487 15372.0037 13494.2619 57835.5505 27100.7666 25793.3189 12202.9389 39632.6940 38003.9480 63269.1235 77759.9723 66251.6476 90779.5985 339746.2771 219389.0778 67063.7453 13032.9400 26356.4341 63566.1093 66311.6242 96423.9235 47075.3971 90129.0170 37034.3597 24523.6836 171170.5190 18456.0941 33960.0629 15967.5800 16598.1400 14737.3345 94263.2418 36296.9328 40351.6463 22289.6363 16204.7859 29137.0231 9753.6321 52351.3101 43396.8104 55107.7712 44375.2064 250496.5006 107374.8665 146586.3731 27253.2724 62733.3144 127282.4924 34139.9998 51559.1704 22457.8284 13539.6225 78166.1009 11019.5634 26035.2743 10385.2658 21272.8786 18512.7552 40255.9058 13770.3206 14169.3873 35087.1755 CE(20:3) 13C1 [+K] 12797.3606 CE(20:3) 13C1 [+Na] 12354.6475 14221.5853 CE(20:3) 13C1 [+NH4] 107260.8125 155318.3381 87409.1312 24391.9165 38854.3809 53405.9616 22047.7642 15545.7638 23529.0473 11027.3532 20220.1955 29966.2449 13940.2327 14575.9495 19068.6783 19907.4148 32993.8142 43279.2711 45592.1666 173421.5400 116595.9093 33836.8765 33621.4665 33412.2919 23215.1195 44725.9749 84223.7005 16692.3595 49878.3339 19324.7343 19296.2357 11666.4045 15013.0624 26174.2633 21504.6412 28973.7145 123655.7712 56075.8563 73183.8432 33717.1111 61651.5611 19267.2253 30096.8672 12454.3714 38062.4289 10396.1068 21166.1747 18057.8493 CE(20:3) 13C2 [+Na] 17353.0445 CE(20:3) 13C2 [+NH4] 43738.9921 12898.5391 CE(20:4) 13C0 [+K] 74569.3869 44584.9353 27225.0001 51187.1126 40506.9738 29023.2693 76583.8230 49172.1866 16127.6518 21717.8226 75286.9600 30335.7858 90676.7236 16771.4213 37959.2299 18063.2498 60838.3421 37819.2288 123335.2035 35870.6075 55239.3141 40129.8331 40641.4609 61876.1548 21447.5643 104292.6998 24887.8448 293404.5218 17710.1187 94684.0739 58694.2887 64064.6187 17679.8219 94002.9986 232758.3146 71728.5909 39685.9820 48483.3363 62512.3338 12200.3129 47402.3350 118913.4871 96052.5918 109675.1083 60275.4261 99449.5798 67708.6297 103938.7476 86257.5060 39680.8245 13143.3634 37581.3022 24336.9116 30499.7137 54845.1717 22086.4549 31137.9069 21690.1336 27477.7545 CE(20:4) 13C0 [+Na] 571369.4029 36767.6803 276852.5125 352174.2653 113469.1479 231712.4192 149925.7107 25346.9708 143883.1800 130186.6132 130986.7697 109516.5993 77109.5979 53411.2237 150861.9577 124288.7226 73013.3455 34764.2806 87578.5452 63434.3949 104497.4750 179919.1235 152530.5964 117522.0541 38051.1584 27044.2533 252346.5029 82543.2823 94629.4637 180570.3732 246269.7409 423155.6507 82873.9651 56792.3322 74194.1580 135192.4426 172376.8655 259699.3763 204602.3201 90345.0002 62113.9464 407929.4040 79858.3057 158892.7508 50500.2588 40658.3114 79874.7946 49964.3654 165943.4053 128804.2040 127388.7695 95722.6370 140944.7898 87600.0948 92759.3028 44043.0110 55193.4940 198906.7511 166536.7065 33934.3635 124058.3553 28584.7297 130073.7690 541686.9531 105389.8140 233867.3188 50956.0487 136262.9498 274382.3947 39555.2202 160413.3294 62306.8791 133105.1911 41857.9244 230946.7542 70581.2173 56179.7304 46878.9420 99031.4587 59318.7312 28117.5506 223760.2238 41363.0675 87135.4821 93372.9468 CE(20:4) 13C0 [+NH4] 2004757.8830 118964.0936 1988737.5210 2151257.7330 358607.1345 56535.5696 892648.2517 42620.3322 757389.6743 93252.1657 526318.1528 567515.3558 501300.5031 334783.7898 212631.0025 160310.7125 367635.2960 264854.3425 200237.5130 317305.9964 221422.2472 226628.2869 215398.6011 509958.3161 439840.1090 575613.5153 68605.6940 74833.4807 813003.9038 105254.5924 222355.6403 498966.0322 813677.2004 1967712.4200 3848431.3760 375186.0946 155050.2232 229709.8703 529117.2226 723941.6325 1165118.8610 1169060.9690 763072.0827 523791.0446 245756.7355 3322465.6680 189969.0135 515709.9325 194948.2319 289566.5225 246639.8690 272585.4847 806084.9015 324495.1208 339872.0061 39397.9595 376602.1831 363118.9354 173125.8081 266182.7819 77083.6862 156538.1899 696771.6305 661308.8064 77009.4412 470817.0241 63018.6410 104815.9604 441780.8861 3531733.8550 798013.0149 1477111.6360 229350.2969 629792.1656 1641762.7660 226750.3214 1051929.7080 186121.8395 337301.3429 113231.7109 848170.1131 131227.1270 171521.0168 26376.4014 101070.1350 255013.8733 177084.1861 58672.5712 780323.5297 101745.0205 222377.9664 370409.9997 CE(20:4) 13C1 [+K] 23763.4902 41288.1352 31596.0221 13355.6700 39106.4119 15193.7648 44121.7092 21144.3894 30938.4086 20183.9216 59224.8719 20569.3672 30780.0857 50331.3823 155915.7966 48431.7235 28744.0402 32447.3744 46488.9871 118007.3778 36642.1979 21664.1898 26173.3269 32060.5154 25147.2040 60967.9927 49156.6672 54939.9664 52136.5564 49763.9815 21910.0237 21054.7584 18091.1082 26944.8647 12112.1643 16338.3493 11456.3553 CE(20:4) 13C1 [+Na] 296393.1092 142461.5226 179380.5701 61884.1859 119559.1044 78958.3067 73693.3917 67593.6767 65316.6878 56819.5885 40236.7018 28647.0761 77816.2112 61639.9474 37659.7347 22260.7753 44224.4092 36143.5499 54596.7769 91929.8030 79483.3122 63880.9015 19765.8748 15311.7004 135201.9461 48397.2786 64684.9253 96403.9698 132584.1573 222393.0668 47798.2655 29119.3171 41914.0733 71420.9713 88636.1342 130414.5905 103102.6066 50398.1070 33463.1147 202517.4857 43439.6636 81225.3405 25444.2959 26208.2032 41605.0970 29056.2026 83399.4699 65884.0563 65913.6912 50114.2369 71080.2185 45038.8908 49852.2534 22551.7283 31407.2562 105708.5971 85329.4649 17604.7689 64183.1161 17367.7781 66592.9695 284009.2608 65279.2005 124379.1615 30637.2961 70208.4779 133637.6486 27182.4701 78938.5136 31962.3969 69196.8471 22145.5531 116767.9232 36632.4549 30963.6357 24402.8612 50184.5653 30311.5005 16114.3328 116987.7469 23106.2216 45402.7607 51841.6031 CE(20:4) 13C1 [+NH4] 1022240.3310 60020.2865 996678.3114 1084099.0780 180869.1469 29470.0786 451427.3716 22603.5367 372394.8006 45072.7403 261647.8135 284789.9336 244772.2980 166560.8461 106364.6700 80581.2407 185889.6036 131188.4869 98877.7949 162572.4471 112110.9930 114883.6444 108501.9358 256429.3599 220168.0070 295844.4775 35143.6830 38524.4698 403463.2411 50679.7868 112173.2272 251826.1156 413310.8960 990217.4047 1922810.3680 188633.0085 77346.4264 116834.1781 260551.2597 360364.4952 590048.4066 588864.1208 381175.4465 266973.1395 120485.4522 1631175.1730 95611.4869 260927.6796 101255.2866 147937.3957 122487.0990 134394.7056 397730.4024 161713.7420 171330.1697 19264.1535 186689.4021 181374.1404 86624.1276 133903.8496 37973.6858 77702.2346 349064.5055 331972.8573 38815.4749 237120.9512 31609.4404 55485.1630 223809.9155 1774725.7490 418890.3558 747300.3196 119300.1871 317899.4166 822704.9091 110192.8954 524259.1290 94383.0541 165123.9865 57960.9760 426746.0536 65981.3972 85267.5605 51589.5918 126372.3647 88571.0673 29354.0165 387768.3660 51280.8971 111839.0661 186391.7338 CE(20:4) 13C2 [+K] 28496.7755 CE(20:4) 13C2 [+Na] 70303.0271 41285.6066 42642.8545 19747.8257 17729.0522 17772.0111 10929.5264 18788.8352 15315.3890 10507.9367 13420.6349 22023.6402 19086.8031 61490.8030 22167.4131 33076.5887 24031.0456 50376.6237 20667.4585 20136.1228 15978.6334 15710.8148 17188.7062 10414.0927 13400.6982 26660.7502 21431.3516 15949.2725 69457.5124 32257.8101 16519.9448 28295.6997 13477.3364 28586.5514 CE(20:4) 13C2 [+NH4] 244411.7227 237092.2614 262611.8751 45894.3911 106709.6116 90363.0896 64657.6429 67560.0107 59378.7999 40432.4188 24872.2033 19972.2198 43773.4380 31014.3515 23641.2602 36839.6145 26960.0186 27785.5178 24869.0622 60364.7667 52324.5427 66899.1551 95781.8352 65758.8216 100554.4450 237791.4118 462570.2633 44019.4008 17577.9190 29103.2855 62639.2896 85731.5162 140321.6532 142545.9930 91635.4164 61680.5574 28787.1120 390654.1728 23184.5969 62590.9450 22770.7581 34975.7662 28330.6692 31086.2543 96568.9064 39271.5154 40452.1545 45122.5719 43011.7758 20546.6048 31682.8293 18414.4659 83885.6727 78950.4098 57402.1970 53276.5140 422305.8817 95182.6969 178456.1403 29308.2825 73053.8056 193904.3530 25824.4960 125155.5339 22442.7637 39280.5057 13718.6154 101799.2292 15843.1109 19511.9203 13066.3010 30608.6882 21230.4253 92673.5725 12707.4705 28233.8513 44729.0523 CE(20:4) 13C3 [+NH4] 48468.5541 41170.3428 71511.3784 21345.7656 59855.5415 15153.5257 76273.3390 32660.1641 17183.1420 15024.8141 CE(20:5) 13C0 [+K] 14003.3061 CE(20:5) 13C0 [+Na] 47634.7648 39718.1488 21672.3916 24427.4399 25308.9509 13510.4331 32727.8221 24837.0277 15791.3916 17695.0054 CE(20:5) 13C0 [+NH4] 134085.1697 120429.7906 211447.8754 26527.9576 38301.4710 41399.5042 74163.8754 38238.2029 22071.4065 36522.8938 12260.2333 13396.9416 14649.1660 25420.5669 17947.2344 14581.3215 46072.2673 69292.5617 35754.9736 53622.4591 42313.6968 64737.3579 106524.6733 143662.5543 34522.9042 12569.1550 47845.5271 42662.4534 152467.8280 28190.8330 44903.1092 29452.9983 23211.1384 89328.9483 12674.2697 14600.5343 35064.0662 38880.0260 29078.1232 24217.5317 17542.9321 17637.0934 49643.4972 31153.3072 100781.3800 181726.5081 47222.6762 118913.7112 27299.6162 39813.6239 114996.8488 149126.7287 26436.1597 16071.1640 85679.8066 26804.9221 17004.5561 13035.4101 20309.6588 54738.6702 23265.9394 46694.9652 CE(20:5) 13C1 [+Na] 13218.5457 13736.3506 15227.6098 CE(20:5) 13C1 [+NH4] 65243.6586 67924.6941 120635.4157 26407.1258 25790.8009 37156.7547 20452.5279 20181.3169 24505.9398 34770.9022 20937.1694 34789.7171 60018.7740 55947.9212 77858.4354 32439.7429 27073.6088 22200.0479 96750.2036 24950.2734 29956.0271 41800.1914 18177.2797 19202.2225 14789.2003 14257.7120 24337.5756 15987.9702 49992.1636 92369.7980 60792.0412 58106.2632 76353.0918 15012.2258 42909.9527 14283.0341 28686.5115 13209.8017 27634.5879 CE(21:0) 13C0 [+NH4] 29241.9735 75580.6954 69241.1146 16439.9427 185583.4156 116454.7186 22492.1639 28943.8628 15383.5503 35422.0513 100056.5454 CE(21:0) 13C1 [+NH4] 37576.5981 41478.1409 96384.4640 58849.8930 18587.8410 67949.4770 CE(21:4) 13C0 [+NH4] 54326.6965 23151.3379 24523.1415 23176.2550 66204.3881 98195.1331 17977.2448 CE(22:0) 13C0 [+NH4] 44651.7727 59414.9984 117338.4120 70314.9046 25367.8349 21517.0748 56227.3295 CE(22:0) 13C1 [+NH4] 22606.4079 61129.4456 36032.2666 12826.8880 CE(22:1) 13C0 [+NH4] 49656.2456 17325.9405 29334.6992 30905.6463 34986.7232 70314.5186 18919.2429 13823.6267 33239.3170 24402.6635 38408.4043 40290.7165 19845.2448 21713.5001 CE(22:1) 13C1 [+NH4] 28495.6317 19340.9570 CE(22:2) 13C0 [+NH4] 65085.5645 122975.4241 178794.1533 55251.1862 34186.4842 62680.3494 28723.1221 19708.8939 30628.4370 18812.7359 34383.8300 29692.3699 19183.8790 27849.3190 18039.7389 19245.3475 57769.0618 47838.4836 13804.6206 40081.0105 24083.4163 94189.9392 53160.5306 78735.7914 70841.9074 151375.3404 53081.4601 41098.1299 202458.2014 34595.0886 56942.9668 18343.4639 24415.1851 39438.4785 25765.4715 67979.1871 22268.4213 25469.6138 33665.3352 13938.6861 29397.5308 13979.7032 24897.6764 104223.6330 38981.2925 31095.2426 77173.0177 88034.8503 162330.5818 133678.9798 37501.0790 86517.8554 22424.8603 15121.1613 18349.7704 73929.5317 20990.1633 18393.3409 30249.9586 19371.4961 81384.3307 23713.9628 55007.7477 CE(22:2) 13C1 [+NH4] 65125.9075 93490.0865 29262.4311 18888.2078 35365.9846 11013.6735 18102.8262 19787.2797 32106.1724 20894.2639 51869.8473 30876.6633 37867.3623 79709.0367 23949.0172 109886.0520 18741.5138 32319.4908 21728.2848 33405.8904 20062.5328 16749.2190 14950.6201 53509.3195 23650.3545 16952.2118 48327.4901 85662.5898 72689.0947 20921.8986 43909.3640 40043.4970 43718.4042 14819.4797 29560.4538 CE(22:2) 13C2 [+NH4] 25941.0729 CE(22:6) 13C0 [+K] 12751.2311 CE(22:6) 13C0 [+Na] 13932.5094 14310.6914 18898.9367 CE(22:6) 13C0 [+NH4] 58767.6545 115449.4769 137597.1298 25156.6048 48332.7163 46221.0477 47373.9490 28501.2776 22001.0474 11679.1589 17241.5000 13308.7889 21423.0151 22621.8033 33000.4669 20916.6169 24613.9317 30711.1449 147438.9393 180537.4392 19769.3637 42014.1365 62882.2382 41141.8535 146281.9940 23187.9261 20201.6226 29150.9157 12577.9916 13736.9563 21260.7719 18425.8599 10353.1535 14875.9960 32043.1362 61287.8474 20095.3219 57186.9769 129759.3553 49652.6928 89746.2313 35453.5027 70867.8374 68879.6156 16931.7839 18572.6623 35387.5407 14475.3889 10455.5152 27910.6251 16588.2382 17038.0359 CE(22:6) 13C1 [+NH4] 62284.9852 73667.0286 27552.1276 23700.1651 17014.6735 9969.4716 12413.1634 17388.0210 14410.1472 77363.1842 99157.0836 22724.7677 32785.1690 23223.8583 75969.5575 13294.4565 15076.5521 17655.5415 32351.9416 32133.0702 66226.6030 50726.0122 38626.9249 36908.4985 19122.8377 16454.0158 CE(23:0) 13C0 [+NH4] 33401.3713 40315.3433 82948.0638 51616.6675 15469.4058 CE(23:0) 13C1 [+NH4] 19242.1940 45481.8328 27023.1895 CE(23:2) 13C0 [+NH4] 52728.2681 33868.2343 CE(24:0) 13C0 [+NH4] 21308.8903 58970.4856 37864.5928 CE(24:0) 13C1 [+NH4] 41099.4607 CE(24:2) 13C0 [+NH4] 47155.1567 CE(24:4) 13C0 [+NH4] 29036.0086 16719.0710 24782.0238 33126.7719 27334.7971 80872.9528 18743.7121 13028.8354 25565.7923 32575.0649 20140.0609 25757.2627 CE(25:0) 13C0 [+NH4] 19194.8994 51195.7901 29319.9025 CE(26:0) 13C0 [+NH4] 42953.3414 Cer-1P(38:2) 13C0 [+NH4] 74287.5499 97404.7704 43858.0410 39937.6578 25974.2582 17334.3051 56789.1806 194070.1495 19261.4369 15242.3247 18549.8751 17307.9518 96509.4967 51322.3211 31794.5180 19724.5057 Cer-1P(38:2) 13C1 [+NH4] 76612.2159 Cer-1P(40:2) 13C0 [+NH4] 52998.4267 48985.6172 23010.7317 119712.1758 13843.3151 67617.4420 Cer-1P(40:2) 13C1 [+NH4] 53952.6449 Cer-1P(42:2) 13C0 [+NH4] 73979.7232 Cer-1P(44:2) 13C0 [+NH4] 68998.5606 167675.8871 48407.0062 37232.0856 25948.3254 15154.1104 16717.4308 70131.6925 175669.0731 23945.9552 38354.9647 16108.4838 13256.8694 26196.5536 17352.9455 111299.1489 53011.9237 52984.3278 25738.7426 13977.2217 18405.6389 Cer-1P(44:2) 13C1 [+NH4] 74668.0693 86858.1192 51374.6034 Cer(30:0) 13C0 [+H] 15702.8979 36669.5816 25204.3182 18083.9652 Cer(30:2) 13C0 [+H] 20783.0988 Cer(32:0) 13C0 [+H] 98961.4891 44471.1275 57129.0122 47446.3132 33583.9239 28311.4277 51214.9178 25501.0829 49761.2824 29522.2915 28496.7046 25580.9386 25846.4188 25531.5349 28237.5826 32339.0824 31798.3661 23253.0750 18626.8767 34441.4722 30856.4210 43775.2077 31616.2391 25394.2506 42080.0301 38950.5397 31712.9029 33509.3441 102361.3668 44888.4238 101131.3152 106255.0811 44200.0160 56042.3044 54834.7832 33269.3293 15729.5612 46769.0096 30783.1768 31794.8289 123939.5154 28428.3498 38759.5395 75558.4609 25022.5582 48648.6644 34839.3824 31746.2867 27215.7812 41204.0818 32992.2889 25858.6934 25842.8450 33149.2636 38108.5724 44443.1219 45608.6324 30425.5029 25810.6274 27583.4999 29110.6028 44221.6885 42053.2801 36517.8146 34139.1188 36958.7072 22488.3599 54601.8128 54412.3582 77469.7240 58922.1310 50716.9473 25017.7937 44627.0630 24850.6095 33484.5607 39967.4087 29039.0259 24040.5314 26415.1301 37858.6389 17680.7397 32208.3277 44031.2781 33753.7106 26248.2819 30062.2838 24849.4861 21436.9362 36555.6021 29070.0573 30395.8297 43039.7437 Cer(32:0) 13C1 [+H] 11659.9179 15433.4033 11712.1467 14252.7611 11628.3935 11721.1423 39593.4907 35865.3974 12692.6261 12459.8965 12224.4516 13207.0196 15618.7152 16077.7044 9478.7913 15450.5403 12858.2135 11298.1165 15529.0888 10723.2969 Cer(34:0) 13C0 [+H] 92196.8838 42074.9728 54547.8257 46193.0270 33704.2001 28639.8858 51768.3827 23457.2986 47835.4137 25971.9439 26837.6598 24304.5830 25031.8054 23514.9795 26158.5148 29505.6170 27855.4505 21281.0695 17430.3510 30339.1687 29665.6745 42736.5141 28579.1280 25013.7126 41262.7782 43403.6934 30585.3836 31472.7444 96233.2211 43185.3052 92043.0529 100026.0712 47725.3321 53544.8827 52945.1177 35765.4929 16683.1470 45013.1537 30188.4724 27133.3547 146793.4944 26495.4727 35579.7492 71849.1714 24058.9016 43675.4072 33598.7939 29274.1828 25873.5395 42325.4639 30075.3239 27120.8288 23675.7749 29932.8533 34016.0019 41073.8990 42853.2043 27007.8510 23047.7323 26544.7198 27261.1193 41691.2754 39077.4916 35846.0993 31244.5240 34834.0691 22940.7855 51503.5568 53397.3336 71171.5613 55967.0946 49603.4169 38852.5042 22802.4005 30329.1745 36078.0733 25386.2957 23964.5574 24890.0291 36515.8413 17090.8336 29662.0637 39699.7967 32584.0759 24507.3455 28886.7005 23675.5805 21566.2701 36771.0663 26629.5918 27955.8892 42431.9000 Cer(34:0) 13C1 [+H] 10699.2437 11225.7960 15679.2514 15639.2892 11664.4831 36040.7686 13060.5501 11465.8795 12970.4537 14374.1542 16707.5077 9378.0792 10783.0996 15498.7262 12387.4775 14394.9243 14370.9780 11452.3224 14971.3704 11333.6875 12550.1630 Cer(36:0) 13C0 [+H] 11549.6885 12263.9961 18210.2514 17278.6426 12589.9020 12964.3181 42569.7199 37650.4002 29001.0754 32935.2708 150314.4402 39604.5287 13422.7912 12989.7019 25147.3543 11011.5746 13411.1122 16005.7329 17365.3174 9886.3435 11507.5032 16657.4141 13162.7489 15227.7086 11850.6884 15718.7904 16539.7822 11948.3309 14742.6501 11604.6030 12346.2284 19175.3494 Cer(36:3) 13C0 [+H] 1555543.0090 220907.0038 17359.3824 17305.7467 25167.3344 15762.8563 37409.7368 56281.8587 Cer(36:3) 13C1 [+H] 590094.1369 84150.3510 Cer(36:3) 13C2 [+H] 126375.8958 Cer(38:3) 13C0 [+H] 384659.4364 Cer(38:3) 13C1 [+H] 189997.5253 Cer(40:0) 13C0 [+H] 21759.1843 Cer(40:2) 13C0 [+NH4] 20960.2493 23647.1998 95522.1002 61952.1117 44050.6149 30218.8644 Cer(40:2) 13C1 [+NH4] 42077.9574 Cer(40:3) 13C0 [+H] 1249010.8380 Cer(40:3) 13C1 [+H] 551971.3859 Cer(42:0) 13C0 [+H] 27082.1602 Cer(42:1) 13C0 [+H] 50788.5270 14769.6454 Cer(42:2) 13C0 [+NH4] 281043.7048 93242.1848 133999.7149 156550.8503 167631.0472 127022.6308 146123.2092 664466.3381 91885.0750 413248.3582 113173.5840 293971.5757 272520.8968 137233.1331 163743.7922 175026.0140 90677.7115 60441.5469 195241.5886 120091.9965 140438.6410 200698.1861 169126.6559 171451.9526 119684.6304 85416.2783 Cer(42:2) 13C1 [+NH4] 127541.9211 59748.3347 67514.6133 77259.7922 56499.8357 64760.0911 293890.1921 42530.1939 184491.0792 50691.5031 129969.0678 123207.6997 60593.4139 69923.2267 75168.0196 40842.5815 26364.7019 88166.8420 51684.2872 60048.9876 93017.5818 73077.9788 75041.9388 52680.5340 40635.3946 Cer(42:2) 13C2 [+NH4] 59914.2392 Cer(42:4) 13C0 [+H] 20711.0562 36295.8739 65940.0110 58671.5859 Cer(42:4) 13C1 [+H] 26324.5716 Cer(44:0) 13C0 [+H] 28339.9631 35339.6594 Cer(44:4) 13C0 [+H] 19689.5016 Cholesterol 13C0 [+NH4] 53274.9409 69339.9901 132700.0657 104910.3269 37492.4504 DAG(22:1) 13C0 [+NH4] 134979.5326 53516.7252 21282.8808 29167.6459 46309.5679 20740.3617 101572.8965 16028.7438 14595.4756 DAG(22:1) 13C1 [+NH4] 26199.4264 DAG(22:2) 13C0 [+NH4] 113852.9336 46075.2911 DAG(22:4) 13C0 [+NH4] 56956.6921 22126.8640 39464.4605 DAG(24:3) 13C0 [+Na] 31842.5673 38748.8186 DAG(24:3) 13C0 [+NH4] 18342.7761 17075.1093 14442.0130 14397.1040 16612.7388 DAG(26:1) 13C0 [+Na] 141940.6645 DAG(26:1) 13C1 [+Na] 27218.2530 DAG(26:2) 13C0 [+NH4] 152798.5492 DAG(28:0) 13C0 [+NH4] 41926.7900 37887.6703 DAG(30:0) 13C0 [+K] 47748.2838 49894.7101 DAG(30:0) 13C0 [+Na] 36709.2495 23559.8319 DAG(30:0) 13C0 [+NH4] 27759.9365 52056.8182 31187.1872 53677.7427 43044.8317 64506.6570 49875.9136 42277.1954 28345.6592 210038.5702 175152.2072 52097.3150 21663.0944 26064.3289 DAG(30:0) 13C1 [+K] 36107.5222 33512.3701 DAG(30:0) 13C1 [+NH4] 18893.8210 76686.7139 61521.9771 20119.0546 DAG(32:0) 13C0 [+K] 64201.1641 61027.2445 DAG(32:0) 13C0 [+Na] 21369.3409 22487.2433 31056.7729 57443.1423 36715.1727 28812.3742 DAG(32:0) 13C0 [+NH4] 42862.1119 76042.3705 41033.6647 46564.3555 21369.1239 18069.4304 86533.8623 40959.5471 91298.9172 14514.6075 54871.4769 152379.7467 75061.2345 68075.7247 69946.0970 42038.1431 1058317.3270 327635.8905 12898.4163 263409.4005 18675.8811 22540.9358 13903.9721 94994.7698 11103.3428 16863.7979 16500.2841 21634.8550 22631.2323 48451.3955 43419.6615 12949.2085 19368.8820 43848.4257 12683.9374 10132.4148 13605.5186 15857.5020 40947.1387 DAG(32:0) 13C1 [+K] 104286.8333 95996.7724 DAG(32:0) 13C1 [+NH4] 30860.4021 35117.6815 55132.7112 26763.5946 121318.5175 98574.0264 34787.0655 DAG(32:0) 13C2 [+K] 36328.6370 30400.7895 DAG(32:1) 13C0 [+NH4] 15699.3346 DAG(32:3) 13C0 [+H] 100727.7482 1200428.1330 49677.2641 21158.0114 15152.8647 20065.8767 17031.2040 28713.1870 18775.8358 29509.1852 26317.7822 56463.1396 139808.1539 65642.8895 98014.7070 55790.1729 27954.1493 32956.0501 30977.2679 23414.5555 28242.9049 22190.3757 23596.2503 12776.6863 29656.8917 24206.5461 45906.2276 27700.5759 18486.0047 47379.7563 98046.9269 60508.1297 26841.3990 22680.1362 19217.1051 74069.9301 23794.3413 46760.3877 73020.6732 DAG(32:3) 13C0 [+Na] 134835.7339 23783.7760 26505.7796 43958.6814 17031.6595 17100.3844 23182.0857 14935.4345 22207.3225 14290.7419 29647.5971 16924.1381 18585.4619 37401.8724 DAG(32:3) 13C0 [+NH4] 149497.9998 757817.9423 88244.5880 52883.2823 61569.9465 26164.3431 23324.9389 47622.0475 30709.4937 24638.5641 19619.1757 14572.3164 24602.1998 15852.7158 20665.2370 43122.2705 16590.8489 25861.2010 38051.5049 41726.0661 21847.6389 104791.7989 108827.0383 81563.3773 104054.8062 81333.7325 68806.8381 27270.4640 24995.8814 62206.2652 31753.1244 31507.3585 40214.2748 33699.9023 36067.7428 15600.5565 31821.5526 26120.3114 35254.4465 28589.2581 28270.6615 15855.2052 43427.1888 26080.1124 43934.0667 28402.4846 37402.9532 24486.3460 21262.7282 21784.5856 58381.2721 41772.1902 80105.3513 159636.5437 85434.7192 49418.8696 36194.8485 24845.3055 12766.3832 26674.9924 22664.9945 24909.9288 22188.8196 78380.6074 33044.3236 46759.4578 90935.3639 DAG(32:3) 13C1 [+H] 434040.8120 56712.4948 18217.6183 27510.9130 18916.5073 DAG(32:3) 13C1 [+NH4] 290890.7321 16788.6353 14522.5029 17616.5253 17246.0238 29768.4938 18401.6018 38895.4398 DAG(32:4) 13C0 [+H] 163072.8932 DAG(32:6) 13C0 [+NH4] 200378.5928 DAG(34:0) 13C0 [+K] 73100.3787 60534.7195 DAG(34:0) 13C0 [+Na] 23613.9994 31747.1861 53225.5223 33903.7986 28123.7538 DAG(34:0) 13C0 [+NH4] 40384.2341 42502.9750 104051.9765 63401.9364 56885.0340 13552.1246 24235.6093 15826.5525 102231.7672 42983.8065 95543.6555 12636.2195 11692.1595 45569.9304 182929.7484 65091.0021 69221.6125 79675.4267 42161.3363 1236068.4280 376654.6657 14642.6903 265646.5520 11632.9890 18300.3388 23787.8515 14347.9232 112220.5583 10710.2957 15872.4847 17802.2642 21701.2747 51643.6924 42961.2055 11525.0461 30955.9432 30347.4919 11349.1810 12684.5710 31318.3223 DAG(34:0) 13C1 [+K] 34172.3486 26963.1873 DAG(34:0) 13C1 [+NH4] 44620.3202 28061.4621 24151.0346 40472.0818 19821.5881 40191.7999 72743.6334 33494.6776 143619.2836 106673.8622 44898.3611 DAG(34:0) 13C2 [+NH4] 19820.8228 DAG(34:1) 13C0 [+Na] 16624.4222 39688.7821 25553.4984 35134.6025 DAG(34:1) 13C0 [+NH4] 50791.3012 52751.8743 25394.2597 12142.5597 16911.8847 10285.4444 16092.1358 39502.5903 31809.5578 16306.1223 13412.7625 17791.5595 30395.6122 11020.3926 14292.3855 64735.9357 34042.2558 52644.9288 51294.8439 80124.9091 42977.2687 11186.4228 56770.9574 115776.4624 27275.9677 21140.8439 36841.9510 16856.9476 87201.5026 14247.9982 14760.8923 25404.5121 15135.3682 12870.9934 11473.9242 16161.6377 37428.9140 16881.2182 11201.0274 15450.8230 10784.6927 23289.3226 67795.5367 21941.3092 16296.8533 27131.2002 12056.5456 90523.3259 47808.0944 52498.1208 28417.5409 28371.1401 39597.4695 117061.8916 11699.8199 22981.1770 20866.5108 22491.0749 11563.7011 17813.2662 13231.4726 47768.1248 DAG(34:1) 13C1 [+NH4] 13511.9327 24279.7006 38769.2142 15733.4164 25918.1204 44664.2966 21298.9133 DAG(34:2) 13C0 [+Na] 14244.2200 44359.5364 25142.0036 36315.7479 DAG(34:2) 13C0 [+NH4] 49598.1366 51063.8392 26452.6256 32716.2706 37350.7809 29938.8237 16736.2694 21716.9276 21865.9589 81802.9124 93028.1234 34566.7674 53635.0987 73401.9258 22631.5558 51780.1894 118659.8279 29072.7376 28814.5524 70368.9900 14810.6581 20818.4194 23555.2834 12728.6639 18300.7618 25696.3261 24626.2104 30495.7891 23764.2405 28838.8065 18667.2744 24283.4687 14850.5894 89526.5854 49130.9934 51980.2129 28238.7387 34355.4339 42894.0654 15697.4851 108635.5586 31417.7053 20612.6727 19447.1207 DAG(34:2) 13C1 [+NH4] 13193.8054 21560.8293 12771.7087 41555.0900 DAG(34:3) 13C0 [+NH4] 16708.8117 26941.0865 DAG(34:6) 13C0 [+K] 56784.8411 DAG(36:0) 13C0 [+K] 50027.7481 37274.1284 DAG(36:0) 13C0 [+Na] 17481.9697 28577.6476 36128.3841 20032.0550 19454.5452 DAG(36:0) 13C0 [+NH4] 100982.1477 66396.6588 41311.7945 76851.6704 31916.9764 71516.2445 160647.0068 48150.4200 56905.5824 74140.6681 33666.7904 267734.6944 180519.2297 16793.0425 83018.1535 12289.5276 46900.1312 70193.1886 21828.1067 20908.6370 DAG(36:0) 13C1 [+K] 19459.9378 DAG(36:0) 13C1 [+NH4] 49323.6266 31626.5749 31919.8301 35640.9120 68917.5457 29516.8680 108039.4629 77646.7773 33982.8596 DAG(36:1) 13C0 [+NH4] 27314.8699 18359.9893 30522.9821 31418.8618 57781.9987 119485.3926 22903.7311 118824.2508 38782.2871 26151.1699 15776.2204 16450.0573 349680.2053 11714.5018 14700.7470 22555.2496 45108.0982 141406.7957 DAG(36:1) 13C1 [+NH4] 55449.3166 145027.5599 59753.0183 DAG(36:1) 13C2 [+NH4] 27564.8835 DAG(36:2) 13C0 [+Na] 22525.0114 18033.3622 24024.9040 13836.4584 51482.7521 12161.3466 43709.5338 23114.8485 16662.3619 36928.0289 15603.7478 14661.1875 13137.2917 15670.9602 62368.7139 29596.5915 45670.7479 13769.5670 15951.2259 12139.4019 DAG(36:2) 13C0 [+NH4] 66212.4264 75290.0260 24323.8327 27533.3446 40122.3118 18549.3407 15620.8846 16325.3027 19807.8521 11671.7506 28452.1441 65155.9413 42707.5335 17578.8905 23751.7097 21853.2516 11891.7211 13038.9348 75723.1073 63355.1871 41318.0020 80201.7089 101965.4153 38811.8963 12303.0583 93078.8517 121748.7658 48278.1239 25218.7453 31197.4249 128759.6335 13128.0731 24315.9319 15493.3917 22946.4992 22824.6663 15972.4597 13331.0065 17647.2637 41618.4060 23904.9351 16991.9582 15860.3856 12407.9562 34666.1691 40331.1820 29497.4885 16177.6851 25713.9259 155328.6342 74082.6363 58202.5977 30858.4810 37075.8984 78110.0666 149582.1244 21438.2571 32056.1670 18884.9292 21517.4044 16984.9427 20639.4381 10894.6427 21856.6851 DAG(36:2) 13C1 [+Na] 20726.6513 DAG(36:2) 13C1 [+NH4] 18304.1815 12980.8556 26092.2717 17594.4706 37803.4973 21007.1873 52210.8990 18672.0247 14556.2339 17996.5161 65047.6685 30431.1897 64976.9522 DAG(36:3) 13C0 [+K] 21941.1117 10682.8316 DAG(36:3) 13C0 [+Na] 30603.5076 12608.5915 14904.7441 13461.1716 32697.7784 21708.0678 15116.5215 68836.4783 14730.9709 39132.8832 28449.5804 19657.2616 20374.7491 44739.8014 17968.1401 15754.9826 21219.6034 14096.4026 11434.0160 28142.6281 23647.8506 11686.1898 15681.6402 76669.3696 32234.2851 37401.1775 68739.7896 18985.5867 20464.7881 18161.5780 15714.2354 DAG(36:3) 13C0 [+NH4] 57838.1067 538752.9548 42387.5958 70184.3088 98046.2630 25083.1084 30691.1128 43301.7574 20622.3081 16991.6296 18069.7531 24641.2603 13960.4110 16428.7892 12232.1290 63827.2135 45479.8188 18441.7802 31340.2222 27787.1349 12950.8275 14704.4147 96099.1730 57042.4657 42944.1435 122565.3659 34154.3256 84473.8877 133101.9234 15322.3689 28771.9339 27175.4452 67836.7844 78789.8052 51367.6445 32908.1204 31297.8865 137811.1315 15877.6332 20411.6496 20096.8317 27622.8111 34513.5798 15744.8281 15407.8708 16045.9638 22674.7553 33467.9107 30989.8581 14446.8324 19730.0805 13990.7597 47115.7337 21814.2725 58541.4328 16943.4906 27015.5205 20360.3551 32426.9337 191850.3131 92916.6142 82989.0356 24721.9296 53886.6675 96635.3306 186105.0272 25686.5386 43799.9924 10178.7752 19759.9667 21355.1457 14853.7917 25748.1688 23279.2252 12985.1191 15118.0322 28078.7151 DAG(36:3) 13C1 [+Na] 13721.7486 16477.9768 14551.4393 61235.8457 22189.0069 22088.7950 13841.3933 13260.1381 12933.9828 16930.1106 63224.2136 34952.7820 14357.0739 14263.1646 11582.0054 DAG(36:3) 13C1 [+NH4] 224549.0589 43780.4684 19393.0919 25667.9068 19763.6828 13651.6689 56206.6345 58504.5791 30225.9316 22150.8164 56502.5009 14758.8758 14253.5866 20523.0440 24341.5126 75553.3165 39785.1441 36290.5915 78093.4733 11352.0510 17038.5060 11642.9181 DAG(36:4) 13C0 [+Na] 14257.2147 12061.8817 47693.3481 76387.7033 12241.3124 33167.4912 DAG(36:4) 13C0 [+NH4] 153127.7299 55523.9013 22177.4795 11077.1679 13767.0732 27176.5530 19056.4692 15214.2293 16337.9509 25575.6956 54979.4013 134245.7116 66304.9316 25689.8379 21844.8939 63873.0759 20093.5707 21099.0016 15130.7283 15297.3901 21173.3497 45015.5992 14955.1451 80862.4152 43392.0831 30883.8402 45783.1955 81820.8344 12937.1197 23812.0075 12513.5222 DAG(36:4) 13C1 [+Na] 54097.9988 DAG(36:4) 13C1 [+NH4] 61094.7321 19310.7750 37216.3580 DAG(38:0) 13C0 [+K] 20585.1241 DAG(38:0) 13C0 [+NH4] 65845.5801 56712.3841 49083.5025 54284.5537 145300.6121 63611.7647 158449.7540 116136.2451 44244.5373 DAG(38:0) 13C1 [+NH4] 28642.4401 21374.3884 62439.0395 31280.6362 68379.9047 50945.7433 21502.2941 DAG(38:11) 13C0 [+NH4] 79817.7631 592086.8847 440930.3169 216829.6471 259854.5480 422837.5144 372629.3395 271753.2078 381874.1022 463039.6181 120128.7091 235696.6144 248920.1876 264128.8740 335705.0930 145506.0652 88555.2547 251541.8285 356155.9191 174110.4693 211079.2688 222288.4140 237883.4823 381862.6022 307369.0430 288028.3232 51683.7079 59743.6153 367297.4802 495626.9419 327834.0366 319681.7595 277391.2715 506945.8515 452355.2096 231400.3506 253280.2836 286315.9391 429596.3031 308360.1263 275378.6421 217861.4526 357453.8468 329404.2075 72339.4137 144962.2050 415099.3750 114927.3065 42169.3125 250710.7743 228851.1750 294616.2719 228757.4601 171891.7800 219032.5449 133236.0785 308872.7996 296656.1476 240082.2086 228823.0022 282756.7737 231276.9839 262697.4683 528371.0866 475068.8882 142886.9378 302741.9970 257824.3369 353132.3526 438980.3193 342890.9392 222096.7120 127086.6584 104605.3340 411202.8850 174687.4265 366852.1022 300831.7601 174422.0742 321114.0460 314853.3728 206294.4182 186663.1849 211972.9216 203896.5499 287172.0559 DAG(38:11) 13C1 [+NH4] 125620.3516 92290.2462 46263.3020 56961.5153 95682.0371 81646.5761 60089.3660 89966.1630 98409.7453 27472.1707 50719.8188 50888.6493 56870.5296 70976.4581 30206.3702 54261.5632 73986.0199 38211.3242 45302.6958 49574.6742 49486.8801 79547.7226 65475.9114 60292.9989 75343.7725 112194.7148 73298.3403 68077.4750 55626.2567 105614.7960 94597.1301 53124.4858 64910.5421 93723.2060 71163.0856 59239.9561 49515.4526 75133.1304 70374.8045 35965.1696 87046.5981 52391.5092 47480.3363 66817.7866 49112.7398 38591.9263 44191.0748 29725.2748 66312.7855 66332.3567 51120.3431 47089.3117 59653.3999 51610.4392 58927.2106 107451.2716 98225.3576 65166.1542 56824.9077 73530.4727 93704.2913 75454.6922 48072.1883 29064.6388 22907.1868 89077.4273 36322.1489 76708.7678 65750.8497 40147.1537 68880.8073 66174.5443 42226.5990 45279.1694 45111.6168 45240.8022 62816.6788 DAG(38:11) 13C2 [+NH4] 11587.0151 DAG(38:1) 13C0 [+NH4] 13455.5507 26008.7030 23827.0176 34323.4369 30747.1164 165864.2286 187225.9622 42784.2211 14789.3342 28657.3753 18037.5213 10585.9706 427717.6417 13718.7447 12349.4135 21728.9401 85119.9021 211778.2562 DAG(38:1) 13C1 [+NH4] 73504.3970 187199.5822 42058.4376 94505.8527 DAG(38:1) 13C2 [+NH4] 38370.3250 DAG(38:2) 13C0 [+NH4] 112659.8224 DAG(38:2) 13C1 [+NH4] 49397.6244 DAG(38:4) 13C0 [+NH4] 16054.7126 30821.7774 23214.2054 DAG(38:6) 13C0 [+NH4] 29414.7018 DAG(40:0) 13C0 [+NH4] 60776.8378 57194.9203 31411.7538 49633.5428 187673.8672 51893.4920 60835.9135 80234.5625 73144.7232 21996.6293 DAG(40:0) 13C1 [+NH4] 28122.7127 87445.3939 33724.9644 38107.7017 36580.0472 DAG(40:11) 13C0 [+K] 32036.5913 DAG(40:1) 13C0 [+NH4] 21387.8599 35092.2268 61825.8157 93262.4663 323678.6786 40114.9592 28826.2554 165674.0133 81181.4923 112259.9686 DAG(40:1) 13C1 [+NH4] 68795.1647 43992.9844 45583.0805 DAG(40:2) 13C0 [+NH4] 20130.8927 68808.2152 DAG(40:2) 13C1 [+NH4] 30947.5953 DAG(40:3) 13C0 [+NH4] 24094.9126 DAG(40:4) 13C0 [+NH4] 52988.9539 31441.0768 38623.9429 76352.8020 42326.2069 42944.6283 DAG(40:4) 13C1 [+NH4] 15842.2085 37172.7263 19567.3541 DAG(40:5) 13C0 [+NH4] 41267.8270 34190.9895 92874.7728 51588.6123 22012.0798 DAG(40:5) 13C1 [+NH4] 17560.9346 44137.7986 22447.9556 DAG(42:0) 13C0 [+NH4] 44958.0554 32559.9882 27484.0574 45147.9611 95300.2661 58641.1254 52143.2235 53142.8111 DAG(42:0) 13C1 [+NH4] 46826.1058 32595.5385 26808.7089 DAG(42:1) 13C0 [+NH4] 22339.5032 DAG(42:4) 13C0 [+NH4] 19581.0336 31677.1590 31101.0398 DAG(42:5) 13C0 [+NH4] 50790.3524 109155.1291 67467.8518 18935.5678 DAG(42:5) 13C1 [+NH4] 23845.9588 49383.5309 27224.7309 DAG(44:0) 13C0 [+NH4] 31871.1203 57240.6018 34304.2807 DAG(44:3) 13C0 [+K] 141759.0853 DAG(44:4) 13C0 [+NH4] 31191.4865 58728.4141 29176.3642 38806.4441 50825.9557 55981.3731 DAG(44:4) 13C1 [+NH4] 17340.6986 35680.8617 28021.5596 DAG(46:0) 13C0 [+NH4] 55083.9367 DAG(46:4) 13C0 [+NH4] 22093.2666 46330.9730 35544.5346 34010.5468 37801.1790 DAG(46:4) 13C1 [+NH4] 20553.4988 DAG(46:5) 13C0 [+NH4] 20651.0315 FA(11:1) 13C0 [+H] 16910.7655 11697.4935 10434.6889 11935.3967 15287.1522 18297.4962 17716.5305 15047.0171 13957.7571 18906.6032 17089.3675 16878.9303 15798.4329 16630.8019 17100.3948 19073.1166 18581.2264 18839.6990 16424.4961 15882.6081 18538.2312 16457.3799 16217.9701 18862.0711 18044.6482 14925.0016 15791.7816 17337.1132 16734.6432 20060.2647 18433.5444 14757.9556 15089.8119 14517.6392 18543.6044 17421.4306 17957.2488 17477.0394 18003.8172 19394.5641 14991.8967 12862.8811 14041.7373 13859.7800 19183.7365 11876.1310 18700.4833 17497.7552 16868.0009 15694.6608 14612.2663 11974.3840 16562.7897 18291.0680 16437.8502 17744.5847 19672.6421 FA(11:1) 13C0 [+NH4] 793046.7884 3320027.1300 2657640.8930 3172557.8230 1511849.9350 835693.8228 1288448.5300 2694225.5830 2131061.4220 89007.9767 270159.1850 78519.0098 186132.2116 109127.4114 65233.1767 69061.7570 121648.2113 68179.3375 78472.6978 353009.2675 117885.6114 253485.4512 84108.0334 146108.2972 69540.0306 121656.1228 112070.4213 105423.8248 79983.0771 855109.4389 2324965.5220 1104663.6010 1314173.8720 1122999.0470 3631737.5100 3452857.0000 630835.5490 672939.2315 1348823.4130 2914624.2840 143165.0767 156025.6675 83621.9408 174043.7155 110814.2769 111292.4062 95556.9373 84786.1640 104017.8276 133497.8170 74603.8972 80992.9774 114594.3843 198901.3149 75260.7047 638149.6226 97398.7993 193479.4569 70955.1081 122338.9464 122353.0289 62004.9435 186284.5300 1508525.7740 120101.4380 73657.2502 131218.8792 50169.7592 4265978.0450 1968730.2800 1386753.2680 3451475.6510 2716196.2430 2662683.7380 2103136.7220 136640.0426 81034.9373 88922.7427 87099.4556 84148.5552 60203.4961 102611.7374 182247.1356 249862.8988 77899.9210 80167.4504 76661.2147 56210.5556 79195.5340 59712.5443 113347.3128 113066.5914 80446.7562 104556.5018 98802.7084 FA(11:1) 13C1 [+NH4] 77943.9903 301493.9985 244386.7338 290792.3297 136512.7443 76972.0241 120307.0804 250554.9288 209923.3883 25260.8458 18163.5820 12686.0610 31659.2402 24042.6499 14122.5644 13275.1455 10721.1920 81206.4957 218064.5019 105623.6153 125312.5228 102394.2791 331675.0032 319106.7865 57405.4385 61823.7169 122967.9765 277203.9325 18924.1782 10736.8729 13515.1872 19717.8078 58873.6563 10479.8035 18602.9473 12171.0539 12840.1880 18841.8130 138884.2744 13884.3402 13139.7367 409373.6782 182114.8337 127714.4702 315265.3066 248602.8408 263630.0562 199082.0187 10711.0013 17538.0825 22695.5117 11743.1225 12694.7935 9111.4963 11348.8619 FA(12:1) 13C0 [+H] 65313.8147 42471.8741 62872.5704 57381.1060 52217.8695 43945.6651 48397.7008 37827.2762 46663.3049 47746.4990 41356.8091 36540.8907 36449.6018 44666.6895 58823.1255 79800.6053 68547.4152 53851.8338 60547.7299 81862.6343 67757.0018 79126.0271 62740.0175 58057.6302 83571.7577 74394.2424 149136.9567 144446.7768 64689.1851 39058.1878 74283.5453 65714.2480 54920.0334 68352.1641 60280.5656 41067.6660 27164.6565 56793.3738 42281.0720 49194.7027 35141.6813 51998.4102 61399.2450 38549.8459 45115.5950 79946.0908 70304.5456 59665.8245 76801.9185 82962.0798 50559.8476 59702.5002 82901.3387 67011.1007 95691.1591 95494.4683 47076.5480 52855.9448 48935.1531 147964.8008 81363.3499 106745.8083 93395.3531 142688.4388 127756.7458 110335.8396 53734.9297 48391.2838 60512.6789 57301.4892 63895.3401 30752.7077 36807.1637 43651.9697 39206.6094 48113.3317 34066.9772 46924.9451 55951.0036 61507.4033 89717.3513 46086.1714 82552.3051 70937.9985 71010.0145 56804.6556 48175.3704 41928.6572 128618.9057 125810.4205 125471.1043 131478.0098 124351.8301 FA(12:1) 13C0 [+NH4] 35819.1867 39849.7747 22198.3021 28836.9737 50938.8429 20851.9276 28313.3034 15871.8834 18496.8230 13075.5578 12775.7061 60388.0131 39204.2556 29809.0698 22863.0683 11136.9478 13578.2483 16110.1962 43377.0425 40317.7696 42950.3272 27715.5962 10425.8588 12690.7414 14796.0473 14667.6242 FA(12:1) 13C1 [+H] 16438.7573 15649.5483 9351.9106 12054.2790 15596.1740 14314.5093 14868.8778 11874.3934 9869.1064 14568.2175 13827.1838 12335.1285 14101.3592 13997.5101 FA(13:1) 13C0 [+H] 13057.6895 14399.7392 15673.0277 13373.2720 12018.4693 15115.7427 15408.3445 12517.5839 11458.5192 14961.6039 13727.8487 14134.3027 15065.7875 14701.2826 13199.1872 15594.9152 15045.5231 14677.2831 12951.1694 13595.5153 15653.3085 15180.4150 15271.8360 11493.7848 11679.1269 12525.9362 13619.5824 14193.4488 15948.7892 14730.6682 13625.1973 15255.2105 11401.6359 12335.2780 12073.0609 13213.0867 16733.5937 10116.7005 15036.7367 14684.8453 13820.2260 11427.9091 12010.9803 10027.7770 12757.4367 15151.9203 13450.6390 14421.7676 15943.8645 FA(14:0) 13C0 [+H] 24469.2130 37429.8719 32344.9287 23215.9723 20455.6283 18550.8831 15506.7066 16666.3064 15319.1234 21086.1172 15377.3036 19060.3532 16807.5584 13871.6122 12390.6552 20623.6813 15345.4728 13734.3497 18828.9190 17647.5514 11213.4919 12825.3222 37671.6320 33904.5722 22999.2493 23657.6652 18349.8399 41152.8624 22283.9043 18325.6060 98359.4278 15585.5637 25741.8264 32438.8880 15368.0789 23541.3078 13828.0612 13710.7118 23966.4469 17804.8940 14612.8814 13724.6677 11537.9301 14116.2493 14899.8294 12392.6378 17075.3731 13125.9945 11578.7023 12333.2889 12021.8276 29363.1135 17266.0716 20236.6025 18545.9677 13785.8584 14521.2053 18084.9636 11420.6187 17303.0262 23244.3289 12984.6801 10671.7392 10549.8358 FA(14:0) 13C0 [+K] 27187.8486 20038.0786 21541.9910 FA(14:1) 13C0 [+H] 18192.6518 16390.9568 22010.2546 17399.0988 13313.6999 15520.8761 15512.2088 16474.5828 18286.5042 16557.6986 16289.1797 15290.5613 22815.5289 17783.9540 19590.8477 15095.8307 13131.2504 15963.7529 21323.5587 17896.5794 17576.6338 36657.5691 37118.3472 18411.6276 21855.7482 17103.0793 25543.4476 17529.6716 21391.9491 18172.1989 17332.9312 19615.3082 18451.4152 18003.3617 13759.2365 15606.4042 19252.5531 21572.5624 16756.1811 15336.4067 13030.7372 14509.0014 15494.5819 19352.1055 18713.5204 17308.4460 15762.9303 19084.5664 14072.6300 15553.3581 15737.6067 15555.2401 15357.5391 20250.8149 11855.0648 17899.8819 20708.7918 20048.5081 16001.1611 14718.4118 11338.3967 16525.7368 23335.5578 15929.3528 20201.5732 22311.5348 FA(14:1) 13C0 [+K] 20132.2471 42237.8975 53913.6516 FA(14:1) 13C0 [+Na] 69525.7128 85966.8766 63417.6660 28601.9824 31611.0353 72200.9878 45717.7507 116485.8282 63394.3737 134867.5999 192257.5107 18762.4194 25341.2144 50681.6816 11529.8324 160404.7819 120328.8038 73121.6421 110246.0890 37362.8689 28877.5587 29445.0504 FA(14:1) 13C0 [+NH4] 47206.4894 50452.3969 40089.3402 22828.4203 21750.5560 32614.2423 9766.5290 10401.7486 46135.6551 40189.5084 59417.3160 71542.5427 63915.5797 73538.3232 13775.6101 30929.1213 25176.8548 12418.7465 16397.3219 11231.9825 11947.2478 12242.6714 73649.3316 67584.6326 77994.7939 54323.3933 10411.3153 12062.0078 FA(14:2) 13C0 [+H] 9977.3810 12294.4247 10867.9702 10972.9517 10966.0047 11838.4847 11428.0546 18119.0565 12955.2235 12092.9500 12004.9902 10129.2833 11998.2385 13043.4562 8779.9453 10769.7924 11921.3209 11751.8710 11605.4584 10382.2919 13554.0018 11735.3458 9493.2531 14131.6325 14121.3054 11470.2326 12219.3297 14915.6926 FA(14:2) 13C0 [+NH4] 38984.3293 42150.4694 27699.3996 48165.3853 87379.4205 89253.8651 224144.3193 58005.3870 80711.8403 103155.1815 21981.8342 11800.2686 29650.5950 34108.7946 55663.2920 35491.4324 15340.2151 18037.1483 17791.4581 38242.5303 111564.6491 70291.8517 19338.8484 61252.2925 94550.9716 34426.1013 172790.6622 46384.8810 42059.4352 40253.1045 29596.8530 28240.0997 35909.8575 24232.0399 24969.9965 40172.6772 16638.1894 12718.3458 14532.2837 23947.7814 23853.7978 20157.3164 37958.3112 24802.4257 34503.6847 40507.3727 28587.4202 22746.1218 25674.9183 11495.7546 12019.8907 40021.0459 27381.3747 22995.4762 22788.9342 31402.2480 25329.3501 FA(14:2) 13C1 [+NH4] 31043.4070 14668.4598 22350.4423 FA(15:0) 13C0 [+NH4] 167892.3468 823406.4771 101631.9203 55923.2655 61098.8132 36809.6499 16063.7610 16323.9282 16088.0636 85382.0639 270744.2604 153435.5452 138442.8452 41699.9147 82434.5329 73128.2568 58059.2715 25995.5214 18147.9458 16929.0647 14732.9036 15768.8878 14381.2585 140087.8482 93861.8758 92179.2142 95032.7134 79846.6305 11636.2440 16430.8572 19634.6970 12514.1634 21406.5315 20565.7531 FA(15:0) 13C1 [+NH4] 118783.0139 40829.7240 FA(15:1) 13C0 [+H] 19055.3678 11206.8715 13382.7139 11644.1297 12059.6673 11194.6503 12212.6647 13773.9701 10890.6494 10110.9092 12538.3717 11530.0234 12110.1140 18050.0055 14547.0867 12708.0631 11185.6497 14417.5494 10855.8741 11515.5975 12665.6825 14122.7203 9293.9302 10838.9809 13504.1382 11779.6560 13991.7543 10752.7995 10914.4562 14492.9333 9779.4972 12504.8800 15785.2485 10528.2637 10933.5143 11173.7663 14365.4197 10658.9878 13638.3585 17819.1622 FA(15:1) 13C0 [+NH4] 100181.2597 226204.3621 68794.1044 45229.1341 43644.5318 28695.8521 38554.8775 18325.4212 18582.1222 12766.5599 15344.2970 11277.6053 15174.3714 10712.6290 16389.8157 17366.0250 12424.5004 11929.7827 14087.2624 20177.1403 18865.9729 19087.5256 78483.7959 97013.6920 121219.6326 104554.8806 32902.0085 66923.1237 60155.8892 42870.9656 11726.5917 27002.3078 24518.8298 23508.2196 15519.4864 20396.7314 17559.3387 17218.0551 17889.9105 17946.3512 23333.4820 13290.7299 13837.2143 15816.9608 18012.7559 14805.8603 9584.9725 15427.5374 16314.4899 21406.5950 18488.0158 17720.5497 15189.5985 17802.8751 16387.1804 83859.1820 74228.2604 81929.1924 77972.9020 56693.1421 15921.2917 14213.0493 15564.2348 18117.4288 15028.8159 14086.1333 13147.2739 13161.3666 10304.2717 13895.7359 23501.4816 14464.4940 23596.6562 27041.5538 FA(15:2) 13C0 [+H] 9208.6999 FA(15:2) 13C0 [+NH4] 18392.9859 17060.5759 22414.0971 40993.8786 15989.1144 9307.4825 60481.8495 51520.2899 22689.7080 18730.4416 29537.6043 11525.6906 17143.7184 17340.8492 32141.4445 17081.2508 17922.8373 15976.1998 FA(16:0) 13C0 [+H] 89070.7333 67490.8850 65142.4983 66186.7809 60775.1777 57840.7914 60471.9669 43357.2311 40554.0118 38445.7921 31787.9229 27842.2654 27495.8804 46309.5892 23813.2667 37121.0619 27598.3845 21175.6223 16802.8356 35006.7276 28706.1207 26250.5349 32058.4544 28558.5215 21983.0635 27293.5762 20362.2439 21717.1731 94847.8132 57941.6744 82785.6015 95526.3337 67910.2988 59149.0088 58694.4729 80701.5091 34507.3873 73367.1613 51386.2401 36341.7689 118346.9569 30810.0449 49465.6333 54073.2045 28527.9057 39743.9622 27149.6483 20102.7443 21184.2156 32266.7625 27673.4970 22559.1326 21824.8238 22035.1166 22021.9281 28894.9986 28176.4781 26629.8840 29275.4260 27182.6071 20422.5441 21037.4584 18719.0233 20689.8852 22845.7255 20183.0859 17026.7731 70924.7611 65944.3911 78613.9473 51901.4891 63365.5227 38941.5043 45023.7119 51569.9275 27432.7955 31804.1836 37648.5029 33575.6741 22315.8899 23249.3128 30931.6987 20131.0651 26318.7736 39202.9491 23512.3095 30015.1653 27898.4405 23375.5385 16012.7412 19432.7416 17962.4541 18312.0236 21689.9020 FA(16:0) 13C0 [+NH4] 77610.1270 160167.5724 40371.9000 37884.6519 35741.6914 25510.7951 21377.7766 34005.3898 19999.1336 34921.2255 25317.7627 25222.9881 19616.6735 23240.2222 23094.1846 33124.2682 20898.4090 34329.0577 27983.8870 13686.8035 19937.8839 25032.8229 31854.5572 19246.2149 17424.1552 45126.6818 43284.2212 23407.7186 25304.1248 70346.2764 60717.3450 95397.1267 29940.9724 43302.6023 26635.6950 12010.9841 30105.0260 27860.9517 25850.7060 35119.9837 43270.7947 23442.6999 38697.3473 25173.7823 19816.6421 29530.3827 20065.8200 22108.0279 26431.7034 27271.1741 25758.8170 29586.4053 33376.3660 37104.7123 20577.2980 19563.4781 19062.9219 22523.9182 52275.8220 46506.9784 40718.0799 23223.4468 24918.6771 16720.3030 52895.8360 51342.5240 64571.9866 50514.9707 121344.3220 36045.5954 22249.0703 29722.1819 32762.3206 24296.1211 29034.4489 31922.2755 24127.1560 19351.8380 20962.7630 30518.1057 28048.4991 18087.3122 20862.6434 15843.0375 16873.5792 45059.6165 21427.4771 43135.1516 48291.1839 FA(16:1) 13C0 [+H] 113621.1148 34558.4060 24674.6752 16207.2710 14462.8942 13598.8568 14425.9602 13414.3871 13800.4711 12696.5053 23876.4040 16419.1898 15577.4053 13006.5171 12290.9520 14336.8573 18048.6347 17340.4576 16805.3416 33857.6559 8965.8209 22064.6783 19217.0647 16888.5486 13979.7736 17735.3506 16593.3376 16724.3629 11913.6654 12576.5603 16799.9335 17145.8427 14366.3062 14798.0692 11645.7606 14914.0639 14718.2255 19642.8772 16442.5933 17122.2955 15089.4456 16883.0584 14276.1644 39380.0365 41322.5465 14942.3621 15756.4875 11915.3323 13456.4875 16355.8459 10870.1799 15799.2432 21510.0883 16360.0136 12654.6189 13474.6855 10576.2974 13993.1760 21458.6747 13631.6113 19743.1193 25314.1762 FA(16:1) 13C0 [+NH4] 594758.3517 1621643.3250 390535.4777 194179.4336 279285.1388 184489.0719 107865.8708 95198.9033 75715.3454 91935.1935 82747.5038 97527.0414 51530.5206 57921.5890 65027.2263 63263.0243 74058.4885 47152.9735 88669.5788 54033.2923 79064.5851 99556.5704 108052.3147 67910.2138 68204.0289 73612.4292 144579.7098 111179.9074 105273.3713 430393.6161 584192.4380 565261.9339 541628.8125 168044.4468 326888.5124 208398.9004 227535.3976 46667.1685 108319.9437 87969.2541 75829.3704 495010.6502 87994.8413 112489.9784 249392.7517 81642.4712 86546.3528 128396.3264 83741.9317 76409.0188 250060.0009 84651.8868 193103.0888 54113.7622 69837.2362 94211.2444 124608.7240 99801.7030 77977.3898 47176.6924 110620.0361 81404.9963 120818.0904 78519.0426 82476.8365 72685.5731 94768.3319 99033.0374 440166.9368 340988.7808 446556.5586 542528.2438 325310.5382 44588.0902 105831.7336 127717.5538 74891.5586 92725.8970 62576.7273 97066.0311 48162.3727 75106.8271 66593.3955 39503.7412 97283.9749 70675.7520 90867.0838 66368.1574 70589.9556 40037.8681 43666.2030 149414.3652 66984.6065 144348.8749 167232.6357 FA(16:1) 13C1 [+NH4] 92064.8711 246878.5438 61585.3192 54917.2145 29387.2066 17723.7524 11440.3231 12868.1022 15103.9392 16628.9659 16470.2172 23822.9220 18068.8255 17319.5111 71179.4916 94082.8211 83316.3905 89571.2308 29697.7957 57554.7231 34144.8015 37561.0618 21386.1367 14855.5787 12239.5986 38063.4249 15368.8869 35394.5239 11720.6855 15707.1538 20164.4107 15260.4645 13923.8942 17298.5116 13657.1078 19872.0969 12121.8680 16117.3522 15294.1997 65701.0591 58367.2843 79144.2498 87687.6887 52899.3446 16099.0258 12792.3737 15419.3149 16285.2580 12590.2971 23876.5274 11184.4759 24381.1367 27972.0119 FA(16:2) 13C0 [+H] 9299.7663 10804.5044 17792.0713 11421.5320 37034.8866 9532.5551 FA(16:2) 13C0 [+NH4] 64467.8961 126056.5733 42410.3946 35359.4860 20404.3737 19966.8959 22395.8477 34658.3373 20945.7490 17243.2382 18918.2549 14500.9929 13787.4206 15905.0783 15697.5977 14003.4112 18755.8940 12994.8933 23423.9066 24551.9238 17806.8524 17144.2780 48167.1834 57395.7588 66831.5143 71128.9707 23852.2376 27091.6535 22739.8791 93527.7126 32855.7166 17437.7826 25043.0255 15782.9382 16719.2320 17428.3462 17106.6351 18232.6689 15136.4582 14095.6809 15380.7537 13984.0706 34434.2022 27471.8361 25477.8943 13975.4132 15631.5520 14279.6976 59011.8426 39704.8136 62136.6850 59642.7327 43337.7824 17883.3398 16320.0753 12965.6186 15794.5944 16510.8171 13219.4762 36813.0344 12932.3437 37750.1454 39778.9222 FA(16:3) 13C0 [+H] 544544.4528 197966.4797 293158.5445 54670.2349 47339.0054 34234.4338 197921.7686 362377.8627 185014.4498 88353.4430 48246.4315 83191.8507 92071.7054 55584.3748 66362.6320 17286.1918 18333.9659 14084.9990 13910.7943 14332.2049 23318.9125 16565.7842 17062.3481 19807.7939 16443.8363 14266.0434 17899.7998 13678.1410 15036.9351 640883.5003 205299.2080 242250.3339 488941.0328 53957.7688 44398.8885 50942.5876 25355.5704 78464.9263 323077.9833 231897.5572 101485.8556 78306.4007 119077.9722 126100.0098 92052.5615 92125.2202 16706.0401 16486.9990 16568.9129 17838.4379 14842.9325 19192.8940 15791.7921 14131.5594 16757.7804 20961.7870 14939.6619 20181.4500 17720.3662 21634.3206 14009.5650 17354.3859 16531.0832 15556.4175 14578.8317 18397.5694 11843.8283 429439.3766 371552.5643 470591.7873 46711.1563 47987.1445 179665.4204 191137.2298 115356.1735 67382.1719 98179.0503 88777.6707 109320.4842 14047.9626 14632.1939 17468.0414 12693.5660 16610.5789 17491.4391 17608.1962 19237.0698 22919.1195 12110.7360 14146.9465 17372.1448 13231.2267 14372.5574 18033.2967 FA(16:3) 13C1 [+H] 89465.3304 44847.5616 32538.8607 59459.4688 29749.0727 103271.0992 43074.4837 82304.6823 56429.6638 38416.6331 68419.0062 59708.7563 85799.5938 27688.5809 33314.5416 19760.6510 FA(17:0) 13C0 [+H] 51308.4862 41031.4391 20600.5089 37804.2541 43622.3635 32052.6148 27659.7878 27297.0504 21784.9120 21795.9380 20668.4559 23373.8467 10244.3107 11651.7953 10840.8490 12328.2075 15291.5159 14994.2194 53496.2410 39018.4270 50748.3038 60445.5122 25090.0396 23754.5696 24475.9901 45300.9813 39720.7829 27194.5993 54621.0518 20612.6944 29730.4604 32258.5687 20034.2303 12222.4685 11266.0222 9660.3816 12716.3713 14956.4263 13975.5626 14804.5835 44892.6723 39022.3596 50943.4441 29081.5066 32173.8904 28703.9911 19252.2409 23133.9964 23037.7835 10014.6800 10360.0462 17989.0278 15108.8316 12213.7833 FA(17:0) 13C0 [+NH4] 9411696.9060 50024254.3000 4938330.1590 2642100.3300 3385099.0680 2064195.2990 1551987.3110 1454791.4580 1628597.5020 3128320.5470 2645386.6450 2057348.0930 1192806.8230 1294255.1020 1558950.2470 1445893.3570 1694483.0360 1088076.4070 1723991.4740 1130891.3510 1137936.7850 1644829.9620 2340439.0720 1436625.7690 1267816.4670 1280786.6020 1652007.9070 2241349.7310 2103212.7950 4933113.1210 10734948.9000 6177624.1570 8639309.4950 2386787.8250 4247683.5740 2783439.0660 2175599.8720 803698.7425 1677016.6490 1496714.9180 2360940.0080 1198776.6320 2045701.6210 2796918.9260 2100885.1400 1508099.3360 2005219.6720 2366965.8830 1888366.9490 1143628.4040 1968253.5300 1927912.0890 1329562.1680 938240.3787 1853840.7860 1986994.5100 2213340.0520 1093694.4580 1343727.1650 907044.4593 1701007.4050 1569669.2810 2036412.1800 1445121.5350 1592884.4270 1668527.3460 2367296.2250 1418016.1430 5506252.2190 6618762.0080 6544612.2880 5185098.2500 3964789.7400 1555057.3330 1422833.0760 2308608.5710 1406205.0100 1854519.9430 1607004.5300 1775272.3910 1252815.8540 1678929.3540 1580166.1870 816876.9873 2250279.8130 2191612.4010 1578350.0790 1585416.4730 1429971.4210 1574852.9580 2657307.3430 1516645.3170 2752489.8740 3454290.6910 FA(17:0) 13C1 [+NH4] 1644471.9710 9122859.0370 832679.7090 417116.1504 552508.3032 342540.7565 253417.3215 230730.7478 266547.2353 532342.7957 444048.4163 341759.5057 190404.5521 204753.5186 247550.6345 244615.9771 278413.9066 181048.3866 290774.8867 187558.3550 182164.0568 275642.0930 404301.3785 237599.3599 210653.7826 205467.4544 264508.9711 388989.9583 360341.2658 822325.3146 1925867.4730 1049778.5250 1470584.3490 389028.5768 696421.6173 431646.6413 357961.2047 130205.9182 269176.4968 236464.4418 385186.5279 195743.4466 332488.0358 470486.8807 332838.8390 235974.7676 311647.1518 414596.4983 318318.4571 191217.7870 323707.8362 327782.0047 216126.9318 152343.4761 317195.6582 336233.4043 377831.7066 175456.4456 219915.4196 147585.5226 287630.1898 263771.2128 346887.5206 231765.3288 255323.4761 286262.2862 404925.1408 235167.7454 927490.1045 1174107.9680 1097752.1290 863451.2543 642360.9036 241947.6734 223969.2420 362774.1390 220291.3353 292417.7433 247502.6948 296830.8916 209547.5470 286590.2908 258392.2165 132282.1141 397244.5036 463532.6893 365795.1338 265101.4180 271315.0117 244470.4502 264236.0484 459357.8984 258616.7215 482749.1839 605253.8109 FA(17:0) 13C2 [+NH4] 120753.8808 667862.8341 61440.8895 45376.6350 26871.9035 20324.2804 22253.3517 41418.5116 32256.8432 24284.3152 16144.8404 17399.8460 18928.5058 18484.8956 21138.0617 13363.5145 21264.2238 13837.3782 21226.3790 31707.1823 18510.9991 17171.9535 15694.8228 21950.8277 27161.7459 27079.0791 62900.0548 136233.5293 80189.3772 111928.0865 30760.8816 52189.0659 28809.0561 11098.1853 24234.4842 30645.0121 25336.7391 34018.5119 19123.1496 29615.0792 23832.5173 14389.9107 24572.6685 23793.1156 17935.8515 14007.0311 23273.2816 25271.6518 27899.7061 14808.5946 17106.0372 12410.1970 21362.5682 19608.6725 26049.4270 19174.7646 18487.8513 20616.6811 29615.8486 16928.7792 67062.9276 81714.1092 81989.7861 65272.0503 53831.1817 22740.7169 30415.4639 16806.9506 21564.0902 14983.0459 20650.6942 20200.7072 11366.3695 27484.6399 33651.0451 27004.8897 19460.5389 20376.6929 18148.2840 19680.9979 33286.0746 19354.4467 35054.5757 43794.5110 FA(17:0) 13C3 [+H] 78967.9320 FA(17:1) 13C0 [+H] 25093.5551 16818.8395 11761.5524 14084.1033 11000.6155 12204.9598 11367.7054 13464.5045 13426.8273 10446.7116 12668.0597 17145.1600 13023.7204 13950.3479 20757.1483 22857.7804 15628.3587 13491.0597 13835.5245 13765.9832 11074.0029 14133.2579 14065.6437 12455.8073 9270.1657 11866.5334 17466.4774 12114.0800 13907.5489 12280.0111 15421.9174 15799.6616 10376.3089 11480.5462 13405.9347 12379.0255 19327.1473 13679.9125 11583.0351 16807.4386 11560.3044 16539.5738 18917.9547 FA(17:1) 13C0 [+NH4] 4000199.1390 2716488.0450 1876451.5970 1645261.5990 1688962.3040 1358278.8430 514020.8886 506508.7399 599023.3214 1273424.6620 680429.4957 533938.0877 483097.6904 590405.9868 469780.6490 457416.2112 650403.7376 339229.4362 320816.2519 509739.5448 413467.3440 366660.3788 912847.9194 400131.6134 170703.4976 722770.5326 656187.0553 414819.3134 591424.7733 3901374.0740 2266878.5630 5033309.7610 3996532.7930 1540436.0850 2031301.3190 1453891.6060 956967.1839 344945.7017 524255.0442 383310.0983 696882.5753 567100.3486 685506.2806 760387.3763 849411.2336 474559.5023 733823.3189 937395.7599 788375.0599 484634.9475 705057.3949 642033.4752 266577.0022 263547.6198 689927.1812 343050.9336 699614.0386 436956.0725 649101.8612 317923.7950 463358.6801 421466.9760 955346.2188 1112300.2700 376775.9329 465720.9727 582803.6113 350148.8658 1520065.2640 2185440.6010 3401564.9340 2239787.3660 1950569.9810 797042.7396 322273.7488 729361.6381 480912.6943 594080.8357 521653.8160 511304.0688 319952.6050 354262.0418 733195.0003 211641.0838 716435.0141 499646.1692 498515.7413 661196.6045 681126.1618 358388.3643 554751.1047 680268.5297 349303.8212 576407.5807 839997.6063 FA(17:1) 13C1 [+NH4] 642443.3128 434213.6679 299332.2912 264189.7839 268893.3592 216540.4434 82126.5817 86133.9742 94838.0016 200639.8159 108812.2228 83050.8059 78080.9577 93158.2128 72929.6280 71031.3213 104263.3467 55169.2344 51109.3849 80982.6212 69055.9457 57247.5536 145612.9676 63048.2534 27913.7397 112563.8835 102740.6954 65759.1265 94632.3358 636465.8008 352621.3595 852735.4732 636656.2901 244686.0742 319161.1067 239941.9278 149070.7922 53863.4653 85542.0531 61726.7778 112717.4341 97366.3888 107698.6587 121753.7693 136772.4919 75843.2402 122715.1225 148913.7917 124946.9234 77913.1387 108481.3954 100347.2983 41796.5978 42207.7653 112092.8846 55323.5228 110201.8374 68737.2705 105256.3454 51380.9508 72263.1793 68258.6676 151508.6572 177558.6823 61215.0310 74031.4418 93088.3554 55767.0898 234062.2764 347357.0687 540890.1610 353558.8498 305282.4999 118365.3330 54874.0170 114599.8372 76821.2264 98031.6130 84032.5182 78633.6310 51026.4818 55195.3221 116525.7718 33985.4848 112637.4176 79245.7980 80089.9162 104337.6387 109294.7632 56619.6497 90714.4573 108349.3648 56186.8145 91230.9479 132618.1234 FA(17:1) 13C2 [+NH4] 47519.9591 19825.2026 50354.2119 63223.9741 51157.0822 13097.3807 12216.7356 28423.3770 FA(17:2) 13C0 [+NH4] 201720.8470 171114.6652 126715.1717 76801.5116 101342.7757 50750.2631 22993.0056 20769.4295 34315.5403 30732.9838 25443.2446 15802.5258 18414.5559 18784.2377 15871.8345 20655.4972 13334.2681 19889.4343 14990.4446 24861.2846 22787.0372 26774.0358 15358.6459 13326.9010 17452.1175 24340.6357 21399.7642 24227.4089 164788.3482 153781.4861 251215.0106 182122.1617 63229.9206 123790.8460 84005.9735 63679.7144 15152.6144 24923.7162 23063.5435 24069.8446 34236.8817 22017.1309 38533.9345 26269.3187 18025.3899 24291.8853 25218.7104 20863.0986 20867.7752 19209.3299 23687.6426 23137.9381 12242.5616 24687.8463 18759.6545 30321.8180 29191.8356 18177.7967 18661.8044 20942.1071 17052.9494 157125.9240 120313.8419 172603.4125 181829.2757 117052.8421 29672.7154 20427.4767 23402.1984 12774.1799 18803.9555 17543.3760 10999.1876 26636.4643 20548.9180 16102.7334 21043.7193 17648.1244 10660.5487 36184.2601 15491.4923 42983.8275 41905.8180 FA(17:2) 13C1 [+NH4] 47356.0086 FA(17:3) 13C0 [+H] 23867.2887 31251.3956 19509.7546 25329.0327 18530.3970 15487.4377 14469.7008 9313.7021 11266.8717 14429.7817 15881.9631 15499.8295 21726.3752 14794.9596 17651.6287 67123.3093 29576.9891 30299.5313 29211.4165 35680.2711 51818.1707 22131.9373 13872.8016 14117.8913 15366.0721 12008.8134 18369.3728 22576.6563 14929.9922 13284.8246 20558.7053 15577.1435 27042.0478 43562.9414 51239.6319 33433.6288 16855.3944 28964.5381 25862.3774 12793.9171 16064.6366 12686.8426 17010.3030 16973.0568 16482.7439 15043.6213 17395.6361 16563.9026 11694.0691 12111.6190 19037.5476 FA(17:3) 13C0 [+NH4] 127724.5513 18672.3666 11295.9942 42194.7004 19566.4401 13893.3474 11772.5693 12751.3057 11354.8747 10099.6185 14214.1595 11808.1515 17154.5870 15030.7527 18984.9445 FA(18:0) 13C0 [+H] 26472.8977 8673.3222 24768.5592 9449.3297 FA(18:0) 13C0 [+Na] 166077.0729 FA(18:0) 13C0 [+NH4] 57181.9744 91378.4834 35369.2906 19311.1453 20121.6466 19929.0973 26574.0677 20812.3435 19934.5240 17367.6625 16915.8209 16914.4168 17477.5563 14084.2586 17198.7625 16594.9144 15582.9022 18426.9137 14378.8964 12940.1968 22979.8341 24656.0961 13910.1186 14919.7844 52805.1151 48006.5586 148802.8620 22825.3844 21513.4939 12135.8240 27935.0802 21410.4870 19793.5928 25915.1875 31794.6469 19836.7820 14561.5408 12590.4894 15849.1438 14165.8533 16340.3544 14337.3844 15074.8538 16176.1476 18756.7128 19911.7289 14407.0056 11986.2581 13041.2144 13468.4065 27258.9488 25921.8711 22818.9472 14083.4902 14741.0402 11394.7507 42860.3559 39084.3070 58343.3128 29201.0403 18321.7759 23724.2528 19284.7416 15184.7046 17504.2321 15285.5953 12146.5357 13800.5784 16283.8418 15564.7621 12649.5498 13391.4893 11072.6563 23446.2919 12322.7868 23066.4868 25741.0119 FA(18:0) 13C3 [+H] 2692009.8770 FA(18:1) 13C0 [+H] 66548.0844 263568.2767 49642.2273 45467.6165 40110.5374 22084.0088 25592.3870 39051.4417 26564.8915 24698.0203 26720.7329 23950.7894 17169.6868 16315.7806 18317.0138 18666.4884 22902.5195 15512.7106 21654.6999 18356.4610 28138.0196 25940.5719 21999.1393 16885.5579 17739.7326 18476.4167 29932.0310 29138.4222 27613.6428 47223.7789 72093.3478 49054.6883 77352.7516 27811.6543 61416.6016 55141.2670 39312.2235 13454.7757 31180.4897 33291.9831 23035.0627 18998.7044 30412.0159 34479.7259 22680.5935 29005.0241 23970.7647 20272.2931 26695.8256 23642.2450 21638.5539 17385.9063 16805.1874 25268.3554 23071.1154 16068.5315 20303.9826 13173.0096 25147.6748 21756.7842 36725.6251 33754.6700 25340.8032 20685.7927 23557.0483 22030.2308 63593.2492 37894.0933 55639.2135 79896.5752 56311.2699 21981.2835 30382.8550 30038.1351 19557.1667 23904.0757 15636.7982 18508.3094 22409.4964 14297.8993 23150.4338 35444.6346 22211.6174 17160.9541 17992.7374 10511.6040 15468.1487 41328.6545 20553.4855 39029.8582 57877.0041 FA(18:1) 13C0 [+NH4] 383441.8459 802212.2184 221519.7640 152478.6100 170884.2930 122555.0935 76491.7764 89152.6279 56254.3064 76292.7809 57477.8426 63778.3072 40537.7820 42969.9884 46030.3806 38955.6652 46698.3513 28686.7454 48462.7809 34570.1096 56132.0310 53520.6546 71743.7320 41669.2726 38409.9934 51730.1181 115725.3677 57991.0731 64365.8466 326462.7630 301469.9817 373862.2483 340416.6496 112436.6978 209255.4161 152142.4161 123885.6573 35320.4988 83602.5682 65868.3479 55426.2524 313206.0922 66797.7456 77180.4967 239096.4525 57447.1269 67011.4111 75527.6488 54771.2775 47006.9324 218825.0827 51330.9222 119270.9258 33744.2703 40400.0171 51442.9375 71705.6282 41295.5899 48277.8408 29315.4534 70073.4912 45600.1343 76297.0144 53857.3969 51989.3892 44247.9219 58125.8791 51255.6521 248810.7951 210034.2153 285047.5086 311067.1173 198608.9749 45325.3249 76605.0828 102908.8345 51930.9845 66555.4236 46667.2424 60175.1187 30181.7065 45444.7087 46543.0739 23722.2936 58305.0013 51030.6214 53066.2329 43564.9434 42333.8502 23170.9801 29328.8264 86474.5846 40816.1041 78730.1370 98561.8954 FA(18:1) 13C1 [+NH4] 71268.5233 142782.5741 44941.7215 23842.5698 14042.8186 22458.4153 11829.9772 12110.1139 64513.5611 57994.3986 65815.9603 63451.6386 25136.8088 44435.1251 13381.8456 40454.9403 26732.6539 13956.6676 14717.5146 45443.9998 41213.3521 61544.4884 64021.6707 42192.5931 11421.8079 18962.5790 14902.5820 20497.6599 FA(18:2) 13C0 [+H] 19178.7503 32246.6194 12497.1740 11884.3358 12001.4042 18419.9948 13976.5942 11053.1357 15550.5328 12853.2212 23255.8450 13263.9382 13495.3856 18094.0104 17850.7575 13995.7395 10681.4955 11034.7189 17090.7432 18909.5354 17241.9754 23374.5163 FA(18:2) 13C0 [+NH4] 88696.6904 90018.0982 37463.7119 114852.7266 56826.6975 38306.2889 27117.1354 46486.3581 52529.4540 27467.6466 29382.4094 26182.8328 29046.0720 23623.8662 22186.5217 19686.8901 15084.7313 16697.1770 18639.4538 37529.4907 27423.2274 19149.8758 22139.2151 21281.7785 57469.4119 41147.8184 15754.5277 17163.2722 98809.8675 50417.9440 64207.0560 63451.3510 25839.8590 72008.9023 69322.2138 24327.0793 11528.4888 31528.1072 24930.0760 117579.0064 36422.2110 44335.5831 39395.5880 26759.7971 39974.8656 21748.9839 23345.6372 21096.0169 31561.1051 26909.3420 24549.7308 14757.9027 18848.8709 21938.1410 21653.0424 19711.2560 23534.7754 14672.2975 28575.3131 15156.5398 50529.0005 63651.1995 56792.0484 15111.8437 26358.7383 13429.0024 52469.2787 69842.3221 69148.1109 58142.8334 56955.9422 30021.7255 66388.7786 24234.1051 21773.7435 17476.2389 15002.5790 21282.8532 15291.0366 15736.5327 18627.7542 15198.6023 14850.6323 16343.6020 13974.4233 13139.9426 55836.6417 14204.3377 62896.3374 59286.0471 FA(18:2) 13C1 [+NH4] 12126.0598 12273.6636 FA(18:3) 13C0 [+H] 2501023.5660 601868.4951 1122531.4140 274257.5972 266890.2533 188574.4001 537163.1183 1239335.8210 533281.5601 470164.7119 147438.4778 362777.9460 505649.4103 263181.6748 288648.7452 44744.9944 29525.0456 21598.8650 20959.7263 21188.0540 33002.2063 35183.4194 36470.0844 82718.7069 61488.7544 24380.9440 30176.6457 18546.9212 21018.7285 3319991.5090 800494.5134 1158216.8560 2351360.1100 309921.3172 199950.8302 224485.7587 107887.4539 209421.1978 1031276.0600 611368.3194 457509.9219 493131.2487 407830.9805 526991.8037 900649.1318 406822.9599 587881.2269 26082.5759 19509.8910 32742.0228 33230.6203 21093.6810 43730.5609 31003.1620 29094.6497 34853.8359 60397.1685 25422.1652 87235.4107 69576.0498 98137.2940 15827.1517 28325.1289 30427.7212 27933.7859 18754.4508 27607.6450 16056.7378 1667882.3740 1509890.8620 2001903.1610 229301.8091 255162.0279 580492.1749 489717.5402 730682.4998 278408.3608 449040.9828 534620.6900 516311.7056 29718.2715 28115.4948 31601.8647 18832.7883 24046.4343 27503.2840 29826.1940 90046.3433 116188.9338 32974.5236 16285.3222 24153.8272 17030.4087 23094.2323 31952.6841 FA(18:3) 13C0 [+Na] 88611.4970 45917.4906 20024.3943 16532.1177 25164.3272 130297.7939 53106.5139 63373.6141 43059.2790 23593.2787 50197.4888 59793.6600 50549.8369 34738.1508 33557.8003 25106.0796 FA(18:3) 13C0 [+NH4] 25589.4614 22334.8947 16992.0812 15392.8630 16579.7295 11730.0944 14098.2919 33855.6361 30644.2352 21872.9529 14246.1423 35277.1463 43019.8712 39753.2693 14261.6129 11502.3769 9720.0757 29786.9452 39228.5978 44918.3284 FA(18:3) 13C1 [+H] 434016.8509 115132.6325 193607.1450 63430.9287 51914.5085 32773.1294 90593.2136 224333.5740 91467.1701 89551.1615 31862.0170 63675.8929 89253.7633 47705.7831 50980.1834 16278.1707 576803.1509 152188.0913 200609.1757 400218.4283 55933.2996 45344.9189 182687.4715 111804.3372 85793.7293 71798.7577 92347.5875 169887.5493 77777.4282 113306.8998 17420.9276 13496.4536 18592.7248 276653.9895 255456.8933 352353.6393 47338.5517 52246.6965 97468.7106 88329.7705 128075.1120 47765.6563 88165.2866 97253.4856 90692.5321 18461.8195 20171.2224 FA(18:3) 13C2 [+H] 53878.7513 FA(18:4) 13C0 [+H] 94439.1529 63699.5207 59897.8019 63233.1464 46652.0403 56222.2478 44032.2634 105539.3172 32562.3482 50217.4474 78173.0160 61321.3213 35094.0255 56147.8502 53020.7664 24457.1281 33731.6659 32431.5571 56925.1093 45344.4979 71574.8626 54921.2654 29374.9778 49622.7603 91681.9667 52474.3426 76959.7071 158553.1127 80075.9362 93630.0826 141524.3854 74078.8042 62817.0240 80005.1582 35376.6375 69039.0124 44502.0578 77606.7178 163997.7740 71383.3814 77566.6934 197090.3353 49290.7128 73526.6662 45967.9924 42685.8826 56422.1910 65715.4711 35654.6890 49243.1788 52614.2587 42783.0436 63441.8636 102009.1575 26267.0231 31070.8775 20045.2911 53436.2639 44067.6044 105005.2082 76202.1547 46156.3943 47292.8821 123647.6436 34948.4825 76353.8392 111660.0567 134883.2258 57164.6866 69549.5624 70849.1460 29231.8829 97418.7168 35291.6511 79361.0246 75902.9820 67780.4703 45042.0522 45141.5721 55215.0747 30911.9117 46553.1164 60971.2397 78306.9290 53453.8627 45986.4423 22005.5856 91699.9830 48718.2025 35503.9177 36321.3203 68866.3648 FA(18:4) 13C0 [+NH4] 20172.5930 20185.0852 25170.1966 27101.3406 14570.6984 22732.7788 29162.1921 FA(18:4) 13C1 [+H] 12637.2242 22212.8357 24809.8800 FA(19:0) 13C0 [+H] 19231.2583 16281.5867 14468.6124 35201.2204 32862.5883 11624.8808 23954.0856 FA(19:0) 13C0 [+NH4] 3308431.9060 18441586.6900 1586249.9810 786246.0393 1129896.7460 662810.4970 416180.4923 392998.5973 428209.1194 842567.4369 721310.1009 538837.2919 306039.3588 338521.8110 404657.7613 383629.9767 440011.2816 295200.5834 471549.3897 279014.1455 322023.0890 432210.2815 627869.0411 373807.1445 339117.3641 314172.6945 426190.4109 585536.2041 554587.0561 1582917.1730 3599542.5790 1833011.2340 2844997.5860 778888.5694 1328374.3900 870358.0088 716263.9816 202158.0459 455275.0321 397306.0935 624008.0158 286502.6229 532485.9769 761602.0117 562422.3687 384236.8739 513894.8131 621486.0410 490415.1024 321302.3128 496681.0857 509069.4273 358104.3435 271288.0630 508041.2189 543063.5212 617643.2226 303536.7494 356485.0678 244339.4003 455817.0747 375765.7624 509527.3304 354345.3091 412618.7974 425082.4775 618589.2373 366227.1325 1719178.6360 2034178.6220 2069360.6030 1797369.7280 1331660.2870 391814.8542 358107.8868 620314.1740 373339.3322 475453.2644 400194.6713 481339.4497 324449.0875 458457.1714 426845.4990 217236.3303 628400.8741 701167.2949 544044.8578 407931.5548 412214.2269 389717.3474 376562.3182 674441.5968 401311.3362 688652.7314 943435.2094 FA(19:0) 13C1 [+NH4] 616138.0548 3703470.2850 288015.0349 148676.0247 209267.2418 121302.2586 79243.9150 71068.3306 78763.0055 155841.4911 129195.3419 97416.7220 56991.1856 61329.7229 71810.1505 68083.0547 80398.5887 53904.6217 86053.8508 51400.0103 60064.6588 78915.3005 115112.6987 67635.9806 62266.7424 59321.0777 79794.9333 105472.4536 99518.4258 296016.1319 679599.4768 332819.8556 516149.4983 142828.6745 248692.8277 164214.9021 129585.3951 38149.6552 84915.3908 72632.7041 113030.7932 97108.0548 137797.7844 106249.5762 70968.8438 93595.1929 112902.5417 90103.6063 59469.1035 93591.1165 92782.7824 65857.8184 51082.1710 90276.5498 98942.7481 112282.4714 57382.2907 63942.4042 44894.4337 81724.6686 69467.4756 90977.0333 66900.3151 77929.4794 76883.1696 116622.8480 66659.9688 322987.6532 371543.9051 379015.7827 328200.1127 246745.9526 75956.9779 68057.4506 113990.6023 70061.0080 86027.7625 75626.0873 86974.9792 58987.9143 83262.6587 79432.8006 41226.0450 114085.0604 124458.1222 98121.5672 73260.3119 74893.8132 70572.3724 68656.3378 120869.1710 74091.3350 124778.4854 175941.4669 FA(19:0) 13C2 [+NH4] 58270.2433 311638.0500 59411.4331 36792.9008 11068.6336 FA(19:0) 13C3 [+H] 55322.5656 FA(19:1) 13C0 [+H] 15522.5249 FA(19:1) 13C0 [+NH4] 1134399.8510 1041137.1310 497424.3906 496605.0356 501551.1849 368554.4450 148207.5423 179555.0969 173620.6458 356434.0123 205999.9462 167816.0604 145730.5628 168506.8766 148429.7821 135191.1217 185428.3392 104777.3846 97180.3170 135292.7524 133799.3582 124519.6337 252973.4261 125036.3350 66892.8558 190058.1414 180735.7406 112965.3639 160281.9664 1109859.3630 699742.2339 1366066.3190 1187604.2750 439668.6486 573940.3314 455950.4657 273066.2018 104082.1801 186005.5969 128496.9152 211486.8270 190696.0153 197550.7344 232082.1948 268255.0240 145289.3827 225666.5088 261812.7009 218697.7578 136652.1450 196830.2567 190152.3158 84160.2438 85710.2975 196352.6587 112126.2741 197289.1750 138348.9235 188086.4598 105959.8303 138703.9805 116890.3031 260147.1051 295800.5599 120301.1686 132085.3759 156291.4824 99384.5609 447248.6269 614412.4486 953832.6276 647441.8775 579741.7065 216524.7645 105550.1083 217099.8276 144113.1158 182165.2844 170858.6178 158661.3718 94924.9627 107362.1590 214715.7914 67438.4474 206549.0834 154208.0924 151451.4313 193694.0455 197207.1973 115519.0417 147635.6900 190638.0743 108103.0579 161974.1380 237756.6952 FA(19:1) 13C1 [+NH4] 209853.7306 193514.7798 90211.8000 94637.2738 93700.7344 70296.7077 29377.5117 36838.6218 32199.4360 68245.4102 38913.9730 32459.9548 27204.1187 32728.4846 26948.1900 24916.9371 35403.3767 20463.7835 17927.2539 25398.5286 27418.6116 23676.1824 46770.8391 22894.3368 13412.6231 36240.5246 35015.7745 22369.2791 30242.1124 202523.1173 129547.4051 251341.9406 223258.6318 81424.8604 109511.2276 86566.1334 52140.6643 19938.1521 35856.9065 25893.1253 41913.7519 36560.8907 42625.8207 52096.2755 26802.7584 43765.6948 48065.1847 41118.5549 26219.1149 39536.6933 33874.2040 18219.5090 17223.3421 35276.9318 20562.0520 38538.7361 26929.4502 34749.8069 19884.6680 27231.5849 22414.3685 48116.8711 55823.5209 22702.2041 25636.1207 30783.7368 19930.1128 88475.1889 111637.7106 180884.1659 120879.4770 112250.4796 39434.9181 23789.6079 43885.0785 28365.2794 34233.8646 32390.3479 30258.6743 19309.8188 21003.9835 41033.2212 13422.4150 38706.9431 30666.2307 29669.8270 36080.1533 36101.4158 23011.4306 27441.3471 37245.9535 20527.3259 31172.0569 45293.3268 FA(19:2) 13C0 [+H] 54264.1038 21016.8604 14204.9150 22054.1095 43676.9834 16981.5349 15811.6903 17677.9601 FA(19:2) 13C0 [+NH4] 125574.1446 87957.8824 80397.8229 58985.4443 64757.0068 36084.2314 31544.6488 38516.7561 22825.5834 41239.0461 33485.6517 27320.6920 21203.4201 23682.7432 22325.3640 18114.8392 22359.5200 17726.6273 17548.5107 14795.6421 31512.4385 21261.8440 25499.7601 21665.0038 18735.3614 20954.1427 22070.8716 20494.5860 22548.4790 120793.5716 89548.6783 142887.4747 127093.5553 41845.0499 81264.6904 65844.6966 38100.9570 16456.1188 42562.2663 25404.1880 28595.7247 25078.5615 37156.6024 46531.6969 25522.1192 36024.6641 33070.3732 22019.7358 19194.3311 21460.3702 26381.7323 22404.1653 15331.3432 21897.3401 23179.7355 26147.8723 25388.6974 23602.4274 17829.5212 23285.8959 18514.6039 28123.5039 24059.5997 23790.3567 19759.9410 23230.9354 14896.4347 95761.9604 84142.4411 112322.0139 106819.1042 75628.8981 34720.2588 21798.0076 29819.7833 26997.3178 27243.2650 15211.2485 17900.4148 24179.1760 11880.9023 24285.5113 23207.4370 19532.0010 20515.2881 21997.5507 16384.5635 16881.3710 28654.6377 17319.3748 31050.7490 33526.8987 FA(19:2) 13C1 [+NH4] 34112.1728 FA(19:3) 13C0 [+NH4] 45940.8818 35271.9987 FA(19:4) 13C0 [+H] 12543.1231 18250.2844 13817.2950 29095.7595 18235.2638 FA(20:0) 13C0 [+NH4] 15178.0496 14081.7337 12623.7135 FA(20:1) 13C0 [+H] 173665.1047 33975.0002 18092.3227 16948.7933 21224.6516 18693.8989 14976.8403 12912.1172 15629.3854 11159.6659 15240.6595 11336.8544 16577.6728 16574.3411 11793.9417 24227.4763 17532.5201 16991.9479 46845.3976 34886.0096 45691.2202 27251.5953 21438.9153 23511.8837 16119.7407 19720.8276 15022.6774 16617.6302 18247.6848 15677.1285 15628.3258 17462.6381 15852.1689 14288.0792 9272.1883 15812.1294 14028.2660 21178.0720 20418.8836 13041.2560 15567.2977 14555.7004 42826.3843 55565.9460 15168.6985 17625.7879 12454.9984 15257.3134 14614.9796 22601.6765 15819.7751 10900.8740 12291.2412 26256.8343 13219.6431 23133.3985 39009.3967 FA(20:1) 13C0 [+NH4] 62018.2852 76736.3497 37000.5333 33576.6237 30836.3467 25357.0472 19660.4028 26898.1091 26063.9147 19975.5375 15087.7166 17254.8568 16201.3752 15383.1909 19039.4586 12982.4457 17508.2407 13104.3475 22733.1298 17632.2885 29638.9861 14996.3852 14725.4975 21084.9393 38820.6075 18089.5420 22366.0629 63378.1821 50852.1685 78722.6172 71851.0777 28136.6255 40677.9822 23189.2677 10124.8877 26082.3839 26857.5825 104117.1199 18133.9209 27539.7279 69337.7965 21003.6577 23842.2191 23651.4237 17713.8971 67139.2607 17720.2112 36035.2779 14056.2298 16518.2097 19146.6314 27657.3774 15576.1880 17283.3620 11714.9517 20116.4779 15333.0198 25317.4431 24773.5598 19683.5617 17735.1546 22107.8625 16391.9599 48379.7322 41471.9564 54993.5426 49303.9345 40949.0212 23994.4201 26328.4763 17958.1828 18646.8752 12613.2903 16877.3284 19268.9778 19647.3204 22966.9967 24509.4561 15516.3222 17368.3482 12010.5102 15096.1007 25509.2609 14850.5425 21005.4686 30639.1771 FA(20:2) 13C0 [+H] 89121.2703 325843.8330 43830.8562 23983.6311 35906.6554 35984.2749 18534.7915 23893.0994 18826.1087 25143.7765 15040.8817 22156.6515 16022.2775 35880.4716 17038.5437 20138.6628 19552.7678 35934.0932 28139.6672 49396.8963 60126.1981 47533.7553 75259.0846 31099.4099 32215.1997 22046.4795 43645.7671 30263.4796 37198.0808 29490.8924 13710.5601 24142.7212 27782.3853 13930.0774 31321.3753 19526.3061 22592.0755 13339.0966 32133.2792 26387.4438 40350.6141 22493.4020 25461.6633 19068.4202 19687.2811 25784.2275 56774.7122 31861.5894 51237.6644 71337.0061 33037.0333 35309.9760 20651.7044 33824.6880 30840.4968 13404.6640 15839.6636 23160.1375 26879.9640 23569.6952 19331.9797 18374.0134 63322.3470 25157.5059 57779.3379 70441.5917 FA(20:2) 13C0 [+NH4] 28048.4801 21109.1723 FA(20:3) 13C0 [+H] 32712.3689 17262.5640 15310.0615 23905.0671 28749.7675 14571.6821 16125.1123 FA(20:3) 13C0 [+NH4] 22266.1318 20777.4597 FA(21:0) 13C0 [+NH4] 87044.8602 FA(21:1) 13C0 [+NH4] 16932.5912 FA(21:2) 13C0 [+NH4] 36393.8813 43976.7450 23795.7127 26423.3354 46793.8010 62588.8005 56884.6444 44594.4417 35243.5862 45243.3633 57266.7770 37248.5853 FA(22:0) 13C0 [+NH4] 44154.9293 31300.3543 36884.7806 165145.7757 52892.5214 FA(22:0) 13C1 [+NH4] 13422.0005 FA(22:1) 13C0 [+NH4] 11925.1867 29491.5765 22923.6322 15744.8697 12080.9844 29917.0826 11324.7647 12030.8239 14712.0757 15070.5269 17334.9291 FA(22:2) 13C0 [+NH4] 89983.6953 50915.6864 53720.4441 58099.6531 44057.7982 124152.3934 136916.0083 117898.0517 282340.2232 43949.1953 61772.6526 79377.2991 18763.7869 34182.9534 29525.7469 17969.9046 24948.7235 30787.6025 52928.5649 30050.9477 22235.2547 17282.2017 26293.1032 24765.6312 15416.7156 107445.8986 59804.9230 121074.3916 153866.8078 87304.8084 58512.2013 63551.1956 61924.3119 225171.7055 84761.9006 120253.3610 37372.9851 150460.2504 86819.1610 48986.4855 57848.5274 23845.2595 21680.6219 29530.4289 27252.8404 25256.6419 68731.8033 15570.9467 14429.5808 70558.8867 34124.3302 37459.2093 24314.7115 19458.1903 25257.8672 34496.9225 57392.1518 38167.8215 80137.0513 15156.9313 34077.5984 73942.0494 84364.6414 56246.1230 56076.4465 52453.6572 85618.0880 44360.2653 43188.1265 47480.8231 41394.8876 32982.9318 42044.3299 13098.7929 25531.0555 14744.4535 15015.2033 22277.9021 22916.4323 18976.4028 20991.2673 60374.8302 19597.7184 59071.3292 69541.1402 FA(22:2) 13C1 [+NH4] 31215.3879 35647.8121 28217.0729 64376.5192 14246.3821 17755.7487 54840.7703 22081.1323 33521.9862 16841.0171 17843.5389 21089.5810 16758.0681 FA(22:3) 13C0 [+NH4] 140176.9892 41589.6939 75257.6301 85030.7519 54372.5690 102844.2319 231352.9789 19643.0650 145247.7357 93419.6178 31335.9623 69753.3518 83639.7328 34441.4816 51194.8138 41569.0207 23271.7230 15645.4882 35925.0235 77923.8024 48709.0349 31760.3906 24577.2463 12041.6782 26142.1291 24929.6248 11377.8804 15290.8017 180995.5939 78592.1093 169378.6846 204280.6180 144775.7971 59632.7493 82820.4927 56387.0975 175540.9613 44427.9774 98665.2471 61922.2846 58121.0377 140692.8563 45732.9888 110622.2045 31690.5686 30605.3053 40296.0611 28712.7216 32212.2093 55677.9911 15271.7547 13760.4611 86570.7372 39416.0817 39365.7468 39329.7239 33722.2927 21920.1112 39338.9945 37649.2003 37635.0759 51137.6875 13607.0597 23045.2259 84686.4251 101998.5402 74419.7837 46207.1091 55424.1183 118793.6484 61460.1162 61521.8128 45931.3256 66202.7477 28041.8521 31005.0765 57955.5915 20497.8513 31210.9220 16479.3797 21430.2508 17649.1892 27074.5913 27144.4856 46080.4569 48486.7932 14481.0305 44590.9908 46232.4723 FA(22:3) 13C1 [+NH4] 25574.4758 51937.2440 33285.2012 22271.2193 16697.4517 20507.4436 11836.6332 13208.6353 44035.4440 38102.5621 49416.3026 33579.7540 40819.7945 34096.8147 18527.6707 14616.4665 11104.5823 FA(22:4) 13C0 [+NH4] 22733.1782 12625.9073 FA(23:1) 13C0 [+H] 19567.8238 20300.4524 FA(23:2) 13C0 [+NH4] 102987.4053 134006.0819 62372.8833 72775.2886 FA(24:0) 13C0 [+K] 31845.9172 FA(24:0) 13C0 [+NH4] 35947.3577 FA(24:1) 13C0 [+H] 24908.2531 32349.6221 23854.1138 26649.5679 FA(24:1) 13C0 [+NH4] 40827.8949 39545.1191 16561.3705 FA(24:2) 13C0 [+NH4] 21130.6360 23813.3543 26083.7802 63175.4809 FA(25:1) 13C0 [+H] 18950.3468 19843.2346 41134.0504 44074.2412 37110.6166 FA(25:2) 13C0 [+NH4] 56629.7036 96347.1697 37152.4289 FA(26:0) 13C0 [+K] 21864.1804 FA(26:0) 13C0 [+NH4] 51877.7419 53676.9089 16652.6315 FA(26:1) 13C0 [+H] 17802.4870 34628.9291 41236.1697 29294.5012 30735.2004 FA(26:1) 13C0 [+NH4] 22660.6490 FA(26:2) 13C0 [+NH4] 24669.6102 44189.2712 FA(26:5) 13C0 [+H] 26860.1032 HexCer(30:0) 13C0 [+H] 59412.0790 37748.5575 30929.5698 52216.5940 25703.7848 46954.6430 135666.4155 55328.0430 28560.1404 235384.7196 166072.6113 72018.6688 HexCer(30:0) 13C1 [+H] 21344.1176 51760.0515 91523.7552 61783.2658 28485.7283 HexCer(30:2) 13C0 [+H] 39791.7078 43563.9958 60913.1454 60849.1771 36716.4515 42268.2176 58536.6168 25885.2524 29153.2969 HexCer(30:2) 13C0 [+K] 29727.8540 HexCer(32:0) 13C0 [+H] 65659.1392 44167.4623 39365.7186 38534.8143 115819.5563 50821.0692 169116.3097 114058.4063 54117.2750 HexCer(32:0) 13C1 [+H] 17224.7197 49571.5852 20842.7518 68973.0680 47092.4449 23015.9594 HexCer(32:1) 13C0 [+H] 33652.9122 37232.2266 24257.6484 24712.8534 HexCer(34:0) 13C0 [+H] 63519.3927 39509.0424 31120.2028 30687.0570 92299.7207 43738.1647 128704.7639 85002.9885 39620.4315 HexCer(34:0) 13C1 [+H] 42251.9825 54868.4163 35230.8966 HexCer(34:1) 13C0 [+H] 21743.5573 27310.6716 51549.0530 69104.1620 35538.5239 40112.9858 14870.4904 30450.7038 HexCer(34:1) 13C1 [+H] 29008.9058 HexCer(36:0) 13C0 [+H] 33581.3027 86236.8068 33194.3224 67387.8586 45509.2415 22634.0829 HexCer(36:0) 13C1 [+H] 39002.3747 35247.8788 21379.5590 HexCer(36:1) 13C0 [+H] 42223.8855 26488.7625 48342.1760 35627.3463 48682.7035 23942.2971 41141.8809 58985.7666 30150.0048 53678.2148 34889.3513 33395.0331 HexCer(36:1) 13C1 [+H] 27822.2705 HexCer(38:0) 13C0 [+H] 27363.8301 71257.6898 24319.7768 35138.5687 23317.1297 HexCer(38:0) 13C1 [+H] 32376.0021 HexCer(38:1) 13C0 [+H] 30249.0630 39260.5815 27917.8147 58776.4458 98993.9733 30315.1857 18758.4978 39921.8025 44524.8679 HexCer(38:1) 13C1 [+H] 44536.3909 HexCer(38:2) 13C0 [+NH4] 81886.6027 78423.7576 24015.6527 14657.0505 35476.0496 13437.4145 HexCer(38:2) 13C1 [+NH4] 39020.1410 HexCer(38:2) 13C2 [+NH4] 29787.2769 HexCer(38:4) 13C0 [+H] 26341.8643 HexCer(38:4) 13C0 [+NH4] 58861.8564 51434.2543 24660.7400 43426.9599 44701.5927 45049.3349 73845.1464 62588.5628 15691.7988 24524.0555 65680.9271 78127.3379 38187.7565 65790.7275 44408.2887 49645.9252 54648.7453 HexCer(38:4) 13C1 [+NH4] 22666.5517 31598.3915 28536.4508 HexCer(40:0) 13C0 [+H] 44959.2386 HexCer(40:1) 13C0 [+H] 21791.6975 34360.2707 34405.4085 46784.3697 19755.5016 15704.8299 28192.0850 43190.1950 HexCer(40:1) 13C1 [+H] 25756.0244 HexCer(40:4) 13C0 [+NH4] 25203.1002 39331.7462 31327.9456 HexCer(42:0) 13C0 [+H] 44820.1795 HexCer(42:1) 13C0 [+H] 25293.7567 LacCer(34:1) 13C0 [+H] 90322.0025 LacCer(36:0) 13C0 [+H] 20224.5346 LacCer(38:0) 13C0 [+H] 27658.6899 LacCer(40:2) 13C0 [+H] 126768.6000 LacCer(40:2) 13C1 [+H] 35701.7502 LacCer(42:2) 13C0 [+H] 54134.9090 LTB4-DMA 13C0 [+NH4] 26981.4823 279395.9554 69499.2695 50694.0100 60561.4653 14332.1743 77512.3405 180841.1506 31268.5196 20932.2755 LTB4-DMA 13C1 [+NH4] 60633.0465 17162.8728 14633.5502 40381.7521 LTB4-ETA 13C0 [+H] 35627.8527 23661.3254 49784.2172 32287.8997 44869.9575 46977.3518 33823.6959 29291.3751 LTB4-ETA 13C0 [+NH4] 50947.0328 36070.9251 27246.8474 91590.9000 60470.1277 71062.4782 43962.3544 21762.2660 30441.0829 45440.2117 63882.3155 56907.0543 LTB4-ETA 13C1 [+NH4] 20837.5369 17095.2086 15217.0434 LysoPA(20:0) 13C0 [+K] 137449.8643 LysoPA(20:1) 13C0 [+NH4] 106822.7064 46459.6957 55611.1663 45077.0668 40365.2017 243136.5107 20455.0296 138297.1972 103536.7253 63949.9396 41658.4921 112011.9989 29351.3060 14391.3983 87356.6774 32151.4587 66914.8248 43049.1303 26627.1018 LysoPA(20:1) 13C1 [+NH4] 58257.6916 36791.2127 LysoPA(20:3) 13C0 [+NH4] 50128.9080 LysoPA(22:1) 13C0 [+NH4] 145319.0213 LysoPA(24:0) 13C0 [+K] 500591.0449 1024248.3980 228510.8001 222088.0098 208770.9953 62751.7729 36458.0884 29530.2708 28311.0075 45512.1614 41069.7833 23270.7640 30518.3743 24239.0357 41881.3637 16877.0844 85590.3114 18959.3119 32710.7549 48036.9418 25738.8507 31573.9124 27735.5253 40717.8243 53596.5784 48695.3498 170723.4221 432461.1254 247119.4086 361183.3180 130988.5514 237767.7333 216463.3763 101242.8157 28184.7674 30540.2846 31583.0573 66242.5838 41543.5192 26288.9491 45788.8874 33688.5922 27406.8612 34866.2387 36271.4091 44926.2328 29804.8594 24839.8067 44224.7089 34139.5603 25265.6191 25160.4866 15349.2200 43445.4583 32562.2977 49557.1717 32986.9827 37674.0864 42394.3153 45557.1731 48812.5053 462897.4746 160298.0863 261259.7750 439794.1255 284283.7945 52655.0240 24522.6245 30658.6257 25723.8048 55292.6280 21306.2594 16337.5742 46059.5077 30765.6027 21938.3543 28315.6115 26431.7032 59381.2332 35456.7722 88235.1163 83052.3950 LysoPA(24:0) 13C1 [+K] 56181.9404 97238.9377 46633.2676 47428.2272 LysoPA(24:1) 13C0 [+K] 103524.9158 41679.1350 LysoPA(26:0) 13C0 [+K] 86566.9731 LysoPC(14:0) 13C0 [+H] 38775.5594 65013.4429 LysoPC(16:0) 13C0 [+H] 2047730.1470 38589.5088 1584209.4780 1829620.0630 557100.3364 62796.5049 692494.8271 33354.2467 406424.3160 53381.9520 169774.5385 89137.7902 96909.4030 81375.0243 55647.9319 87383.2309 91095.7769 79104.2516 80900.9137 84144.1378 74862.6510 75752.0293 50428.0064 143705.4883 260669.8475 511447.3474 18132.0874 33836.9361 540185.0721 44282.4820 317090.6065 542523.9893 1019773.1200 1403165.7450 8972739.3810 455642.6440 41537.1316 132860.5548 100970.6581 216009.3907 821524.2107 271163.6470 418336.3895 406258.6522 79948.1262 955041.5387 84434.8332 189334.7698 61810.7245 127175.6139 150230.0513 122589.7468 92596.7456 85398.6492 71260.7064 38560.0114 157002.5542 160988.6909 70736.2863 108085.9702 29431.6716 83217.9492 445410.4838 280587.4235 36266.1252 134712.3917 19137.0371 50401.6803 527699.4941 2083117.9290 784271.6993 1169482.6350 87005.8329 227709.7663 937246.5021 158616.3454 364560.1426 63789.2644 79508.0331 138217.6145 94828.1619 191462.2794 99729.8818 18448.3332 28129.3965 123624.8243 100729.4664 29221.8735 369476.3320 63874.4669 133166.9217 209298.8083 LysoPC(16:0) 13C0 [+Na] 190922.5150 145705.7356 163513.6962 53198.2512 67775.5323 45636.6495 19007.1663 10692.6871 14378.5810 16830.4215 43383.0467 52493.3944 35283.2416 58599.4431 85019.3662 141637.9600 899044.1283 45868.2205 23609.1525 34931.5957 38427.2859 51258.9209 119842.9830 14443.5301 14293.0472 17220.2968 15585.5894 31007.3578 18145.5467 15697.7456 53488.0877 196337.3980 67714.1402 100903.1963 29696.3355 126944.2597 19336.2319 38915.2061 13647.3504 20800.0545 12868.9047 10823.0369 26150.1374 16544.0919 LysoPC(16:0) 13C1 [+H] 498883.7620 387595.4801 454130.6938 137893.5615 166693.3541 102208.0309 43305.3517 22472.2347 22302.9521 20265.4208 14991.3412 22717.6560 22640.2584 19167.0419 19200.5508 22357.5030 18356.3614 19424.9234 14379.9420 36244.7127 65992.6222 126443.9270 130144.8056 79146.9707 135430.9699 246472.6221 351912.0449 2245566.5490 110621.0785 33227.1441 55751.3093 199162.2315 67805.2675 105516.9092 103373.6691 20195.7467 240055.5696 20544.4812 47991.4204 15651.8343 30089.2624 36514.3938 30873.0998 23357.7956 20970.8193 17813.4911 40001.3839 41040.6083 17060.2124 26174.9527 20924.8082 111809.7392 71062.9286 32813.9034 135984.1688 510153.6097 190692.1685 285215.1402 23718.7664 56217.1527 233950.3277 39844.4037 91607.4214 16392.0518 19624.9018 34296.4527 24646.9932 48702.0771 25010.6859 31474.5897 24446.4581 93871.0335 16101.3532 32333.2419 53080.8096 LysoPC(16:0) 13C1 [+Na] 55185.4457 44717.3812 44239.0639 220399.7628 55370.0204 31224.5703 LysoPC(16:0) 13C2 [+H] 56727.0882 46324.1483 49392.9086 28792.7791 47553.3693 251962.5512 58637.4327 37555.9643 LysoPC(16:1) 13C0 [+H] 70350.2912 70111.9767 45481.9618 20142.0107 24285.2686 31564.7371 28584.0038 53634.6775 228501.3103 61107.4678 29551.5839 17356.4359 LysoPC(16:1) 13C1 [+H] 59870.0670 LysoPC(18:0) 13C0 [+H] 844061.0983 488270.1671 510651.9771 151313.7425 25558.8739 315752.5673 18656.1267 149672.1010 75104.3821 35611.2731 35685.7078 31669.4594 23097.3593 36782.7722 39420.1396 22515.9514 26527.6902 36598.8769 23671.2593 37412.0420 16097.7889 41797.3447 68245.8253 107994.7556 14421.5119 220971.0582 103245.3140 210526.6061 412284.4265 462649.5783 2409482.2250 117742.7763 16742.0163 50003.0174 44761.4495 72363.6585 207800.4132 43211.6436 134476.9824 113693.2009 25835.7484 335162.1268 24271.2465 38781.6770 25289.9740 47012.1949 56617.5478 45134.1651 51143.0338 33691.3336 22980.8356 15042.5429 56281.8079 45029.4177 22371.4246 34521.5107 12514.1856 33681.3988 124540.6083 78383.2215 11073.7902 55628.1465 201147.6250 758665.0918 262599.1187 432400.6661 29130.8426 84076.4655 298955.1286 54121.8140 209966.9581 23234.4062 28956.7535 48735.2674 44585.8036 68442.3608 49462.9629 12154.8119 42661.9754 30097.9248 98444.8364 20928.9683 31481.6116 69788.3089 LysoPC(18:0) 13C0 [+Na] 74879.7854 40544.5073 31592.3500 186998.3390 44516.6966 69370.0558 39238.3367 LysoPC(18:0) 13C1 [+H] 230932.9429 137227.6785 144954.2805 45574.7685 88420.9383 46546.1986 24367.3304 14119.8141 19167.3962 17432.3873 11845.0950 21676.6048 18131.5325 28225.0748 41697.5115 62403.0660 58116.7690 117252.9683 134836.9333 653903.2080 37023.4037 24684.1799 45318.4479 37617.5783 99472.4676 16602.6168 18382.3209 21819.4072 23147.3004 18411.0397 19852.4174 16769.4297 15484.4546 24479.0389 17721.5200 12808.6041 16544.4197 19541.4859 44401.7443 30534.2641 23129.1088 56174.3157 215527.0706 74051.7673 126770.1406 89515.7434 20546.1018 60911.8420 14686.0229 18984.4345 22173.8777 20513.4981 21370.9732 18717.1883 13868.4203 36131.2289 12711.4702 16791.7333 28439.1582 LysoPC(18:0) 13C1 [+Na] 58720.5383 LysoPC(18:0) 13C2 [+H] 79433.5951 LysoPC(18:1) 13C0 [+H] 431203.2152 422880.0261 373568.0341 144969.0382 143109.8846 122461.8648 35928.9264 23883.5749 22332.6381 19999.1403 19582.5873 31525.1412 20852.2195 23588.2338 21365.4943 21809.2282 16602.4121 16737.4835 11326.6165 27012.7876 45652.6615 144981.7330 136357.5525 87168.1772 180344.8403 249822.2561 329956.3495 1759876.2600 76087.5093 32027.4054 31534.6127 40619.8031 161929.0605 56180.3236 91281.5753 69565.2499 24760.4934 155978.3156 25264.9436 44073.9428 27505.8399 49897.3129 27238.4855 20512.1988 20507.2800 18706.9233 45977.8067 33519.0132 13795.7598 29178.1886 23485.0201 111205.7784 51886.0433 31399.4835 140946.3611 418812.4621 177697.4919 214370.8474 49648.0424 226656.8599 44448.2384 47853.5373 15923.3795 21049.8084 41714.4585 18996.3000 45361.0934 27645.1918 32501.2425 22450.1762 80956.6615 14860.7318 23846.8963 41924.4495 LysoPC(18:1) 13C0 [+Na] 93257.7057 LysoPC(18:1) 13C1 [+H] 115509.9863 115216.4630 102670.4515 36372.2369 39618.7908 32488.5556 14004.1910 43481.3049 65155.4112 85664.9362 474025.2215 22932.6266 25816.7712 41946.2645 13374.5823 14457.3892 33090.4322 18194.8775 39157.0265 114136.0668 50021.9062 58445.7533 63417.4158 11336.4933 11556.4196 23896.6848 LysoPC(18:1) 13C2 [+H] 59462.4141 LysoPC(18:2) 13C0 [+H] 703879.7897 802635.3372 875764.4854 156915.4130 21234.9744 283979.6948 186535.7968 30998.4585 59472.8414 34296.3171 68561.8974 33015.7469 33317.8525 81635.0117 34963.9868 19220.1250 48744.4690 38688.0892 31180.0471 29432.4142 12711.4181 52128.0473 78222.3623 199016.0641 19402.6809 313160.6389 146026.3249 260496.1845 396627.4522 860871.3899 2989752.0150 141270.5074 25149.9511 80417.0811 60019.8559 30162.5315 199273.9236 66684.4780 179110.7507 128437.4717 54583.9789 210113.0801 52810.7812 66730.5195 18989.3529 41324.7958 162459.4407 53036.8837 23639.0144 46059.5429 36286.3459 16818.4412 84798.2905 53865.8380 26958.4615 65274.1686 13707.4197 42726.3516 119472.5310 109662.5143 16933.0398 53778.3271 328588.2624 719010.6170 376262.2755 473701.5729 104077.8888 442917.9851 89646.2135 36675.1118 40427.5438 26181.3704 103329.6836 40173.3605 66353.8762 68291.3552 15438.2712 66127.2672 37634.1743 16399.6444 124233.0949 23778.6917 36074.4668 67513.8829 LysoPC(18:2) 13C0 [+Na] 70956.0518 73090.6221 75963.6510 25255.2921 34366.7842 80361.4599 283686.0488 14636.8652 34743.9346 72700.2851 41459.6562 58844.4342 11035.5061 LysoPC(18:2) 13C1 [+H] 191189.0130 215588.0139 237674.3339 41901.4805 74650.2644 52214.8868 16993.9623 20004.0078 21112.0524 10629.4777 12799.1027 14498.4438 20630.7829 54197.0977 86387.5273 40317.7475 70298.3101 108221.5369 241196.6084 806034.2434 38420.6594 23735.2798 18789.4720 46777.7635 35717.4756 56268.5645 14296.6642 18113.7820 43613.5678 12711.0683 22294.9361 14784.3525 17519.5079 33059.7229 27973.0547 15364.4287 88800.0037 203787.3783 100205.7275 126907.3638 27693.2695 123021.6661 26090.4575 27888.8944 17961.8755 18332.5880 17247.7942 11406.8984 33525.0997 18359.3908 LysoPC(18:2) 13C1 [+Na] 78226.2481 LysoPC(18:2) 13C2 [+H] 95954.0305 LysoPC(20:3) 13C0 [+H] 52911.8799 50971.7671 43180.2806 24059.3808 30216.0540 56422.0848 136447.4356 LysoPC(20:4) 13C0 [+H] 137926.0946 86819.8457 139051.1955 31718.2900 44786.9381 29899.3760 10890.7139 15891.8643 52293.5541 62332.9943 70192.4354 106767.9993 818574.3501 26140.6599 39176.1000 26532.6187 78851.9900 16242.1639 15657.4641 13607.1935 15687.2964 31269.5066 18314.4531 31629.1200 154224.8713 69050.7061 110537.7518 11871.3426 10146.2510 12795.6052 32673.1309 LysoPC(20:4) 13C0 [+Na] 82989.5724 LysoPC(20:4) 13C1 [+H] 48940.8355 47011.6547 248124.1286 35405.9581 LysoPC(22:1) 13C0 [+Na] 51170.4504 47755.8923 35184.6669 51605.7532 84085.5709 LysoPC(22:5) 13C0 [+H] 61734.1319 LysoPC(22:5) 13C1 [+H] 76066.1571 LysoPC(22:6) 13C0 [+H] 122833.6364 LysoPC(22:6) 13C1 [+H] 87992.3955 LysoPC(24:3) 13C0 [+K] 104327.0203 17188.9280 24084.4150 LysoPC(24:3) 13C1 [+K] 29224.0658 LysoPC(26:0) 13C0 [+H] 21721.4922 27092.0998 22630.6133 13946.4646 LysoPC-pmg(12:1) 13C0 [+H] 81980.3298 56226.9408 44646.2901 40394.6561 56551.0680 244251.9698 91267.3455 46510.0218 107462.1015 163342.4125 63300.9125 63792.6430 13639.4491 51126.1798 33716.9258 18642.4943 13349.7062 326382.5407 26632.7177 67531.0245 15343.9141 50667.9983 173291.2692 11039.7731 63424.2654 114298.3894 75815.8714 169038.5252 329492.7252 32182.5201 50817.8771 64256.2875 70917.4115 30852.3682 244998.8062 32323.5215 108995.1054 22468.1620 75928.2970 89541.8744 104106.9050 19614.7492 235485.0378 43137.8629 43405.5023 65055.9440 96703.3954 35718.6968 70542.8508 12900.3733 41961.7115 13756.6176 70861.6423 216021.0193 163184.2798 45581.4798 97774.9771 229488.9741 66098.9771 71653.2407 39035.9008 153790.5529 48288.2988 15910.9207 43719.6422 37781.0690 134159.0967 18072.6198 73422.7101 18505.3018 53559.2194 22436.1453 39489.1361 69550.3086 LysoPC-pmg(12:1) 13C1 [+H] 53932.8846 26482.0486 39244.8727 74283.3571 39320.1379 14608.6910 41910.0688 74282.2039 56388.7671 20883.5076 23549.4334 52891.9183 15873.5858 23440.4986 17892.7682 16684.0889 49527.8398 37799.2381 55953.5336 31685.0619 16472.5522 17023.0354 LysoPC-pmg(16:0) 13C0 [+H] 59159.8422 LysoPC-pmg(16:1) 13C0 [+H] 51788.2099 LysoPE(10:0) 13C0 [+NH4] 50488.4206 56188.7033 31781.2936 52236.8744 28778.5846 LysoPE(14:0) 13C0 [+NH4] 33718.7377 LysoPE(16:1) 13C0 [+H] 101508.7190 25172.8440 20839.7880 23363.0565 13863.7627 21185.9349 20535.6950 24451.3391 16107.3035 28020.0710 25028.2895 49330.8075 30924.2879 57152.5902 25880.3090 18993.7308 25860.5197 18212.0589 22189.6695 20109.2264 18065.3673 27523.3053 18859.0346 22558.5927 24086.3163 45426.7316 36510.1985 22827.3726 54416.3831 17922.7863 18115.0268 24263.6442 15521.1934 36719.2835 16563.2416 43234.1200 40531.4160 LysoPE(16:1) 13C0 [+Na] 162064.6155 LysoPE(16:1) 13C2 [+H] 29550.3221 LysoPE(20:4) 13C0 [+NH4] 156115.0374 141509.3051 149578.5130 54206.4864 33161.1181 34011.3516 92140.5269 59105.9289 44017.3609 122797.4199 53913.0284 67388.6954 35411.4729 183915.3226 193211.1378 29402.9420 19007.6588 45470.3377 129433.6373 195877.9381 82197.8446 66572.3941 176000.1974 99745.9181 111404.1698 94651.1955 LysoPE(20:4) 13C1 [+NH4] 33067.8089 LysoPE(22:4) 13C0 [+NH4] 50750.2853 54370.3018 37172.0758 27483.7979 48160.6750 42257.3906 47058.1109 53782.8417 61883.6727 15584.4852 27356.0339 59530.3647 74839.6984 36918.8720 57582.0444 48348.5995 55919.1886 41411.1491 LysoPE-pmg(14:2) 13C0 [+H] 16385.0799 14749.7119 18181.5824 33616.9833 14278.8331 19975.1188 25406.4712 26104.4027 LysoPG(18:3) 13C0 [+H] 13068.4586 13807.3981 LysoPG(26:4) 13C0 [+H] 60729.9153 LysoPS(14:2) 13C0 [+H] 10312.7273 LysoPS(18:0) 13C0 [+NH4] 56486.1913 LysoPS(22:2) 13C0 [+NH4] 40362.6676 LysoPS(24:5) 13C0 [+NH4] 55978.8828 177452.8923 202910.7185 260760.6345 105238.4184 46238.7409 85142.0214 171718.6118 152137.1606 16974.0331 15655.2986 58401.5159 150298.4750 72158.9399 104694.8418 74640.2566 300155.3253 323822.6290 36956.7413 48681.0531 90512.9119 241616.3259 242962.4080 118507.8326 97610.6239 291942.2338 204007.6925 194448.2519 187696.3975 13920.4535 LysoPS(24:5) 13C1 [+NH4] 63919.1206 82955.7823 37849.3964 28243.1257 55106.0881 46990.0815 52344.6122 28515.5973 96993.3286 103874.7255 16415.4920 29813.0026 84078.1205 75114.7604 41529.0401 95478.0663 64178.9571 66381.8679 63024.0772 LysoPS(26:2) 13C0 [+NH4] 99631.0509 48814.0371 44952.9298 44464.6488 256853.0725 24437.0765 143470.2741 93802.8656 80719.1759 43440.6947 27612.7577 15870.2869 73350.1130 32924.0456 63793.7821 42503.9917 34116.8023 LysoPS(26:2) 13C1 [+NH4] 84462.1733 48780.8898 25222.1445 LysoPS(26:6) 13C0 [+NH4] 11807.0775 MAG(10:1) 13C0 [+H] 11363.2240 21479.2276 MAG(12:1) 13C0 [+H] 17473.7097 MAG(12:1) 13C0 [+NH4] 23144.1918 MAG(14:0) 13C0 [+NH4] 541977.5529 164479.6898 MAG(14:0) 13C1 [+NH4] 105614.8476 MAG(14:1) 13C0 [+NH4] 292911.3389 107008.7142 MAG(14:2) 13C0 [+K] 21097.7276 16498.6167 14447.7359 15319.5784 MAG(14:2) 13C0 [+NH4] 113224.0063 19272.0349 50142.4432 MAG(16:0) 13C0 [+Na] 52349.9706 65635.5410 43274.4123 25451.7837 23985.7633 42532.7966 28977.7682 14573.1231 14789.3512 15328.5639 11822.4934 14457.5875 10457.5653 20267.5561 15768.2566 30736.9286 16068.2577 18669.0615 78846.9425 44620.9577 68223.5553 57149.3432 57830.5266 49774.3477 18111.2149 33676.7875 43741.9555 17085.2631 20298.0997 12647.1142 12682.5063 13043.7801 15353.0078 14358.9626 13417.0911 17418.6666 21069.9863 12028.7569 13964.1416 16160.4426 19507.0905 28439.0176 70767.3751 58707.3077 53715.1552 42082.5215 26514.6789 22644.8525 23481.8592 10645.3732 12897.2150 15357.0091 12369.8389 16315.4088 15462.3271 22070.5376 18887.9670 18536.2925 14846.0411 10384.2434 13447.4505 12766.1860 27277.9836 MAG(16:0) 13C0 [+NH4] 325396.0545 11481.2468 98356.9900 15452.1442 14623.3381 15085.6154 9140.7544 15065.7595 22048.4944 MAG(16:1) 13C0 [+NH4] 80868.3624 594285.4548 44806.5788 23398.8083 25462.4415 25137.0394 48435.0089 27295.0211 24271.2008 18555.2564 23972.4307 23058.6127 19498.3843 26094.2983 14666.2663 16157.6094 17773.6502 17076.3045 33189.4279 15450.7319 28106.7948 35556.6429 20562.2813 24273.2879 65156.4251 170106.4584 100204.9750 82044.2235 24593.4868 48198.1596 31167.7462 14257.3872 23927.1935 37963.7041 30696.0919 40920.4366 49607.3522 22739.2888 45864.6565 33010.0410 24958.0552 18522.7762 26262.9871 27346.2229 22733.3351 21747.9148 26921.0883 20607.3123 22827.6590 13534.6470 19339.4388 21398.8192 38969.2988 40440.1164 20252.6538 19298.3710 22363.3714 20602.3917 49432.8041 43506.0542 67860.3319 54935.6950 46890.1174 40534.6408 23564.5856 34392.3930 42442.2559 18833.8639 14180.2303 15007.7931 29291.3804 30627.1182 24016.9481 20836.2306 20269.3400 22600.9392 12752.5734 22445.0693 37182.8420 17807.3254 34189.3780 42581.2319 MAG(16:1) 13C1 [+NH4] 115942.4598 MAG(16:2) 13C0 [+NH4] 134887.1672 14465.0660 55414.5464 15783.7437 MAG(16:3) 13C0 [+H] 18850.5288 MAG(16:3) 13C0 [+Na] 18529.6266 MAG(16:3) 13C0 [+NH4] 26226.3040 14589.1810 18643.9446 23427.9406 58912.3351 51128.4101 78146.2333 28273.4189 42178.8731 45706.3083 20996.0480 22358.4177 44232.3185 74221.1217 46005.7853 32447.1406 19104.5909 17267.1801 23856.9480 MAG(18:0) 13C0 [+H] 13985.9412 11367.6852 13924.2153 17530.3567 13438.8080 15835.4278 20053.9068 23128.8894 19295.6371 MAG(18:0) 13C0 [+K] 12089.8460 22543.8357 MAG(18:0) 13C0 [+Na] 104935.4232 113046.3543 50273.8924 33862.7192 27325.8033 58152.4036 56108.0052 25431.1335 23588.2278 18361.6580 19858.5396 25154.0105 21691.2209 25521.0056 19761.0829 21294.3360 15863.3218 23454.1062 24875.4519 41481.1757 24137.2974 19236.8190 24726.8261 32489.7371 22101.2597 123754.5229 85269.5625 144617.8880 102561.6470 33008.2963 56150.2812 54627.0890 27010.1133 34624.0571 50458.1889 97375.6640 20852.8845 20915.2654 26191.2927 28270.6005 20102.6194 26777.0377 18641.0581 14629.6124 28118.4823 23927.3744 21181.9146 22965.3138 29721.9450 28896.8739 29838.2803 48761.9394 28271.3715 21099.3703 16599.7036 28755.9325 22585.1116 22071.7512 107335.9466 85196.3940 52501.2727 65289.0629 47901.2007 49347.0843 46384.9146 28342.1389 32235.3720 33923.8811 20089.0889 19314.3715 22459.6771 20043.2233 29456.0570 21631.5890 28288.2122 29657.9603 87266.6053 89123.5495 19946.7361 16929.1991 23381.7396 23898.4748 43394.9696 MAG(18:0) 13C0 [+NH4] 45179.1954 95220.2658 16110.3153 11995.1436 20488.1116 12571.4746 13395.3310 38854.1102 39292.8022 41541.0910 53392.1275 12303.1749 13065.0884 12369.0049 16343.8454 20535.6700 16721.7973 11737.3118 13317.6795 15273.9917 12018.6422 10289.8894 17378.5164 9971.8566 23627.9246 25174.8479 11114.5270 13942.5314 26568.0926 MAG(18:0) 13C1 [+Na] 18888.7434 18126.5044 MAG(18:1) 13C0 [+H] 13658.9724 53554.7207 13502.2019 17183.3845 MAG(18:1) 13C0 [+K] 52243.9583 19981.8052 29674.4180 34362.9488 42782.7484 43389.6636 MAG(18:1) 13C0 [+Na] 19680.0314 39776.3276 14165.9184 11607.9541 10859.8720 110685.8841 101702.9355 12353.5543 11549.1684 29564.2291 10546.7786 36094.4315 28599.1696 23919.7052 12009.4513 MAG(18:1) 13C0 [+NH4] 55523.6678 246232.0236 14356.1489 14974.9629 10453.5119 12979.8810 20550.7897 18675.2677 12349.0755 13690.0457 21934.3104 14660.7793 16814.3989 61682.4946 88654.7775 53518.6723 63455.3415 114500.6881 67624.1396 20021.5319 14880.4494 16112.5614 13526.8752 17511.0527 18285.2986 17154.8149 14655.4287 11132.8311 17316.6994 13987.9549 32384.8433 103357.8454 15604.4947 25235.6759 18805.2100 45069.9971 50276.3031 44971.2227 12693.4967 16168.9736 15095.0177 18278.1402 24386.5102 14218.6480 21810.8828 13503.7584 23790.6704 51625.0384 MAG(18:1) 13C1 [+NH4] 22357.5102 MAG(18:2) 13C0 [+Na] 17388.6765 30724.3297 136023.3020 17839.6201 32988.1668 21742.4116 MAG(18:2) 13C0 [+NH4] 123914.9340 13620.0385 55104.7738 46915.8419 39177.9633 113506.3812 18163.5576 17130.8835 MAG(18:3) 13C0 [+NH4] 57240.5740 25523.7469 24533.1497 40489.5083 25431.2660 35699.7087 38067.3881 22843.4746 25157.7836 26302.9398 20586.2840 21790.6465 18765.3195 13698.6819 16090.6275 14050.4014 22007.8388 15274.7530 23151.7582 21118.2332 14058.8863 27184.9002 25108.9006 15684.4485 17173.4668 64660.4158 47999.9651 64952.5699 51894.9173 30023.6372 27077.3914 32150.9729 37094.9488 37406.9967 47932.0994 34887.0805 62097.6325 20804.7156 19835.4523 20114.3670 20028.3793 17210.8657 17877.8211 12600.2432 15114.5918 19145.3997 32458.1784 23835.6446 14104.9940 10670.9203 13861.0123 13284.6573 20033.3830 23793.9444 16378.3009 16213.8670 20431.5324 14209.4869 41827.1142 40494.7629 32982.6799 47235.0745 21236.4328 34712.3842 68469.1927 20454.9097 22081.6838 13156.8779 21428.8992 16098.1038 19320.7551 24483.0173 21841.3741 16678.8543 11559.4007 21253.2963 16027.6021 18925.0599 25080.1653 MAG(20:1) 13C0 [+H] 23163.6112 MAG(20:1) 13C0 [+NH4] 51321.5110 103500.7462 23111.2755 38360.9114 19023.8488 31534.3264 20664.4001 19516.3483 15421.6763 19379.1362 12873.1576 13229.6524 10715.0910 15902.0084 17630.6525 38747.3568 26491.0103 15282.5411 29467.0205 14341.1322 16252.3360 50907.3468 42370.6185 65065.6572 75590.9854 33739.5369 77010.9276 775121.4775 26094.4181 20604.5978 125962.8410 19349.9374 21299.5967 52691.0915 64405.8117 25428.5593 16502.4636 23509.7121 18532.4886 11579.0039 12836.4986 28206.6661 15143.8520 16601.1407 17704.9520 1328829.0600 27748.5426 15544.4651 12659.0572 39512.2181 59955.4855 39271.9428 33960.3630 18033.6603 39601.6058 17084.6100 18241.5628 26253.0020 13419.0299 35073.7608 98211.3396 13223.6540 15861.9189 10115.8112 14127.8152 211143.9733 MAG(20:1) 13C1 [+NH4] 182244.7491 307042.4846 49196.6569 MAG(20:1) 13C2 [+NH4] 33004.3629 MAG(20:2) 13C0 [+NH4] 120877.5150 39822.6033 40580.7673 55149.7923 35219.0376 54752.2731 60106.4156 52898.9263 27915.3309 33843.4864 36762.7150 54442.2804 39739.2084 38473.1056 19812.1280 MAG(20:3) 13C0 [+NH4] 41182.9132 45763.2696 20151.8701 24573.9961 71324.9720 60570.3218 32213.4575 21364.9509 53114.1234 60973.2933 43799.4270 MAG(20:5) 13C0 [+Na] 25684.1964 39039.3505 34280.8167 52238.2628 57353.3539 65619.2469 228602.9321 398175.3903 95327.3072 68137.3206 77342.2094 16178.7847 874715.9131 35851.3578 202424.1450 81021.7368 67996.3533 16951.3060 14469.1871 MAG(20:5) 13C1 [+Na] 23189.5675 50294.2956 63865.9138 82246.8097 21074.0551 24070.0421 13291.9199 184496.1776 43834.0151 24167.7831 27036.6479 24790.7594 MAG(22:1) 13C0 [+H] 28750.4749 26200.8061 MAG(22:1) 13C0 [+NH4] 15330.8120 14907.2879 37017.4025 24798.8115 28916.8375 10786.1885 12265.8113 48216.9246 32704.3964 110405.8575 726846.9225 119298.8699 36217.5798 22612.0474 13195.1945 27992.1168 17327.5351 24671.0182 19431.3695 986346.6853 25528.0340 11006.2562 15252.1126 19128.4471 41167.3574 208619.2600 200875.4644 MAG(22:1) 13C1 [+NH4] 190808.2534 253357.5022 56728.0234 52989.2869 MAG(22:1) 13C2 [+NH4] 31398.0942 MAG(22:2) 13C0 [+NH4] 32333.8135 42645.3473 295197.7143 19645.8813 223907.2961 68764.5930 45886.4213 MAG(22:2) 13C1 [+NH4] 57968.5257 MAG(22:3) 13C0 [+NH4] 24037.7659 MAG(22:5) 13C0 [+NH4] 26571.6867 MAG(24:1) 13C0 [+H] 33144.0830 38530.3596 MAG(24:1) 13C0 [+NH4] 16562.8607 33975.7443 20645.3860 MAG(24:2) 13C0 [+NH4] 194941.2443 85053.9811 57952.6500 23222.8951 48868.7534 28867.2155 42127.8938 69056.1808 37364.1596 56001.5268 25273.9927 121011.6624 79331.2964 31256.1766 11515.5382 26934.6335 50483.8223 93293.4616 41463.8861 97763.8662 55135.1086 39394.0135 43914.5034 MAG(24:2) 13C3 [+NH4] 95636.2807 MAG(24:3) 13C0 [+NH4] 45104.8898 22646.5727 MAG(24:4) 13C0 [+H] 209383.8906 38881.3762 46123.8547 68369.9234 41444.7241 39491.0338 27640.3952 MAG(24:4) 13C0 [+Na] 48926.0268 82711.6926 24379.2740 62138.3411 MAG(24:4) 13C0 [+NH4] 48156.0242 59069.7639 41957.6156 MAG(24:4) 13C1 [+Na] 30240.2654 33871.9643 17954.2359 37230.9256 MAG(24:4) 13C1 [+NH4] 16203.1360 MAG(24:5) 13C0 [+H] 103349.8637 54767.2426 55550.5178 53154.4368 37130.4504 34897.4083 65812.0694 37047.1168 54028.5097 42975.3984 38564.3555 34803.5572 36867.2985 32862.4295 29221.7775 34535.5200 28097.3348 25249.3139 22567.0017 33145.6456 32682.1905 46127.2065 39604.4801 32571.2928 35598.6586 38405.1092 29685.0500 27873.3734 110740.4657 64417.6892 99745.0425 106724.1679 52269.1768 70521.0855 62244.1005 125708.1105 22626.1860 56625.5653 42236.5376 40767.9059 110692.5534 43440.7217 53262.6356 70592.4205 39296.4875 56558.0341 39533.2305 33064.6134 27906.3510 40633.4148 31777.8537 23153.2547 23989.3917 32416.8445 37668.7676 42285.6503 38695.8006 34420.7567 28501.6543 29353.6830 26008.8415 36024.9570 34704.8682 30897.9251 33593.4849 29448.6905 21011.3791 60190.8693 61382.1437 77238.5981 73548.5018 57577.6194 35183.5379 36995.1568 58682.3524 29408.5700 39199.8077 57848.6179 34969.6301 29613.7745 25935.1456 36997.6823 18033.8397 31751.8786 59304.1546 49490.4795 35756.9596 36528.8997 29075.1434 22862.7186 34527.3925 26627.6184 28327.3370 38228.8482 MAG(24:5) 13C0 [+Na] 16585.7958 17887.3864 16754.4634 15369.3744 10927.0987 17238.9958 21050.1264 20617.6064 15132.5143 20728.0959 20645.2008 15655.1693 35014.9513 20605.6396 16005.7557 15985.4000 17299.8493 18692.7312 21658.3627 16860.2904 15621.8161 15410.9471 13643.8362 19081.3746 25149.2385 19275.5691 25056.2363 18502.5758 25955.2825 14852.0337 14758.6526 18560.6341 11964.7866 17467.1350 31823.7679 21274.7476 16451.6507 17564.8529 12770.5451 14698.7368 17186.3379 15254.7915 17573.2675 20582.8123 MAG(24:5) 13C1 [+H] 12966.0794 14337.0315 10633.9552 17576.1899 9814.8171 MAG(24:5) 13C1 [+Na] 13240.3427 15959.1684 13621.5879 13990.9257 13167.6796 11840.6400 14733.6390 11680.9988 13272.2908 11668.7666 17495.4854 14038.2705 11473.9028 16522.1497 15342.4070 10453.9445 15590.0357 19276.2001 MAG(26:1) 13C0 [+H] 29003.0668 MAG(26:1) 13C0 [+NH4] 38962.3592 28304.7762 26656.5528 140261.5367 41004.1039 34371.7024 31216.6274 MAG(26:2) 13C0 [+NH4] 95747.2636 125409.5060 104202.5666 48565.8127 26480.1399 38168.4407 80110.9079 53259.1726 11048.5431 43797.1154 77625.7297 39800.3110 59110.1522 38925.9368 212276.8145 139200.3670 26527.3006 19813.6706 42073.3928 97273.5392 127850.3829 59538.5953 161752.8711 78795.0439 74137.7210 88202.4065 MAG(26:2) 13C1 [+NH4] 39386.3598 18698.8123 64523.1040 29789.4126 42434.5512 51908.8642 26816.2771 28416.2614 MAG(26:3) 13C0 [+NH4] 42182.0375 37749.3301 MAG(26:5) 13C0 [+H] 9933.2873 10358.5096 16335.2027 13056.0894 10972.9581 40936.2131 36386.0266 19538.0908 13091.4897 11848.9251 13374.3691 16647.6981 10082.6230 12700.0622 11666.5981 17986.5403 11018.1424 31465.8040 13433.1664 9987.6042 MAG(26:5) 13C0 [+NH4] 13788.9615 PA(44:0) 13C0 [+H] 50391.6255 26102.2750 16368.7345 PA(44:1) 13C0 [+H] 21314.8362 17366.2490 20920.8077 PA(44:2) 13C0 [+H] 19390.7836 PA(44:7) 13C0 [+H] 105140.2535 26159.5111 16041.2162 10213.4533 18083.0812 12230.2249 13847.6722 12978.4863 21376.3308 18101.8388 14214.4768 14434.6367 23022.0399 40166.1990 12978.9657 31144.9686 16762.7216 12169.5979 17421.0416 11796.5748 PA(44:7) 13C1 [+H] 17089.5943 PC(30:0) 13C0 [+H] 101749.0744 151546.3268 80947.2311 22220.7325 48741.2126 20564.1861 18266.0957 13588.5562 17069.9966 52104.9491 49936.5652 62249.3657 127580.1622 32608.7311 45655.1041 26022.1393 35771.0750 48144.8998 13240.3655 15987.2223 91653.6978 57844.0940 71371.5487 22430.1605 15695.2623 20037.5462 PC(30:0) 13C1 [+H] 46106.6943 61431.9312 34992.9976 22537.7449 53372.8496 31712.9003 PC(30:2) 13C0 [+Na] 82461.9437 PC(32:0) 13C0 [+H] 517101.4316 40536.9207 521533.9452 356725.5142 131627.2721 22949.6255 236926.2189 31479.2486 238333.9508 77696.7517 61813.6554 99104.5852 70551.7705 37271.2916 41172.3556 52500.4238 29635.1666 24227.3151 67196.4731 47911.4960 27329.9458 33965.8118 73993.7014 85814.0673 177313.7080 32697.4178 24219.5495 176463.6212 61282.7098 209358.5295 230891.0328 192543.5663 358123.2522 934415.7649 162242.6638 39466.9622 121488.2312 57396.8582 121132.5713 308910.7524 136634.7641 134481.3378 217333.7293 61048.7741 403924.8657 42315.3219 74234.7502 38458.8328 46910.9666 64601.1425 33405.4881 89690.6446 51640.3968 38082.3875 36734.1780 80439.3542 50775.9814 30436.5288 41878.1257 19798.1150 33839.9357 136444.8669 104971.0140 34673.3729 84080.9931 19970.8227 41974.6290 143651.4351 466733.0702 137390.3386 282372.2894 66847.1426 88135.7383 213602.8830 47159.6365 164953.7232 22572.7039 28554.6039 33356.4372 122902.7949 21891.9960 34484.2917 21222.8976 70686.6549 47579.8281 22135.2124 89499.7090 16460.5530 28889.4741 62071.4462 PC(32:0) 13C1 [+H] 220077.3262 226611.6599 155730.1288 57591.4668 101098.9836 99663.4511 32882.8960 25627.9968 41613.5897 29527.9352 15439.2181 17257.1597 21964.9979 11717.8795 28265.4624 19823.0729 14896.2440 31902.4323 37401.9697 79009.7957 13132.7182 73350.9415 88676.2968 95452.3055 85396.0916 146564.6511 402737.2640 65961.7845 16263.4008 50870.6638 26790.1629 53139.3963 132523.3043 57759.4184 55437.8348 91957.1104 26449.3189 177111.1892 19188.3930 30548.4680 17543.4280 20510.2457 27312.0867 15511.3053 37536.4459 21037.8812 16465.1645 17661.2165 34038.9441 22123.8140 12835.6597 18575.4698 15072.1400 59063.0007 45055.8095 14935.6347 36621.7520 62166.8334 196535.7926 57419.0350 117692.0076 33198.7582 35525.6701 91859.6389 20681.2680 68616.2368 13802.5644 14288.1667 52258.5638 16286.2612 30168.2677 19361.6020 37984.8044 26049.5732 PC(32:0) 13C2 [+H] 45493.7940 70279.0623 PC(32:1) 13C0 [+H] 686476.7223 971812.3045 309081.0983 142404.6515 124149.6383 357046.7299 126342.0646 61250.1961 65653.1707 58703.0560 31010.2914 26459.9134 42351.8922 67927.1173 12118.4626 132188.7367 45820.2954 20188.8327 24654.4627 64913.0509 97556.6947 335747.8084 21849.2428 12184.8868 111110.8593 39443.8061 185183.9747 291103.3215 169686.9671 469614.4264 886683.9347 114509.3310 22452.5799 40964.7747 59807.2291 361682.5706 348595.8331 89962.8479 170217.2221 201134.0155 54255.6493 309652.7097 54361.4774 43765.6421 27056.1797 21020.5927 21240.9808 22564.3944 66836.3149 30594.3950 16143.6881 52440.3589 44584.1609 21377.6292 45437.6067 24850.9829 70659.2517 47644.3735 18319.4628 82967.2669 75906.9272 101649.7494 554469.5842 126226.5501 282736.0976 109869.3289 60826.0423 262629.5215 24045.8197 114868.1316 25716.5407 21034.3493 133767.8245 12084.5396 45544.6574 23514.0320 61680.3160 27006.1725 16651.1388 115009.9777 14005.7616 25916.1071 81933.5514 PC(32:1) 13C0 [+Na] 23904.4884 PC(32:1) 13C1 [+H] 289152.3355 419142.4227 131017.3174 61208.5337 53131.9139 153848.0329 52939.7902 25778.0316 27545.8002 24393.8678 13324.5717 17529.0759 28840.1087 57134.6677 19851.9531 26985.4836 42625.7521 143479.2841 49587.9065 79392.0525 120220.0847 70510.3950 198728.9855 376677.0097 48399.1193 27601.1108 154762.7748 152011.9695 39540.8592 74140.8066 84328.6408 24197.7450 130281.0693 24354.7672 19811.4893 12297.0079 27907.5245 13140.7176 21821.3605 19206.6970 10630.9107 19591.6192 29636.9374 20220.0159 36900.6423 44933.8697 236252.2248 58272.5550 122015.5074 52278.3836 28540.0665 107963.9140 45542.7717 12170.3460 57656.0015 19979.4075 26655.3218 11922.4969 50270.8204 32440.2157 PC(32:1) 13C2 [+H] 54610.3405 72351.2551 27664.8619 31156.9198 66681.0217 28028.7855 PC(32:2) 13C0 [+H] 152317.7375 259225.0221 137386.3701 25040.2875 44739.2452 78412.8633 26595.9002 22637.5742 28779.8321 18560.3410 23261.4865 24046.3540 33991.3466 42726.5171 60656.2306 40485.3444 123441.4877 170370.8598 31727.5726 54579.2698 23441.5720 55250.8476 14889.1888 18436.4597 30162.1650 21296.8653 41025.0087 162964.0128 56274.7338 86917.8932 51048.8199 94715.0971 27253.8629 15413.7628 14395.8529 17640.3125 22707.4775 PC(32:2) 13C1 [+H] 62581.7355 112713.7597 58389.6454 33136.0694 54295.8684 70617.9206 23921.8576 67983.6228 40472.4835 40520.4997 PC(34:0) 13C0 [+H] 99351.6473 78903.3466 76947.0296 21266.1991 53120.4448 38277.8466 16122.6220 15442.1257 18622.7173 15686.2244 10516.5185 13886.6226 15754.6306 28620.6824 45370.0064 57802.8362 40070.3020 54296.0218 145240.0277 26832.9880 25714.8809 22118.5142 22489.0220 40781.0738 67691.8272 13459.9637 19337.6086 11711.5411 18601.2592 25038.8394 20526.2988 15443.7557 35354.9885 102222.2816 55687.7621 46627.9211 31526.2995 24660.4153 19160.3583 10716.5637 17376.3378 17035.0089 PC(34:0) 13C1 [+H] 51277.6356 42386.0979 36194.5889 70628.5158 PC(34:1) 13C0 [+H] 7408502.6350 275482.6046 410673.2113 8365743.1740 4109470.9070 1829031.1580 114671.4961 2606085.6670 111640.9425 3427474.5590 199076.5874 1357786.1690 848643.9554 861152.1383 577398.3008 407327.3769 442720.4985 564711.8313 730323.0712 265109.1168 1182869.1380 567463.2481 273344.2647 341846.3321 986634.9524 1162207.4690 2870671.7480 279009.9761 170018.4638 2423659.2250 472767.7410 2294144.3330 6665733.7850 2402640.1210 4639500.3940 12397266.4200 1445767.1560 344359.1810 593818.5423 814572.4674 3340950.3690 3999488.8090 2184398.8130 1655897.3850 2192727.9940 800609.6601 5106034.8760 499145.3034 958842.4121 352242.6257 479131.0461 491664.3564 423295.1294 947904.5785 439243.1517 340382.3238 292514.3821 1017353.7070 632861.8200 329243.5333 628235.8872 165407.2217 383862.3466 1913928.9400 1046079.6410 313726.1633 924369.9424 124284.0993 498948.0666 1801142.6370 8938785.2810 2087752.8580 2858042.0670 981396.9182 895522.2821 3436792.3610 484222.9704 2886412.0190 69219.6103 260924.2951 376031.7236 379435.4259 1181285.7650 267370.6381 503564.9426 72986.6123 308882.4113 664371.3350 631389.4213 144834.9399 1375576.4770 222573.2692 387761.7638 741670.9081 PC(34:1) 13C1 [+H] 3324460.1890 125924.7768 179984.1996 3717797.6720 1832755.7450 812356.6556 51364.3525 1161148.4990 51089.3129 1536050.3120 89076.5807 608726.7799 382314.8001 387217.5075 259215.7988 183150.8779 197050.8416 254103.3990 322486.8407 121193.7783 527078.0877 251882.2240 123218.9617 152768.2311 437317.0519 509650.6012 1280387.4280 126687.5437 78012.0019 1078372.1890 207979.9046 1020255.7300 2965600.7930 1053429.8890 2074277.4170 5513949.9030 637858.4118 152930.4367 266710.5705 364012.0678 1478153.0890 1785769.8490 974729.0241 738307.2891 966545.8509 356419.3341 2267466.0090 223116.0648 427338.6549 157770.1412 215453.5473 222729.7885 192443.4394 422517.5712 198771.6347 151651.3186 131458.3373 449336.6687 283908.7387 151001.7277 280907.6991 74881.4319 172063.3030 851693.7148 464845.6116 142969.3396 411171.7115 54765.9052 222745.4822 795868.7174 3998205.8880 929331.8657 1269014.4710 449014.0030 404874.5933 1537561.6410 218675.9400 1266989.9250 32190.3007 120581.1735 166821.2632 167194.6285 527569.0979 117747.9932 227950.7939 32915.8669 136526.5344 296528.6014 280844.0009 65118.1948 606594.6364 98989.4759 169239.4819 330941.6936 PC(34:1) 13C2 [+H] 676974.1247 40371.6765 760713.7231 374201.8155 164471.4988 239106.1230 313932.4905 123279.9752 76093.2560 79490.1677 51536.8484 36543.0714 41244.8416 51517.8849 67882.9711 24613.6926 105718.5422 51569.1669 24297.3174 31499.0502 90269.7537 101654.6093 260438.4423 24183.5815 15668.8709 222032.3230 47928.6865 213221.0798 600816.7424 219675.7286 418978.9808 1121718.0730 128089.4598 32052.8792 53912.5595 75865.1938 301274.0434 351283.8280 203267.3621 145960.3072 198324.2303 71333.0410 465253.7477 44182.1197 88096.3095 32901.8360 44692.8115 45376.2028 38450.0683 86448.6523 39512.8603 30208.2768 27063.3562 90053.8479 57451.9579 30078.9550 56914.7116 15091.2455 34612.7607 173540.9970 97196.0749 28983.5503 80883.9932 46005.1247 162111.0146 815092.6320 189221.9424 262527.8257 86474.8957 80923.2072 317607.5385 42590.9952 260285.3015 22622.2152 33942.1024 34304.4191 108119.1347 24788.9849 45235.6334 27781.6501 61988.8578 56782.8210 124369.1398 19106.3737 33861.4133 66036.2108 PC(34:1) 13C3 [+H] 83455.9922 39010.4396 71455.1994 53280.7356 137343.9703 24658.8826 53365.0466 94641.5837 38676.6502 31682.7966 PC(34:2) 13C0 [+H] 17819451.6000 398902.2108 1072148.8340 25040197.3000 14228065.0700 3232876.8090 408458.4637 8687493.5050 293431.1336 7882152.0450 561233.1377 3062029.9650 1700417.2610 3866479.7880 1372532.7640 909281.7767 1673788.4510 1422720.4860 620548.9285 942989.5594 3508013.7150 1578137.9610 730084.7093 807509.6700 3046660.0120 3355071.4090 4283768.6090 341113.6464 524566.9923 7633295.5440 1393257.0450 4677870.2210 8186622.9950 4845276.3630 17382015.4300 33630276.8000 3145631.8240 1332801.6080 1799580.7210 1913929.8660 3109849.0560 6487474.6880 3534149.0180 6205963.0180 4668034.5870 2601651.7490 13123460.6100 1031378.0830 2258611.0050 1160848.8560 1351985.1640 2268751.4830 954104.1164 2116014.8700 1603091.1840 817910.6466 898087.0202 2647171.7060 1560252.3200 900592.5198 1393545.3260 489985.6537 1192549.0310 3996211.7570 4369718.6520 1018662.7120 2544438.4900 281135.4617 1044689.7830 5891786.5470 24165139.2400 7336801.8760 10777987.2600 1996428.6010 4025702.6000 8854902.6080 1682797.0630 5978506.8230 33054.5004 945721.3618 834197.4798 1372071.7250 3204352.1190 774080.3062 1596700.5570 192724.9388 870090.1109 1453829.3560 1830526.4130 496883.8313 2929099.8610 684798.3926 1039810.3010 1902326.2010 PC(34:2) 13C0 [+K] 26186.3662 PC(34:2) 13C0 [+Na] 1146333.6000 73458.7286 1389499.0800 736990.0998 187660.4971 36450.9749 599876.6053 26815.9017 645821.0056 37569.4397 169936.0411 123813.2292 310933.0780 98614.0669 60401.8953 94128.0633 86037.5644 33261.9109 60021.7498 183741.6134 78195.5681 41277.8802 154147.8627 135771.5474 180275.5131 15686.5924 24849.5059 522840.1720 103498.5170 334221.4269 559871.1332 227190.1029 1010090.6790 1865138.4440 185996.6409 125525.5620 134708.9266 160778.9141 176308.2747 502545.2530 328163.5962 387645.6927 411823.0981 186597.3521 1171465.9250 50647.3893 105561.9484 77174.7329 68545.9526 132197.0431 59770.6672 134564.8404 89434.5159 43960.6551 59202.0455 159281.1407 92353.9607 52253.2753 77402.8613 23373.3919 66604.2404 185889.4447 168886.1306 49642.0402 167476.3659 14365.5820 81222.4110 387615.6924 1566487.2200 402957.7614 524347.1339 180132.7790 351509.5533 835714.9503 139055.6326 383997.1855 61274.3269 44763.7595 87369.3085 154879.8102 70369.4522 46214.8352 75406.4116 108105.8451 21668.3495 123721.7446 33411.3216 53497.9325 PC(34:2) 13C1 [+H] 7784303.2550 171961.9119 475491.0446 10814036.8500 6247730.1030 1430250.4300 183376.8912 3827444.1460 132299.2773 3438101.0610 248265.9839 1344247.1680 752848.2512 1698749.5760 609459.5874 403900.6685 737809.4138 630515.4717 276238.3293 415925.2383 1556446.9050 702258.3324 326664.3634 359002.0810 1334501.5060 1476933.4000 1876286.9980 152262.5466 236161.8818 3400211.6620 626974.4582 2071643.9240 3612300.5180 2135694.0380 7591848.3220 14626812.9500 1394933.4670 581997.3448 807168.3048 847680.3966 1365990.2150 2873591.7450 1571130.5430 2727752.1120 2056518.7290 1150158.5990 5790962.9950 454060.9449 992301.0412 517466.9375 600830.7988 1008149.9000 417877.5089 933823.4944 703432.9273 358568.1247 395125.7307 1172018.4210 686578.9234 398377.4824 615421.8275 219403.7221 527388.3307 1757210.1160 1911626.4360 449352.0786 1120798.3140 126680.7818 464934.1626 2586837.1450 10537516.6200 3243991.5590 4760807.8600 859864.8348 1777457.2490 3877925.7530 744301.9138 2631631.4400 416494.9156 365487.0333 609322.9714 1415765.9060 335361.3591 703595.8607 88656.7581 387062.2552 638828.6193 807424.8414 223905.6035 1286662.0300 306337.1648 459860.3227 843139.6606 PC(34:2) 13C1 [+Na] 499899.0063 37314.2963 603897.5373 317977.8380 80858.2857 264595.9737 285234.3904 79488.7389 55558.5871 140716.8024 46015.8134 27777.2477 42132.4023 39875.2838 17672.7382 26362.5109 77226.1967 35628.8856 19706.7708 66570.7377 59462.2709 84295.3879 13507.1982 223207.6111 52402.0928 150334.7323 248875.8709 100297.2789 436931.5786 805820.3086 81063.7713 56029.3196 58833.6601 74512.0766 82450.3031 229357.6169 147726.3827 172239.7246 185383.6696 84147.9566 511771.0751 24148.5320 47877.8179 36528.8942 29854.1234 59689.9448 28741.0368 59442.8201 40105.0610 20852.5609 27662.3647 70116.3449 44496.6163 23723.4526 35412.9794 12291.3277 32785.8317 84799.1141 74596.0869 22539.1422 73262.5491 172488.1545 683431.8897 179088.6054 230782.8244 75333.1049 156526.7469 371941.3445 62554.6496 175508.3218 29122.6387 21160.2421 39325.6413 71170.0786 34603.0226 21948.6754 32444.6315 49549.1359 55423.7893 15978.4121 26178.8691 PC(34:2) 13C2 [+H] 1487137.7600 88435.2987 2078723.3370 1205850.7570 261338.3794 36233.6088 731985.2218 26681.2632 660483.2001 48560.1195 257112.5644 138382.6463 332383.9715 116150.5798 77741.8450 144319.8535 119883.6534 48832.5769 82911.7213 302105.6150 134500.6364 64220.4023 68514.6017 254569.0076 284523.1242 352466.7028 27321.0366 45319.9014 657802.8520 122029.2191 394409.0116 654044.9703 404198.1777 1476967.3490 2814526.5560 115463.2880 155321.6469 160546.5781 243829.7413 536298.8139 291708.6279 530640.7371 396127.6682 221312.9585 1115915.4100 87084.0331 191394.8917 101342.3990 116362.2375 198209.5153 82977.3700 178943.4236 138551.5054 69857.0785 77316.2235 224014.5510 134413.6432 76842.9434 116819.8497 41699.4903 104144.3367 332576.5432 372693.2335 87990.8828 217448.3177 23847.3746 84561.8529 494083.3630 2025788.6080 633153.3552 919515.7244 170522.2396 343624.3916 752500.4737 145502.6687 497373.6910 80864.9340 71119.8363 116501.5003 273230.6113 66391.1765 141097.2231 18027.0384 74529.7220 122996.9930 153293.3943 43692.2536 243367.2362 58859.3392 87963.6164 161140.7072 PC(34:2) 13C2 [+Na] 61262.4851 PC(34:2) 13C3 [+H] 148594.3591 218600.2515 82098.1849 63596.1798 27550.0991 35596.6304 16999.5592 15007.1646 32494.5320 16951.9604 28674.3236 31047.5955 45135.2512 43284.1604 153973.5747 285161.1606 12715.6367 31211.1876 42175.4711 25958.5969 115632.9688 20515.9393 22499.6539 15815.3139 22994.3695 15010.7838 42375.8442 23342.8217 51089.7362 221340.3928 71027.5706 101319.9299 38908.0860 80835.1877 18446.2448 50387.1611 13398.9718 30066.0520 15625.9673 17842.1150 24257.8466 PC(34:3) 13C0 [+H] 698223.9089 949378.2225 386284.5932 98887.1909 238936.9229 333856.5852 117382.7005 60730.3160 99894.0459 54413.6053 33450.6649 48240.5399 36896.7662 21838.2339 21636.8156 127614.9612 62445.4770 23062.6319 22774.0527 85471.6766 92534.3625 227018.6648 14381.4233 171101.0099 107433.6964 272371.7887 153709.4837 473054.3351 955167.5913 82653.2799 37989.9003 47224.5986 67276.9056 130602.7620 246880.3684 38557.2496 204390.7094 118359.9590 76925.1108 262625.1656 29917.8664 35558.0922 34906.9626 26218.0810 39141.3950 33774.0245 53747.8760 55454.9899 17178.2417 61095.7041 41250.8477 21783.8254 51603.1523 12845.5552 30376.6887 54171.3035 122124.4462 27721.6970 88988.6669 46799.6359 163478.8086 737184.9493 206848.0907 326679.8198 70968.7806 132924.0023 306725.0247 52550.5662 98425.6954 27091.3798 31800.9557 37657.3668 109920.7594 16606.9281 61295.4373 29283.1852 52228.3017 39251.5974 17195.0236 95100.0930 27607.6237 26897.3657 77809.3422 PC(34:3) 13C0 [+Na] 55913.2514 61219.6681 30437.8622 61315.3180 35543.6228 PC(34:3) 13C1 [+H] 322896.1859 424925.6904 172015.4484 45947.5070 110072.9176 152787.1399 51830.2600 25617.2550 43816.9197 24724.4496 15165.1744 20967.9637 16995.8861 10780.5603 57091.4557 28877.7941 11589.9833 36604.4204 42319.7185 103668.4922 77149.4089 48848.6774 127626.9409 68882.8369 219477.8748 414470.7400 37912.4176 16357.8637 24351.8667 32051.2364 58167.7226 117548.0408 89434.7133 51226.6226 35839.1943 113473.3712 14502.2634 16130.9049 15713.3084 17134.1657 17064.6169 24420.5982 24946.5525 28309.1715 19356.4102 11017.4296 23979.2196 13925.1538 24673.8810 56300.6880 13500.3506 40011.5593 72725.9486 329924.3040 95237.9390 146581.3275 32529.1148 58721.2817 137295.2157 23227.0555 44345.2583 15273.0851 17538.0952 50077.8474 27188.0468 13189.5004 24719.6130 16989.0940 44506.3483 12707.5389 35439.7706 PC(34:4) 13C0 [+H] 49451.0071 36068.1934 PC(36:1) 13C0 [+H] 1465390.0620 57130.2815 1422526.2540 650826.5429 274943.0391 20907.7977 481915.3649 20040.0827 605204.4413 42539.1247 302672.3086 169360.2578 188389.7321 115529.4515 59284.1329 100849.8586 109278.8333 118897.7213 48654.8236 258965.5008 91934.8025 64786.6799 51275.6490 128067.6298 138754.9771 338013.4931 59120.7616 28497.1153 506531.0601 75091.1045 320905.5095 1540859.2050 598266.5246 847553.2580 1386937.5650 204929.6458 74215.4752 112012.8809 182825.2367 521426.3059 525378.7329 127555.7768 275356.8802 333343.3806 141542.4100 821400.2371 72531.9640 105479.6832 52863.9667 67569.5723 101009.5330 83017.2772 189882.1083 91368.7720 34466.1243 39031.9848 204240.8614 79863.8752 52775.5526 114958.2696 33685.7273 55118.4106 200599.1669 146352.7806 53770.0639 159298.2857 21002.5155 79305.3063 336871.1878 1632688.7270 363564.7543 615366.6729 133071.2435 174264.1779 579528.2944 87846.0215 495976.6767 42502.3132 59623.3462 67148.5333 239106.6887 49849.9634 152132.4375 16943.5789 57106.3018 143421.6870 84724.5881 27203.7452 179120.8758 35575.5154 53242.2925 155346.7873 PC(36:1) 13C1 [+H] 694439.4889 684196.4905 309298.9176 130704.9381 233904.5883 288188.9381 22223.3839 144545.6266 82194.3428 89936.7376 54700.0047 29260.5224 47553.6891 51773.3768 54608.7022 22981.2429 125096.6462 44590.5882 30908.1699 24932.6262 59964.9564 66539.5697 157882.2842 27232.6693 14258.4977 234593.5721 152980.4926 716494.3681 278381.0760 407796.1530 652400.0249 96499.6711 35818.0796 54465.6011 86956.1235 245185.5217 251871.5408 59171.3461 130254.0601 155057.5879 68410.1941 394122.5032 33380.4042 49321.1432 23540.6228 33318.3339 48526.7963 39742.3198 90313.9344 44683.8221 16443.3316 18679.1215 99207.3847 37751.2424 25741.5596 52596.2500 15935.2819 24698.1518 97274.2661 70715.1622 24784.5348 74463.1381 41369.6548 162329.7989 765574.3948 174757.2933 290889.0967 66988.2931 82054.3740 273816.9279 43619.4894 238991.7160 20723.1356 29208.1552 31554.3856 114854.5167 23297.9071 70453.1005 26133.0023 68195.0175 40390.6339 15640.7241 84830.9252 16082.3583 25557.6229 75734.7036 PC(36:1) 13C2 [+H] 153035.7727 149882.7494 65906.0495 27950.6018 50538.0931 64648.0224 30559.5290 17309.0019 20613.2009 11572.9163 26604.1050 13900.9733 40537.2674 51764.5797 155284.6998 62830.0762 84220.3913 143189.2618 52757.9380 27850.4361 36306.1410 88124.7438 19863.7486 21445.8883 20374.1455 16861.6624 35652.2182 170480.4606 57614.7681 56522.9217 51743.0482 24970.9672 15874.4269 14515.3850 18562.9782 16584.0283 PC(36:2) 13C0 [+H] 12003400.0300 201276.6165 491768.0423 12852724.4500 6498326.2090 1683423.9690 223252.7217 5243687.2790 165989.0328 4827605.6820 373191.8954 2298068.1410 1055229.4830 2278419.8700 857851.9111 504451.1352 969961.6444 912543.3315 382973.7922 532247.3965 2383265.5500 821773.9989 549872.0059 391426.0150 1233675.5440 1425476.8600 1693392.1570 196306.0855 273591.8605 5062223.1870 655883.9239 2297259.4230 5016353.2050 3725812.7780 9737242.6290 14015660.5400 1495506.6350 703444.9461 990715.0841 1255622.6440 1770847.3060 3206993.2330 790163.0228 3358665.5610 2254300.1230 1270897.5910 8070718.6910 455970.3334 814836.7477 588555.2500 701036.4777 1268751.5270 577956.0797 1373648.9360 932044.9994 294324.4552 423399.5454 1425525.1570 736308.8251 479251.0003 788501.0169 322841.2830 601526.8651 1586601.9450 1807212.3910 482923.0734 1528095.5870 150219.1990 546767.5124 3465109.8620 14668415.9700 3842272.6210 6845987.0620 947583.1533 2557320.5190 4923321.7670 959888.2677 3795254.2080 450531.6466 485891.3024 747212.6235 2009706.2650 455384.3990 1248398.8350 115114.7752 496210.7792 906679.5349 821876.1126 236801.5073 1361157.3610 343241.5872 468871.2410 1146420.6640 PC(36:2) 13C1 [+H] 5527762.1590 97030.1033 233435.4297 5883963.8670 3007138.5890 794598.1376 106179.4515 2415205.6250 77645.0589 2236995.3140 175671.2136 1069646.3820 485701.2580 1057632.1040 396119.5493 236581.3504 445867.8544 430452.1351 179016.7549 245410.6645 1111225.3220 378895.8957 258500.1774 183071.3652 572276.9145 665132.8066 792082.8554 93234.8240 128159.3095 2314952.9200 313894.0713 1067601.4380 2346668.9520 1714350.2920 4495344.8090 6491922.9290 692671.8128 326870.1358 465304.7304 587752.2196 825816.2034 1503586.3160 367349.6227 1549737.4000 1051966.2560 589596.9385 3737611.5770 216397.8891 377801.8223 271703.1135 330359.9792 589398.1878 269284.9131 643328.4516 430576.4357 136406.1538 195856.6482 660404.1892 344312.7230 221744.4214 369401.9413 151712.4363 285174.4773 735057.3870 838093.6445 228074.7138 706033.7250 69132.2157 265111.0218 1588665.8390 6772670.4390 1785842.1210 3152184.2290 446457.1771 1190239.5720 2276888.3510 441963.2422 1738813.1530 214711.5727 226973.8474 343991.9104 921878.0988 212762.5673 576100.2848 55087.6802 227723.5386 418279.1716 378978.3362 113710.7987 629680.8345 157796.1699 217817.9889 532251.0813 PC(36:2) 13C2 [+H] 1161046.9210 48483.4746 1243059.7640 651645.2801 164855.5844 22059.7737 517630.1681 470439.2078 223822.3408 104605.0467 222313.5424 84269.3629 50763.4389 95199.7582 88639.8849 36900.3438 53820.2322 236758.6067 80876.3491 55661.7425 39319.2837 121204.9299 140976.2346 167504.6432 19550.2320 26229.3277 491935.2438 66440.8366 226814.5832 483659.3501 360900.8169 964223.1293 1380354.3550 146583.9505 69799.8555 99179.0694 123344.0324 172068.8770 316522.3055 78118.1791 329541.8775 228466.1043 125469.0292 798405.7191 44871.9424 83240.0357 60242.3258 68331.5254 124573.4229 54864.5380 135092.9502 93554.7611 27901.4703 42047.0838 134261.8606 71186.7316 49176.5770 79600.1458 31881.9512 61190.7020 155418.1356 177947.1330 47666.2627 151006.7928 16151.1904 53017.2907 337816.6930 1433230.7400 382788.1835 681643.5932 92885.9428 251649.7328 481314.4766 94953.4459 370121.8364 44986.8121 48888.5153 75149.4332 198906.8092 45422.5117 120234.9559 49003.6181 90115.0815 81514.5524 24673.9176 134043.6581 33704.6424 47814.5220 111526.0448 PC(36:2) 13C3 [+H] 161912.8915 76529.2027 64731.4078 61130.9734 29089.3266 29439.1027 12533.2049 31574.3237 15759.6404 17559.8907 63060.9729 47010.4708 161315.2634 22993.7815 40859.4654 31408.2502 19855.3856 93553.6212 16373.5771 18071.9352 17998.0211 20663.7179 24359.4007 20314.9575 41613.1837 162354.6818 53562.3677 85049.4701 33346.3442 61548.2825 48016.3268 24615.1903 11834.5809 17018.9802 PC(36:3) 13C0 [+H] 5687796.3670 97645.0047 252339.7351 7753681.2250 3819652.3230 1170851.8660 113106.7521 2373161.0160 75796.8823 2731415.3920 230609.2752 864209.9639 515309.9050 952567.4822 360846.1956 277582.4071 515588.5649 512410.9283 206923.7464 249318.5099 1130018.3340 528480.0752 271032.8377 188831.0095 693194.5241 734725.6523 1128423.3190 98948.2059 119940.6169 2240540.9520 335462.1032 1091304.4280 2582328.4710 1961911.6130 5220610.7350 8680343.6240 1041063.1430 292209.3732 507476.2046 617087.5083 1390176.8980 1997094.3130 617121.2858 1795854.9360 1043618.2430 627303.5396 3315106.3790 240624.0332 600313.4977 258789.4967 252435.9455 510915.2476 287967.0318 614363.7582 496181.1163 103035.0171 169678.1879 630745.7359 400785.8457 272879.7017 429417.5809 142994.5597 213295.3096 840308.8695 916114.6853 206298.1498 853442.0635 63777.7449 361075.1215 1582598.1740 7218815.4540 1879066.7980 2726000.8570 639973.6853 1218057.9990 2586871.8440 627690.4949 1419458.4200 168649.4014 318752.0687 367432.4105 846220.6018 201183.3438 495658.7185 44060.3907 236474.6219 412939.9156 437864.6513 117282.5294 648877.1566 209828.2338 263078.1557 605923.7531 PC(36:3) 13C1 [+H] 2640787.0120 119614.1267 3611168.9370 1780241.6530 553825.7121 54285.7541 1114068.5720 34383.5400 1264435.5930 108703.5222 402913.2198 237070.8926 442013.1153 172355.0081 129553.0459 241971.0018 236888.3222 97096.0752 115725.1712 531134.0030 247608.8962 127543.3133 88624.0229 326998.4256 346261.3394 522963.6551 45876.1594 55581.6634 1058136.6880 161948.6195 520954.4080 1219125.5990 905280.2626 2443968.6190 4013701.7430 487704.3211 135418.2496 238439.9623 299073.4346 652155.7000 939798.1360 295456.7975 835611.6269 490748.3144 295803.3555 1542083.1120 114052.4487 279383.3768 120352.4057 121367.8057 235973.3662 137883.1193 290492.6380 234073.1016 47585.0658 79284.9149 289715.2062 187790.9739 128754.0267 203139.5117 66482.2279 100684.7777 389834.2593 423188.9210 97135.9195 398161.6844 31039.9059 170510.2446 728898.9876 3331072.5740 888763.0520 1277202.6980 290574.3318 569286.7961 1211689.1700 295573.6747 669526.1838 80860.3116 150086.0769 171104.0132 395433.8461 93283.1144 226168.0679 21663.3017 107346.2836 194294.0412 204086.4721 53271.9345 308968.5484 100020.1718 124144.4443 282379.8822 PC(36:3) 13C2 [+H] 463100.3569 675522.9977 325613.9081 96957.4513 190796.5919 228333.6951 24351.4169 69267.2714 40381.7190 76186.6736 28914.3793 23243.4042 40697.3322 39842.9228 21911.2808 19967.3891 89359.6564 44302.8344 22609.7227 16257.2952 57454.8644 57722.2864 97571.3284 173445.5277 87450.9911 196674.4638 152605.9864 433909.1909 756885.8139 88970.3811 23170.9491 41854.1264 49630.4315 118320.7499 178915.9155 55080.9176 146261.0814 83242.4494 51108.1687 265760.1763 20417.3340 51207.7413 20793.8585 41524.2346 25561.5607 52078.4579 40090.4637 47458.9765 32555.7894 23307.0007 32768.2984 69405.7686 71689.3935 18297.4904 68923.6954 115127.3181 594192.9518 151383.7885 220223.3146 48115.1045 93964.1026 212987.8752 51691.7847 114778.1438 27622.8344 29583.1935 66190.7908 16608.4199 38124.2611 20012.6917 31781.0371 34897.9232 50516.7195 18768.4474 22673.4590 48147.3424 PC(36:4) 13C0 [+H] 7027665.4510 113795.6304 460732.9360 6872511.5800 6322964.9540 1208200.0260 144480.0053 2746834.0110 105183.0544 2394872.7660 212330.5285 1480560.4330 1191457.5870 1341994.7710 736778.6106 429336.4015 443684.0573 792501.1315 730966.0180 335036.1080 888240.7577 715195.6150 410865.9552 391840.8851 1297300.6120 1276393.3550 2097864.8680 146032.8825 138414.4105 2901711.4920 409872.2169 1370677.5750 2516164.3270 2441700.3760 5611385.2920 19275987.1400 1145559.7190 350011.2053 577615.6676 807170.8108 2809251.9200 4275220.5620 2846536.6160 1807245.1670 2007503.2700 817923.5296 9244616.4590 428891.1619 1290225.4560 454859.8129 528412.3893 596264.6495 530957.9514 765769.4105 532070.2659 444138.1261 130489.8196 841899.5017 862085.8341 377834.6779 583051.1769 165087.2139 437085.7787 1537076.5810 1543721.6420 224876.4201 1095351.7410 125208.0847 388204.8039 1522369.1740 11426789.6900 1771845.7820 3742516.3310 1025132.5540 1230286.2250 4899756.7130 438652.6837 3220395.0030 292352.2737 722059.9765 342933.8564 1416879.0750 266921.7031 479347.6491 54962.4189 299451.5974 763136.6541 564163.7295 147903.4512 1653018.0260 243242.6633 602942.7809 876399.3969 PC(36:4) 13C0 [+Na] 503842.0671 36838.1517 410878.0938 373824.8039 81562.9659 199395.9053 208423.8724 104277.9892 106657.9017 119047.2328 66194.6814 31841.6690 26081.3897 53510.2044 50191.0826 23130.7288 48906.8099 42074.7006 27770.1881 23288.4321 81575.2924 61389.9764 103610.5600 210118.5199 106348.2734 199745.8568 140040.9669 335891.5142 1114869.3430 79612.8782 37061.1772 47549.1818 81582.3283 201516.4631 383353.6495 275901.3062 127132.3164 186837.5984 68843.0007 827771.7204 26032.6125 65205.8706 33295.9985 28535.5311 38548.6831 35568.7430 52483.9546 34206.2712 26158.5418 56142.5895 57409.8166 25417.7213 39209.6499 25687.9681 75528.0298 68317.9550 13196.8065 77256.2869 112668.4245 795668.9219 98717.6456 211414.9713 116245.4278 123390.7656 503596.3672 39802.3798 257385.0676 23636.6515 49424.7688 23695.3900 85828.8298 17679.9680 25343.3729 20331.4258 48887.0508 36359.4440 83741.5173 13298.3905 37465.1665 43212.3270 PC(36:4) 13C1 [+H] 3237658.4270 218860.5440 3162574.8970 2921233.8030 569439.1002 68028.4220 1275545.4070 51729.8355 1117047.5470 101520.4410 687012.6856 551054.6303 619335.1875 339201.8472 201762.4299 207695.9370 366682.5744 338174.3233 156106.0146 416209.5379 335226.1941 193729.7517 183266.9042 596514.7063 595139.1136 977564.2100 71166.3432 65058.7500 1356902.5360 190709.4981 659309.4502 1191390.4330 1131166.6770 2590796.2610 8673467.5440 532838.7324 166911.2353 275216.5191 380492.3774 1280703.2860 1975244.2940 1300109.7530 843462.2582 938789.5433 385040.0461 4239497.8480 199947.5448 597151.5534 211233.0483 247706.5228 280674.4994 246719.2940 360842.7675 248343.5463 209035.0122 61524.3321 390873.6153 403292.0077 177469.9484 272984.7025 78408.0700 208447.7393 712713.6653 722071.9576 107171.3318 509258.2359 58715.8607 191492.1694 710629.9785 5223625.9410 826483.6040 1737341.2570 489142.9531 572908.6387 2233436.9430 205996.8239 1486974.1220 137126.2598 338230.1440 158288.7297 658438.6878 124651.2786 227209.4345 27440.5475 139957.3703 356672.8389 267049.1571 69056.4640 763020.4301 114899.5347 286665.1090 415098.6403 PC(36:4) 13C1 [+Na] 234624.5518 188577.1191 170592.9635 36238.5421 92542.0272 97142.1424 48662.0496 49455.0379 54021.8927 30692.4892 14356.6806 13116.6806 24495.3177 23186.8796 11851.1478 21705.5885 19149.3801 15289.0323 38002.8625 27890.9593 53738.8192 100156.4985 50535.6545 91514.5753 66640.9980 154676.0059 512356.3006 36686.7564 17124.3887 22880.5036 39529.3925 95596.0460 184680.8361 131169.1231 58976.8597 88018.7930 30991.1667 390037.5132 30124.7310 15837.5771 17698.2403 17123.2317 25511.1687 15884.4482 25164.3097 27731.7019 11702.3905 17751.3589 12970.1663 32862.0101 31716.1583 36969.3107 50011.5737 371112.5188 50106.2900 96526.0877 50775.0961 54480.1496 235391.3922 19423.3105 121564.2264 23281.5308 12185.6965 38680.3962 22692.2670 17194.4896 38657.4885 16730.2089 19251.2815 PC(36:4) 13C2 [+H] 634767.8910 49658.5551 590299.3925 592107.2854 108189.1441 252241.0559 213033.6879 24969.1046 138115.5195 113008.9284 122516.8915 69223.4748 39632.5961 38740.3256 72850.1063 71929.8304 32172.7476 77131.0326 67123.3249 38101.3008 40498.7000 124111.4099 121055.7027 196801.0761 20933.0936 16982.8708 264980.9610 43803.8516 125478.7472 223604.8572 220187.6049 498569.8484 1742445.3060 102869.9504 33417.8434 54113.9564 73235.9171 262290.1050 398418.0677 271893.6764 163636.1095 192328.0487 73273.4764 872044.2494 40497.8750 123118.0336 42486.2734 51793.7020 55428.9136 51470.1568 69591.9327 48541.2767 44346.2120 16446.1016 78199.6531 82941.0869 35425.2322 55242.8563 17046.5417 41354.9396 146369.0167 144071.8530 21391.5043 99730.3182 42090.3621 131716.8295 1046590.0110 158300.6347 347342.5976 95437.9267 110220.8545 451059.1708 38736.9703 299501.1687 29324.5101 68970.1473 30039.1087 133003.9116 24711.6812 43170.4499 27464.7960 71448.5291 51831.4607 15709.8140 156923.7542 27022.8702 59303.9380 84990.7647 PC(36:4) 13C2 [+Na] 27627.5673 77300.3449 76402.9991 46473.7346 PC(36:4) 13C3 [+H] 67342.6681 196164.0084 29984.8159 33145.7889 100798.8418 118758.0438 49555.3146 37592.1312 20316.1926 PC(36:5) 13C0 [+H] 57586.3176 PC(36:5) 13C0 [+Na] 37044.6661 55684.2236 34271.4344 PC(36:5) 13C1 [+H] 28820.4971 PC(36:9) 13C0 [+H] 27751.4942 PC(38:2) 13C0 [+H] 146217.8343 193696.7980 89383.2952 27629.5775 63186.4100 74700.5608 28683.4150 23232.0956 16004.2927 30673.5682 14376.9979 14566.0142 16371.3995 31301.9927 57743.8441 67086.6138 58159.7672 92997.8393 146245.8356 24570.0992 30494.2604 39577.2467 33596.7639 103474.1552 13992.3399 23328.9627 13111.5013 17687.5982 14129.9300 20085.2379 20073.3446 20167.2016 42380.3025 162010.4180 47241.0760 63973.0636 27658.3533 70376.3138 47363.4578 26195.3895 18637.6795 14879.5987 10631.3119 19032.3946 17011.5330 PC(38:2) 13C1 [+H] 72139.0808 95368.8052 45513.5636 34385.3691 38217.1841 17406.8248 31600.4797 49094.7261 74188.4467 22033.5946 55241.9109 12416.4250 84160.0901 41373.8014 32572.2174 PC(38:3) 13C0 [+H] 2042150.9900 51927.8235 1873015.1230 858511.5407 330362.1208 21881.4157 577396.7280 19695.1158 800686.7189 64714.5641 423216.8889 150182.7498 272056.6738 124689.6294 79099.5931 71600.2283 205515.7318 82057.3454 45732.9498 400449.1657 131128.0262 131022.1150 44642.8887 158313.8581 188954.8581 312018.3278 34284.4473 22733.0552 697762.6944 77588.1448 272128.1723 522809.6866 738112.7587 1748707.3770 1800654.5240 357712.5901 57125.9357 140356.4929 239039.3133 622421.4169 564420.9530 118105.1525 473861.6815 227973.0274 122674.1103 1101620.6490 67449.7109 100809.5011 71825.2110 52220.2317 70040.7223 75664.9126 252345.1128 134430.1771 18915.7271 31054.2478 134833.7825 101022.4619 77214.8693 152827.9770 44407.8005 42680.6758 165070.0534 155198.1588 46455.7738 317177.5107 15483.6611 88049.6611 310324.3236 1981877.2160 374316.9722 902296.3018 186630.7876 277372.7173 749678.3842 140184.7201 478935.8217 34424.5815 111492.6885 65321.8181 351449.9283 35263.9043 166908.6944 52510.3219 112064.1131 96880.6679 31266.0178 159104.7627 57044.4726 59266.3602 198065.2461 PC(38:3) 13C1 [+H] 1016069.0790 915235.8764 425061.8138 160086.1125 286505.1865 393460.1971 31897.5160 206214.6497 71861.7351 134893.0179 62400.9102 40180.0949 35249.4065 99959.2356 40641.5707 22326.1389 198042.4536 64369.3097 64545.7075 22257.7536 77700.1817 94618.6624 155420.2614 16267.0934 344908.9952 43944.4184 134032.3292 258312.6468 361629.8093 860217.6782 897544.7019 175912.8350 27530.2350 70118.1014 120091.0702 303640.8769 289004.8585 59662.5983 233906.9018 111561.9425 60474.7200 553039.3318 33000.9061 49024.2513 36317.6541 25670.8629 33411.9656 37300.5194 126003.9445 65001.4801 16761.1910 66222.7675 49904.7820 38332.7256 73958.8337 22905.0527 20310.9203 83622.4022 77016.2169 23008.9467 155778.4198 45675.4529 153755.6279 989570.2474 183906.0224 446228.1405 90388.5396 135604.8490 371647.6683 71409.2444 239885.9775 17794.2273 54725.0453 32471.0920 173299.2100 18982.5527 82019.9436 25754.2473 55458.6529 47663.4378 17797.9599 79783.6050 28675.5045 28548.6645 97128.3421 PC(38:3) 13C2 [+H] 228298.2950 211950.9287 92565.4100 41261.7957 62934.5094 90310.9583 49153.7068 18443.4841 32477.5517 23251.4602 44926.9099 15559.6966 18939.3192 20921.5910 21578.0569 38485.3616 80284.7307 60554.1200 90795.5231 193172.0589 203592.5525 43307.0034 29350.5274 78164.1698 59269.0050 122293.1649 28404.1180 15504.5004 24168.7220 12948.1102 10408.5971 16049.0017 20742.7963 17535.7060 37328.8175 36357.5419 230172.6840 100157.5552 23628.6519 33044.2091 82948.0085 54718.8745 43021.0940 18595.2962 14462.3743 11771.5323 19040.1463 22609.3025 PC(38:4) 13C0 [+H] 5342943.8670 275907.9548 3672501.8490 3134088.0210 755414.7733 87275.0539 1986420.6220 70322.9529 1762116.0660 167614.0035 1247383.2040 787752.2599 875754.6204 527059.8969 302389.3445 233782.2981 591373.1848 491416.6242 209253.0898 642448.1092 368026.8106 381818.8053 255970.8771 619128.3305 660219.6191 882804.3810 97347.8162 87107.0285 2020883.7640 201677.3943 772425.2764 1906862.3230 1897823.3800 3784391.6190 10198728.0200 646706.5524 192716.9412 392807.9544 568427.1062 1788446.1060 2263318.6130 952131.0085 1157628.1770 920713.9703 395090.7043 6329316.9590 213691.3822 566242.4835 270597.5356 342068.2623 329690.1476 367012.8314 575838.0103 373281.2401 229349.0425 69196.8859 393973.3728 521643.3537 243708.6779 370473.0334 124415.5381 246939.2992 916628.1479 781376.3644 120554.7868 762800.6115 80008.7367 200500.7437 813773.3630 7368653.5870 881721.2723 2467593.5080 530825.1518 788314.7418 2995482.1820 305968.3675 2333218.2460 152954.2698 526953.9731 177909.1778 1054621.6660 159916.3636 335880.5253 26978.7528 154388.5242 437421.9660 309347.0415 76295.5788 857131.6318 145788.2184 287933.5885 590644.6297 PC(38:4) 13C0 [+Na] 351675.9020 195412.2871 165484.7544 46625.5343 128757.6662 132569.7769 79333.5594 65653.6742 71820.4979 44620.4288 19622.8880 37081.0541 31501.0464 13861.9498 31157.9595 19844.1187 23423.0711 35845.9984 28553.2463 50668.4901 137046.9799 57978.0902 134057.0680 95476.2952 199583.8989 527725.7981 41377.0928 18623.5700 27979.4736 53321.4313 116799.1257 192922.7536 89075.7457 72570.4062 75189.8146 28758.7275 540250.4610 25791.2469 17142.7057 17772.5050 21792.0117 34881.1847 21358.6968 13708.1845 21987.8005 31404.1471 14950.1381 22353.4035 13805.9006 40191.0238 49672.7585 480716.7038 52312.0015 120225.6505 50448.0487 70168.3235 289769.5408 24874.7938 164030.5488 31229.4731 54058.2838 11793.7422 17507.2102 25083.8131 17743.6427 41271.6852 17792.5089 26612.1331 PC(38:4) 13C1 [+H] 2589869.6780 133573.8416 1783255.6710 1538847.9230 365666.4054 45018.4567 974012.8485 35318.5211 871077.5798 78748.2994 608958.5592 381021.0777 428072.7747 258614.2012 147466.3676 116433.0283 287811.9461 243631.1006 105286.6262 317094.7742 180627.4672 189795.1708 126077.4788 302923.6807 323371.8057 435886.5242 47111.4725 42586.7432 993848.4526 101215.4739 382815.2165 937911.4811 932044.0138 1841396.9760 4928075.7040 316477.9055 95821.4662 194155.0065 280016.6372 866310.4341 1100075.6510 472370.0785 567559.4956 453081.0925 195805.5999 3060032.9380 105726.5364 280670.0326 133168.6645 166469.7123 162723.0261 180625.4341 284193.6030 182726.1104 113574.6778 33793.7045 193560.8668 257521.5104 119840.3831 181573.6191 61612.9718 120689.0778 442948.0084 383483.5201 60466.9641 371183.6580 38292.2625 101281.0354 402424.9336 3595751.7760 446477.4363 1202848.1900 257770.7701 388608.8240 1450966.2160 150446.9482 1139165.0320 75519.4796 255269.6724 88434.2448 506557.0429 77873.2541 165336.0478 75756.1968 214596.5109 154428.0571 38227.4644 418272.9514 69909.0629 144739.0913 291477.9161 PC(38:4) 13C1 [+Na] 172863.6768 99006.9972 81623.9102 23809.8576 61181.7957 66945.6407 38294.4598 32123.6714 34441.1772 21984.5651 16570.9751 16158.2087 17364.6727 15715.7878 66282.0769 67160.9079 49984.6880 97568.7425 255144.3767 26752.0841 59522.1033 43460.4272 34762.9630 37019.1449 257846.2861 13282.9995 17240.8670 16617.8455 20997.1689 24933.6624 233646.0562 59043.6603 36291.7879 141697.2493 85611.1719 16318.1604 26827.9319 13882.8935 19646.6977 PC(38:4) 13C2 [+H] 557630.2507 371914.1772 335156.1809 81695.4845 216922.5166 184125.6869 128589.4405 85277.8867 95249.4609 60688.2965 33655.9656 24732.7151 63914.2521 54102.3590 23496.5547 67424.7629 39040.4734 41033.0254 28787.8167 65882.5600 72715.4270 97898.8777 11721.8710 212180.4363 82230.3557 196810.8081 203443.5942 389473.7019 1095267.2950 67664.3107 21950.3758 43747.9870 63428.7561 187634.7506 238268.0258 105725.3630 122719.3138 100683.1301 43308.8821 680614.5387 22816.2229 62188.9575 30600.1314 39887.1378 35337.5407 40147.2932 61255.7784 41188.6834 25591.8247 42410.4298 57454.2930 26132.8665 40027.9110 13016.4323 26756.9228 98585.4782 89005.2435 13122.8819 81719.1118 88478.9060 781281.0166 97535.1893 261279.6987 55802.3059 83836.3190 320659.8975 32406.0465 248806.6242 17364.7884 56852.0235 17676.6084 113531.2699 16954.0087 33385.6011 16781.3807 46531.3110 32685.1529 94089.5499 15632.5951 31595.2669 64199.0708 PC(38:4) 13C2 [+Na] 57133.7743 30762.0106 PC(38:4) 13C3 [+H] 76095.7803 52824.2248 50252.9471 29085.8994 19050.6213 14916.3580 9743.0969 30653.9608 55940.1722 146659.5811 26681.9942 94711.6347 100704.2085 39532.3404 45425.1896 33858.1485 16635.4271 PC(38:5) 13C0 [+H] 2080863.3920 128609.7605 1642973.6590 1304685.6610 312514.6356 34804.0094 716973.3739 26111.3486 695072.0565 49331.8994 425366.5077 257131.3037 233699.7880 186749.8915 91628.3179 93924.4907 181631.3815 148178.5643 74116.5070 230997.8866 156232.0059 103288.4491 113421.6531 259350.9863 230996.4238 339263.8851 32737.0974 35766.6290 627354.1902 94335.3533 229513.0487 847109.1484 718870.5391 1231162.5040 4484184.4870 314968.4980 122205.9108 193710.5115 641750.6581 1050612.3550 433862.8340 447705.7314 362864.6877 171089.6400 1427671.2260 88267.5485 260607.8681 86191.9781 104794.3952 90656.2071 159126.0122 140985.9017 167454.0441 63091.6451 37119.1878 142362.9183 181753.2960 77883.2296 137490.9201 41302.6656 81236.8428 397933.4188 392320.2787 55133.4341 226938.3124 25996.3471 89900.2182 401575.7432 2946656.2500 409493.8837 890897.0839 225048.3095 371259.0146 1072269.4060 127978.5288 675020.1969 68881.4885 188854.2254 82263.4635 381273.6068 107916.0842 135924.4664 68787.7007 181644.2957 117274.9410 28051.4774 335466.9488 71427.3684 129221.5097 269063.3291 PC(38:5) 13C0 [+Na] 149347.1807 97590.9330 71560.8299 22044.3596 50777.5460 64357.5661 29661.0006 23528.6685 20535.5109 18132.8910 12363.0784 15811.1624 47210.9349 66818.3586 39845.5912 75381.0814 250421.0602 23839.0053 44261.9649 119733.8758 40151.2302 32407.5547 36433.3731 136479.7507 13825.7803 12344.2753 20903.0423 19480.2785 18165.1586 33007.7470 202464.9182 50337.0491 28757.3843 38146.1039 114223.0652 54538.0535 12572.0943 21367.7714 12220.1925 17817.7381 PC(38:5) 13C1 [+H] 999666.0384 67116.6627 777208.1614 636366.0426 152815.3181 342638.5798 348606.4513 26329.0201 206147.1922 128373.7150 115474.9158 89496.7842 45102.4031 47347.8233 86570.9261 72224.3135 35070.4087 119507.1856 77117.0550 53503.9067 54202.8504 129323.2067 115117.8154 169371.2402 16566.5594 17473.8842 300609.5848 50361.6354 118428.8836 418681.0942 355295.2468 582313.9641 2159042.6230 159367.8892 62353.6123 95961.4009 315960.1441 524699.3843 213328.7666 222425.0510 182573.4749 85873.6911 697890.6266 43418.8240 130737.3883 43918.9344 51907.3211 43949.0272 81594.9163 68465.2458 82992.5856 31184.5492 18659.5983 68309.2346 90262.6147 39053.9758 64999.7573 19118.8262 39209.2122 199028.8119 192617.5878 26346.3674 117101.1297 14183.2994 49277.0019 202432.6640 1413051.9430 209869.4264 430964.2315 113216.7041 184249.4058 518326.1484 62347.2651 338873.9509 33862.0433 91833.3591 40085.4181 185948.0747 52306.9231 66125.7551 34983.7018 91067.9823 57861.2321 15804.4279 167754.5648 35236.8348 64597.3821 135508.7861 PC(38:5) 13C1 [+Na] 73477.7019 48588.0081 38636.9845 32330.7962 123494.8917 23401.7524 21045.0932 62879.4806 101846.2846 54166.8329 PC(38:5) 13C2 [+H] 177700.3662 139472.6382 112493.4415 28682.9550 65774.1016 59751.1500 38503.4498 23240.6148 73886.9921 58683.4585 364968.8826 29094.5171 52265.8083 37346.1163 41142.9081 37086.5731 23244.8493 16660.2002 33806.3446 33302.1514 41053.3795 249459.4457 80138.2111 28609.0625 38021.2042 93375.2842 33196.3935 12210.3677 17073.2451 29312.8011 25522.2021 PC(38:6) 13C0 [+H] 1039732.2210 251927.1102 1518839.7310 1704285.4460 342104.9583 751642.1256 655599.6692 62103.8892 587517.8310 288987.8436 222266.4145 153227.5702 98548.6140 108157.6740 175584.0322 103312.4944 102788.1526 244386.4985 117912.6645 82135.3477 180854.7638 367842.0990 295674.7793 351954.9458 33634.2024 516025.9849 206592.6942 235792.5347 569634.9186 437622.0095 1487485.6060 4272623.5220 227172.4268 61834.8492 126045.7999 135373.6915 698911.8913 1165197.6370 558856.1188 446030.1114 412186.7225 170647.9571 1864573.1680 76175.0813 253147.0918 110463.7460 146919.5471 110363.1078 208214.4957 117823.1482 95707.4584 80754.2478 87518.5464 222239.4823 197912.8486 97560.2198 151469.4210 37220.7493 86109.4200 370695.4023 606393.1253 102249.6906 255808.5660 27515.8162 784124.3587 1993628.2000 455734.1454 1101758.4780 243075.7863 308882.7275 1003982.1360 109843.8226 1153161.1220 140096.0489 183011.8568 121679.2519 289304.7704 112641.3291 79940.8349 85715.6946 193554.6749 151758.6934 23550.2522 312122.6228 92130.0536 226390.5636 203640.1977 PC(38:6) 13C0 [+Na] 79665.7114 92403.4517 100944.5812 23755.2888 52952.8168 56485.7513 41023.4802 23935.4417 20860.5546 15617.2319 12380.1442 11498.4572 22160.2792 14721.3761 53009.8237 28422.2672 85843.9445 244903.9363 49239.1193 52614.6707 29333.8802 37799.7751 166337.2307 14242.0778 15693.8983 13060.0643 26373.2420 19912.8011 55692.5446 144472.6908 56161.8506 27538.1317 31588.2005 103334.9031 89317.8035 13197.1788 17527.4317 13570.5186 10296.8002 15559.6933 14216.7831 PC(38:6) 13C1 [+H] 503741.4684 122238.6831 746232.6792 844537.2004 171082.7878 364802.3494 312075.2482 27973.5935 293862.2333 140497.0124 105537.2384 75006.2802 48261.8967 85970.6716 50883.2021 51787.4923 119932.7418 56618.9270 39855.7482 87622.6675 177090.2398 145025.4539 174313.4491 16521.2810 260470.5237 100614.4247 117256.6697 297610.4307 218908.0643 726088.1563 2080469.5440 110675.5896 62183.1498 345259.3242 575318.3589 275800.7640 213507.7691 195082.9252 85441.3842 905304.1869 37722.9299 125562.7313 54668.3705 71803.5232 55443.1531 100680.4356 59262.4712 49344.5903 40814.6644 43503.9517 106852.2745 95689.1797 48436.9506 73991.8012 19014.6228 42089.5069 176210.2088 295609.5229 50745.7259 126247.1220 14713.6988 384057.3773 994008.0472 228294.9889 536266.2560 113970.2143 150019.1942 484514.2017 53758.2245 568118.5079 68674.9571 88794.2875 61316.2049 143418.5728 54688.3251 41179.1816 41070.7666 96576.0192 74897.6591 149432.3983 47505.8693 111308.0150 100054.0391 PC(38:6) 13C1 [+Na] 49366.2039 46020.3126 29120.6889 19429.2902 48490.7993 117215.2953 25280.3479 26990.6471 83047.1291 70882.0599 52988.4365 44811.2225 PC(38:6) 13C2 [+H] 133131.6456 45249.5630 22056.2496 17530.3821 29502.9468 22743.1975 30538.3285 333026.7608 56094.9695 102499.0718 50032.1247 21999.0604 19527.3873 17516.9277 16537.8161 14080.0844 28533.0099 51915.1491 11208.4682 54567.5989 90962.5390 15837.1595 16753.3433 12787.3164 22925.9054 22262.5946 PC(40:4) 13C0 [+H] 224428.8257 129650.6659 73184.8995 27235.2976 53684.7593 58782.3050 26150.3327 21882.7351 20212.1960 16386.5816 12528.7373 14100.0927 46954.0921 51245.3087 79030.9730 84120.5268 113168.4946 201005.2841 39794.9992 70473.6054 23249.4301 30428.6934 33840.3955 121850.3912 18909.9428 13898.8710 14295.9252 28017.7274 19583.1809 18798.8354 189589.0561 73142.1985 66735.4432 32818.2214 33967.7048 15963.0827 14066.6320 10903.9726 22290.2145 19019.5651 PC(40:4) 13C1 [+H] 116602.1748 68945.6519 43175.1828 29752.7600 11882.0923 43767.9091 61987.9352 101279.8140 22661.1554 37231.5350 63231.5795 97179.6358 41595.7963 35999.5314 19504.2532 PC(40:5) 13C0 [+H] 574369.1198 334036.7192 208555.4151 71782.4192 143192.9974 163950.3104 101988.1963 33497.0516 53311.2945 37873.7481 13652.0846 16193.8796 56023.3637 32389.3794 14053.6794 55573.7993 23523.2059 27011.2216 13860.5506 35946.1939 39357.3093 80258.9149 130803.8964 56365.1785 191726.6510 197491.4272 323706.4749 673022.8034 101523.3531 14276.5596 28484.8972 46568.3260 177822.3792 178198.4906 69022.1775 88642.3817 82502.8588 28042.6789 333430.8011 23605.6828 32991.3672 20002.4529 23484.9311 18778.5806 25313.3533 36896.0188 34067.5143 26544.5381 34702.9089 15493.3131 30338.6306 11301.7920 17633.8350 81223.7595 66761.1958 12313.4518 53105.5450 69899.8260 565739.2117 82546.2383 218705.3750 42315.7044 70850.6206 199655.4423 26557.0129 108264.8661 32253.4815 13885.7679 101662.9316 13599.3329 37885.0288 12909.4958 38165.3538 22984.6768 66696.6904 13501.8161 15710.3088 57587.6898 PC(40:5) 13C1 [+H] 293303.6933 188959.1820 112790.9224 41657.4583 84893.7575 85231.1869 54268.4412 17367.9430 28157.4488 20139.7689 29218.3311 17291.7801 29532.2765 14214.0509 16034.9575 19045.7870 19383.1974 48947.6891 72340.8143 37027.2921 110267.7787 106257.5830 192175.6368 370623.7381 53923.1698 38913.8350 88863.5494 102530.4940 35148.8699 45223.6576 42689.8095 173144.9516 16325.2229 17114.8331 18961.8411 17763.9469 17710.1855 16837.9971 42014.1789 33560.9132 27319.2723 46013.3123 308507.9429 66883.3346 131684.6931 34924.0388 52774.5106 103319.0835 55991.0223 16269.0120 51896.5145 19913.5289 20230.0240 13031.4102 35394.3477 31565.7986 PC(40:5) 13C2 [+H] 66399.5198 47585.8890 24037.7651 49222.2871 86692.5592 23354.2798 41383.9546 71406.8706 PC(40:6) 13C0 [+H] 489373.7617 70525.8256 565557.6459 535008.9285 138472.9116 243514.3170 285560.6597 27890.2172 330938.8769 101781.5955 93617.4784 73118.3821 34823.1450 40040.6027 80821.4527 46364.9425 35641.1082 113992.0047 32566.0939 38325.9816 67729.7993 101884.5070 86482.0228 118144.8527 15336.2113 13503.9887 213411.6372 242919.7911 217230.8066 697186.2543 1406731.2050 92610.7040 16487.9003 47294.2140 59786.1082 327207.2992 402963.1474 129523.7476 180153.2183 125714.6667 47261.8379 811082.9182 25500.0661 66270.4791 37068.9439 53208.8966 34657.4444 74280.3802 57167.2116 38377.9685 21230.5612 29449.3711 62181.3834 62434.6092 36445.3189 59899.5632 14631.1377 28164.1935 112451.8720 165717.4841 36033.8504 104430.8576 253403.9266 787384.4611 132143.9289 472149.5994 75724.7242 109524.3402 368419.2127 45070.6981 499530.4180 37297.0717 75675.1722 35347.0911 130190.8207 27861.5761 40719.9927 26853.3460 74164.3580 41686.6395 96227.1277 29962.0704 52918.4238 88219.9800 PC(40:6) 13C0 [+Na] 25481.9522 20463.3978 77253.6117 23713.4718 69838.3052 57958.2546 39838.1415 40876.3557 PC(40:6) 13C1 [+H] 253874.8603 295659.0796 278424.7924 74390.7184 125335.3673 152493.0619 173005.6507 52463.8147 48871.8529 35679.7656 17938.8701 20535.2736 41154.7438 21993.0416 18874.7885 59313.9309 15887.8574 18958.5795 34787.1054 52306.9340 44796.4439 60098.5558 111819.9508 120664.1145 108757.3953 353384.9511 717187.8756 47426.9650 31822.8010 171773.4258 194785.6846 67611.2204 92582.7483 66980.6710 24911.3692 425128.2629 13974.8766 33614.9975 19408.8149 30533.1446 18093.1838 37728.6696 27752.8527 20632.2022 16928.0872 32757.9141 32604.1699 18805.2011 30863.9717 15098.4600 58173.2915 86460.8011 18436.6638 55254.1759 128362.7572 407326.3050 69692.3378 239877.3345 40689.2524 52590.2519 191554.2514 23602.3678 258271.9231 18539.0541 39340.5722 19260.4399 69845.3530 13786.3589 20983.3613 13299.2874 37060.9990 22357.5003 49742.3509 15553.3233 28272.7429 45040.7983 PC(40:6) 13C1 [+Na] 39524.6366 PC(40:6) 13C2 [+H] 55978.2997 61551.9503 59917.7664 34929.6637 37131.6808 12726.3749 79435.2777 155299.9405 35170.9618 17276.5590 21699.3276 92441.2657 21212.0164 88778.5790 56450.6452 40181.0484 63330.7609 16177.4863 PC(40:7) 13C0 [+H] 48366.6759 PC(40:7) 13C1 [+H] 24806.0324 PC(44:12) 13C0 [+K] 38144.1706 PC-pmg(32:0) 13C0 [+H] 101397.8730 76898.1517 49570.0021 43023.5577 37512.4840 17852.4751 88324.3665 178779.5543 26346.8460 23352.7029 32863.6733 38845.5947 16917.0234 14668.1448 24375.2794 70137.6944 30734.1237 15066.8404 PC-pmg(32:0) 13C1 [+H] 71766.1807 PC-pmg(32:0) 13C3 [+H] 131677.1583 99390.8364 120957.2540 248255.5884 101947.0191 108794.8252 62416.0517 76047.6833 PC-pmg(32:1) 13C0 [+H] 86941.0064 65463.5947 41064.3214 20364.1310 36321.5836 30140.6533 65283.2393 150357.8361 24502.1523 37580.8018 12059.1680 22090.3973 63412.0237 PC-pmg(32:1) 13C1 [+H] 61228.9869 PC-pmg(32:6) 13C0 [+K] 56902.1115 47330.1758 22403.7956 41754.6963 46477.8684 66747.2836 PC-pmg(34:1) 13C0 [+H] 174707.3151 151745.9026 85388.7378 40647.9627 89370.8095 75074.8670 20744.6177 17762.2156 30670.8036 10912.2193 15049.1904 13319.1927 23698.8691 14714.5855 15974.6954 21541.0451 34341.1787 47003.7769 42312.9913 58863.2672 57091.4210 175634.5754 259460.6724 30527.6073 24422.0885 26046.7885 90052.3690 25526.5394 44309.0984 37701.9171 23544.0393 84485.8592 27481.3906 17610.7102 28606.6659 13986.7225 19662.5242 14252.7097 9689.3722 13454.6686 53230.3189 25187.9576 21291.8733 64170.4522 136833.0072 52761.2392 61090.5040 24328.7351 49141.7601 16180.6314 38336.4647 15659.0855 20462.6230 11689.4894 21102.4479 19940.4756 PC-pmg(34:1) 13C1 [+H] 76993.4111 68033.9200 40269.0868 20125.0497 37368.6218 34947.0405 75243.4867 110940.6448 40658.1672 13580.5737 23111.5734 30155.6854 61178.4310 PC-pmg(34:2) 13C0 [+H] 244964.5861 205382.3195 120492.0994 54083.0060 98812.0624 93088.0594 24271.9755 24231.3585 59398.7050 19963.5639 11810.3611 26873.4983 18146.9447 14033.0110 30652.3711 17045.2073 12011.9307 24832.1605 28884.0384 47810.3581 89840.5851 39522.2097 92460.2010 76006.3461 224630.5866 260202.6221 35996.2876 16047.1517 29928.5710 24339.2780 22086.9075 67386.4253 40810.7132 25584.2316 88128.8641 25470.1662 17733.3781 34791.5224 35559.4642 22808.8980 38254.3975 13118.4553 18622.4718 15348.7807 50539.9695 47097.1213 30135.1964 106837.3759 218678.1459 91298.8357 90815.1739 34372.6240 76293.2599 20626.8367 43777.1963 23311.5730 26299.7746 14361.4381 20422.0184 21093.9666 11636.1238 30910.3394 11945.5333 12743.0476 24506.1131 PC-pmg(34:2) 13C1 [+H] 110445.6615 91346.3698 55424.2536 24528.6742 46023.2910 41160.7091 26761.9596 13910.0786 12755.0613 39643.5242 51842.8297 36666.9685 97764.5175 114632.2681 28755.5032 44140.1661 15792.6951 15796.3902 17204.4235 23560.9117 21271.6893 48366.4073 99286.7064 47214.7344 41333.1880 35439.5339 11996.3866 14074.6771 PC-pmg(34:3) 13C0 [+H] 186398.2288 213714.5307 107465.4977 59851.5094 97811.8953 87622.0244 25236.9829 28000.4295 60579.6166 16762.4089 11071.9732 21083.2375 18440.6503 12718.2354 30866.4800 16718.1632 30515.0667 26109.7582 47450.5370 57989.1062 38362.2013 61402.1850 66825.5557 185073.0054 213994.9293 42168.7973 19453.1865 20038.0628 71644.3146 38846.7145 30280.9496 80196.3367 24806.4647 12479.6434 31304.1654 27952.7248 23263.1916 62687.9925 13780.4299 11163.0607 20471.4584 52995.8448 33928.6185 35951.3662 114855.9161 213036.9112 132744.1372 95670.3433 36954.6240 66100.3654 18157.2033 50102.2109 11556.1086 21429.4243 33622.2927 14289.5084 17291.6465 17726.6664 11371.6117 35613.0449 10299.6912 15517.6701 24397.1460 PC-pmg(34:3) 13C1 [+H] 88225.6200 94695.8266 46720.8133 27886.9947 42677.5398 41558.5383 26087.7903 13328.4058 26075.9411 33632.8710 81196.3584 99653.1935 22257.6937 32243.2689 39737.8421 14926.8693 14252.6062 11729.9205 28056.5118 25062.2693 16291.9029 52212.9046 93344.2790 61664.7875 44993.4486 31051.8017 16256.6466 PC-pmg(36:2) 13C0 [+H] 84610.2187 81924.1699 41330.1075 51318.9903 40452.1688 19736.9934 28428.3928 84446.1829 122219.1815 24374.1030 13773.5825 10894.1783 22549.8626 39068.3776 74631.8110 29223.4101 11476.9926 PC-pmg(36:2) 13C1 [+H] 45997.4258 57592.0379 PC-pmg(36:3) 13C0 [+H] 172353.5589 188393.3229 89580.4977 38282.3598 94086.9306 85746.9966 20713.4148 18729.0912 50884.7769 15008.5716 20236.8730 14274.5312 11454.2917 30456.5501 15089.7261 16751.9721 20151.6174 35778.0811 66613.0804 73025.7200 50530.2066 203340.3495 208746.0576 27503.5511 11739.2897 55897.2425 31428.7826 20777.2385 70590.5354 20354.2373 12961.8658 20498.5302 25669.8906 21794.6033 31186.9654 15307.3254 42259.4795 31033.6436 22456.3183 86035.2142 179143.4323 93294.8055 75162.2279 27347.6212 66845.4876 19305.7630 32111.5143 20092.7257 21649.9762 12366.3057 15754.1422 15705.8880 10656.6324 20106.2908 23052.9403 PC-pmg(36:3) 13C1 [+H] 89328.9598 87423.9224 44503.3783 18782.5738 45525.6739 38792.9999 23819.1443 30476.8463 95351.0419 100039.9612 26884.4197 39377.3129 13554.8698 11034.5392 16131.2511 21026.3702 38569.4078 84007.6993 34000.7472 PC-pmg(36:4) 13C0 [+H] 535691.1458 352978.9015 331700.9758 97271.3676 199636.4918 152965.5720 58414.2292 64873.2101 174607.1706 47710.3507 21416.8410 38608.8447 44084.7982 18929.5439 30183.8067 65750.5071 33278.9998 18103.8445 21200.5655 60435.3480 67067.3620 102324.1112 14267.9598 191433.5029 92223.0023 155281.5202 135598.3287 521854.7902 800054.9331 86418.8156 28790.9053 51659.1473 53076.9486 76324.0372 179235.9978 82393.0417 131092.4110 94574.8154 40264.3665 398300.9285 19240.0594 56177.8887 39049.2670 33478.0644 41707.2390 25412.2798 69171.8587 42491.8389 32224.9136 62146.5805 39243.0238 21647.7798 32386.5997 12887.6373 23347.7431 102095.3584 87664.4001 15277.7114 68955.3547 129526.3181 573637.2771 148049.3858 261635.3613 34808.9212 66267.2153 247446.5105 34495.4875 125067.0456 23690.7738 29951.0510 32719.2852 94656.6490 26974.5240 34018.0992 12590.3459 44642.9196 28440.6371 67840.1808 22733.1767 29389.9453 62382.8604 PC-pmg(36:4) 13C1 [+H] 250704.6331 161975.9409 157297.1810 46320.2530 97905.5545 76154.7302 28756.8016 29092.8782 82783.8386 23352.8196 17359.7069 21312.6198 14060.6020 32225.3173 15644.3082 27468.6630 33787.8732 53929.0245 92081.1143 48245.1042 72180.5410 66090.5147 247648.3993 380954.6536 39912.8688 13584.7394 25647.5598 28260.1114 35995.5457 100523.1610 38347.0597 62583.1213 46781.7934 19908.0032 191757.9439 26592.3946 19202.8571 17460.6151 19840.6464 33503.1770 20166.8794 15809.4398 28847.8398 18556.0839 10499.9040 17467.5299 48079.1032 38875.3227 32968.1836 62371.2806 266700.3088 69565.9296 122220.8328 30492.9066 120168.3910 17591.6485 59061.4026 15617.8099 15200.5801 43663.7628 13482.0943 16295.0553 18986.4375 13668.7255 32118.4236 10971.0519 14361.3465 28141.9702 PC-pmg(36:4) 13C2 [+H] 52040.7923 40917.7655 22425.9570 60001.4652 84609.0362 46887.5910 55926.0199 PC-pmg(36:5) 13C0 [+H] 315906.8880 232158.4568 219806.8803 78948.5784 96843.1388 87694.4327 40271.0574 47415.0582 114559.1214 32952.1349 13175.2242 22713.0291 26918.7081 14724.4345 21985.3522 42995.6322 24505.4154 15208.6123 18912.7180 43235.9029 47776.0777 65069.5560 81044.6580 62556.3408 69151.1304 84219.1220 282859.8920 473706.0553 60654.1452 19027.6472 25588.9767 40177.7623 113481.7273 54983.0564 97722.7124 52910.4775 24892.2200 287722.5018 16395.0020 40999.1833 20275.6907 23979.4054 27338.6534 20080.3237 42529.7136 29895.3180 17853.9210 53343.0452 27023.4541 15168.4240 24434.1256 14888.7665 70192.0237 60023.9639 53711.7625 85127.2343 368690.0871 90661.0789 176135.8259 35163.8195 126665.1781 23273.4328 113894.6069 21239.3420 33975.8395 17720.8588 78275.0218 20014.6143 19915.2922 25679.6077 21579.8394 53747.8255 12019.3175 31964.6411 36577.3633 PC-pmg(36:5) 13C1 [+H] 153048.6132 113468.0701 103337.8353 37634.2977 51295.2531 41831.4058 19548.3745 23441.2706 51661.7847 17816.6212 13652.1205 11375.2776 21420.8943 13247.1827 20542.5533 22388.9498 39490.1662 44883.1354 42315.2336 137792.9029 227598.7225 29460.1603 22951.7674 26687.2545 45675.8896 133012.3489 19697.2524 13754.2492 21042.3418 13476.9324 23381.5670 13883.6028 31426.7261 28077.7367 25040.2185 48580.3769 174149.6027 52752.9605 84360.4026 59765.7456 51489.5133 15709.2512 37885.3824 12974.0533 10349.5804 25938.4368 15210.1249 18725.6329 PC-pmg(38:3) 13C0 [+H] 44529.0708 62545.5600 PC-pmg(38:4) 13C0 [+H] 317208.9899 234654.7579 183042.1685 49474.7387 161515.2069 105258.5159 35403.7628 33549.6632 75104.9729 29203.1546 12948.5113 22807.1842 25945.7324 17602.5536 33517.9639 17129.6318 12662.2095 31353.3885 34289.6523 58009.8949 84880.1806 42151.9357 92751.2531 83299.3170 338008.2308 602986.4262 48285.8413 15480.6040 36355.4719 29375.5306 49363.6881 101890.7565 57562.8055 76197.9536 56155.8045 31890.1017 202726.8132 38939.1540 21135.9395 22098.8640 20325.8971 48729.7370 27723.6375 16192.5850 35243.3707 21775.5854 13741.2144 20421.8377 13446.2280 66186.6442 40537.1843 31708.5100 66294.5962 307810.1118 89932.6385 163223.3906 39618.3127 135511.4216 25102.4722 67950.8684 16085.9488 14223.2296 22711.9001 43300.9220 17302.2790 17866.9096 25363.3533 22109.8913 33130.6880 13281.5263 14547.5208 40483.3447 PC-pmg(38:4) 13C1 [+H] 159017.3401 116871.3989 89379.8906 27043.9779 81710.5488 52282.0966 19246.5803 17657.5674 36359.9409 12688.0044 14151.9927 16792.9552 32170.1345 43578.1346 39244.6410 165312.8691 294643.7082 25092.5157 24414.5481 29703.8780 36946.4517 33010.2247 101302.0475 19620.2850 24090.1797 13520.1368 17864.8137 31336.9988 19488.3882 15950.8376 35894.7136 154056.7665 78138.0722 63516.2350 33684.1118 12392.1893 20767.0225 13944.2183 11814.9443 17231.7423 19830.2348 PC-pmg(38:4) 13C2 [+H] 71709.0658 PC-pmg(38:5) 13C0 [+H] 524358.0921 438548.8093 392005.1812 114484.6120 252710.9258 200107.3284 21225.1411 72629.3948 72403.8074 163428.2243 56844.1969 25431.2410 43065.1767 45115.9029 22586.5130 37127.0571 69095.4891 44232.4655 20201.4181 25439.1551 61102.7093 67921.6405 94531.8732 15034.2769 190320.2523 109341.8633 179966.5270 158188.3565 621821.9530 1002396.0290 76067.5730 23594.7141 63324.2231 55769.2081 99637.0339 266790.5909 102253.3466 157604.4349 105994.0850 53941.1486 490881.2593 19519.0736 86749.9350 40493.7836 44009.0614 48108.7150 30171.7857 73930.7826 50564.3927 35107.4583 64944.5817 50442.6901 25410.9212 35277.7566 15630.2093 27737.5462 138795.9909 102635.8426 15030.8873 64021.8170 152923.8898 627467.8530 153819.6054 299139.0354 33879.1649 75774.0436 259097.6518 42239.6011 148246.6900 26716.7133 41992.4293 39545.8083 96185.9393 31638.7149 32425.1176 13671.4597 46154.7954 38973.7739 77013.8595 20428.3291 36620.7485 72438.6828 PC-pmg(38:5) 13C0 [+Na] 61521.5727 43519.3706 PC-pmg(38:5) 13C1 [+H] 259488.9784 216580.5802 197826.4372 56266.0779 129403.7769 100169.2272 35373.9967 34319.0397 79916.5287 27689.0501 12506.0514 22096.5408 22369.1676 18001.2644 33496.4453 21323.2505 13693.2703 31098.3417 34426.0565 51019.9984 93996.5498 54681.0849 85769.0011 80675.4363 304238.2469 500108.4533 41698.4803 13544.2522 31185.3925 32602.8401 47923.5748 138412.2924 50768.7391 77498.3052 52997.9837 25723.1785 245355.1332 42762.9182 20024.2724 22486.3491 22833.9590 18098.5624 36466.3196 25678.2712 16919.5220 30185.9266 23877.0327 12349.9088 18027.2872 14272.6986 68293.8381 50113.5599 32017.1196 74997.6409 302565.8814 78024.0291 151489.0824 39375.2283 126626.1845 19890.5034 74140.0870 15399.1107 20098.1308 18986.1505 46611.3360 15396.4125 17468.6960 22942.9418 19375.5767 38377.8119 11305.5071 18160.8465 33561.6632 PC-pmg(38:5) 13C2 [+H] 57945.4432 48165.7565 46152.0374 25541.7615 20385.9437 65448.8738 107915.9948 19881.3820 54309.3487 18099.0946 70080.5266 29888.7668 PC-pmg(38:6) 13C0 [+H] 136602.0246 144958.4397 132126.1093 37327.0900 65879.1621 58734.2940 27823.3704 24127.3751 59772.4226 22964.8135 13178.7141 14822.5833 12793.2852 23599.8665 13683.9660 13948.3777 24156.9434 21499.8050 36270.2314 55649.7359 62438.9456 44595.0820 224774.8100 250889.6453 25652.0327 28702.8609 26584.9714 58535.9967 150795.2236 24536.7446 13787.7016 13753.2861 18120.4305 19281.0951 21911.9558 15894.3799 14347.6717 37522.5888 38308.4464 22556.8886 73169.9115 193045.0709 59471.6520 112470.5373 28147.7425 79514.1830 63967.2885 18603.2582 13441.8844 38288.6931 12165.8115 16050.6214 11731.4738 27756.1902 15768.2397 24200.6490 PC-pmg(38:6) 13C1 [+H] 68449.3914 72273.9211 62562.0911 30332.1771 29540.9401 13018.5322 114336.5327 126284.6866 29752.7615 76986.7229 12556.0994 19453.3488 19133.7843 37736.5911 92458.4474 55495.1454 41489.6457 34327.9823 19170.7380 15406.9695 PC-pmg(40:4) 13C0 [+H] 59919.8570 46361.8417 40498.4837 24194.1841 61524.8556 146058.0313 PC-pmg(40:4) 13C1 [+H] 79138.1488 PC-pmg(40:5) 13C0 [+H] 88626.7523 75775.5991 50793.0460 56036.7441 40301.1962 17749.4406 11875.6704 29934.1518 111091.7190 257867.8231 22158.6790 25150.0424 52487.2418 18138.9794 13519.2082 27857.2795 17069.2787 83239.3201 47881.3422 39761.8518 PC-pmg(40:5) 13C1 [+H] 48052.3579 44045.9164 59065.4127 130383.0383 PC-pmg(40:6) 13C0 [+H] 71323.7345 75665.8429 65979.2124 50860.8760 35676.2560 17073.7204 19774.8406 120507.7128 196956.5991 19198.1706 26516.9798 57394.2171 15205.9375 23716.5624 19240.6102 34726.0289 79780.2049 53021.0244 39391.7047 29538.7405 15663.5204 PC-pmg(40:6) 13C1 [+H] 61471.6892 103804.2358 PC-pmg(40:7) 13C0 [+H] 46929.9915 49221.7442 17576.9633 133177.0514 90029.2589 54716.8519 37817.5139 56452.9078 41968.4402 PC-pmg(40:7) 13C1 [+H] 66755.0560 PC-pmg(42:1) 13C0 [+H] 23056.5574 PC-pmg(42:4) 13C0 [+H] 76075.5889 PC-pmg(42:5) 13C0 [+H] 56982.1968 43463.3510 38222.9713 28569.0017 60845.6068 176682.2205 19397.2197 PC-pmg(42:5) 13C1 [+H] 88633.3601 PC-pmg(42:6) 13C0 [+H] 45524.8784 46894.6164 130271.8379 PC-pmg(42:6) 13C1 [+H] 74775.6523 PC-pmg(44:1) 13C0 [+H] 21124.7280 PC-pmg(44:5) 13C0 [+H] 73657.2809 39998.6188 29194.1142 54353.4386 188038.7230 26158.1333 PC-pmg(44:5) 13C1 [+H] 103890.9815 PC-pmg(44:6) 13C0 [+H] 55747.2954 37246.1247 48765.5344 146351.9544 19975.8835 PC-pmg(44:6) 13C1 [+H] 86644.1989 PC-pmg(44:7) 13C0 [+H] 56028.9283 PE(24:4) 13C0 [+H] 51175.7853 80106.1784 26100.4854 94777.0164 35386.5077 PE(26:0) 13C0 [+H] 37212.5534 PE(26:2) 13C0 [+H] 19962.5954 19507.2094 PE(28:0) 13C0 [+H] 38465.0163 13745.0650 13565.8705 PE(30:2) 13C0 [+K] 47623.8214 PE(34:0) 13C0 [+H] 56222.6511 PE(34:1) 13C0 [+H] 46851.9777 PE(34:2) 13C0 [+H] 60965.9048 54843.2420 14872.4102 PE(34:9) 13C0 [+H] 52989.3602 64899.3130 39716.3579 31631.9617 320545.8587 64909.7748 137255.8430 28810.1417 126790.9105 18228.1409 47291.1234 16066.2558 40024.9544 68587.5951 26543.5654 213222.3430 22886.6460 68241.1352 22232.7898 40422.3404 29314.2623 99259.3164 37124.8810 189308.1015 52671.6969 43870.8288 28668.2561 144354.3720 70521.5807 66085.5522 16822.8469 38357.0986 48836.5292 20430.4249 134364.1016 30267.0833 26004.9480 73164.5801 94832.2134 116155.1581 26242.2758 136715.9745 120224.9934 65609.0435 33351.0506 94081.3531 74809.8385 49957.0489 14005.9749 53717.7868 20377.7630 19504.2529 72313.3203 60789.2333 23956.4247 120956.6876 32083.3291 84373.3785 98891.2859 104608.0879 115928.9438 36984.7969 131166.7291 28761.7611 71771.1711 12264.3753 100751.4424 17884.8836 68502.1340 17052.6572 138041.0427 14810.8310 34613.3865 80931.8123 66525.3603 61410.7858 27950.3655 PE(34:9) 13C1 [+H] 68654.4519 16963.8972 43436.0747 23478.0985 38556.0858 31060.1192 20267.0190 25217.8124 29231.0802 24712.8508 16435.8332 20521.3548 26627.4123 24894.7908 17479.1891 29525.5874 17325.9238 14503.8365 15929.5906 PE(36:0) 13C0 [+H] 54679.4697 PE(36:1) 13C0 [+H] 121586.6095 158219.2099 86852.8983 34824.0841 46005.4897 48208.4769 25681.0510 17919.5344 10655.0159 26269.2056 13269.6598 19446.0563 19156.0895 32644.8586 40623.8347 37123.9065 64997.2478 51978.1873 69092.1876 220919.2492 21553.4530 11675.9094 66704.4093 23235.5902 26478.8295 35560.7246 18788.0462 75799.7061 12991.1645 16421.6049 27077.8216 19286.8281 20842.4550 17150.5068 29316.9898 171334.0555 53594.9956 59271.1836 68524.8742 49112.0132 27084.0066 15069.7806 17511.6728 21368.3774 PE(36:1) 13C1 [+H] 51941.3859 65373.3309 41768.4847 98348.6163 28607.3853 73008.7090 33487.0103 PE(36:2) 13C0 [+H] 105642.4259 274304.2056 158478.7843 29046.0741 77089.7801 57376.1059 34591.1059 17301.1945 32639.3729 11402.8631 34206.5866 15388.8997 66207.1179 25782.4063 34056.8461 33553.1399 35492.1232 61536.4238 40476.6703 66971.4787 87099.6760 160284.7707 334580.4054 27927.9838 21155.3753 29530.4901 36893.1361 23077.4648 47119.0493 43479.8354 36051.4803 118761.7392 15717.6661 35801.5226 18546.9794 20186.1818 18870.4530 55629.0441 13859.4441 11179.1831 14127.3178 27716.4134 57594.2205 15838.8095 21451.3053 46732.4706 244983.2744 108430.0614 131174.0707 28464.0966 68564.6302 93960.2022 81594.0177 11929.5259 49634.8941 30976.7541 16710.8694 24925.6772 14883.6349 14440.4559 28423.5466 PE(36:2) 13C0 [+NH4] 121852.3816 PE(36:2) 13C1 [+H] 50942.3651 116749.6422 67310.3650 35695.9795 28201.6009 15024.3893 15734.9010 29143.3081 15373.2025 14560.3098 37260.8460 67339.5798 142882.6076 23237.1518 18828.7881 50652.7315 16665.7277 25169.6327 24373.6972 104325.0824 47896.7918 57694.2407 30398.1003 41782.3888 36133.4557 21651.2893 PE(36:3) 13C0 [+H] 56275.5580 27950.0105 15300.4484 PE(36:4) 13C0 [+H] 68048.9115 PE(36:6) 13C0 [+K] 44021.2078 79933.8304 31021.9979 56841.0174 61363.8988 41393.8760 27197.1869 PE(38:1) 13C0 [+H] 141139.6863 120070.3296 73304.0444 40793.5948 62973.5944 46269.9879 26564.6422 16322.5977 17760.6409 17765.8015 16466.3952 50798.5079 61244.3785 52161.1366 54942.9207 213488.8939 11695.1254 55979.0205 28426.3691 24158.0725 36175.9516 17187.0465 87276.3543 15558.3293 17957.9804 10555.0567 23444.5962 13940.0441 27141.4396 21286.0366 15830.9377 37372.4199 195317.1002 59461.3939 52671.9597 74122.7554 61637.0084 19662.0590 14162.0296 17123.3897 PE(38:1) 13C1 [+H] 58648.5500 54986.6012 35665.1779 21779.3625 24810.9227 26953.0656 95271.8862 26505.5020 40570.4177 80281.0952 31107.0746 30980.1532 PE(38:2) 13C0 [+H] 380157.7533 392705.9386 239382.9718 79736.8638 242380.8364 125366.5476 64397.7317 32268.6122 63906.0987 22730.0250 18938.4707 30032.6034 23873.4727 18790.7520 56864.6042 32242.0988 18520.8554 23305.8440 55796.5704 49742.0263 36675.7809 11512.9437 14124.6115 169360.2742 67377.0951 105012.1968 120781.1947 217862.8264 640499.7699 36271.5004 43619.8734 31671.8975 42749.4311 65737.8782 130466.9077 48449.5235 86787.4377 77168.2149 53759.1137 229574.2337 13415.1201 35904.3519 16064.0549 21293.4103 28341.4353 23098.0547 44057.4568 35927.7183 15824.8794 71344.0703 24837.4011 20599.9841 31680.0002 23112.5806 65186.3688 88129.3649 15787.3095 46394.2449 135317.2342 549299.2430 212903.8919 192290.1533 29907.0733 99878.8589 219762.8089 25881.7755 141797.7176 20798.2788 18260.7416 26216.6344 57101.9569 17314.6097 30976.7494 14844.4420 31223.2470 29741.7117 32697.6871 15443.4906 24953.3695 45329.4226 PE(38:2) 13C1 [+H] 173580.7965 182949.9163 108148.7713 37375.3269 112360.1285 56910.0312 29865.7169 16321.5777 27785.6369 15295.6137 11361.9917 25692.3217 15391.9428 26808.2825 23639.5272 78389.1773 53699.8514 100404.3456 296250.2499 18852.5729 30659.8286 22325.0693 39076.0964 37572.7992 25322.3759 105120.6131 16503.2251 13348.7291 19870.7192 16211.9020 32106.6073 12671.6090 10087.7296 14876.1937 28419.3338 39384.4636 20628.5165 58557.7222 248908.7118 97922.3685 86153.4500 42516.5488 101223.5284 64533.2198 12740.0033 26253.3697 15337.8113 15372.6849 13705.7519 16041.8943 19947.9241 PE(38:2) 13C2 [+H] 55427.4010 PE(38:2) 13C3 [+H] 479900.2842 169133.1404 265679.2638 127395.3314 141257.5789 137960.3758 87478.6133 94861.8693 90513.5988 95392.9693 77681.4416 508297.6198 526656.9655 100610.1958 174669.4100 358763.7235 80801.7094 104280.8057 89020.3271 99805.1134 85472.6512 142100.5868 80858.4469 87326.9171 103619.1800 99711.4871 58948.3621 PE(38:3) 13C0 [+H] 62164.0112 85552.4017 41097.9042 26761.2293 27716.3883 54124.3890 106684.0901 21346.8051 82073.3712 33608.0830 PE(38:3) 13C1 [+H] 42438.4405 PE(38:4) 13C0 [+H] 54917.3772 113304.0673 101305.3811 30382.6084 30829.8938 20785.1035 19561.1503 11605.0621 22863.3019 18042.2915 42267.6303 20154.5151 24566.0343 33781.3924 38485.8296 12256.6488 64928.8247 109883.2589 298011.4675 24093.7670 53054.8025 35718.7081 23379.0639 33948.0590 149967.7266 18823.0294 14902.6640 15107.7154 13606.5710 33699.2752 15449.9983 30337.4413 39529.2544 17790.8283 146598.6445 50991.5845 69924.1334 63773.9005 83958.5945 12870.1298 57602.4402 21426.9527 13035.7560 19376.6794 21440.5456 PE(38:4) 13C1 [+H] 58304.1296 50207.4902 11582.5189 22160.7217 12768.3620 15945.4631 33001.3803 57315.6501 136751.8192 25991.7756 68053.3488 15485.2919 19083.7656 69030.7243 30798.3230 37460.0503 26379.0560 PE(38:5) 13C0 [+H] 64251.7489 PE(38:6) 13C0 [+H] 68122.2664 30831.5678 PE(40:2) 13C0 [+H] 52204.4235 53940.8396 60447.7994 58421.3650 PE(40:3) 13C0 [+H] 92985.3115 75932.9682 46574.1107 22409.5935 40729.9564 28406.6371 32608.3822 53627.3958 107442.2412 26616.1341 43286.7297 95821.0216 39278.0153 40711.4242 27916.3768 PE(40:3) 13C1 [+H] 49641.0585 57250.9423 PE(40:4) 13C0 [+H] 156153.7148 109151.7110 114894.7111 31813.3306 81451.9678 41614.4443 33920.7594 22885.8511 21927.8566 15198.2711 14748.0831 13989.5120 26468.6107 21377.7734 64785.6554 66387.6261 78331.2960 404220.1560 62704.0987 43847.4092 29071.9688 36366.2934 18213.4798 164857.9420 23137.5633 15167.6475 17174.1582 14121.1090 22388.8948 16207.8602 10062.4761 13899.8562 28742.9695 35582.8774 22619.0611 32788.8311 256006.7725 47732.6619 70451.3641 30557.3514 125853.8955 83408.1603 16603.6052 28285.6652 16654.5618 10920.6225 18679.3207 14371.2752 21511.8807 PE(40:4) 13C1 [+H] 78165.1161 56245.1361 57365.2009 41405.8365 13764.9253 33907.1923 50470.0913 197173.9407 29897.4192 21745.5131 76784.8036 19359.2983 121450.4445 58929.3610 42765.3072 14547.1741 PE(40:6) 13C0 [+H] 43181.0019 73837.3295 48064.3394 43892.0933 PE(42:6) 13C0 [+H] 72484.8237 PE-pmg(26:0) 13C0 [+H] 34923.1584 PE-pmg(26:1) 13C0 [+Na] 27325.4315 31068.9868 34357.2386 75314.3373 PE-pmg(26:4) 13C0 [+NH4] 82436.2921 218680.0021 190773.7969 249117.9028 109006.4728 67528.0378 113663.9869 228331.4317 169609.3002 15876.7946 20276.8177 88794.4700 171038.7052 110993.2196 115134.9289 81432.8381 237363.5727 266392.6020 43265.9903 61400.6420 121353.1594 259385.7321 14141.1959 405006.7269 141651.5719 119078.7256 245451.3222 179646.8297 252840.6187 210892.1370 15388.2749 PE-pmg(28:3) 13C0 [+H] 21947.3805 19040.5710 PE-pmg(34:9) 13C0 [+H] 86777.3513 63029.5675 54113.1590 28861.9282 27489.1040 29215.5292 119340.5283 38524.4998 20297.7116 32341.7199 40205.6709 45293.3143 102470.0866 44861.4359 18626.7673 43365.4402 86682.3496 30241.9356 26198.3208 51898.0298 40713.7612 34723.8675 48134.3924 23978.4584 70149.2513 33447.9414 30048.6668 14049.5986 25121.2525 24803.6741 26305.8800 49233.8355 36176.4778 27130.1321 63240.1568 40173.8396 112965.1178 44485.4070 36515.0264 65325.4878 20175.9363 59561.0593 21961.5908 31261.8348 56695.9514 37591.7959 30265.4037 PE-pmg(34:9) 13C1 [+H] 28941.7476 21473.3220 13416.6854 PE-pmg(36:4) 13C0 [+H] 38611.9315 75094.4524 56265.7876 14483.7346 27746.7651 19840.2672 PE-pmg(36:4) 13C0 [+K] 25815.1375 PE-pmg(36:4) 13C0 [+NH4] 80065.6535 99630.2380 88558.0099 40313.2310 34702.3254 41658.8420 56601.0044 57426.7116 29373.0424 118351.0165 113442.5283 20339.9712 33703.7138 100978.9791 88284.2445 48140.8312 131856.0327 73005.7989 62997.0975 89125.1655 PE-pmg(36:4) 13C1 [+H] 44122.8191 PE-pmg(36:4) 13C1 [+NH4] 44756.4863 24038.5876 50401.6185 52635.4562 43017.6178 43028.9457 56979.0986 36551.6906 37181.8132 PE-pmg(36:6) 13C0 [+K] 95542.8877 44786.9470 53715.7184 22526.8112 46910.6639 33845.6432 47391.5536 58667.9864 59643.2026 13522.0389 26152.4299 60738.4314 69300.2139 33150.6941 56782.0853 53314.4175 59687.1762 PE-pmg(36:9) 13C0 [+H] 23542.9520 PE-pmg(38:4) 13C0 [+H] 79142.7752 57016.6756 14823.7316 17765.4790 11559.1133 11287.5786 27243.2326 13718.1987 17266.6275 27244.7933 13253.3346 109505.5319 109466.9056 56501.8625 12712.2362 16483.7702 14778.2422 31321.0771 28068.7243 20451.2753 60133.2227 52139.2579 58336.7842 31166.7617 25104.5752 35162.0226 16438.3312 17418.2462 17598.9693 PE-pmg(38:4) 13C0 [+K] 11052.4643 13385.3266 28070.0727 PE-pmg(38:4) 13C0 [+NH4] 58342.6480 51056.4879 30918.7503 65706.4839 66387.6513 12044.0899 57650.2525 51535.8680 71803.5333 42158.5359 37980.0009 46376.8490 PE-pmg(38:4) 13C1 [+H] 42434.0391 57152.3335 58979.3773 16060.6253 18373.1662 PE-pmg(38:4) 13C1 [+NH4] 30001.6730 PE-pmg(38:5) 13C0 [+H] 54493.2809 42872.0421 81831.4915 64926.4433 18220.1433 21909.1484 PE-pmg(38:5) 13C0 [+K] 86521.7769 58955.6133 38884.2451 47113.0171 61895.0146 60467.2865 67261.4134 48019.2816 PE-pmg(38:5) 13C1 [+H] 44709.0154 PE-pmg(38:5) 13C1 [+K] 28956.1769 PE-pmg(40:4) 13C0 [+H] 64938.6536 PE-pmg(40:6) 13C0 [+H] 47120.9007 PE-pmg(40:7) 13C0 [+Na] 45410.8481 16545.6430 PE-pmg(42:7) 13C0 [+Na] 30337.5560 PE-pmg(44:0) 13C0 [+H] 22960.6263 PE-pmg(44:8) 13C0 [+H] 129527.4644 93666.2672 54347.0332 25465.6416 74923.1502 31547.5963 58564.9527 61896.2425 46015.7834 70321.5582 74152.1959 72844.4604 13153.7945 42990.2383 75025.6548 48009.8351 45754.0083 93719.4679 47475.7311 72099.7783 PE-pmg(44:8) 13C1 [+H] 50193.9588 41178.7180 24718.0219 40187.8925 52229.5048 37120.2271 PG(24:2) 13C0 [+H] 18127.4318 PG(26:0) 13C0 [+H] 36682.4451 26562.7038 PG(28:0) 13C0 [+H] 71895.9549 65215.9598 PG(28:0) 13C1 [+H] 28004.5574 PG(28:3) 13C0 [+H] 96864.7018 15849.6573 20104.4796 PG(30:0) 13C0 [+H] 48883.3568 41270.9294 PG(30:0) 13C1 [+H] 19054.3521 PG(32:0) 13C0 [+H] 32795.9211 25941.7088 PGA2 13C0 [+H] 60219.4354 78947.0245 59292.4765 PGD2 13C0 [+H] 23072.5653 PGE1 13C0 [+NH4] 19546.3062 39165.0185 22298.8905 43790.4234 36305.6888 23566.4262 26188.9482 20456.9991 140578.5405 34614.4494 34097.2546 PGE1 13C1 [+NH4] 29020.3162 PGG2 13C0 [+NH4] 34381.9142 PI(44:4) 13C0 [+H] 72544.8554 PI(44:4) 13C1 [+H] 46428.5160 PIP(47:3) 13C0 [+H] 114699.4930 559518.2103 268476.2797 51995.8411 47632.7865 130151.6861 139556.9064 136905.3064 34305.4612 439531.1075 496213.7503 29120.8137 46270.6434 508572.4776 102000.4030 57380.4473 612269.0857 165635.4630 181148.6778 422453.5200 PIP(47:3) 13C1 [+H] 203070.7452 97849.8086 44871.6530 49599.0389 50959.9139 158405.9755 172812.5134 184075.5333 221415.3451 57187.4780 64786.7338 151176.5374 PIP(47:3) 13C2 [+H] 49824.7578 42430.4523 56326.7791 38032.0362 Polydimethylsiloxane(C10H30O5Si5) 13C0 [+H] 906884.2285 702962.0379 896919.4870 500471.7790 583141.4693 479132.3600 2920943.6460 1865920.3780 908614.2108 548933.2052 591895.9954 518163.8357 432572.4496 376300.6528 479666.9531 208162.5427 304100.5469 234094.4345 227156.7604 190714.1904 322071.6195 301172.5119 268780.1214 518660.3581 497862.1435 168168.4112 154053.3237 320929.4566 320096.4220 875938.2878 843383.0006 949462.9306 962650.0417 564549.1046 537965.9298 488610.1142 466443.3143 943043.8534 1850533.3620 933311.3639 645427.4119 490467.6050 444499.7842 694041.8580 523685.9465 410934.9375 530453.2001 236834.8504 227822.5958 212926.1805 239394.9841 288720.0140 206223.6039 195593.4176 266849.0305 235203.0590 293724.5398 314916.9598 420370.9585 456510.7871 430007.2514 314652.5485 615501.1797 181298.3805 174333.9671 321721.0477 332795.0972 285628.8870 1107929.2300 934547.2259 1081978.7120 517039.9304 510173.9280 848402.7887 789019.7880 502705.1808 406638.1581 466088.3323 458491.6493 493837.2888 221758.2347 222791.0943 414587.5741 197222.0844 262649.0761 245061.9074 237766.7275 502206.3530 377615.3664 370287.2193 278146.3168 239448.4714 324012.0353 240033.8363 264751.4097 Polydimethylsiloxane(C10H30O5Si5) 13C0 [+Na] 43643.2885 33855.4382 13771.5086 32879.3852 Polydimethylsiloxane(C10H30O5Si5) 13C0 [+NH4] 167479.4908 118346.0947 159975.8489 83389.7587 101322.5784 86481.1332 610296.1468 389042.7829 170281.6165 95979.2270 103439.9792 89336.3940 76027.6676 66313.6948 83306.4251 30134.2495 45264.8884 33198.7667 32105.2612 28029.2400 48756.5711 45871.2210 39863.7064 87180.2446 83972.4703 25535.2415 23936.0063 51162.4910 51836.3889 168393.7660 155197.6054 177511.4523 174117.1903 100665.0755 94817.1100 83187.7756 85742.8036 185708.5249 382778.9863 172638.4151 110801.2180 93410.5124 77909.1009 118419.8361 90041.6990 72760.0843 93203.1836 34094.3518 32634.3019 33465.5096 36267.0984 42286.1448 30690.4169 29960.3338 41490.9408 34837.4181 44379.9875 49512.6613 67633.1394 76544.5924 67004.5772 51027.5774 88714.4818 28062.1093 25797.3881 53429.5704 56372.1461 46404.6897 193390.8787 171445.5330 194663.9271 86155.7633 91616.8194 156357.2786 145438.3862 91680.2748 71859.1119 80418.1105 79737.5483 87185.4125 32878.5964 32510.6629 59661.9974 30228.2994 38636.7129 35569.8024 36311.0112 84531.5134 60823.8725 59853.4408 42000.4967 33696.2669 49800.3122 33908.6950 39152.2556 Polydimethylsiloxane(C10H30O5Si5) 13C1 [+H] 92277.2982 84597.6202 51212.8761 58294.6402 45607.2547 281430.2353 175400.9462 84844.8638 50517.8032 56785.5911 49311.6597 40405.8109 35807.1710 45721.8863 21510.7908 30909.6893 21564.3068 21625.6873 18440.3430 31752.4061 28949.4872 26325.8902 48935.7530 45986.5750 15916.0830 30984.5692 29323.5866 84503.2302 77810.6742 88438.2845 93743.7894 54495.8819 51567.9767 50566.6518 47149.3362 86959.9609 174084.2432 88102.8427 63355.7802 43285.2439 63560.2788 51820.4134 38362.2833 50926.4770 23205.9814 21184.7157 19947.6445 24650.0242 26454.0482 20263.3753 18960.9353 24907.5917 23196.7640 27801.0375 30746.8812 39268.2955 43588.4093 39850.7464 30246.0100 57662.4093 17311.0782 18695.0455 30703.7856 31614.4483 26495.1868 106289.3074 86067.7120 100606.1621 52860.5341 47364.4938 82071.4329 76283.7633 47451.7733 37145.6435 44596.2542 43288.1825 46194.1120 21222.9254 21803.8925 39876.0507 18215.0254 24587.5781 22774.6600 24128.2430 47223.3601 35973.0988 34538.3226 26155.4190 23142.6468 31166.1913 23705.3244 26019.1475 Polydimethylsiloxane(C10H30O5Si5) 13C1 [+NH4] 58788.7332 39915.8739 17602.9862 18150.0580 37200.9175 Polydimethylsiloxane(C12H36O6Si6) 13C0 [+H] 247075.1022 212908.6643 289151.8122 422776.7425 312575.5056 195808.7490 265720.8704 209284.9676 241459.7677 343687.3910 381149.0518 298356.4473 365513.3864 193086.2632 271698.6489 180508.6112 309564.7564 184732.8787 264546.9915 257865.0427 218921.1990 412516.3396 261505.0990 204489.8948 205001.3514 275915.5059 243720.9975 307352.4894 297024.6623 247494.7970 239617.8774 258229.3123 290995.2342 267067.6531 506751.8147 349586.9957 141762.4817 183851.2833 242763.8339 268973.4216 433390.4425 201305.4256 259315.0757 506299.2405 445462.4350 211227.1611 351503.3613 289960.8762 371024.3759 141175.4301 345714.5573 254646.2815 292795.1598 149047.6289 258859.8418 368402.4300 198443.3163 206253.2360 361406.2856 243342.5223 383360.6347 312536.4784 800637.6814 234629.4340 245770.6960 266051.9623 236024.5554 332653.7467 341546.1397 240419.2493 287191.3841 466438.8589 313708.2246 251779.6875 262872.0440 229050.9865 189667.8803 254033.7436 206772.2292 255908.5944 248682.3300 253410.0078 241292.9363 232295.8047 244830.7256 404467.2068 293113.8922 254199.2061 328580.6412 303593.4615 382614.2827 493635.9152 392285.9607 434461.6235 480252.1500 Polydimethylsiloxane(C12H36O6Si6) 13C0 [+Na] 10723.0935 35026.6623 11999.3763 14341.5400 11546.1303 12893.9875 Polydimethylsiloxane(C12H36O6Si6) 13C0 [+NH4] 484137.4274 403109.2982 549971.3348 877301.8050 635498.0917 404748.2680 555614.5322 458690.3477 481730.9784 723720.1777 822900.7958 623653.1348 756573.6395 401966.1391 568722.4874 344431.2768 611190.3413 353563.1817 495467.6477 486079.5476 429760.1807 818150.3280 523755.2874 417023.1691 425387.8147 502908.0876 444707.5198 578704.8194 554827.0410 497745.8771 466686.5274 511168.4325 578063.1237 553036.8972 1011189.4910 704371.1446 291674.1891 368168.0241 539626.6372 511334.4192 913896.8625 404028.6248 559094.1217 1068288.7460 931545.6188 422186.5485 749487.5561 560240.5494 708561.6479 268700.1166 681558.5218 495726.2609 546148.3902 286627.1879 516090.4213 725426.5642 386829.6826 411912.0658 727409.0297 509214.9542 757972.8044 581299.0158 1426876.2440 419857.9379 438966.1617 493897.5016 457219.5712 567101.9559 665032.0202 482740.8294 560538.6996 954103.7376 639441.7673 473499.0104 486629.4766 480594.0266 392625.6803 521550.4874 443378.7107 536490.5337 456432.2161 484180.0631 461427.9512 431716.3111 467046.0741 800956.4167 572352.1488 528047.6400 690309.5379 619050.0778 725010.4557 876206.0353 728396.5082 772598.6479 853846.8094 Polydimethylsiloxane(C12H36O6Si6) 13C1 [+H] 35048.4059 50344.5586 40348.9198 23390.6694 30349.9898 28519.8268 40315.2374 44940.6594 34851.0434 40392.8261 22633.5365 30524.6599 21016.7318 35079.1532 21751.3633 29580.7498 30354.2962 25638.9077 47457.2643 30381.0731 23241.2455 21752.9809 30688.2319 28659.8060 34851.7509 35234.3325 31917.8897 57156.4707 19418.7443 21610.8059 26677.1947 32887.4747 48868.4580 31053.5724 57972.6359 51709.6286 23669.7650 44427.7768 33407.3804 42502.3773 16674.6402 41336.4358 28302.5106 32944.4087 17216.1760 29430.4195 42540.8808 22068.0720 23725.4830 40847.7936 28605.9250 42531.7035 35557.9196 92091.6895 26950.3066 28624.8547 31018.4539 27683.0589 38078.0185 41325.6099 31322.4938 54333.5368 40899.6230 29593.8096 33550.2607 29176.4583 22385.7622 31925.5729 25827.3097 29237.7620 28425.1629 28956.6467 28040.3475 24901.9192 28749.7671 48430.4840 34482.2622 29420.5721 37641.5581 34711.7234 43996.0725 55851.0509 46734.7642 48493.0238 55567.5409 Polydimethylsiloxane(C12H36O6Si6) 13C1 [+NH4] 61231.5263 60801.0673 100614.0161 73868.1294 46383.9647 62965.6746 53032.5831 56045.8414 84197.6584 94560.9127 73012.7114 85538.8676 47899.3347 66146.4403 39443.6198 68390.0019 40521.1592 55647.1386 55410.1390 50177.9222 92618.8369 58665.1131 49057.9434 49173.7583 55995.5780 52127.6222 63378.5694 62085.1490 58189.7912 54714.7870 61275.4000 71462.7574 66517.1510 118169.3592 83277.0994 35291.6976 42748.4788 63145.8428 58183.2042 101562.9914 63633.4237 121056.5227 107576.0356 50906.2818 88079.4220 62266.0820 81939.5341 31032.3914 77789.1480 57226.2430 60929.8007 32061.2000 56665.8553 83365.7581 45507.9977 46947.3533 82684.4688 58692.6352 84063.6791 64372.6729 161382.4074 50040.2970 50277.2943 55929.8285 54006.0245 65576.9075 77879.1872 58250.1747 68824.3496 110863.5967 77391.6895 52861.6037 60313.8187 54772.5033 46201.2956 60836.4308 49954.9641 61088.2380 52411.4769 55630.9611 52829.6198 49174.6791 52029.2793 91612.0752 65525.2858 60445.6878 78860.9236 70510.2739 80367.9003 100820.4109 81052.9524 89840.2317 96299.5674 Polydimethylsiloxane(C14H42O7Si7) 13C0 [+NH4] 283639.3312 263964.2261 269235.4240 377516.2200 317626.9391 217071.6369 189379.5799 221407.7942 198280.1122 375704.4748 384302.3204 327204.9025 540823.4650 227816.2261 292535.4097 194257.6570 271400.4187 194938.3943 284896.4470 231000.7765 205619.0351 407459.8656 293229.9368 213178.5947 222372.1450 291266.0669 261770.7388 261205.9622 236122.8968 345127.5548 223928.4284 293907.8127 333911.2854 254099.4010 421144.3960 347601.5040 143300.4309 137640.9970 216019.3064 245726.0187 452871.0955 265399.7901 311110.6868 491125.5578 605475.2611 258808.0897 499663.6440 259291.0174 332655.5861 150335.6166 303458.8489 223528.3897 282831.1644 156769.8092 269755.9665 384439.5744 222403.7844 223074.6350 391559.0775 262373.8046 344181.9078 253780.3038 318944.1932 260928.3692 260285.8958 219346.0403 213324.7446 245490.0066 339685.3637 237788.3470 312681.7956 402438.4489 296019.1539 218199.2987 221922.8148 306175.1715 221046.4794 275775.1294 345623.5069 280373.3477 227862.1935 242629.2535 213499.1890 233012.0376 220352.2064 431806.6182 305146.9894 252777.5224 379716.5756 336645.5249 322631.1836 383657.6877 325996.4744 308624.3933 328661.6575 Polydimethylsiloxane(C14H42O7Si7) 13C1 [+NH4] 36236.9439 50435.5910 43689.3831 29753.3888 24780.5870 26593.1156 47438.1253 48748.4354 42055.2296 69667.7662 28206.8748 36421.2994 25208.6102 35313.6664 24761.4314 36652.8118 30364.0925 27416.5837 52360.8558 39237.3387 27125.4800 27620.6551 37007.9383 34444.6104 33263.1865 29522.7449 46596.7858 38402.9093 33662.9129 54372.0473 20208.9841 17749.8498 27110.1645 32138.1961 59852.4449 39418.4860 61596.2181 79491.0085 30360.6180 64500.7698 33252.3165 42022.1991 19050.0052 40024.5162 29296.9421 36294.0245 21169.0028 35496.3270 49483.0175 28858.6245 29439.0263 51248.1640 33804.9420 44031.8039 33782.7962 41636.0733 31166.4639 32922.0490 28607.0494 26084.4342 31847.3809 46168.7092 34442.2492 54926.8142 40606.7798 32291.7398 29446.3413 40327.3002 29530.6695 35799.6053 43360.8142 36298.8819 29630.9206 30325.2945 27488.5845 29990.6848 28231.3869 53472.9067 39226.8831 32824.8369 48837.1917 41302.7906 42065.0879 48831.0044 42060.3357 38563.9273 43372.8540 Polydimethylsiloxane(C16H48O8Si8) 13C0 [+K] 24595.0578 17086.2788 19299.3505 17493.0733 12616.8628 19454.7864 20773.0097 17669.1101 16022.5287 23493.7058 26408.8913 19889.7915 20619.3510 19481.5396 19550.1276 16321.6166 19021.5261 16649.7624 18182.2527 21515.4839 24933.8790 26001.7360 17008.0818 13652.3954 18136.2229 26860.6193 24608.1525 25729.3944 19006.3264 20789.3985 15076.4440 16597.4361 23252.1233 17478.9195 21647.8140 22259.8432 17590.3865 18641.9350 14739.6409 16531.3674 24133.1271 16598.8493 20328.7450 24687.1133 Polydimethylsiloxane(C16H48O8Si8) 13C0 [+NH4] 126980.1237 114463.7282 88174.6266 99032.5921 94708.4573 68197.9059 80044.8687 131937.2572 66541.9487 123147.3468 107892.3353 90168.7954 89003.8346 84758.6552 76867.3142 95956.0565 99530.7742 95762.6191 111543.8577 75906.2600 89821.4500 92511.1197 101605.4744 93552.2502 92444.8533 105634.2293 98780.4111 96245.1109 79867.3650 156335.7711 74519.9585 136754.9139 133567.2461 78677.5020 108051.2075 110624.2226 49025.4331 48428.7737 109105.6524 88422.8019 117773.9693 97823.6923 84885.6213 117022.1458 212092.2720 66257.9311 173093.5462 99551.8543 102580.8700 77821.8938 105852.1095 105826.4260 97427.0745 76189.2648 86245.0609 112352.1213 82082.6775 86906.2062 130114.5623 106864.5917 104936.5223 83039.9934 120342.9555 92111.7607 98441.8428 87819.1971 79759.0336 71499.6168 117587.1784 91804.1213 117669.1068 99946.7369 91055.1524 78571.2150 70827.9223 104493.5236 64847.2486 75637.6413 151747.1079 84844.9878 95391.3786 95725.0994 110052.9727 86986.9168 95649.3566 102948.7234 99874.1915 99690.6353 117174.8607 101121.9048 85076.0704 108550.8370 88425.9246 89902.2405 113256.0209 Polydimethylsiloxane(C16H48O8Si8) 13C1 [+NH4] 15310.6199 15670.7524 14528.1033 15035.1579 14695.9354 17120.2758 13257.1339 14282.0289 18033.0928 15319.3057 14299.6526 17221.7264 13845.2019 12775.3481 21554.2848 20973.5435 34704.3958 15301.2137 14899.3117 12769.4627 17123.4917 16351.0825 12900.6039 13652.6725 15752.7189 14425.5296 15499.4761 20217.7016 15056.5577 15563.0691 13378.1172 17711.9293 18073.2878 14273.4144 12634.5738 24722.4104 14416.4839 14322.3626 14026.0853 16034.5531 13054.6056 14815.6977 16758.7098 16774.7506 14871.2467 17016.1580 14807.8845 13289.9855 16696.2934 13210.9334 15237.2301 18427.6888 Polydimethylsiloxane(C18H54O9Si9) 13C0 [+NH4] 70915.9549 46724.6041 111884.2024 104741.8015 80906.8464 81463.3605 218772.4878 59955.6039 57564.3681 73755.7938 44715.2052 40869.1738 52290.2835 35317.9142 164100.2288 147538.7291 164541.3494 123521.6985 129560.4903 140064.0699 104985.2103 161642.0479 113748.0798 107162.1574 110962.7393 108086.7588 101521.2077 79120.5419 88981.2421 46919.2320 85638.8758 72732.5235 83287.6567 119856.6261 117929.9820 57997.5330 45673.1635 137397.7879 75491.7125 49875.8213 36225.7220 57730.1023 85968.0034 37999.8527 79464.8129 156866.3415 136405.4366 148982.5640 167247.6589 195229.8199 110336.8266 123124.5857 129914.8382 175344.8958 131785.0564 135663.0334 133604.5599 134021.6081 110381.4043 89105.6172 137360.9408 91352.6174 97175.3698 91015.8432 85507.7189 71458.0793 61682.3927 52299.5702 65941.6827 97246.6330 103561.0849 77413.7746 54327.8500 54063.2431 34049.2524 35695.4348 87053.9326 40214.4215 124610.4653 154570.1056 191895.6402 117766.4281 161264.8445 125672.8369 157312.1888 125751.3088 137118.8693 104808.9892 75579.9910 103905.8311 82592.7072 86824.1870 119195.9059 Polydimethylsiloxane(C18H54O9Si9) 13C1 [+NH4] 37266.2577 23187.1823 20605.8620 23551.3368 18046.8582 16852.6626 23968.7315 16119.0491 22794.3934 16407.5662 15808.8184 16989.7145 14784.7836 12175.2090 21517.1190 19448.4157 21973.9477 24133.9492 26211.0209 17075.8893 18405.9944 18400.0688 25933.6111 20374.3517 20182.6125 19626.8677 18397.8578 16486.0044 13816.4868 19954.9343 13475.1443 15017.6889 18059.6678 21070.5654 27101.9097 17067.7509 22573.2475 19446.0693 21869.3193 17084.9391 19390.8825 13735.7011 12859.8482 16586.3177 12407.3990 18847.2664 Polydimethylsiloxane(C20H60O10Si10) 13C0 [+NH4] 109085.0603 101666.2748 79082.7129 88291.0967 274040.9696 64044.9255 31931.7613 46683.1558 25404.8538 21271.6052 23536.9105 20334.7824 68132.6395 90536.1980 69224.9003 89854.6991 84383.3139 90939.7251 106218.4513 102789.9778 105352.5451 92450.6925 134383.8471 132129.3433 112863.9348 92196.9602 45015.3082 41971.2710 81636.6975 118557.6704 112618.4045 61880.2457 48263.1336 138610.7836 76652.9314 28119.9254 21595.7610 34165.6000 42363.5867 21966.7772 46310.5664 101701.2803 101157.7265 101349.0467 87004.0859 86922.8467 82891.6751 78628.7221 86403.8146 113486.2474 98616.4533 111301.5641 107784.7600 96304.3409 94441.3091 112008.1573 161681.1163 103263.5718 111602.8989 104178.7695 104872.0421 79190.7202 91697.7008 102753.4195 83779.8164 49676.6028 19445.2566 50835.2141 19951.8197 67882.2379 83960.4848 111632.0900 80351.8215 92874.7072 115713.3600 96993.6605 94912.3297 108118.8637 88992.8232 84485.4879 117962.0041 93718.9777 96908.7947 141531.0243 Polydimethylsiloxane(C20H60O10Si10) 13C1 [+NH4] 15605.8018 14370.4687 17479.2173 15472.4085 12618.1533 14574.7061 15609.7883 13178.0639 14052.6861 20007.1542 13639.6994 12120.3799 16730.8959 14780.1392 15767.8957 18902.1774 Polydimethylsiloxane(C22H66O11Si11) 13C0 [+NH4] 26248.0833 35378.3626 94937.3087 27332.5745 29047.5331 35179.9220 21220.1745 15388.3853 18084.4161 18136.2879 18010.7546 20083.4699 14327.8258 28058.2900 23495.4055 20992.5400 32136.0751 21225.8291 27557.8739 22196.3673 40619.2056 37766.0006 28493.0630 25782.0839 31582.0474 23949.8328 20384.9907 64170.2507 32272.0439 26708.8648 26322.1745 35525.9743 19610.8907 24249.9102 24799.7887 35367.5012 19414.6013 18918.0937 27781.9044 18576.8273 14876.9626 19157.4827 20368.1181 21572.9096 25879.4963 23229.0482 20852.6815 32080.6984 42868.8485 43669.1245 36461.6589 30743.2817 33865.4323 17932.6404 35223.1877 16867.3299 39013.5924 19365.5427 15772.8964 19478.8901 24804.3752 27540.7807 19764.2381 30996.0862 20728.7873 24676.3841 23412.5764 22533.6313 30818.4436 32094.2510 23359.1214 29952.6580 38836.6790 Polydimethylsiloxane(C24H72O12Si12) 13C0 [+NH4] 20557.7203 52354.7154 25049.5302 13879.0944 15324.1577 21587.6072 12279.4913 38743.7673 18728.9601 12712.6162 26832.6781 13096.8877 19431.6550 19938.1029 13227.2697 Polydimethylsiloxane(C26H78O13Si13) 13C0 [+NH4] 76511.7477 45297.2906 55214.7059 43260.2827 37460.7767 185533.0757 25505.0957 13635.4137 22754.4093 98451.2836 75090.1016 65601.9553 47774.8963 34114.6602 17751.6270 60433.3715 29623.8156 12131.8421 40358.4317 63566.0228 71160.9658 55368.8063 36580.2027 28674.4564 13364.0216 Polydimethylsiloxane(C28H84O14Si14) 13C0 [+NH4] 86149.6702 48609.4102 57508.2420 62356.4552 48547.6176 43228.9019 243277.4443 33054.7326 118924.3601 84969.0391 72562.8576 53333.9878 54702.7740 57689.3966 37161.0625 20184.6239 65948.8074 39166.5161 13391.0882 45241.3026 66194.1810 74954.4477 67662.9301 41840.5186 34810.6061 32242.0717 21113.9920 21884.0920 13978.1367 Polydimethylsiloxane(C30H90O15Si15) 13C0 [+NH4] 87847.4515 45754.2646 57844.2431 57673.7775 43921.9803 39415.0346 234415.9172 30633.2925 12875.4041 113774.2309 81543.1067 71998.7180 47755.0175 51594.0864 60944.9408 34274.3147 18430.3358 60464.3494 38155.1568 12850.7772 42952.9652 61283.8982 71821.9049 64308.4812 39868.1835 34238.7029 35118.9799 13442.9646 13890.1716 Polydimethylsiloxane(C32H96O16Si16) 13C0 [+NH4] 71619.9285 45224.5131 49358.3323 51369.8143 39134.9383 34054.2625 205231.8433 27271.9925 97176.5281 73076.2642 69219.2627 42397.7162 48918.1363 29784.0451 17208.8515 52530.7498 35886.1979 10446.9036 39086.8361 61599.7289 55943.9069 35652.0754 28370.6402 30243.9116 12574.9609 Polydimethylsiloxane(C34H102O17Si17) 13C0 [+NH4] 63150.8427 37575.1375 43479.8274 41393.4482 30876.3089 28364.3092 162723.6987 24013.7489 75214.5728 60273.5367 58015.8408 32633.8354 23070.5141 13940.7812 40785.0285 27956.0039 53952.9655 48875.0615 26673.0797 25111.7273 Polydimethylsiloxane(C36H108O18Si18) 13C0 [+NH4] 54683.8843 22174.3355 22691.6892 122712.6741 59605.8700 49723.4529 10992.6966 31629.7330 Polydimethylsiloxane(C38H114O19Si19) 13C0 [+NH4] 95334.9519 47723.9727 37941.4275 27630.4431 Polydimethylsiloxane(C40H120O20Si20) 13C0 [+NH4] 69867.2750 Polydimethylsiloxane(C42H126O21Si21) 13C0 [+NH4] 52094.9745 PS(24:0) 13C0 [+H] 65748.7070 62250.3668 25388.6907 PS(26:0) 13C0 [+H] 259452.3201 95029.8536 392464.1302 165663.5801 161420.0582 117468.0427 134565.6299 601040.8015 99518.5657 456778.8784 204549.5720 285777.5484 296360.3759 159034.5633 388111.6552 263959.4739 81246.3096 62580.7998 220684.4013 145659.2148 194562.7889 237415.9265 375448.8162 203715.1038 94770.9885 182087.6873 PS(26:0) 13C1 [+H] 82934.8464 129754.5826 53929.1911 54529.6755 38694.9951 45847.5789 200139.0342 32582.8043 155972.4523 73755.9337 92268.8086 97529.7376 49956.3446 125543.2444 85085.3929 26578.8887 20388.3648 70292.9201 45836.7103 62109.1389 83486.6690 124404.9605 69750.6835 32881.1244 61937.1664 PS(36:1) 13C0 [+H] 34300.7355 PS-pmg(24:1) 13C0 [+H] 19394.4886 PS-pmg(26:1) 13C0 [+H] 52758.4121 47792.0275 36809.0969 26624.1133 25051.9046 96489.1875 19256.6237 64031.3486 41329.4190 54539.0068 62523.8984 30218.5995 58640.6109 58370.2701 11345.5497 32138.9436 31477.6325 29175.2885 41732.6769 59470.9578 57755.6607 27847.9456 PS-pmg(26:1) 13C1 [+H] 35259.3628 PS-pmg(30:2) 13C0 [+H] 53112.9389 42922.8277 PS-pmg(30:4) 13C0 [+H] 260938.4089 228291.6801 639731.8138 823499.1049 368431.9771 313038.3103 171738.4936 471095.7123 357939.4720 139553.2874 234881.7358 137342.1116 117042.5391 95786.2104 134883.2903 253921.4050 207247.9941 226640.2289 182990.3556 146561.3477 110831.2291 220103.1020 179402.9607 213301.1585 167180.5806 210660.2131 169101.7602 289847.2853 227640.3622 398194.7646 436862.7215 360981.6198 188595.4945 308581.6575 1093697.7650 1044355.3640 189100.3153 179988.0907 370561.0460 392054.5144 136465.7391 104897.3927 217259.0950 166932.0607 121891.7928 88166.3095 264371.8250 189676.4829 122576.9706 117749.5574 202283.9370 84082.8970 110345.3843 190710.5939 201410.2009 179445.9355 207030.4087 176134.0609 181294.0675 163735.0203 258261.6076 236246.9695 218458.0310 168279.2725 296611.1352 218370.5226 128522.4603 567342.9074 342314.9531 157981.8854 1035598.8430 639209.7821 263900.9754 292570.6925 128246.4746 73518.5500 81956.1929 167942.1868 150446.3847 168389.5820 165458.1371 246968.1577 195293.0548 221070.5908 210749.1036 159664.8666 155397.1295 169210.8477 131533.8744 168912.5092 167751.9688 227367.8421 164267.9563 193438.2287 PS-pmg(30:4) 13C1 [+H] 62144.0434 153131.9430 199124.3373 89332.9993 72115.4603 45546.0137 120104.8568 91948.6772 32485.2560 48521.7475 28489.6458 24034.5258 18393.9584 27648.6980 52320.8540 42019.3711 49490.3902 37091.9721 29210.2752 25622.5442 46489.3173 38147.0485 46222.1532 35469.3252 44592.0845 40478.5382 58653.6223 48000.9870 88525.7738 110132.7348 82364.5353 61277.7706 71670.8025 244847.8229 242827.3353 43882.6701 41388.3052 88669.7883 107879.9106 29347.6233 24071.5662 44653.3854 38132.6342 26232.6758 55270.3645 39075.4043 26284.0799 25152.5973 43040.3149 20962.2055 23778.9480 40749.3076 41625.8577 40662.0486 43920.1475 37142.6289 37729.1086 35873.3770 53947.2937 48925.5673 43097.6923 35860.0623 59979.6428 45773.4229 28872.8643 136417.8327 85828.1382 242080.4887 150540.6980 82412.9134 79423.6857 29969.5186 33622.2313 31113.4022 37043.9492 34115.5781 53024.4699 41039.0467 46144.5087 44868.5080 35259.8488 32413.6598 36555.3114 27418.1908 35091.9146 36423.1805 46818.1992 33793.2728 40490.6417 SM(30:2) 13C0 [+Na] 91979.9753 15879.0889 19695.2196 16228.4340 130392.9434 26299.1819 14668.3322 12768.1315 SM(32:1) 13C0 [+H] 131556.9980 180166.1669 90948.0239 26964.1538 52347.3926 51290.3590 18391.8141 21217.7222 21663.0721 11151.7845 22793.4572 38893.2760 22165.5397 29700.3804 41233.0668 39979.2554 103168.4919 265679.9433 26397.1283 12041.4287 31888.3976 22445.6584 32015.9807 32437.0914 19186.6085 60956.4844 13649.7788 26077.4521 16585.4224 24336.1923 25191.4114 38008.7802 26376.2114 41362.1751 196324.4602 53554.1172 84359.2191 27408.8712 63802.8000 44281.3613 39943.7349 14287.8454 10571.1680 20498.9576 25742.0174 SM(32:1) 13C1 [+H] 53630.5456 68681.4013 38313.3418 16239.9815 45564.9302 102214.7084 16812.6952 75716.3638 28118.2276 17506.1247 SM(34:0) 13C0 [+H] 60475.6102 81687.9578 45181.0081 38811.1649 26779.7331 12389.1410 94613.8075 102850.4554 48896.4750 15199.0175 16794.1653 21875.9022 63693.2463 42657.0492 27943.6079 19999.2885 15103.0111 SM(34:0) 13C1 [+H] 50599.5579 SM(34:1) 13C0 [+H] 2051184.3220 79751.5775 2108803.9680 1100313.0160 381431.0705 38537.3311 923941.2956 26642.1078 828065.8438 51604.2571 254246.5098 199715.9208 328170.7506 144262.7004 123874.7560 134098.8040 166730.2475 79116.8267 109210.0537 254475.7633 130169.3900 101196.4049 80815.4735 268057.9479 264817.0482 338633.8318 79567.9780 70827.7709 556162.1247 131284.7608 451609.6192 532610.9833 560887.1662 1885547.0750 4122893.5090 332771.4725 96165.6828 240894.8862 157084.0143 321099.8733 772926.7999 435416.8626 496899.5271 423907.2843 212878.0458 1240350.1020 117053.0325 330162.9873 123257.0456 234516.2323 198438.5422 137763.3395 537329.6344 184973.7976 166117.7407 78031.5705 320759.4002 143718.7927 81461.8930 143855.9747 54120.6179 101420.2184 615215.8953 349678.4355 80196.8148 298170.6672 41303.0017 70215.7398 498576.9079 1989597.3440 766368.7290 1038035.1460 94304.5420 266814.9022 647859.1754 172764.6357 591449.1734 127368.7087 94983.1759 99576.5647 107650.2715 395395.6616 93976.6043 146662.2530 20755.5909 49513.8740 124989.4518 145058.9991 38909.9265 290139.5450 59918.8816 90325.7618 192981.7466 SM(34:1) 13C0 [+Na] 235124.4058 150285.8276 82175.7244 36355.1716 117186.1239 114557.7306 29191.2506 29665.6495 46857.6704 22133.7304 12816.8591 15484.4235 10934.2548 26583.6003 15110.9799 62996.9689 54130.6893 59978.4781 46481.0640 125643.9543 279208.3375 33805.2493 21134.0277 33029.2469 28997.7125 35503.9066 126593.2788 68866.0978 53052.4788 53841.4976 26379.9261 165816.7613 21865.7243 12085.6948 16422.2972 46702.0390 15999.0851 13320.8518 24413.3918 14992.2560 14750.3597 34045.5862 21691.0427 25180.7384 63311.9858 220844.9369 56779.5309 73310.4980 49955.0972 104704.6140 24680.2308 68664.8633 28943.9662 11327.0572 28409.6805 12772.0005 14093.0052 18447.8336 SM(34:1) 13C1 [+H] 845639.4053 35661.1700 865802.0932 457830.2738 152750.5236 382432.8477 342586.6179 22156.9809 103774.2731 80919.0416 133515.9171 59960.6376 52057.7068 54410.3255 69185.2174 33655.5198 45331.1871 107521.3034 52437.5644 39632.6642 34030.6453 109067.7056 108380.3295 138714.5767 30942.4100 29080.5901 225475.0143 55706.9218 189046.2871 213949.6649 226815.0953 772126.8834 1693884.4310 137408.0188 37970.7862 98460.8532 64468.9437 133358.6695 318884.7543 176902.3693 208945.7955 171808.0008 84345.9857 507098.7062 49313.6380 137466.6954 49749.1185 92788.9559 84090.0888 58818.7715 221427.1294 76736.0068 68611.0104 32799.8567 133956.2433 59007.4877 34426.1950 57238.4795 21467.4053 42866.9479 250552.4062 143878.4233 32464.7578 120878.8489 17369.8285 208561.5695 830109.5823 313296.3946 438724.8304 38340.9575 109912.1701 265346.3521 70602.0774 241338.5787 52735.8506 39319.4367 39951.9376 45022.3923 165733.2987 38216.2471 61318.9945 19721.8757 52053.2057 60313.1519 17891.7081 121679.0668 24433.2101 36602.9931 80659.1944 SM(34:1) 13C1 [+Na] 96140.9761 59055.9832 37848.5976 45649.3083 46002.4634 19912.6385 12996.6969 56854.0918 111674.3649 28236.2124 23392.9549 63458.7657 18371.3675 89470.8256 43676.9255 31440.0921 SM(34:1) 13C2 [+H] 157143.9178 162843.4567 83429.8880 28954.4440 72722.5064 63877.8988 20088.5812 16286.9224 25485.7932 14266.4319 20627.0373 33464.6387 34548.5636 46381.2801 41015.4773 44001.0464 149384.6550 310319.5308 27869.0551 28215.1629 34725.3960 39589.2316 96003.2932 27422.7865 16724.1716 42744.0250 14960.2537 14039.6887 26324.7441 12401.2852 47269.5230 28316.4053 23781.2134 42103.8765 156341.6449 65625.3898 79835.1690 50062.9863 42435.2762 30531.5905 11829.5262 21605.0319 SM(34:2) 13C0 [+H] 253369.5599 334542.0509 167318.5983 42607.4275 112281.2858 106985.2429 35959.6900 28327.3258 49544.6218 22858.9421 21499.0834 16246.3047 21218.8678 17488.4021 13877.2609 45008.7594 19633.5963 15185.0984 41002.2882 39910.5297 50172.9352 95032.4163 57845.3653 74229.8798 72895.5648 277345.7317 585663.1914 33008.3637 14267.6853 29506.3116 29444.6339 48797.2756 113955.9596 65103.4324 80500.2020 50948.3550 30688.9603 177412.6128 14494.5812 44279.2125 21728.2802 26893.6392 28120.8202 21260.7750 60189.9293 29462.9361 19309.0934 40630.4686 19553.1679 11576.1580 21020.2785 14984.5980 63383.1326 51330.8819 39483.7003 66637.6775 389790.6732 104674.2577 185084.6906 40878.6713 103765.0931 24324.3039 95884.4492 15327.5940 20605.3983 15640.4105 59183.1518 14284.5325 23320.0668 15376.5528 16781.5203 43831.4211 15624.0863 31920.1027 SM(34:2) 13C1 [+H] 104357.6659 136925.3118 69216.4618 47220.2897 43987.8187 22817.3040 9940.3032 20592.6681 17541.0906 18531.5028 41263.7204 28954.6659 116453.1121 243483.0256 21457.6090 27060.5677 31826.3888 75059.6122 17892.0727 13336.7448 25081.6649 12256.7006 17733.3847 26405.4043 20669.5748 16916.8436 29656.0930 157408.5260 71711.8999 41133.3478 40529.2070 23178.6110 17715.9644 SM(36:1) 13C0 [+H] 366122.7871 391050.8118 179093.2192 73225.0663 147598.1028 201620.0801 65075.0623 38335.0938 68775.1120 22659.9320 32079.8934 18554.5438 43188.9685 24057.1246 22091.3062 73350.7468 17368.7772 26804.4178 14570.2089 61914.1552 57583.9523 58903.6009 18049.1965 14959.0790 81085.5155 76474.1102 67617.4790 96199.0925 436872.0520 863344.3916 75407.5160 19681.3205 39774.6532 30085.3738 78096.8955 149189.8566 185941.6294 90535.2101 63587.1203 39633.9499 331832.8529 18014.0287 83415.0988 27975.2289 45895.4963 30950.2743 38400.1399 125621.7829 35265.4920 41534.2090 15789.9749 77659.0893 45330.2199 21437.0914 30861.7949 20254.5985 142609.4226 84853.7731 16838.4587 69317.7065 73176.9816 526027.7997 154875.6322 258923.9500 48769.9769 141471.7731 27472.7850 122080.1367 22069.5160 28644.0467 22063.0245 85779.7547 16997.4814 23520.0728 26144.8172 34698.8809 64355.3164 13391.2103 21068.8934 47366.4602 SM(36:1) 13C0 [+Na] 26521.8940 58746.3190 29933.4661 41336.2404 60202.5477 SM(36:1) 13C1 [+H] 159448.1908 169699.5514 76427.1072 30590.3366 60486.8584 85659.4456 29995.8941 16414.1536 30609.0497 14419.7718 17250.1636 10413.3934 30651.6302 27112.3723 23574.4539 26820.2459 37307.9408 40034.8622 191963.9732 373795.3731 31155.8044 35138.2602 80056.9214 37905.1356 18360.5717 144236.6740 36667.6723 13390.1805 14160.4588 17834.5627 55345.8777 15689.2293 17638.4701 33746.3423 18501.3880 10159.4269 60341.5275 35914.3342 29748.0873 34111.2866 228239.3009 68864.0332 110164.8936 57155.6631 52771.3056 12766.0673 37533.5749 12982.2087 15556.0886 28349.7800 20932.6952 SM(36:1) 13C2 [+H] 73539.3218 17760.1391 SM(36:2) 13C0 [+H] 195827.9977 211589.3575 96879.4147 35980.3857 85598.2588 107673.9442 31990.6696 18772.1339 38430.9474 19945.0760 19160.7692 18348.4461 11957.4807 39370.0158 15627.3519 23608.7703 27233.3201 31615.1117 51545.1786 67186.1654 49302.0768 246777.4155 506204.3106 28276.7343 22043.6547 38467.0227 91453.4176 88835.3585 51236.0958 32984.6337 24634.0535 153021.7648 49002.3134 16872.1584 22784.8793 16868.8429 22910.0494 44764.4583 23351.4504 18249.8895 35123.1527 20537.8852 11995.0440 16681.6560 60355.4129 37123.4005 27258.2356 36185.7090 358734.5195 81719.9713 141864.1979 29343.8153 75010.4295 20342.1098 72811.8309 19708.0543 11929.0499 41205.7366 12389.4050 13601.1297 14083.5456 15807.9860 34652.8268 13197.2163 27746.0635 SM(36:2) 13C1 [+H] 83906.7325 89532.3408 44010.2290 44008.8699 17779.2661 13153.2406 102371.5219 219806.6540 39312.2403 23953.6906 66691.0512 20884.4158 19291.1095 10764.4412 15930.0940 24220.2350 16169.5150 158695.7919 64207.1394 32173.2697 31918.7798 18059.9724 15653.6179 SM(36:3) 13C0 [+H] 59286.5460 SM(38:1) 13C0 [+H] 216933.7996 378286.2183 142931.2586 39350.8539 94904.4610 97721.3620 39170.2962 37965.8806 36328.7228 19159.3026 15420.4421 15904.6901 23267.4780 11065.8167 50497.3920 17216.9517 19379.6335 43425.0314 36191.1980 35607.5378 12200.5277 88386.3058 46257.4926 57496.3930 67984.3224 242640.7948 527672.2691 53523.3691 13523.0491 23857.9674 50565.1109 102812.6540 50278.8078 66286.5056 41691.3509 31241.2821 128881.8620 13642.1634 28188.8868 14086.1218 20032.5477 16879.9554 18207.1901 61366.2869 27010.5642 16525.0081 39989.2597 17655.9916 11938.3166 19349.1682 57542.1554 62451.0133 13015.5691 45605.9165 70661.4238 299277.3377 110095.6569 144396.8565 41394.3950 114842.3105 20482.4316 70478.1949 34589.4890 15848.7624 15259.9928 14730.3690 63282.8086 19837.4067 18847.3181 17037.5652 36161.0914 10779.6707 14425.0523 37019.7169 SM(38:1) 13C1 [+H] 97603.4008 173273.4270 61383.0861 19898.9698 42448.4841 44045.3527 20127.0717 16393.9101 19059.6095 11528.2965 23017.6704 18664.8299 16335.2101 29489.8858 109622.9630 246878.1710 25407.3371 24524.9450 24611.0086 30829.8330 59600.4468 13453.4427 27470.7019 13245.0868 17579.3630 25395.3357 27215.5916 20412.2942 32744.8364 136396.0425 49612.0406 58281.8661 52795.0753 33361.4857 28713.4267 16911.8453 18198.1504 SM(38:1) 13C2 [+H] 55534.4090 SM(38:2) 13C0 [+H] 106069.6759 120297.2062 45426.5858 39605.4175 45887.8184 18357.7626 20645.6094 14856.4798 31293.0495 124817.3817 267454.1181 26662.3367 25940.4795 59190.2623 16917.6374 24193.8814 17256.9269 24149.9897 20404.9193 15033.2794 150507.9275 48707.5128 60090.2595 38100.6948 32464.6134 20945.2757 15626.0344 SM(38:2) 13C1 [+H] 51414.1498 59668.3525 25277.3144 59082.1585 121276.3695 70662.0626 SM(40:1) 13C0 [+H] 404444.5114 931836.1379 360281.9576 68275.4508 228232.0650 195275.4124 81735.4723 66846.9342 87155.1464 43467.8574 27693.7310 34131.0906 43046.4211 21133.1881 26192.9080 97760.7618 44280.6700 41285.1798 16900.4385 70318.1529 66670.5747 78569.5479 24361.8768 17457.5384 228641.1540 131710.4362 127753.0408 145259.9470 521079.4588 885290.0144 103084.6354 27328.1974 55116.8423 52460.1265 93228.7469 149383.6576 82074.8068 189745.1444 95594.6460 68142.4553 287605.6355 28409.8377 55248.9860 30172.0829 44073.2470 40004.8397 32358.1858 137428.1940 69507.4682 36883.3424 16435.4183 82237.4552 34717.4604 21364.8007 42916.0508 19403.1396 20739.7460 110960.4371 112363.3080 28339.0052 91902.6240 153500.2333 529043.0864 242451.5277 321934.2487 30472.1018 76314.9253 240403.7246 55948.0944 147341.7138 72711.7653 28363.2744 27997.6493 27113.6807 143060.9313 28163.7480 47611.2919 21287.0352 38593.3368 36657.6583 15913.2791 79875.9946 17923.8173 22976.9055 61347.4474 SM(40:1) 13C0 [+Na] 21138.7946 33393.4617 SM(40:1) 13C1 [+H] 186714.0159 442253.5275 159741.1161 34568.3599 104039.9821 93340.5777 37060.0027 31042.6495 39609.0169 21608.0658 13530.3965 14577.4322 21213.2985 12796.7360 45171.6815 19023.3329 17481.6850 32996.5677 31005.8045 39516.9828 11973.2208 105232.5720 64886.4644 63453.6933 65891.3750 252347.5339 423163.0625 50800.4837 12751.1860 26662.4931 42278.8703 38373.2593 89801.8237 45158.8505 33187.9518 128709.4385 25972.6112 15335.2031 20443.9471 17216.5452 17387.6349 62561.4295 33904.2841 18363.2410 36186.5047 15950.8728 11250.7063 19353.8710 52942.2948 48615.6923 12854.0369 42019.9962 75349.0820 242395.5143 121342.3565 142217.2130 112477.6911 26627.0366 64839.8354 34541.5870 15192.9667 13148.4170 14152.3392 66018.1247 12715.9364 20568.0291 16428.4338 16997.2607 38783.6468 12248.9703 26838.0040 SM(40:1) 13C2 [+H] 98005.9647 57416.8694 93845.2613 22196.4612 14142.0844 57341.0540 SM(40:2) 13C0 [+H] 335707.7546 622787.1694 204422.4134 64878.6930 157485.6321 155407.5466 47677.5757 43312.3179 60951.0288 32724.9942 24642.3842 21403.1672 35633.8712 14326.2813 16212.8898 69890.1698 30483.2892 24586.0609 13688.2528 47450.4397 51670.6285 49403.0941 13475.4785 13658.5119 146705.0705 64240.6827 90317.9193 114431.1437 384618.0685 806583.9516 69141.8021 18103.5653 35790.2468 38320.9043 73828.0602 140357.5551 64389.1738 119699.1918 67570.4355 43279.1312 184828.6418 21208.9687 48470.2475 27169.4283 28637.7248 32503.1936 24098.7065 85039.4455 44471.2327 21574.2355 53611.5624 24190.8542 17612.3244 31568.0286 11171.2157 17214.7805 77928.9946 84723.3400 14895.1478 60404.7698 114038.3601 461296.2388 179179.6597 227663.0021 67180.1615 165378.1288 41458.4151 102544.5636 20726.3949 23340.2120 22830.1141 88439.6731 19313.3064 30472.0297 13549.4329 24715.1517 23573.0000 59302.5062 13328.1700 21676.8111 50292.7219 SM(40:2) 13C0 [+Na] 55855.1051 29162.0065 SM(40:2) 13C1 [+H] 161682.6016 296869.1571 96474.2350 31148.9482 76048.9992 76259.5010 21981.7039 20936.7729 28508.7818 16830.9793 11914.2269 16973.2597 32308.9839 14245.5852 22184.5782 23732.7122 69704.1487 52807.8368 183667.1047 383688.7671 31483.0661 33183.3413 30466.9470 55898.5431 33668.9607 19841.0831 83220.0132 23645.3268 14675.5396 16363.6698 40594.8382 20714.6941 25046.1986 14968.2015 35555.1400 39637.0390 28731.4501 56142.8720 217938.1394 84099.4176 107304.0316 29316.9157 79482.0011 20387.8269 44526.3050 11922.4451 12367.3677 41188.9758 15394.7114 11346.2798 28019.6560 23617.0663 SM(40:2) 13C2 [+H] 60688.2786 43786.2463 78333.4440 SM(40:3) 13C0 [+H] 63900.2071 27775.7470 62922.8407 119009.5681 57873.6007 SM(40:3) 13C1 [+H] 62459.8996 SM(42:1) 13C0 [+H] 259600.7871 556160.2325 254508.3360 51917.9365 161040.9832 120656.8256 50072.3472 43746.4643 52007.8568 37397.7756 20275.7141 22176.4863 36631.0587 18392.7035 18954.4152 65301.4930 28214.2283 29529.9828 12722.0522 47437.3564 45551.0822 73495.8994 21385.0967 148948.1544 106653.7185 85603.1409 101088.1487 329566.8948 575862.0133 74671.2079 16352.5667 35953.5602 36046.3463 49970.6188 101391.6182 49224.1416 113722.8845 78072.3352 51065.9960 176027.3310 21420.4154 31756.9742 21893.6318 30882.2906 27927.0630 21699.4983 93411.0274 47664.3606 22554.9587 15032.9191 61147.2108 22273.8664 14167.2870 27044.9133 17217.3142 14652.3866 64468.2420 68408.4007 22963.5536 62997.2842 104304.0382 277108.0112 161966.4633 186733.3160 35235.2983 160105.3833 36807.3705 91947.6809 62141.6102 19703.0443 18235.8005 17970.2221 96215.1287 19496.4824 30874.8110 14465.5708 33600.1271 23099.4203 59793.7823 12940.1388 15917.0096 33312.6780 SM(42:1) 13C1 [+H] 115232.6920 268419.4884 102615.8364 26311.6235 81475.5886 56427.7224 20748.6558 19680.7632 22293.1650 17558.1218 17863.4267 27617.2394 21244.6213 21163.6397 35681.9158 11654.0320 60964.8853 47749.3447 42288.4986 160758.3126 276105.1890 34830.3558 24171.2976 51321.4841 36410.1405 23770.9505 15210.2805 45472.0995 22489.8959 24365.3937 31159.2727 29161.2853 52553.9118 116976.8636 73124.8955 72904.6318 70653.0226 18724.4662 29659.2342 39041.7306 11191.6408 11657.3267 29354.5748 SM(42:1) 13C2 [+H] 61286.1404 62163.4855 SM(42:2) 13C0 [+H] 833227.8008 36525.5952 1171470.2800 506863.9491 250919.8289 19026.6289 379966.7444 458559.1426 27640.0825 128291.1293 91973.6537 151157.7792 63456.3854 62271.3498 54306.2868 93450.6141 54358.4363 55559.8200 162430.6628 64734.7800 59007.3521 34362.6796 96456.6297 119542.3745 146681.9979 38007.2587 30879.3468 249084.6229 54255.5314 259870.2670 183722.9856 265352.1110 982311.2382 1940663.5390 191369.1667 37734.6398 106408.9168 64670.7568 158242.1397 435314.0963 261938.1257 231161.2612 204360.2785 108786.5181 670592.5403 56649.0459 167432.4377 67746.6677 104680.9823 97907.3232 68598.2030 260215.1489 84585.7405 72066.1178 40612.5510 138446.0271 87633.8062 43378.8095 68576.6746 29365.1446 56794.7625 345328.2258 177388.3846 41243.4135 127622.5314 24814.6299 256555.4827 778476.6964 362668.5297 475000.5152 38743.1513 101007.1463 327304.8429 81243.7850 255777.4328 46092.1879 47133.2952 60229.5726 52084.2456 188010.6516 45544.6480 68081.2094 19707.5949 57028.3791 61927.4538 21279.4057 156831.5398 28065.1162 51959.3336 75616.5595 SM(42:2) 13C0 [+Na] 89302.9782 70929.1709 22690.3809 42833.4344 59242.1771 14906.7709 20735.4936 65269.9661 118450.4350 41384.6289 25996.7544 84770.4454 19665.8919 19613.9311 32133.4469 82343.9471 50004.2542 28826.9950 SM(42:2) 13C1 [+H] 405585.2101 593630.2443 246186.6686 123435.1134 187699.2859 226096.1439 61298.0241 45743.8925 76202.8133 32062.8368 31715.2462 25121.4883 46824.8965 26014.7759 27374.7796 78591.6686 30157.5511 31091.0309 18013.5355 49231.1681 58638.2195 78189.6546 18116.2013 15202.9816 116394.7596 127526.5218 90627.9249 133521.1559 492404.0087 959551.7434 91852.3671 17500.3249 50593.3392 31209.7387 77024.0644 207838.7199 130943.3093 114599.9725 102184.0986 52669.4138 322388.7837 27857.4119 80535.3279 32160.9641 52930.0428 45617.8421 31699.0289 131986.9501 41762.6928 36918.0930 18669.1369 67328.9211 43053.9554 21176.1983 32695.3491 14529.1337 27634.8315 174655.6647 78270.7786 18491.6092 63427.6657 13210.2671 128615.6866 379940.6336 183043.5151 231008.0314 36138.7018 163411.4838 40795.8597 119340.5750 25637.4210 23956.5522 29143.2855 26421.4017 92584.1166 21879.2463 32727.8825 11418.1748 25836.8996 30969.2803 79277.6162 14201.6825 25685.2387 35881.6076 SM(42:2) 13C1 [+Na] 50971.8737 43624.5650 29531.5295 63628.0246 21239.8703 43360.7388 29103.3172 SM(42:2) 13C2 [+H] 88981.2415 127982.0762 55339.5966 28762.2770 43338.5784 51701.6509 17571.7716 11921.7656 13784.3879 32373.0386 106616.5037 213679.0752 22436.6394 31214.9255 25789.2438 74928.6372 19253.7988 28926.9358 16417.6704 39294.1313 18030.5818 15126.6930 31888.3941 81279.9233 51525.2888 35575.3550 20252.6233 17531.2243 SM(42:3) 13C0 [+H] 448702.9154 595230.0430 231186.6275 133617.8663 194426.1824 243037.3809 57669.0599 39276.7443 80476.7794 29623.4663 34420.1149 26047.7294 49478.8286 22678.5400 27614.6774 79292.6129 29165.6963 27514.7169 18726.9177 39863.3252 61274.3978 71072.6672 12712.4858 14231.8339 98631.8042 102498.7081 97169.1338 144111.4845 537160.1900 1104335.1390 84698.4076 20034.8383 55011.2696 32023.4739 78222.8670 239471.7166 126600.2647 114299.4347 101536.8509 45432.9762 311607.1113 26454.8211 98023.1199 37632.1996 47166.1284 56026.4131 32925.8695 119330.2829 37791.0603 33232.8545 16953.5781 63321.7156 43491.9732 22637.6077 36850.9992 11938.9695 30460.3967 165141.8390 95332.0319 15193.6246 60504.5171 121325.8503 467732.2688 174952.6048 254141.5409 59786.7298 150573.0099 43393.5337 121101.2825 23249.3070 32927.4767 30145.5065 88174.7075 22033.3997 33514.3843 25461.4319 27834.0020 81859.2009 13777.3897 28151.8094 43400.1575 SM(42:3) 13C0 [+Na] 53253.1008 32414.2912 71241.5674 20253.4039 44272.4643 SM(42:3) 13C1 [+H] 224420.6106 293554.8327 115615.4315 67497.7503 97350.8196 125611.7573 28143.8795 19517.7789 40238.6678 16426.2801 16423.1690 12845.2156 24558.6571 13437.5813 41579.3515 15148.1459 20471.1741 29213.0464 39782.9253 48592.0600 53690.5851 70756.2530 271425.3291 556444.6529 42353.4836 11191.6817 28249.1057 37941.1433 127923.1447 64450.0222 54693.9688 47112.1191 23917.0873 154880.6042 13839.2928 47985.4671 18508.5181 24600.9605 27844.2300 17619.6916 59788.9776 19526.5040 15693.4142 31703.7937 21600.7900 11620.5428 18532.6721 15277.6117 83073.6331 45470.0243 29077.4475 55899.4231 228709.0103 85608.6758 123114.7048 29202.6943 77285.4426 21924.2730 61442.7540 17347.1929 14733.7288 44889.6455 11627.6553 17149.3577 12944.4042 14055.9204 40640.2855 15564.1548 20979.9839 SM(42:3) 13C2 [+H] 53435.3810 55447.5318 54053.2686 103300.3563 54142.4571 Sphingosine 13C0 [+K] 37239.4853 Sphingosine 13C0 [+Na] 50553.7260 92697.0542 35453.6030 20434.0625 15629.2627 17069.2023 19550.5983 13841.2134 54451.8960 39151.0636 20503.7991 11826.8468 13350.9296 16532.1357 14725.8735 22245.0571 16909.3953 51250.8145 14284.2867 16727.6161 25589.1635 25466.6824 25992.4474 Sulfatide(32:2) 13C0 [+NH4] 21566.7559 27438.7512 75574.6206 29444.1282 81488.5033 Sulfatide(36:2) 13C0 [+Na] 30164.8740 45063.2736 TAG(44:0) 13C0 [+Na] 15507.1434 27483.8275 27907.7046 42280.6363 TAG(44:0) 13C0 [+NH4] 138779.5016 27045.3610 24540.6324 23646.4075 29873.7113 44393.9566 58036.2539 19586.1639 21568.4549 42432.1377 20748.2553 36624.5306 58447.1801 131457.9016 61472.9718 62142.9895 129996.8605 47987.5554 70383.4059 33309.5195 38833.1184 80311.8301 71735.9772 178293.7534 230532.7563 261801.5158 18834.2037 28329.5917 131779.0491 20689.6611 32478.6194 70663.0053 29134.1463 9852.0666 82626.8931 48364.3783 17431.7878 28473.1455 63071.3576 146673.3321 53247.8213 200598.7923 37478.3846 74910.0455 17890.7878 149598.9956 53232.9186 208660.1662 10354.9277 58547.7141 TAG(44:0) 13C1 [+Na] 22636.6542 TAG(44:0) 13C1 [+NH4] 67106.9249 17277.7271 22659.1035 30148.2835 20726.9203 33259.7518 68125.2682 61858.3270 19127.4212 40670.5724 35286.9434 86914.9664 117370.4071 133278.2912 14683.5304 68212.0292 18015.4474 35837.7940 15360.6347 40589.9676 23679.6077 15259.3106 70911.6510 99669.6555 36767.5632 76842.5827 28453.3029 106235.0309 30990.3348 TAG(44:0) 13C2 [+NH4] 17753.7075 24850.2271 TAG(44:1) 13C0 [+Na] 35703.7831 21883.1617 47914.3214 TAG(44:1) 13C0 [+NH4] 162028.0420 32925.2029 22009.7818 34096.7689 43789.9222 17253.7091 22376.3833 35201.7259 96395.0043 63730.3585 92147.6227 32415.7359 89968.0991 81668.7110 163746.4410 89871.0085 156728.5336 15927.1561 22800.9915 13826.7222 29702.7216 63048.0595 15636.0446 36405.4019 12828.7508 66363.0211 164801.5028 61472.9458 234395.5986 28944.8962 61213.3477 18520.3793 95990.1419 191240.6091 37949.1431 TAG(44:1) 13C1 [+Na] 24824.6382 TAG(44:1) 13C1 [+NH4] 77054.9582 17909.6647 18140.2034 21985.0152 17759.1105 50557.8862 36225.2669 46422.7520 16567.0187 44282.2831 42397.3345 83474.8046 43951.4983 78434.1026 16402.4119 32175.1705 19144.9515 82212.6196 40812.1940 119380.7339 32805.9993 50521.0864 95857.2025 20211.0504 TAG(44:1) 13C2 [+NH4] 24314.7933 27587.8082 21227.2312 TAG(44:2) 13C0 [+Na] 34078.1802 20251.3967 TAG(44:2) 13C0 [+NH4] 118622.0937 20097.2137 20094.9947 30201.5511 15895.2139 70522.5127 46428.8422 44303.8356 13501.8428 59604.6041 25019.5525 88656.5761 50600.1702 86413.2824 17139.5967 17032.8327 31761.9779 48094.5524 113733.7063 38259.3604 207812.5534 48936.9019 32891.7092 71574.6920 TAG(44:2) 13C1 [+NH4] 62024.1488 15410.0484 41350.6308 31319.3229 44463.5709 17080.6533 22917.0828 56331.1080 103356.9558 17519.6355 35126.4076 TAG(44:2) 13C2 [+NH4] 26676.2598 TAG(44:3) 13C0 [+NH4] 47101.7207 75718.8351 17904.7209 TAG(44:3) 13C1 [+NH4] 39336.5254 TAG(46:0) 13C0 [+Na] 20852.3112 15677.2838 37505.0141 15355.5012 22347.2574 51315.7247 22856.7982 18146.1306 24528.9951 31207.2689 46071.2843 58030.0877 TAG(46:0) 13C0 [+NH4] 75968.6410 60712.8760 277167.1088 57779.6087 23593.9180 40355.9802 62713.0027 56001.9649 61698.0256 37059.0526 117697.5385 34461.9517 66061.4956 72815.3188 36720.1233 16533.7781 71972.8316 142041.1160 17115.0274 15875.8545 214176.3378 50601.2435 75408.2469 92311.8207 325830.8504 71890.4501 156856.2516 68665.5743 73087.9388 25831.2752 118102.1627 170497.5763 263667.7179 24868.3318 456819.4497 21528.4571 300867.5076 23337.9662 34360.3895 28819.9934 265631.6740 29362.7242 62942.2710 19161.6945 10833.9494 24661.9441 132396.4893 48887.9419 11512.0923 156781.8502 19190.2166 51881.2227 41613.3054 39784.0545 60217.7761 179867.5964 58373.8403 289444.1409 139824.9435 253477.1495 83986.1320 222211.6342 68049.7746 260254.9272 136792.8274 13562.5608 296813.5065 21841.2681 25963.1647 19926.0108 15930.4974 81189.8194 TAG(46:0) 13C1 [+Na] 24317.4965 30514.2435 TAG(46:0) 13C1 [+NH4] 140000.8748 32171.7689 22996.0241 32519.9885 28645.4947 31341.7942 20066.0504 63854.9981 18587.1925 35575.5250 38740.8527 19711.6401 38804.0377 74545.7273 111083.9797 40895.7136 167861.0681 82132.2207 34203.5326 39754.1880 63663.3375 91200.2373 131294.8488 240070.8555 150454.6968 12786.7296 17991.1284 15464.1066 139178.9992 15456.3251 33756.0099 69566.0461 24912.0363 80436.2544 26100.1504 21055.2000 20356.2517 96244.9499 142839.5717 74772.2026 134354.3126 45069.2212 117559.6765 37190.4228 135937.7367 68841.0892 157238.3302 12106.5154 15840.8923 43018.8296 TAG(46:0) 13C2 [+NH4] 36370.9305 16876.6778 40974.8708 22422.3361 58209.6215 39574.4103 34038.1398 17772.9396 23254.6433 33442.0472 31130.5630 33401.6003 38540.4902 TAG(46:1) 13C0 [+Na] 39501.6712 19545.4445 23737.1022 14363.2311 16881.1898 59340.6284 34094.0720 35894.2617 17543.3547 33920.6472 66996.2977 83401.6204 14570.3291 30568.7219 13049.2514 19537.7459 43114.4389 34894.8052 78136.9581 30221.9389 16178.5243 44420.0109 88635.5440 TAG(46:1) 13C0 [+NH4] 68164.3429 91339.4846 336758.1836 48261.5153 100425.5232 55533.2536 73694.5238 38735.9559 113101.7766 49410.9783 110625.5318 71827.8955 25256.0130 17046.9447 49304.5644 280850.6717 74361.2118 123185.9885 113824.5829 237814.3365 52297.2242 125169.1269 40869.6531 67765.3798 24115.0082 190588.4869 401384.8134 380852.1058 36418.1694 200588.9825 25097.2692 846393.1347 15760.7320 30498.2268 28983.8855 40699.9058 67935.5071 63538.2746 13722.3834 21458.5470 194241.8736 49701.5852 18519.1492 17547.5932 113717.0002 32705.2873 36196.7339 76663.1682 250695.0818 68853.7625 380975.7088 204905.6574 538229.7655 109410.1103 253469.1000 87036.8346 209140.8173 13719.7907 359560.4204 21820.9345 16226.9960 71097.6435 TAG(46:1) 13C1 [+Na] 34267.9172 46129.0038 15378.9281 41825.6770 22759.2100 46128.8049 TAG(46:1) 13C1 [+NH4] 50077.1747 181929.4427 26991.5555 53193.0645 29558.8323 39252.4323 19908.1545 60740.6564 26182.7799 56682.7475 37306.3513 13319.9090 30987.7315 140912.6587 43739.4544 66577.5176 60151.1166 124097.3713 68700.7309 35582.1174 96409.4283 212176.4608 204748.1553 105565.0627 440871.0796 15979.3053 16162.6787 23266.8996 35088.3020 34370.8694 100161.4409 26465.9299 10057.7847 58487.7974 16960.2284 19098.7476 44524.9097 140290.6404 196650.5012 111758.2439 285052.6633 60119.2459 133009.3718 45780.4938 111424.1020 189374.8522 11966.2782 38113.4339 TAG(46:1) 13C2 [+Na] 138571.5533 17250.9711 54890.6793 13872.2939 37788.2974 15278.1372 36049.6706 37702.1574 23522.4416 21832.3865 TAG(46:1) 13C2 [+NH4] 44293.7971 14902.6517 43887.4948 28567.9535 10382.1969 47849.3567 109866.1588 23310.3531 24136.1350 16914.6263 49052.5843 33840.5942 65869.3694 32653.5636 23923.7577 42265.8914 TAG(46:2) 13C0 [+Na] 37816.4971 21193.1788 53004.4243 29862.0642 33095.7526 59647.5003 20932.5237 19045.2313 34038.5824 85198.4318 31018.2073 20065.7344 42759.2424 TAG(46:2) 13C0 [+NH4] 57751.8571 54215.2013 276581.0371 25446.5875 60186.5801 31512.3825 52766.5468 20512.7904 84827.5559 21523.9289 58150.8227 37400.9849 16316.1625 215055.3770 75069.6707 91476.2048 62275.5531 112463.3885 74125.4219 25818.0986 33167.0213 138970.6675 177830.9135 244282.0298 26959.6475 117004.0401 19289.5958 485767.3508 17178.9669 24807.7522 32184.9666 86323.2110 37028.2940 16052.0773 102318.5894 33123.0192 10114.5445 170172.9214 21139.6355 20221.5646 42537.1362 161064.2022 47465.7849 282855.5442 107957.8720 525633.7967 66168.9575 202606.4686 50366.0589 83776.2305 155800.3687 14898.3953 14126.4395 35688.4238 TAG(46:2) 13C1 [+Na] 19124.8817 43195.6669 22415.0349 TAG(46:2) 13C1 [+NH4] 146948.6888 31810.5724 16489.6481 28610.8773 45531.5405 31111.2071 19083.9637 108384.2485 48338.6229 58997.8230 18288.4811 75712.5871 91596.8350 128001.0620 63450.3484 256465.1078 14754.8030 45624.4386 19221.8888 53683.4559 16105.3106 89550.7039 85851.4079 146156.1079 56782.1006 277934.9095 36569.2110 108450.7687 25897.2874 43514.2831 80259.6333 18745.0308 TAG(46:2) 13C2 [+Na] 13782.9008 44126.5435 30651.7832 82289.6478 14315.9050 40367.4995 37269.7187 16632.4258 14125.5125 TAG(46:2) 13C2 [+NH4] 37153.7448 54547.5955 21784.2618 40166.2763 59876.2716 28136.5299 17230.9486 TAG(46:3) 13C0 [+Na] 49929.7751 14557.7920 TAG(46:3) 13C0 [+NH4] 128938.4909 22910.1933 16882.6270 33720.4673 67325.3963 36538.7826 33822.2862 12249.3695 59919.5818 35625.5064 79838.5342 42511.6821 95468.5315 17672.8347 28564.6753 43820.9555 64532.6665 113522.0786 34354.6005 220872.2082 71553.3164 17894.5583 22027.5635 43473.4111 TAG(46:3) 13C1 [+Na] 26689.6120 TAG(46:3) 13C1 [+NH4] 69842.6769 17586.4476 39161.7915 32989.8282 53762.1789 16602.9398 22359.1866 63041.9090 115064.4269 36185.7829 23425.8997 TAG(46:4) 13C0 [+NH4] 68395.1302 TAG(46:4) 13C1 [+NH4] 38252.0966 TAG(48:0) 13C0 [+K] 26003.9064 26462.3872 82992.9572 54634.3245 19561.3877 25653.5883 34130.6007 18986.2157 TAG(48:0) 13C0 [+Na] 38797.6257 18515.7196 14756.9204 33765.3119 13730.8473 20325.0623 25673.8641 34618.1996 53121.0980 98287.8828 23156.9534 46229.2729 83911.6352 60611.0615 13177.5889 42148.9817 52056.4239 16755.0014 33943.5591 26067.8738 57669.1257 44376.7682 42038.8245 37769.1580 44185.3910 22355.9311 58034.8986 33851.6700 67082.8267 10886.1608 14644.7200 TAG(48:0) 13C0 [+NH4] 102689.0500 40144.5041 133817.3472 421192.8614 84012.6251 25830.6363 39286.4671 64557.8230 129738.7085 89319.3780 74390.5183 77160.6054 14225.5545 197001.5093 18074.8285 56133.9614 13708.9452 160753.0250 101223.9558 49203.0603 15762.2024 34845.4387 144348.3312 279346.4845 28525.5188 24226.7963 320692.0196 112134.7252 91904.6998 143374.9672 892383.2094 99784.4248 437535.7702 136363.9858 126357.1947 46919.1574 177994.1041 362219.1308 359717.8892 46368.7475 42823.4982 783443.6989 41514.8091 759367.5999 52251.5485 45810.2580 35787.2874 591660.0267 71397.0966 96980.4208 39543.9970 20622.1381 15891.6712 42854.9751 408457.6842 92143.7233 27931.8941 204741.0719 13101.1840 16060.7241 33346.0955 76540.5044 120775.9880 75996.5809 16522.7315 99320.5950 556049.1556 89593.1740 489256.3446 323263.8973 313181.4752 153358.2499 497575.3532 17516.5405 17699.5974 155654.4243 337291.1813 437703.2911 23417.5643 356737.4029 54216.0331 63763.1118 40725.0568 20805.7081 13840.1695 109001.9320 TAG(48:0) 13C1 [+K] 49713.3102 31865.6990 TAG(48:0) 13C1 [+Na] 17555.1590 52213.1674 12988.2809 24794.6259 46236.6401 23703.5133 28118.9925 19846.7033 14519.6377 31371.3389 36190.6851 TAG(48:0) 13C1 [+NH4] 73069.3577 230339.4505 45107.4417 34110.4382 72509.9438 49124.1619 40154.2568 41005.9813 107031.5568 10337.2986 31745.1529 89129.3246 56074.0672 27385.6640 18857.5789 79216.4361 154247.1032 15998.5079 14260.9893 175109.2985 59884.7713 51057.7692 74118.0473 490506.4931 54395.9965 240181.4092 73195.0281 71346.3486 27802.3897 99353.8727 200982.3139 188967.0535 26535.6527 23932.8215 423478.5266 22130.6864 416076.2996 28576.9071 25338.2753 19670.4974 319732.3994 38666.6313 54811.2948 21933.9266 12173.6469 23770.6578 223077.1762 49938.7670 15353.5515 111054.8182 20444.4650 41170.5206 66686.9450 42093.9088 57044.3910 304644.7918 49625.0972 269088.5768 163399.7247 168692.8499 82033.6236 268914.5523 82017.6454 187506.1765 233483.5675 13273.1339 195671.2233 28683.9495 36104.1960 24358.1664 12270.3999 58997.6931 TAG(48:0) 13C2 [+NH4] 58764.7785 19487.0905 27439.6885 23658.3675 14729.7408 41675.7382 48355.0152 126756.2818 62242.3204 17216.8211 49745.3642 107915.5711 110714.7823 82835.0058 56670.0019 13975.0677 29727.4009 16474.9457 79923.4688 69652.2610 44900.1077 41986.1967 70378.9507 21229.4049 48107.5755 65321.5210 50917.0134 TAG(48:1) 13C0 [+K] 85919.4072 20989.1908 54705.9104 147182.6999 33484.0368 26708.4335 33514.8422 13515.1038 TAG(48:1) 13C0 [+Na] 100177.0524 74801.2019 27240.5417 22539.9276 30885.9041 61553.6670 41606.0953 39395.4246 38608.3106 24603.9653 16587.5410 26467.8630 98491.9177 51147.6933 98478.6680 45711.8646 64176.0804 207511.1510 20963.3832 61528.0176 124874.5039 13752.9057 12217.8516 18986.3864 20525.4382 64295.4111 25490.4988 10794.2277 13324.0189 25443.7610 35758.9328 13620.6311 55350.0595 154150.3369 102476.0891 117955.3703 110448.6925 65572.5984 121940.4669 72608.8088 89142.3245 16787.6803 147862.2747 19281.3366 14237.7795 23832.5496 TAG(48:1) 13C0 [+NH4] 171961.5075 143018.1841 65232.5240 367415.1985 930466.4940 53446.9467 29780.8335 37714.1471 136019.8861 29599.2978 415880.8188 182275.2577 125712.4496 138611.6309 17506.4886 294818.3668 32833.0787 154825.6552 22557.5855 509070.4107 164110.9239 30163.2946 28606.2138 114469.3694 76165.8984 193349.4117 29027.9763 25791.1430 471550.6435 155125.9874 225590.1759 205346.1424 730213.5093 129473.7037 489139.2680 121014.7387 188645.2787 32386.1401 376296.0530 1286577.4390 457860.0229 78978.8184 121325.9631 510361.7995 95994.2405 1231009.9580 39227.5897 64024.8530 73243.3865 49317.2211 94329.7000 150282.5252 59779.8175 36689.0283 52108.3908 413071.1615 117947.2536 35605.7005 57431.0009 14518.3560 18510.9385 35436.9103 143287.3436 139347.4997 69339.4575 235353.4325 1318555.7070 210756.1263 976277.6673 790417.4301 780659.2004 495768.8335 1129385.1400 39225.4655 433624.1917 448177.8226 26972.2659 63358.5063 631774.5403 93787.2131 49059.2404 18748.4011 11467.6238 16568.9631 138251.2185 TAG(48:1) 13C1 [+K] 47541.3018 44758.0373 18680.1063 19917.2658 TAG(48:1) 13C1 [+Na] 56746.2508 40182.8771 16728.8889 17014.2312 31394.3167 22362.3450 23192.6211 20681.8910 14259.8351 54721.3814 53830.6368 25147.7429 34221.2891 114538.0061 35262.0980 64863.1611 33800.5521 15686.6253 18835.3785 82186.3878 55687.2565 64194.1098 60403.7406 37900.8264 65277.5406 39864.6294 47248.2352 80391.2252 10763.6180 TAG(48:1) 13C1 [+NH4] 96616.6019 88178.6470 36925.2072 197837.5854 505722.9431 31495.3551 77667.6427 227080.0982 100603.4484 67607.1323 78931.1525 164763.3948 16974.9160 85091.2806 11933.1213 278039.8649 91120.2239 17321.0467 15472.6532 61900.8439 39844.4514 109523.1676 15855.4603 14141.3686 260076.6887 83814.2160 120790.2919 114114.0053 396549.9025 71035.4080 258975.2347 66623.9736 104415.2770 202441.5483 701911.6419 253121.0008 42176.3287 64102.4501 274708.0200 51713.4440 677539.9201 21886.8131 35362.2213 40751.2198 26377.0942 52501.1022 80561.8455 32627.1951 20534.3326 27410.8114 227118.5906 65480.6633 20059.4189 32001.4303 19301.9643 78400.0975 76507.3611 39115.8692 123606.5925 716348.5469 115891.3764 536133.4464 421341.5513 426206.9648 270236.5994 620427.1895 21907.1751 237572.0914 244260.4522 15749.2336 33529.3164 344255.1076 51354.7826 26733.1828 75347.9025 TAG(48:1) 13C2 [+Na] 29143.6213 14083.7573 21384.8106 TAG(48:1) 13C2 [+NH4] 49968.1212 121181.0080 56913.5754 22925.6193 17607.8982 19772.7996 38251.6529 21202.6099 67638.3808 20598.0095 15719.8223 27097.2096 62170.8896 82141.5528 60535.3402 24351.3585 50047.2005 172757.1547 64292.4661 56100.9706 158168.7220 14143.6925 26018.7315 49669.3673 15772.9193 20231.7401 17513.6362 173936.7318 131607.4653 106177.8214 105573.9317 65639.4683 147501.7719 58712.2169 55286.0192 81302.6177 12101.9544 18464.0891 TAG(48:1) 13C3 [+NH4] 25701.5555 14059.0264 TAG(48:2) 13C0 [+K] 16109.7599 76576.1595 14828.2613 47778.0662 145804.3800 15711.1796 25820.4858 24298.9600 30451.5376 32702.2452 15826.3700 24458.7461 15664.2661 TAG(48:2) 13C0 [+Na] 49644.8079 100730.5393 68246.4395 24568.7917 22985.6967 24940.9360 58232.8550 28003.8232 33462.4504 27300.0889 25558.0403 17338.6998 105618.2920 50537.9529 58861.5003 30306.0551 63525.5284 164910.5641 23576.4144 48596.3049 16631.2225 136843.5188 12958.7102 33903.2260 50862.7468 22472.9804 11877.5116 49029.2461 25419.0061 46210.8654 144326.4401 91527.0766 85727.1141 160780.8941 63946.3540 127276.6512 68379.3495 49500.7165 14616.4402 88823.4679 15222.4156 15492.6732 22457.6161 TAG(48:2) 13C0 [+NH4] 198058.4561 119704.6185 66218.3015 293713.7183 836159.1024 45612.9741 41834.3188 144730.5398 22478.1887 321005.7942 136712.0157 111746.4014 98455.5525 16241.2557 245912.5394 21812.1813 97211.1940 15188.8263 400315.4396 100757.2835 29861.3707 25559.0921 100592.6832 64855.0689 83786.0207 19263.1593 19449.6441 458631.0855 148351.1796 194403.8991 246958.1837 383050.6444 111127.4617 387919.7038 76034.7681 107060.9905 40863.2537 331620.9180 900978.6319 450482.9327 43152.9950 120925.9646 334759.3513 83811.2654 1225885.7550 27323.6697 40594.3962 75992.4325 52623.8575 158681.0405 94280.1456 43408.0932 30037.8901 45630.2766 291081.9708 87536.9239 33575.3908 35186.6293 12671.0092 20458.3770 21014.3151 262789.3389 88741.5856 55708.1882 157435.6480 1068856.3740 196476.6684 777513.8238 477403.1034 990803.9264 423041.2713 1043200.5580 38151.5672 363334.1115 217222.8954 19390.8908 46657.6289 331565.5960 67781.1120 45653.8856 15500.9296 14276.9049 15162.7969 121764.4139 TAG(48:2) 13C1 [+K] 42018.6841 38575.8630 19014.4355 16580.9413 TAG(48:2) 13C1 [+Na] 56185.3849 35546.5149 15314.4406 15642.3533 31372.9469 15726.8707 14859.3808 14371.8552 56328.0034 33620.8250 17492.7034 35656.1561 90461.7953 70386.0497 21046.9604 27464.7147 13341.9623 26943.0299 14276.6329 77099.6436 48456.1962 51931.5427 89512.8196 34944.2932 74132.3270 37832.8242 26179.4852 47841.0634 TAG(48:2) 13C1 [+NH4] 112061.2434 37677.2378 160551.2354 458695.5465 27956.1025 80599.4383 177135.0911 75343.1364 61690.0724 51288.2190 133139.9145 12298.6128 51721.4930 222206.6430 55994.2854 16204.2257 13982.5104 55260.0130 34278.3106 45712.3731 11149.3631 255593.0146 81225.1028 106531.4939 131425.1776 212606.8482 60268.4089 203939.0939 40395.2199 57433.7064 22648.0910 176318.6596 488502.4922 253036.5158 23392.9867 64676.2190 183474.3707 44611.3681 674198.5435 15169.8857 21868.7686 41546.9719 28073.1421 86089.1559 52656.3233 23805.6258 16419.1851 23919.8325 156749.3541 47320.6058 19502.1416 19418.7274 145496.2420 49455.5599 29365.4496 88024.2007 588383.9461 103606.9189 421389.0122 258725.0108 557913.8154 236256.3079 569954.6858 20768.1705 200963.6468 116991.4738 24284.5382 182461.2571 36623.9250 24867.8273 64455.2796 TAG(48:2) 13C2 [+Na] 24881.6832 43518.8918 55515.7732 26732.9510 28508.6549 16114.0647 14261.8980 TAG(48:2) 13C2 [+NH4] 44106.3461 104461.5245 36951.1478 17247.3339 16863.2256 29119.4854 12939.6647 45761.4347 14181.6493 13939.2217 55656.0224 41387.3882 53557.7800 13197.8135 40648.7054 100604.3447 38561.2501 151917.4812 20094.0896 33279.3387 33457.8103 11930.8898 123550.9486 88670.0470 51088.3862 122456.8644 47541.2037 125270.8435 42055.8209 21671.3283 35176.7573 17656.2625 TAG(48:3) 13C0 [+K] 29543.1717 27358.4561 TAG(48:3) 13C0 [+Na] 51271.9587 26451.8959 25806.4787 57560.5855 11968.6931 35787.7726 51259.9787 76732.4157 32279.0329 22058.9754 48698.6167 62413.0890 42039.7913 30875.1879 114579.4023 27833.6271 53632.2049 26375.9205 18282.0462 29339.9786 TAG(48:3) 13C0 [+NH4] 95018.1722 98648.4223 355566.7893 59072.0342 118249.1521 47476.8914 53397.4015 31161.8134 104603.8288 21508.4745 132762.1209 36098.8720 38885.7605 22295.6078 24165.1781 235571.5319 87799.3584 98832.2175 111884.6162 118638.9276 52483.7891 129882.8477 29242.1513 35649.3633 27609.4743 174473.7846 258108.3453 243603.4952 53019.9609 108324.2075 34149.1004 667792.2387 15455.2238 39991.5767 38400.5001 139577.9130 35569.6906 14027.9318 11185.8604 20037.5489 112998.0525 34087.4216 14127.1542 14660.8854 243976.8590 29512.9724 22591.6171 48953.0390 400557.0520 81108.6572 317894.4311 142825.9814 682259.0789 152452.5878 406356.1310 14207.8585 125415.4177 68377.7525 15148.2076 104570.3214 22469.5130 16240.8682 47556.7836 TAG(48:3) 13C1 [+K] 27585.3457 TAG(48:3) 13C1 [+Na] 17375.1133 15247.4161 28845.7323 47073.8287 18076.2869 26922.5622 63633.5378 30430.5573 15532.0685 17543.3417 TAG(48:3) 13C1 [+NH4] 55721.2240 51576.9029 194695.2901 29893.4173 63731.5394 24862.9133 30315.4633 18059.7427 57490.0787 12821.3847 72557.0556 18586.0438 20530.8871 14286.2078 125106.1608 49819.9639 50106.9961 58731.3763 60278.5438 70924.5510 19256.4231 92742.9380 139999.5071 132254.8748 30540.1006 59362.1195 19305.1957 355213.6862 21890.9195 22016.2252 75157.9670 20779.7016 61748.4731 18829.5744 132255.2778 15211.4593 216835.6667 50616.1644 172786.4384 81100.4392 364960.1180 84737.1006 216642.0560 67639.8599 36928.6981 57395.5730 12018.1034 26175.2548 TAG(48:3) 13C2 [+NH4] 42912.6387 73578.6448 16303.7903 28856.1353 70413.1461 40405.9455 TAG(48:4) 13C0 [+K] 23125.5407 TAG(48:4) 13C0 [+Na] 21034.3959 37978.7258 55062.1281 TAG(48:4) 13C0 [+NH4] 89121.6553 27741.4851 28856.8541 73606.2328 61154.1939 50669.8279 96487.5106 34227.3836 183503.8669 15650.8349 25845.0946 77681.1748 22930.5213 176139.2161 80378.5314 71182.4315 33837.0085 301944.1487 120574.4145 23880.0341 16822.1021 21963.9849 TAG(48:4) 13C1 [+Na] 22137.6685 32827.4438 TAG(48:4) 13C1 [+NH4] 57176.0658 17586.5432 48298.3358 37197.5180 29909.7060 60769.5317 107806.0749 44463.6452 97549.9284 59768.9119 48169.4459 172303.3274 65588.3601 15651.9058 TAG(48:4) 13C2 [+NH4] 23019.8230 34445.5182 TAG(48:5) 13C0 [+NH4] 62290.4289 TAG(48:5) 13C1 [+NH4] 31411.7144 TAG(49:0) 13C0 [+NH4] 84555.4239 35449.0680 16961.1292 25308.0856 16226.0006 19792.8352 35223.5682 55810.6805 65279.6016 73231.4299 30945.0695 19977.2334 28594.0876 35704.1873 155827.3563 43957.8804 112604.4574 19577.4268 25277.0159 13677.1869 66269.2563 14220.7461 69317.5647 64218.8284 36922.4860 40891.1935 47154.9087 17008.5450 58653.5240 65125.7531 53875.8814 33748.9162 TAG(49:0) 13C1 [+NH4] 52608.9744 14696.9341 35590.3106 39017.5242 12616.2402 22957.4382 85772.8195 61708.5923 15883.4783 38114.0760 30392.5223 32920.3923 40078.1785 30518.4299 TAG(49:1) 13C0 [+Na] 23728.1701 18494.0626 25807.1467 TAG(49:1) 13C0 [+NH4] 55614.6135 172295.6261 64026.7269 27313.0921 22868.0989 21158.7343 56027.2939 14054.2223 63003.7484 31486.9356 19117.0607 13595.3048 95782.1183 42945.0194 114046.8016 95332.6369 29096.5411 41018.7700 66360.7008 166326.4241 117320.6712 21422.9777 23165.7195 99682.9010 20043.4639 125997.9610 16154.6615 25495.1697 16581.0638 17333.3487 65103.8499 22640.0219 19495.2868 23495.8151 21484.1986 259119.2352 55970.2856 167231.5803 120599.9738 116339.4706 86726.1651 186304.0379 59331.5136 94736.5077 116459.0230 16752.7002 22360.5623 TAG(49:1) 13C1 [+Na] 13900.4764 TAG(49:1) 13C1 [+NH4] 98065.2011 36152.9731 16135.5572 30729.0184 36558.7940 17587.8304 12115.7522 50569.7245 62371.8225 59575.1743 23165.1656 36936.9896 91801.8143 70389.7079 53462.9091 74445.0428 34547.2297 13166.6574 11546.7859 146388.3332 93398.5091 69781.0121 64753.5606 47667.1080 101329.8995 32943.8406 51718.3333 65083.0664 10699.4873 TAG(49:1) 13C2 [+NH4] 25335.4457 29860.7991 15303.2109 17354.0986 TAG(49:2) 13C0 [+Na] 23545.8821 13525.5254 TAG(49:2) 13C0 [+NH4] 188581.0569 85059.8825 70646.7411 71336.5501 158505.7891 102388.7309 134754.1353 65679.3510 269085.8175 175532.7670 102850.9444 141544.3695 114977.6360 195203.4079 86391.6523 91995.1561 TAG(49:2) 13C1 [+NH4] 101727.3878 48302.5098 39413.3267 39739.0972 86859.6642 53368.5836 71604.8269 36518.6329 147626.6023 96853.9110 54711.0412 79126.9161 63832.6741 111717.1027 48168.9126 50840.3635 TAG(49:2) 13C2 [+NH4] 23661.7077 28395.4182 13448.9119 TAG(49:3) 13C0 [+NH4] 151186.9908 57120.6976 19452.5204 15591.4826 32004.3336 77333.8071 49350.1887 49905.8009 30588.4674 59105.9802 20039.2800 15335.4655 TAG(49:3) 13C1 [+NH4] 30405.9797 33199.8173 TAG(50:0) 13C0 [+K] 38266.7264 17804.4252 TAG(50:0) 13C0 [+Na] 21018.7571 23424.5495 42656.8960 34688.0081 15196.3653 31024.5661 36335.3972 47129.3349 26083.8754 16643.3249 23022.2703 26277.2030 33215.5092 56281.3079 43598.7370 TAG(50:0) 13C0 [+NH4] 67734.7664 69251.6934 247772.1368 45565.1094 33162.6302 87151.1110 53849.8808 48915.2081 53780.6945 12855.2894 138160.8927 12687.4420 36302.5001 12728.3978 92998.9984 58786.2135 28114.6804 12561.7409 19997.3108 61660.0209 187318.2167 19175.7111 18632.1298 229928.6181 77264.4230 49385.9064 95455.8152 326960.5774 69966.8544 178304.5373 65373.9374 87225.6781 38686.8608 118328.4373 223983.6627 260655.5153 29840.9202 26331.1054 343118.4889 27051.0235 524545.1353 29096.0592 29272.4596 20850.0303 170716.5272 74727.1000 85589.0639 32797.3129 16350.3613 13662.8442 28280.6501 201507.2908 51164.7936 18766.6771 96599.5637 14209.6242 22992.8522 42688.8639 105551.6234 46521.8936 17750.4460 48218.9048 527602.0376 74087.8815 347646.8589 132244.5543 211089.0693 82995.1857 332891.1378 13706.6064 10992.5246 74125.8250 354337.0519 236589.6144 16211.8560 233854.4102 40902.1305 37022.6596 23181.0943 16740.0972 70387.4032 TAG(50:0) 13C1 [+Na] 16075.4135 12610.8086 30323.1321 23490.2996 TAG(50:0) 13C1 [+NH4] 46254.3127 147415.3624 29190.6446 22554.1629 50757.0958 31618.7335 28148.0608 30716.8471 79985.4889 21637.4085 56642.1639 34425.8207 18004.4387 12778.5543 36265.6882 106033.7564 13027.4070 11775.0688 133175.1732 44413.3888 59869.7581 199267.7956 106315.9207 35779.5477 50955.2985 21510.8935 70996.0231 135099.6448 149380.2026 19860.2135 195629.1267 17298.2824 311073.4348 17890.3499 17948.5766 91892.9805 43170.8554 46614.5453 19443.0939 16485.3015 120125.2997 29398.0884 11216.8702 56168.2108 25483.9746 60999.9334 26583.9169 320017.9378 206579.7192 80034.7695 120394.9555 49658.8476 191547.5934 44804.0025 205867.5549 131042.2323 133878.2610 23604.7227 21520.3449 37779.4733 TAG(50:0) 13C2 [+NH4] 45502.9920 20284.9071 37107.5914 41301.8003 53878.0148 14279.0848 36087.7160 52874.3051 82406.1371 26887.2926 30424.0659 15986.8342 16256.4088 78064.1791 56189.6460 33072.4650 54062.8176 55167.4162 37052.5375 TAG(50:1) 13C0 [+K] 26586.1999 33033.0658 15698.4760 19138.1634 242526.2512 21341.1438 45204.4270 14599.1451 38812.0901 13911.8892 34708.6771 29491.5563 134951.8052 419064.2847 26574.6352 67598.4204 34509.7531 23103.1150 99743.4578 26202.3623 13218.5083 25218.2444 15967.5346 30123.8084 95857.1999 49525.0267 54720.8869 51078.4658 45409.8183 15855.7769 47862.5240 53202.0820 21669.8791 TAG(50:1) 13C0 [+Na] 81191.7028 43330.7900 83224.0247 188868.6991 23437.9993 50535.4419 175226.4184 67574.8899 39842.9236 65352.2591 13250.9002 117843.8450 34508.9953 107698.5790 15686.1679 108756.1757 66694.0191 15643.3615 14648.0880 73557.2442 52475.9306 58259.7695 21105.1526 233145.5383 80209.0434 97281.9375 118583.3569 379209.0667 157803.5162 51797.9473 108511.2760 28820.5792 123203.3137 430017.5277 91783.1025 49553.4936 142723.5485 53858.3003 477908.6028 32246.7273 34170.6496 29890.0087 68324.7970 37275.7511 28712.8365 23545.9024 13281.4228 30582.4815 256256.3238 77126.0764 37646.4759 30570.4801 14466.4023 15583.8320 28400.2732 53637.2118 132443.1953 39854.1552 86247.0589 606310.1853 49670.6732 226461.9557 264126.9505 187963.3550 155486.9561 368249.9150 33688.4795 172318.2659 144220.9123 53460.8567 205308.5888 79733.3942 45302.7705 33239.5550 TAG(50:1) 13C0 [+NH4] 433114.8429 298785.9736 231836.5993 907174.4839 1883943.7740 142322.9860 40573.8169 189537.1066 32541.5732 366245.5608 77916.2324 987432.8753 425273.2287 232994.5488 313990.5950 62662.8435 609986.6608 146222.8414 419426.3445 73686.9671 1519153.6270 290047.6896 81883.6040 55010.2164 335010.1775 243253.6935 460287.6993 73891.7172 54736.8642 1194335.8600 406354.1972 440230.4691 883357.3946 2982736.6360 425566.8175 2076570.9100 392131.4868 457797.4335 147388.9150 741823.7624 2782690.1540 743639.1617 600916.4352 291805.8868 1188866.8080 331513.3033 5055405.9460 136661.0299 184548.1789 188760.5738 138522.3865 366581.7478 318927.2745 233226.3910 99892.0289 55557.0420 175045.8041 1734295.1020 348729.4184 129314.4115 153297.8162 42911.5053 62309.4070 167153.5625 316723.2287 543658.5980 223126.4258 63950.1241 385293.6464 50026.1873 5247030.2450 566492.7556 2228567.9560 1792748.0680 1353510.5230 1250810.9830 36334.8741 3574125.7850 23404.8806 161266.4587 28995.0739 1069940.3210 18755.7069 750409.7208 71119.4871 201469.7490 906714.9669 386672.3370 160226.5848 69232.7116 30975.4261 42206.3168 216502.6173 TAG(50:1) 13C1 [+K] 21078.3832 141373.8269 35881.1698 35399.2848 90557.0760 260929.6311 17591.8841 40494.8897 23300.6029 56497.2559 11493.4818 19041.4826 74151.0384 34938.7231 33117.2440 28657.0647 31655.8690 14225.5073 TAG(50:1) 13C1 [+Na] 50766.0904 50136.4284 107411.1940 28558.1832 102872.3165 37535.4124 22237.8337 35680.7280 65848.5618 19521.7114 61685.9644 62797.4858 38126.8211 39763.2703 29029.5439 35690.1170 12758.4897 133879.3022 49525.1583 57818.2181 62420.3335 218331.1445 89433.2839 28621.9258 59905.8723 67956.7851 249053.7903 50718.5206 28292.3334 78753.5509 28693.8494 274276.6767 19341.1941 20036.9592 17617.7212 38098.6592 22894.9094 16457.2837 13740.6414 18420.7359 145313.1761 42903.4472 21357.7692 17697.8210 16699.1598 29511.2828 76646.0886 20859.0401 50344.4315 342105.5209 124088.8880 145451.6795 101635.2942 85529.7171 202658.0463 19780.7367 99691.1308 80946.0715 30092.8370 117487.1130 45503.8611 24368.3619 20223.0479 TAG(50:1) 13C1 [+NH4] 251936.3128 168691.2822 129752.5716 514787.5155 1071607.3860 79434.7991 23908.2585 104181.1653 19643.1687 211976.5325 43093.4217 562768.9172 240221.8895 137448.6058 176438.1840 37096.4791 350403.5739 84399.4832 234746.6541 43036.2362 860214.6499 167619.0295 45048.9382 31745.4028 189812.9381 138565.8451 259949.9909 41707.4469 31245.2733 672407.8654 234601.2379 243761.4917 514011.0795 1671206.7180 243693.5774 1179778.6990 225233.2233 265679.0251 83624.0454 415422.8067 1568172.9210 423091.8460 347289.6631 168695.2725 678839.0956 189182.8995 2858786.6680 77647.4833 103316.0909 106922.5665 79030.8120 206880.8191 175956.0809 132013.9623 59009.2924 31602.3470 99183.9130 967131.9220 199418.1200 74553.3072 84197.8757 23428.6511 35694.6131 96028.2000 180863.4400 310597.9334 127679.1442 35865.0156 219031.3749 2996482.0030 322269.6272 1289115.3830 1009576.7410 772822.1305 705116.9609 20097.0864 2018437.2900 90449.3777 17697.6114 608318.5030 432310.8780 39360.3334 113426.0597 514092.7200 219588.2948 91956.7483 38717.8941 18194.3344 23848.1878 122922.7845 TAG(50:1) 13C2 [+K] 36055.7895 10684.9870 TAG(50:1) 13C2 [+Na] 26073.5792 17555.2862 16534.4522 57350.7596 15326.7163 64050.3667 72272.3139 37190.2426 13484.9574 19629.7085 88473.8111 40521.5144 29336.2503 50085.8518 25765.3220 20209.6827 28739.2934 12222.4772 TAG(50:1) 13C2 [+NH4] 66970.8880 36373.5546 135609.0384 286290.8496 55751.4160 148626.3092 63963.0699 33782.6508 46624.4023 89624.3935 21829.4588 64201.7006 11402.9510 226399.9321 42942.4253 50781.0981 33522.7948 63379.3785 11905.6378 173449.6021 61496.4809 66565.4949 135556.0483 433848.8498 63113.8848 313542.7669 57698.6236 69017.4608 25305.5287 108394.4890 417747.4013 108240.9699 91815.6128 44302.1287 169139.6258 49762.9128 762150.3280 18991.6391 27800.2918 29240.1305 17874.5195 53907.2199 47283.3443 35937.7178 15154.6886 26529.8634 253862.7134 50731.3059 19343.4072 21029.4286 23856.9970 45803.0692 80707.6173 32403.9343 59079.6420 799087.3511 85971.9477 326325.0902 273088.4219 203320.8053 189708.8572 535037.2426 23717.6260 160753.4991 101835.1537 30486.0990 129735.3455 57955.4642 23090.9211 30844.6251 TAG(50:1) 13C3 [+NH4] 49582.4037 24958.5719 14752.5161 39501.8373 70403.5371 56479.2652 11649.1761 68742.2502 29789.8593 123457.7184 40151.9813 13604.9794 129422.0441 55413.7948 45732.8884 33601.7305 32915.8293 86375.7067 28061.5409 16550.2025 19143.6486 10264.3747 TAG(50:2) 13C0 [+K] 23896.7661 39529.4451 49328.0665 18890.8921 27749.5958 365769.1843 35318.5325 38435.9397 16021.2636 48301.7721 125014.5363 13473.5521 39138.8057 48043.9746 23593.6493 131721.4004 24059.0645 470763.5803 48145.8732 20989.7715 19931.7594 69910.0762 47442.0082 17985.0151 29067.0662 74951.0449 36264.6964 14902.9170 56101.8291 17000.3670 33735.4658 149811.4889 58873.8738 63501.9587 28514.7243 83659.8628 67663.3958 24294.3357 40579.5304 69913.7716 36345.2161 TAG(50:2) 13C0 [+Na] 186588.1121 81994.5816 127918.1249 277138.2921 37630.9972 54650.8385 102842.1008 267730.8805 99594.2184 52853.7147 87868.2842 22365.4489 137916.3874 44044.1788 149746.8934 19058.0321 159555.7358 75328.7263 26050.5112 25967.5379 123510.8053 92652.4459 47358.0986 26765.1332 287522.9583 114820.6078 130773.3484 311332.9858 236623.3054 51211.1430 197450.7204 42835.9109 107279.7596 43057.6897 152850.5723 649577.7319 110002.4463 101045.1989 137383.0802 72747.6248 525172.2526 28989.1635 36890.7345 51366.7858 106270.2274 37004.3711 37561.6779 32551.2191 15963.1615 38632.2961 171381.1440 104090.1694 54412.0644 31741.6040 19461.6715 26857.2088 29998.9191 114995.1784 130685.6058 43807.0805 126917.5673 889188.3756 69188.0365 264045.7001 310953.9911 287476.2973 260782.4934 614760.7218 73149.1176 289129.5796 118444.7268 66162.3719 170470.7698 92940.7920 65127.9773 19593.7601 17934.3772 16648.6746 47305.5924 TAG(50:2) 13C0 [+NH4] 860186.1898 360762.8526 404047.0674 1263487.7010 2399074.7070 206928.9710 42583.7697 299962.4790 54364.0452 673325.7489 71806.7971 1342761.4680 569965.9468 265889.8930 354352.1276 97565.2281 615934.1845 163166.1611 522101.1947 80050.4210 2102961.3220 294189.1493 140215.9738 87373.7489 512705.7461 386318.4717 330314.9488 86778.8066 54698.5358 1237347.4180 466613.0897 506568.3959 2007932.7540 1566879.6660 533310.3970 2305172.2230 303192.2283 394965.1618 188231.5559 799628.0631 3787520.8780 872356.4581 639832.3499 513166.1963 999986.9400 386929.1161 5061946.3610 102840.2794 173608.2917 292468.8402 152259.6117 493047.4534 287191.7656 277964.2607 128197.4688 67688.0173 197169.8596 1043754.1960 411785.3968 167102.0052 137871.4493 58895.3561 101824.4566 175287.2836 639907.3742 474842.0734 227109.4556 61067.9826 491038.3815 76859.2864 6777498.7090 811510.6968 2384509.3860 1864957.8930 1853779.0290 1830295.2950 45511.8732 5259496.5890 28339.6189 302037.8622 45400.2004 1609358.0350 25353.3832 544115.9393 64622.9826 217628.3648 667854.7473 414224.3475 207318.3531 91437.9790 71561.9467 59345.1419 256097.6406 TAG(50:2) 13C1 [+K] 22855.2987 29996.3311 17568.8958 214280.9916 20992.1887 25953.7737 70542.4537 28106.0882 86802.0207 276232.2080 27895.9655 20877.9080 39025.0661 27273.6653 18125.3593 41688.4752 23419.0137 33526.5851 22188.8286 94819.0295 41959.3055 40725.2517 49000.4184 46165.4220 25314.4682 41037.5908 19473.7011 TAG(50:2) 13C1 [+Na] 100747.3332 48174.7421 71731.4661 160362.2751 23357.0018 58033.7381 150809.7855 57901.0875 28327.8126 50112.1705 13201.7672 78606.4445 23879.7002 83935.1397 11868.0411 90536.5219 42929.4874 15808.0252 16054.4910 70670.0403 52249.8660 28109.5558 15046.3845 163499.8321 62812.9523 77738.8216 180385.8284 134118.6735 105596.9643 26039.9051 61008.9057 26174.8999 87582.2562 371617.2180 63664.7619 56766.8051 76581.7084 42344.3951 305653.8943 17378.1585 20779.4131 27649.9532 60205.8156 22899.2981 21919.0256 19846.2934 23183.3384 99788.7539 60384.0382 29697.6650 18802.6313 11693.5236 15608.3375 19475.4124 65894.9949 74391.4649 24606.8596 73339.4697 501598.6534 149375.5760 172317.9606 167131.3619 147043.8025 346332.9812 41068.1180 165357.1019 68600.4058 37383.1294 95581.5415 52619.4738 36152.8434 10952.6488 24770.6337 TAG(50:2) 13C1 [+NH4] 489266.2770 200202.8723 231345.8692 702657.0427 1350782.5280 121484.1307 24629.9895 169032.7230 28930.2050 391438.2592 41824.3879 769561.9437 323317.9449 153500.6549 200030.9364 57165.1882 349028.5047 92858.1329 294547.7091 44600.8090 1187650.4300 165117.4490 79001.7683 50834.3226 294528.9871 217298.7616 189210.1216 48968.2703 31560.2837 716090.3901 267662.9457 289711.4282 1122925.0410 877007.5757 298634.2562 1321615.1850 172511.8591 223383.4788 103325.7060 455564.9234 2116418.3450 496914.7616 367101.7513 293420.9211 569880.2843 216881.1645 2832714.4410 59782.9723 96247.1722 163916.0876 85488.7367 279152.2550 163040.8772 158728.1726 73704.1952 38087.2478 111409.1557 589563.5310 232034.9959 93543.3119 77232.0777 34255.1695 58439.0346 96365.5219 359914.6769 268497.6212 132699.1674 34682.7906 275127.4052 42385.8673 3845496.2680 458848.2237 1350380.4160 1061749.9970 1041750.2650 1041803.1360 26508.8622 2955410.0320 17288.2870 168805.9007 26098.5269 899976.9851 14273.1411 313824.6820 37864.9883 124063.8688 379261.0413 233587.5859 118239.2989 52435.5069 41193.4628 34675.9382 143485.6634 TAG(50:2) 13C2 [+K] 45575.3761 10369.5065 TAG(50:2) 13C2 [+Na] 40413.5324 35365.6201 15268.5227 17392.2205 19132.7791 23571.0236 16854.6082 14447.1156 43395.9839 30426.6069 14380.7127 85171.7827 66939.0163 15914.7080 19604.6939 14462.8604 17443.1623 16358.1066 111049.3578 41584.6183 39389.8242 38833.7534 35149.6283 81267.6575 12419.3984 36202.9026 16917.9919 20639.2856 12099.0271 TAG(50:2) 13C2 [+NH4] 113749.3806 54419.3407 153642.7278 297055.3086 28751.2608 42049.9121 89964.9322 167571.5551 71322.2898 32111.2117 43430.1797 14107.8193 69624.5207 19122.8035 64133.7002 10887.0457 263907.0478 32162.4066 18480.1403 13779.7391 66767.3674 49388.0920 37915.0763 11844.2253 142517.1799 56532.8352 62389.4042 269110.6095 138601.3764 64331.6735 280867.7178 35929.5619 42883.6311 25954.9804 96528.5421 464709.1597 110158.5621 76391.4577 67240.9598 107637.0201 47775.2617 592201.5203 13236.4322 21262.7183 38752.0740 21711.8448 63391.0123 32045.4587 33324.2230 16222.9505 24020.9843 99821.5321 50891.6957 21139.2229 16581.8950 14170.0587 23256.4935 82338.1891 51458.4948 28692.2689 64122.8873 840678.1722 99470.2195 286360.0207 209712.2452 227456.0111 234257.0275 662690.6942 39665.8615 205913.5063 56348.8846 25057.3402 68972.6133 48004.9651 25370.2158 10266.9816 30753.2742 TAG(50:2) 13C3 [+NH4] 23705.2904 50849.5748 78167.1081 25257.0775 TAG(50:3) 13C0 [+K] 25215.9922 30741.8772 33933.4432 14532.2387 17003.9517 207233.9352 28840.9956 21687.8079 27371.5354 12001.2812 30845.4319 58581.9989 228216.1904 19917.9659 36258.3416 13709.1870 36860.1711 28611.2922 16524.9167 19225.5234 32063.5912 26061.3998 22316.4644 54163.6474 21076.4057 90964.7381 41965.9296 67056.3479 46839.6433 23202.3873 24385.8320 40204.3512 15591.5243 19570.0485 TAG(50:3) 13C0 [+Na] 125642.9213 61373.7870 67018.2924 181272.9950 23797.1659 37476.6459 68044.6332 159437.4045 55204.3237 29342.0642 44595.5175 14755.1555 77402.6316 18814.4237 45322.2184 83332.7252 41594.0590 18121.6053 17814.4352 75784.6272 54725.3301 10153.2464 142375.0809 62123.1512 79596.8378 81043.5307 68056.9533 107472.0574 53855.3917 23478.5822 86058.5121 276131.7553 38799.1064 70588.6784 52698.1148 40078.8276 228007.2697 15709.4618 30800.3841 45623.1406 19333.8217 17262.3202 20380.4162 20725.4178 61458.5981 54360.9143 32289.2610 16016.0451 13948.7604 18665.4136 90022.9912 55404.6200 19949.6785 55637.5600 437719.0820 147020.2092 130130.2360 209255.9806 168653.3841 355173.6131 45187.6078 162971.1240 54966.2284 31175.7733 70272.9486 44178.7688 25265.3064 16019.6014 26383.0341 TAG(50:3) 13C0 [+NH4] 545715.5804 154153.6875 273738.8422 624818.0034 1444338.7750 111868.3365 25248.1492 170841.6860 33463.1532 400450.4479 32353.6991 723855.5476 285533.8162 136754.0273 168286.2995 58295.7820 325650.8802 66978.5367 150616.3765 39878.1629 1036170.0060 150824.3963 92236.9098 51542.0653 292344.8696 212249.6971 101791.4532 30119.3357 28147.7926 586705.0192 240137.3284 272094.7896 484176.6020 426478.8567 264733.3320 1140351.8130 98886.4835 178400.9739 90873.9390 440871.8277 1416561.9480 468664.9675 211730.3097 316741.1738 376161.2565 199671.5869 1980029.3180 34795.3687 67672.5849 181625.7384 72439.0407 203153.1427 131387.7970 129137.2735 70565.3954 27451.9006 95516.5425 339634.3750 199560.8655 88246.4704 65062.3834 39179.3565 67058.2219 66708.8015 473545.2252 188558.2257 99229.3882 23774.7138 205512.3441 50386.0045 3074058.3420 467576.1343 1168796.3640 733130.6235 1232646.3870 1059832.4420 27540.3715 2735981.8350 16015.7293 172816.8842 16227.7921 835400.0821 14718.7882 224605.6857 29544.2283 92219.0478 252976.2897 183831.2238 75582.5102 46752.4601 55751.4849 29605.7057 134324.6137 TAG(50:3) 13C1 [+K] 20702.6090 21965.9997 119142.3857 19348.3634 38211.2240 136881.2376 21156.6014 22276.5374 17243.1886 16341.7887 32862.0432 14329.7814 58730.0532 40953.1891 15305.7118 22930.9290 TAG(50:3) 13C1 [+Na] 67893.0525 40893.6814 43325.9279 98398.8207 38547.7594 90546.2827 32650.2540 17433.5286 25870.9613 45700.3506 11684.3378 26736.5619 47140.3184 22142.6857 43911.3083 30726.7202 81163.1548 47198.4731 40071.6456 57864.8834 31503.6373 48179.8406 156805.6218 22173.3785 40506.6090 34127.5027 23199.3887 124330.4051 18376.6142 25818.5487 12077.8111 34250.9341 31029.4438 18351.8131 12426.2239 52229.5941 31196.2312 249399.1311 78773.1211 68623.8568 119664.9011 92572.1688 199000.6965 25597.3606 90998.8819 30566.0074 16730.4588 39837.9127 23801.4595 15299.6306 TAG(50:3) 13C1 [+NH4] 304779.7988 88434.7410 154534.0897 360577.4362 808314.5373 64229.1673 97620.4168 19641.6826 232150.4239 404627.9020 164770.8739 78587.0159 93582.9810 32739.1283 184942.0776 37411.1193 84965.3618 21805.6102 588776.9140 85863.9061 51357.7019 30001.5907 165793.5364 121881.7515 58766.8608 15960.6403 17304.8556 326390.8599 140420.5437 158174.6460 269040.3183 236741.8262 146614.2280 647264.1831 57137.7555 102964.7011 52852.1746 248384.1543 798641.8178 261114.1179 118306.6134 178603.4385 217293.7972 111732.6453 1118739.2410 20088.1399 39686.8920 103408.0173 40770.9021 117192.2972 73176.1340 70752.6652 41598.8683 16438.5944 53657.6211 192771.2353 113505.4621 49086.3838 35895.4086 21886.1486 37451.6427 35756.1593 267332.1384 106006.6544 57467.5034 13750.0918 116136.2806 31390.7956 1750458.5920 263824.0144 673008.7417 414505.5938 694694.0461 608625.5767 16856.6629 1524461.7580 96638.9608 467416.5214 128536.2784 18357.3874 52233.5510 145879.4310 104412.5747 43100.6567 27362.1970 31810.7868 17563.8324 76528.9116 TAG(50:3) 13C2 [+K] 23458.3825 TAG(50:3) 13C2 [+Na] 20577.7670 27954.6502 40972.4743 18925.0411 TAG(50:3) 13C2 [+NH4] 58359.9317 35689.0855 59581.7110 140416.8237 41532.5174 67672.7578 26973.2243 18304.1624 30432.3955 92512.6624 15915.7712 28899.1169 21207.8664 54777.2012 101385.6668 15398.7378 41050.4465 32981.4991 21242.5399 168822.0724 18174.0758 19109.6913 18605.2886 52438.1647 256767.5464 52571.7169 99785.8535 117002.0211 104484.9814 260334.4231 17786.4152 75865.7308 16759.2701 TAG(50:4) 13C0 [+K] 69018.9895 27176.7289 21247.1292 18116.0787 59882.9220 13741.2801 25303.4474 25392.8887 33323.3677 87812.0559 18593.3872 16854.8538 18146.6418 17688.9412 20165.6693 16218.8618 15651.1525 31362.6124 51604.9476 21861.6521 64855.0914 48110.8863 28187.6071 16071.6321 19630.4853 35897.0537 25774.1819 TAG(50:4) 13C0 [+Na] 72870.6770 54604.9237 18677.1162 15992.5616 31126.6021 24770.5051 14096.2262 22278.3770 15012.3741 57062.2934 17910.8243 34009.7407 67480.4935 21029.6664 55800.6763 22121.0994 17707.5419 14538.2743 58136.2382 15252.7095 117188.1429 47027.6290 39722.1884 104308.4783 54773.7030 117694.2722 13124.1488 51042.0041 18960.2074 23930.3640 12843.1685 TAG(50:4) 13C0 [+NH4] 152242.7751 82858.9294 159662.2238 539793.0034 31606.9043 53965.1355 102362.6786 223290.1512 90827.9054 46759.1333 49170.9825 16293.6707 125580.9706 15493.0422 29289.2181 10378.9204 255109.1363 43908.5987 27906.4128 16513.5714 84841.6128 51076.4710 30431.6761 223597.8753 95285.1425 88437.2076 155025.6847 110384.0097 71693.6066 298163.4834 29428.1201 53566.5823 33032.1972 170549.5153 325772.6191 165635.6225 28675.6747 86775.5514 108060.7256 62584.6846 473177.8927 15370.5317 60619.9348 26389.2457 93377.9252 41344.7715 29569.5075 22057.2120 30368.5168 86864.2587 49835.2152 21211.4974 20498.6538 14525.1790 21404.3127 281152.2796 51273.6081 26538.0567 50543.3881 855029.6537 124111.8485 376346.4473 196449.6656 568272.2336 334040.4759 855544.4439 44563.9824 249116.5887 72042.1332 25149.9399 76160.6690 48004.1810 27968.2344 23588.6291 42308.9096 TAG(50:4) 13C1 [+K] 37064.2771 16682.8608 24188.2908 13216.5008 21480.9350 29736.8015 31228.9944 17004.2239 11823.1674 22786.3296 TAG(50:4) 13C1 [+Na] 42354.5475 30003.0839 17783.4573 13454.9943 10580.4661 39264.4220 13729.7687 32640.2363 70784.3134 58128.3723 32533.7803 66423.0379 28855.3510 14894.1443 TAG(50:4) 13C1 [+NH4] 88659.2085 47978.4748 91060.2743 306734.2069 56438.5659 125302.3059 49989.5744 27487.2640 27977.3077 71837.3172 16426.6747 144443.6412 25343.9777 17547.0942 46608.6401 30144.3151 126802.7224 51944.7173 50760.7391 88732.2656 63107.6936 164173.6059 30701.2901 96555.8466 186300.3705 93791.5502 49963.7393 61731.8467 32304.7652 268047.7888 34784.2604 52415.8536 23952.8899 17092.9902 13191.9784 18219.4632 50011.1301 28219.2857 12995.9258 13349.0625 158450.4336 28537.3950 15580.5245 488025.1716 68759.1460 211553.1074 104291.7760 332049.5682 186301.3771 482861.6351 24798.1905 143790.8030 40430.2447 14524.0240 43255.7908 27448.2328 15692.1207 13243.5797 23965.5032 TAG(50:4) 13C2 [+NH4] 28461.2951 53344.2716 TAG(50:5) 13C0 [+Na] 30235.6372 32290.5903 TAG(50:5) 13C0 [+NH4] 120308.7734 51641.7601 20646.2985 30381.5553 41549.8485 15086.9564 67370.5295 10740.2929 45915.1956 62408.1071 97038.3809 90889.5932 12584.7878 17083.2900 17884.6367 17799.0314 63501.0556 176144.1945 79906.0738 35296.7423 161006.9012 63624.8273 207771.5259 53608.7712 17511.6970 17842.6050 TAG(50:5) 13C1 [+NH4] 71500.0840 30655.2618 17165.7833 23888.9406 43178.7206 28501.5342 35029.7010 64331.0867 51828.5511 37061.6747 96337.4899 46916.5602 94663.9906 35374.1115 115196.5377 30117.8532 TAG(50:6) 13C0 [+NH4] 67357.1453 30981.0489 57581.7507 TAG(50:6) 13C1 [+NH4] 33888.7864 TAG(51:0) 13C0 [+NH4] 41096.5125 13448.2447 33685.3610 30155.8776 61367.2569 39035.7072 28356.6815 39310.7534 36101.8673 47560.6168 25799.4644 TAG(51:0) 13C1 [+NH4] 38403.6754 23652.9615 18083.9362 21331.4993 TAG(51:1) 13C0 [+Na] 20625.0531 18477.9461 TAG(51:1) 13C0 [+NH4] 51106.6833 138644.7470 66002.5434 26328.2676 21917.0023 20672.4212 50470.0030 15154.2998 10948.8409 61065.3563 26115.9571 17021.5265 124761.7421 99159.7538 87969.2322 41378.2228 65755.3163 167670.4187 84053.8999 29814.8219 20521.9562 82356.8543 21987.8027 193320.5899 14691.3343 13849.8488 23696.0484 24012.3215 14980.4328 62754.2832 20925.3585 23961.8345 19846.5838 27073.6233 354310.0072 64305.1879 158829.3883 136480.0335 111670.2862 78778.6557 202137.7329 54507.9995 78052.5290 94185.6135 18763.9131 24027.1814 TAG(51:1) 13C1 [+NH4] 81589.2972 37489.1597 15668.5593 28065.7713 35671.4789 16296.7603 74281.7557 55905.7070 51528.5279 23787.5833 37337.0599 94821.3488 47545.2025 112905.5050 13592.0460 35375.8414 13311.7500 14868.0419 16076.5858 208579.3969 92113.3007 78451.5792 65801.8308 46056.0818 123445.2626 31674.1710 45961.7300 54509.0882 11599.2047 TAG(51:1) 13C2 [+NH4] 26715.3030 59544.6250 23745.8622 34640.3545 TAG(51:2) 13C0 [+K] 25112.1413 TAG(51:2) 13C0 [+Na] 22257.1971 13685.4804 11630.9707 12355.8192 54193.4368 77210.2885 27419.1646 53209.1625 20430.5924 15445.0204 21717.5717 TAG(51:2) 13C0 [+NH4] 65926.6789 50873.0389 99616.5274 257537.3135 25635.2943 49671.9537 131151.1867 50571.8592 28465.7656 30471.4945 12480.0347 69980.7388 12091.3136 25496.7643 14732.6812 138243.2228 33229.7730 17253.0243 12676.2989 48074.2021 28869.2855 13972.5176 166594.8897 50709.1698 58013.0216 95259.6665 109599.7283 48844.7100 185048.6964 25201.5100 50225.9004 91683.6314 350673.1667 94435.3220 66177.5608 42880.4597 90935.0292 42913.7058 376254.9974 22535.5137 17211.3874 22310.9886 27207.3183 38137.3113 15068.4966 24041.2180 85282.5982 36781.6339 19123.6547 24868.6762 19804.7631 47945.6239 36163.4641 16584.4217 688271.6821 128346.4557 235064.7610 207263.0677 193144.0936 195993.0243 506301.7762 30149.7491 122925.6216 70022.6779 17464.3924 92955.9507 34249.6221 16537.1592 27609.0081 TAG(51:2) 13C1 [+Na] 25998.3158 TAG(51:2) 13C1 [+NH4] 59008.4868 149669.2689 29402.4648 74696.7935 29186.9146 17696.6172 18257.5402 42506.8541 15873.3043 78638.9899 19618.9418 26813.0871 17858.1847 95895.5847 36750.6796 61222.3472 61826.3277 106507.8417 30024.9206 53499.4963 204183.3417 62042.2339 35827.5217 26139.8010 53040.1741 27187.6126 222498.8520 12879.9136 13514.4793 16857.4923 20779.4694 15106.6014 49486.4161 21441.2884 10967.4808 15650.8507 28428.5438 20441.2334 405465.6036 71867.1370 132491.2282 117719.7433 111799.3116 114123.4443 295065.1225 17764.8537 71806.0946 40491.4077 52021.5594 20248.2967 17129.4920 TAG(51:2) 13C2 [+NH4] 38712.2888 19137.9502 21170.8269 48362.7362 53751.3391 92423.1578 28128.6606 27507.6495 30976.5551 73068.3757 18051.8116 13107.2702 TAG(51:3) 13C0 [+Na] 20119.2504 29464.5834 60239.8891 27777.0140 46649.4752 18222.8684 TAG(51:3) 13C0 [+NH4] 56405.7213 45632.6526 69333.6382 214380.7284 37422.6793 41871.8402 87285.2712 35882.1520 20346.1843 19083.3598 12328.1077 50015.8129 97009.8192 20460.1994 16353.2281 11707.4423 43618.1515 24458.9254 102118.4112 44027.3636 40608.3644 67064.6796 52977.3957 156979.0856 31219.1730 61632.1064 167560.0770 63880.7686 39010.8950 35771.0196 49775.5282 33555.5289 235881.8537 14180.7697 18585.3203 20218.0134 18219.4413 22350.4514 13382.5259 19175.8519 45513.3972 26065.4716 14633.9957 14576.4738 61267.9645 23985.8794 461136.5539 86983.1082 154913.4083 99531.4617 172301.3166 162904.4731 393293.0302 23457.6132 97078.7624 34291.7425 13102.4247 39734.2877 26244.2362 13125.8053 17796.6205 TAG(51:3) 13C1 [+NH4] 43919.6920 121995.6160 25473.0029 50446.3014 19937.9539 29296.4383 56368.3329 25058.1230 14784.2220 56112.1376 32722.5867 92283.6243 18066.5841 35702.4489 97393.1876 23131.6155 22899.3034 32940.6673 20173.0465 139222.1249 12808.8691 14467.6999 26703.2372 14913.9734 34510.0209 13812.6874 257844.6382 55093.0833 88942.4724 59818.0551 99477.8738 96093.0282 226695.6780 14144.2934 55294.8994 20020.2350 22189.4010 15361.8820 TAG(51:3) 13C2 [+NH4] 56556.7984 43086.0083 14890.5631 TAG(51:4) 13C0 [+NH4] 85385.8943 30602.4375 19000.8179 30066.9528 15718.9532 43240.1435 58132.1613 59017.9405 39819.3112 56291.5062 36442.9057 152463.5817 53110.2846 26016.7817 81276.6290 55325.7244 133896.3265 33698.7229 TAG(51:4) 13C1 [+NH4] 52799.4582 18380.4574 25430.0285 40302.3598 22633.5365 84896.3979 50726.4250 34759.6616 78045.7797 21394.3321 TAG(52:0) 13C0 [+Na] 12044.1032 183402.3944 17305.6631 TAG(52:0) 13C0 [+NH4] 110614.8331 31830.0390 23165.7817 26837.7022 19825.3028 20623.3264 18841.0946 49921.9445 15662.7589 29461.4057 22860.7780 18489.6365 33386.8176 124883.9183 12955.8360 12520.5837 116782.1346 38094.9811 76094.9159 93198.4248 53911.1986 65917.1559 33335.9727 34025.2388 29786.0803 47359.5360 55223.0132 206164.4637 134066.8617 17760.4362 173519.0013 19204.1820 16614.0544 69388.9267 39727.1219 47445.9565 19338.5740 10926.0472 18620.0750 57269.7061 18364.8208 12861.0320 51126.4585 20366.1748 46257.8572 22199.4888 14046.7374 262031.2816 57194.3860 141272.3099 39038.1534 88845.5569 115528.0316 22964.6301 1144419.3830 515377.3308 86368.4917 16372.0488 15710.8436 12401.5952 43977.6960 TAG(52:0) 13C1 [+Na] 126949.1586 TAG(52:0) 13C1 [+NH4] 67941.8337 17889.1569 31045.0668 20266.3269 15321.4699 24118.3244 80354.3828 69401.2656 57013.6911 22366.1038 30063.8014 38213.9238 129911.7511 76522.1799 107569.2041 41421.7474 23066.5195 27984.1155 14005.0876 36451.6250 13122.0378 32316.1059 29705.3496 15547.2560 165227.3677 86356.5830 25984.6793 56648.6016 74943.1063 16581.6886 670065.9664 304987.9653 55372.7611 11654.7945 26411.8819 TAG(52:0) 13C2 [+NH4] 206696.9591 15727.0753 TAG(52:1) 13C0 [+K] 71799.2101 20926.4427 55132.3730 181177.2512 50308.2981 19493.5517 34015.2678 69060.2118 23893.7878 24047.9940 TAG(52:1) 13C0 [+Na] 70022.3998 64814.4122 26602.5063 18187.5274 26631.5451 64592.1443 40014.2852 11077.7727 34515.2533 30866.4355 19050.2218 14469.5962 24620.5966 11886.8346 143799.4753 79271.9682 98740.7975 54677.4926 60234.0292 142949.9471 26391.4940 57083.6097 26193.8101 191803.1913 17947.4653 50078.3115 29056.6180 16748.2948 11790.2607 85285.2976 22798.6966 16029.7549 20208.0006 21494.8774 78824.8108 15670.5659 329516.2315 106009.7898 58484.8195 110195.8130 44272.3680 138499.1376 42602.5978 80053.9835 24566.0118 102049.9751 34224.8626 18664.4712 TAG(52:1) 13C0 [+NH4] 115594.5290 135219.8176 68107.1416 250778.5922 714721.1924 53363.5634 27398.6834 45708.2407 106706.2601 51657.7147 380927.1967 178717.9869 108043.8530 129890.9030 33004.9348 332731.7291 31139.5404 158883.5840 49777.1632 475107.2035 132419.2846 36284.9132 20776.8368 92027.3647 61964.4706 165315.8667 38506.2224 34496.6974 753886.6655 180309.4493 137655.4548 569630.4839 790515.3450 257150.6581 485401.1867 103581.5916 244946.4456 104016.7939 357895.6014 933053.0666 404476.9813 185091.8782 78831.7876 498275.5514 158641.5990 2008964.0120 50678.9226 102006.5007 45492.6526 55089.1386 271286.9811 242906.0659 125888.1905 44472.9103 21529.7686 59051.9001 591585.8579 107131.8996 55775.7109 100239.6906 18300.6031 26689.7483 73859.0150 118829.5017 326291.3183 88440.5787 59586.7845 91761.9788 2937194.4210 264564.6044 1079728.5500 481390.8103 826686.3808 358781.3288 20351.6480 1353591.0830 15006.0757 44885.5085 13469.2815 274386.5217 11740.8146 423124.0119 38308.8537 93411.3252 458042.3873 172138.7606 69638.0744 28486.4343 20528.3657 18094.4304 119066.7370 TAG(52:1) 13C1 [+K] 44173.9697 46541.3203 136720.4945 30330.2018 13529.8572 24746.4544 16610.5528 15070.3534 TAG(52:1) 13C1 [+Na] 40929.5132 34885.1949 15860.9046 16338.0212 34763.0375 24682.5261 17190.8881 12378.4503 79079.6506 59110.3719 31456.0853 31854.4700 79064.8431 34464.4544 102110.2072 29241.7633 18847.9462 49040.5790 14679.4537 10426.1458 13018.4279 45046.6926 177548.4271 58802.0274 34473.1384 56041.6022 73507.4722 23044.2598 45939.0068 14914.7406 59992.9159 19693.3136 TAG(52:1) 13C1 [+NH4] 70900.3603 88505.6873 44984.1163 159663.5065 438030.4282 32545.7132 66305.5645 30109.5731 231457.0733 107234.8026 63867.5966 78987.8313 20936.8090 200956.5601 20129.9704 97179.2989 30294.0502 292922.4910 80791.1148 21856.0061 13517.7920 58530.2784 39148.2028 96801.2254 22746.9356 20406.4315 448635.1484 111775.1461 84974.0423 338959.8442 470109.4829 153583.8561 303559.0098 61170.3929 146897.8316 61559.6063 217922.2965 566018.3184 242396.9807 117311.4087 47158.9384 299064.1801 98466.0402 1231719.6970 29997.2837 61685.6078 26240.3205 31797.5249 163817.2353 148489.0097 79550.5264 26873.3422 13943.0518 35680.6688 359623.3103 65307.5855 34656.2824 60850.3540 11417.3095 15805.4324 46331.5563 75354.7853 198167.8395 51714.8331 35245.2488 56747.9237 1784935.1590 157346.2478 657294.4711 294241.9799 495604.6472 222308.5575 827192.6381 28545.5479 165484.2856 252121.5999 22110.8344 58620.0413 274062.9005 105337.3972 41681.8668 17955.4965 12796.8751 70615.8796 TAG(52:1) 13C2 [+Na] 22944.3333 13765.7255 16542.5208 TAG(52:1) 13C2 [+NH4] 47313.9394 117050.1411 61740.7162 27728.5602 17827.4464 19911.3459 53785.7945 27087.2221 81907.3179 20771.0987 16223.8951 26206.0458 122642.9888 93175.9360 130363.3144 48320.4660 79002.7873 39366.4033 59682.5149 161407.3278 68817.6434 31967.7636 78778.4223 26022.2871 345000.3204 16821.2251 43374.0867 38896.9395 20406.8202 95366.9797 17842.2997 14347.1095 19453.8965 52032.3500 15152.7785 491979.0456 47074.0934 184839.3967 84909.7606 135450.5055 61531.1915 238512.1007 44961.9553 14944.6353 73447.2354 27236.1295 19708.8003 TAG(52:1) 13C3 [+NH4] 26703.8383 27806.5672 61668.0977 84010.2977 42258.5308 13831.6851 TAG(52:12) 13C0 [+K] 18566.4268 29116.5321 23560.1354 30042.2359 93260.2756 59204.0955 39540.7443 86646.6822 TAG(52:2) 13C0 [+K] 53409.3628 33224.7060 43997.0062 78450.6009 103158.4532 13225.1160 32634.7121 76365.9524 695230.6026 18778.3651 26611.3059 78529.7969 35915.1687 52448.9381 15843.4084 28097.2256 83662.3346 231916.0925 47656.6776 36557.8557 27620.3641 67287.3807 96500.3502 79193.4616 74129.4255 194731.3320 73566.9337 1275172.3690 66487.0698 91176.1404 50341.0352 35454.1782 144961.0095 135028.0005 36309.1312 58846.7213 177795.9410 71892.7042 13966.0420 27468.2018 51210.0471 94983.8352 33170.7910 62405.9555 19050.3129 367578.1100 93930.2379 102744.9154 46886.8043 215129.8283 48469.1301 171120.3718 15905.2532 34364.5298 19776.1520 20585.3861 30172.2347 60018.8854 175398.2305 42043.1886 17235.2487 18319.8027 TAG(52:2) 13C0 [+Na] 304972.2444 83674.3897 224392.8075 218753.8574 501392.5427 89250.3247 117310.4887 28265.4054 197040.5184 43319.6523 522028.2495 221218.3233 81723.3508 127065.2539 55013.7922 202351.2538 81337.7060 383140.2293 57145.6905 291920.4739 134524.4129 57148.1084 52467.2951 289855.8738 180758.8132 65786.7858 68945.8617 22874.6215 528525.9828 188059.7259 257023.2685 618715.1370 472100.0182 133323.1407 392623.7096 76115.3519 218775.4887 98267.8140 244651.6315 1267848.4830 177733.6622 402573.1387 181770.1683 199419.7608 273691.9860 1417591.9850 49828.4925 121629.0907 98086.7477 37856.6773 209595.7950 78644.9197 107722.6290 74875.5740 45935.3149 88383.3019 431670.8736 211621.9805 143215.2519 65436.1167 68793.4879 60562.3450 112058.7781 194885.2804 270060.0847 81888.3294 51948.6256 146772.4768 57894.1376 2257999.6650 174791.5931 411952.5223 512690.7954 490232.3677 675469.6392 24551.8041 1579766.2690 200481.7182 18991.8639 398546.9098 23707.4482 185466.9787 19972.9631 269745.2065 245672.7719 245241.4067 79976.8322 36663.0382 41250.6365 37854.2260 68726.7864 TAG(52:2) 13C0 [+NH4] 1463875.2290 559577.1067 1112849.2140 2258994.4270 4547309.5600 505556.8409 76050.6032 669876.2235 117635.7046 1363370.0170 243780.4271 2765770.2880 1322331.1450 451743.7025 551920.1112 262069.0238 972025.1893 325900.5183 1413638.5820 259655.2211 4185329.6920 551877.4770 324265.5701 181240.5417 1283402.1730 781493.2500 472780.8228 216394.0573 108294.8229 2431580.8760 856214.0947 1006054.6760 4082978.0630 3337018.9310 1598833.4470 4782365.8810 558684.8206 840812.5244 443884.5849 1350876.8350 7796411.6800 1657725.3180 2464663.6900 943657.4823 1554001.6830 1569722.0060 14233461.8200 189532.4224 630777.6370 594463.0826 414891.0470 1046318.0920 628984.0247 808581.4817 297650.7344 199836.8054 476376.3515 2781599.6570 888270.6947 460917.1488 307864.7227 223333.1310 250851.5715 627947.4557 1114547.3180 1046026.9350 448742.9175 211355.9806 595084.0938 276165.1419 18069459.1000 2089644.9520 3869800.4140 3182993.3630 3213315.6260 5080299.5820 152260.9584 14500037.5700 60645.7825 863850.4026 80433.4596 2350092.9810 80215.1650 12097.3178 911332.0875 119973.9256 957669.3327 997686.5847 1133932.5850 273385.2811 189887.5931 157786.0480 147012.6085 402567.9406 TAG(52:2) 13C1 [+K] 38964.2145 26895.6805 47429.1223 62042.8497 22139.1848 44067.2692 421096.8002 13164.4173 18708.2831 48475.0641 23453.8594 35926.9326 18392.7641 56473.1175 142163.7791 33359.5691 16994.2347 42953.7169 54289.6482 44093.4361 123876.3796 43979.5271 758440.5432 44026.5506 57083.0444 37570.7150 22217.2237 85967.9082 80854.1663 22630.6672 37340.9350 102151.9253 44720.2377 19782.2151 29143.5438 54974.7166 20283.7900 38664.2180 227063.7235 57436.1961 64657.5381 32662.9314 130680.5329 104496.6404 20693.6868 18430.1912 37033.0447 109402.4455 25455.5076 TAG(52:2) 13C1 [+Na] 181621.2891 133829.0192 130093.3782 294919.2544 52503.9769 66722.7257 119066.2357 27622.8415 313990.1513 129723.5398 48381.6957 74801.1709 34487.1860 120545.8330 49388.3563 230691.6325 34547.3665 172261.9546 81041.4263 34121.8918 31796.3351 172230.3294 106965.8643 39121.1023 39290.2516 14764.5607 316837.9243 111846.4876 150508.4720 355351.3573 272968.9092 79118.4523 229376.4596 46414.0149 130118.2907 57681.9677 142884.0115 756731.6019 240079.9202 103818.2062 115850.0373 162002.5074 843072.6688 28730.4476 73990.6308 59235.0560 23996.1234 126297.8120 46448.3925 63987.3571 44396.3736 26986.6805 51617.7038 253217.8642 127592.8531 83768.5492 39103.2197 43361.2747 36848.9575 66919.9041 111759.6887 161910.2175 49252.7599 30529.7338 86360.1265 33825.5647 1326849.0850 99658.9750 245892.6205 295036.8590 282465.7209 392886.1136 927470.4842 120720.7717 12557.3080 235422.9412 15070.4143 110817.7465 162018.6528 147110.9842 145574.1853 47004.6093 23647.8336 24238.7255 21156.2616 41521.4853 TAG(52:2) 13C1 [+NH4] 877583.5039 326778.4619 676576.4189 1329245.9510 2693447.7180 303449.4904 42793.1582 395194.0541 69762.3459 809218.6988 146513.0362 1623564.0800 779683.5223 268632.4987 325369.4361 152340.3367 577251.5667 194769.0428 837628.9078 155368.8275 2455826.0880 327287.5358 194432.7052 106730.6036 756145.7937 466582.9417 284816.7406 129198.3060 62890.5778 1453202.9010 513465.9647 600052.1988 2412425.9310 1971121.2660 950319.1640 2833814.2890 325091.0915 501054.3006 268387.3356 807573.6034 4522308.9330 975067.6630 1454274.5160 565985.5473 914603.1108 928557.1540 8258653.8660 112226.4129 380358.7295 356603.8300 248352.8014 620588.1241 369874.4047 481472.8946 177971.4984 117741.6821 279129.4355 1631745.7290 526202.9294 270940.7254 183000.6641 131596.7023 149188.3434 369421.7862 669200.6345 622943.4691 264616.9210 125232.6715 349179.9028 164219.2396 10539592.1600 1240029.7180 2292924.5770 1852142.8070 1895769.9650 2963993.0090 86582.2137 8429271.4620 35107.4523 511433.0974 48995.2553 1380409.8210 44298.7819 538214.9423 71423.7199 569716.0403 596160.5316 670273.3076 158172.7507 109323.7588 95884.9249 88723.0678 239086.1370 TAG(52:2) 13C2 [+K] 13353.7091 113583.9779 15222.0935 36968.2918 224951.4242 17177.0526 22514.7197 21819.2285 28739.5604 70837.0687 37788.1751 28506.5314 TAG(52:2) 13C2 [+Na] 49336.7911 39282.9425 75831.6440 32093.3992 84023.0194 34969.6096 21785.4591 31097.9511 13606.0938 63672.8314 11004.8310 48133.1940 20709.6286 47900.9455 29238.5461 11391.3589 84285.8678 44666.4972 93884.9078 73308.5816 61910.3328 35091.3927 37556.0282 208981.7064 64524.5354 29957.9391 32473.9734 46953.0739 234435.9609 20879.1942 16103.0233 33065.0530 18232.3916 13191.0719 17233.4871 68958.7129 33454.2131 23521.4170 12376.5164 19231.2310 30415.2566 41733.5766 15424.1888 363622.7589 67762.6109 85122.1601 78770.9062 111274.7395 257212.2032 34650.5775 64906.3159 28472.2229 43809.3010 36081.4068 40665.3597 14078.7151 TAG(52:2) 13C2 [+NH4] 237952.4840 93511.2840 185197.1956 370546.6031 727720.4960 83943.0917 111668.9443 20681.3889 224215.2330 40713.5104 442990.6981 211548.7973 71211.5018 86967.2263 42993.4214 149408.0755 53727.1339 228277.5380 41366.7081 671179.9112 88043.0756 51842.0706 30473.1625 209181.8040 130812.8735 70998.0011 34473.9236 17619.0497 383542.8328 137327.6591 165813.3025 668353.4552 519413.7330 262496.8762 778971.1831 88462.7832 132158.0967 69003.9730 214063.1862 1222967.1790 262378.2771 402874.4974 157834.2925 239635.4267 252430.6550 2231581.8380 30937.8960 100034.1980 100364.8464 68978.8243 167224.0238 94227.9425 132268.2695 48275.8848 32366.9585 78177.4043 433528.6139 147429.4482 74874.2660 45975.7351 37005.1105 41727.6514 99191.8063 185298.2199 159022.3102 72034.4151 33145.7489 99439.1999 44974.4337 2849752.0190 345258.9072 606437.7208 510554.8348 496926.1046 817694.5540 23610.7064 2285236.7460 145386.9873 12946.0708 381528.9601 13338.5016 133384.1607 20498.7654 154588.2071 146504.9718 182553.9250 43142.9020 31094.5260 27109.4033 24786.4627 62837.5107 TAG(52:2) 13C3 [+K] 23757.5578 TAG(52:2) 13C3 [+NH4] 46935.0264 64296.5579 116668.6302 39828.8257 75046.5520 35395.5629 16276.3704 21746.4377 10607.7701 38478.0852 119364.1161 14896.9661 37700.7924 22662.8657 59051.8648 111294.8265 82585.8738 48822.4165 132486.7893 20384.0295 34245.2530 207147.7594 71778.2504 28154.8272 39952.5434 44106.6204 389912.8122 17307.6876 17661.2415 26633.7730 16546.0457 22649.6031 15875.6331 67289.6899 24478.9200 13608.6123 19220.0812 32163.3714 24222.7696 13641.5088 480480.7034 60287.5330 93492.7054 81124.0699 74463.8636 146420.7591 398598.9916 25702.9643 64735.0350 19749.2861 26472.1941 20515.5954 30922.7416 TAG(52:3) 13C0 [+K] 57755.9333 62201.5118 84019.5018 40312.4013 48752.5235 72107.2487 113506.7944 135618.9604 45350.7223 19980.7481 21635.5489 17833.6747 51437.8781 49347.6809 964586.0752 25332.2803 51516.4132 13404.1347 141442.7359 64222.3452 39649.5112 42044.5115 121737.0533 41096.4992 461221.5385 37751.2868 36945.0310 34366.7066 27249.0231 83510.1490 91580.2149 90529.3216 103206.1694 26358.6476 208848.7789 92644.2061 1502605.6100 68336.1174 175046.3157 87462.6813 70358.7716 138393.9830 155965.3598 56527.3340 21351.6746 94651.1940 164453.2655 115547.1085 19951.5043 30804.8172 14577.8423 14832.8448 59968.8444 259570.1062 43312.7611 76801.5898 23104.2852 37851.6695 504829.7140 126629.8950 102629.5251 76920.9244 333769.4267 75460.2789 265908.2655 26384.1345 29290.7511 61630.1832 22657.3127 26613.7547 31708.3868 46940.5297 288442.4136 77299.2207 36302.8436 20350.4341 TAG(52:3) 13C0 [+Na] 485630.1344 436492.0487 278608.5869 740801.6654 103851.8389 252024.1413 46434.5152 307250.1097 42556.1482 712162.5810 271053.7372 125591.4002 170092.7957 82991.1339 247490.8422 118248.7081 230657.7860 79154.3049 391258.8327 165362.3107 94974.6979 82291.9030 457424.1015 294760.0246 45633.1641 46590.0307 30718.7290 691854.5728 271544.9005 292105.2051 1174515.5950 366285.8750 159657.4686 577858.3753 75936.2058 258057.9301 169815.6182 308306.2185 1111259.6230 202112.6132 488743.1683 296116.9416 204284.3150 317923.5688 1617272.8380 46167.7225 117275.6713 166364.6995 58907.3917 368479.3884 74157.4314 110119.6129 118903.6240 84508.9675 130198.7169 360458.2985 308704.4913 187615.5060 68859.0540 111834.6181 107092.5498 127116.1242 495184.7352 316678.7493 93696.7427 55882.8569 146949.9062 89088.1336 2902218.0820 230751.0503 518691.6619 489694.8371 760676.9349 957338.3033 36304.7501 2305788.9100 21608.1525 309994.9110 31729.2506 639736.2658 42362.8934 197712.7045 24166.9502 274704.7885 169322.1288 347954.2273 134504.5228 47728.2550 85734.7861 46160.4431 82889.8530 TAG(52:3) 13C0 [+NH4] 2057221.1520 414835.2568 1948655.7360 2647233.5550 6141738.8190 525135.4471 79840.8845 1280939.1520 173520.3662 1879001.3740 197061.6972 3271560.9780 1446986.3350 586876.2516 641076.5246 341863.8745 1081440.4840 423779.8333 751228.8561 306487.3017 5088966.1750 612835.6233 488825.1826 249346.6317 1850638.8000 1187440.2220 300836.9548 135304.6088 134905.0547 2910743.2940 1106067.1780 1048315.7160 7260522.0350 2334968.3850 1730061.4080 6630915.8720 508783.9303 868685.7759 701903.1632 1537916.2260 5922626.3480 1743310.7850 2649478.8160 1393426.4000 1467445.6020 1591619.4830 14988899.6100 158581.0029 550563.1377 941332.9929 608839.6872 1704444.6000 555089.7709 795824.2807 427450.0739 317415.7902 635817.4150 2145641.1020 1160043.1930 524727.7611 291016.3880 302584.1735 378797.4396 637560.5273 2656664.1980 1099997.3820 480220.9436 211514.6998 522804.2056 393374.6387 21704619.0900 2566159.2400 4369605.4550 2725510.1010 4596645.8760 6672070.0970 227448.1531 19650466.3800 79908.6853 1202450.9300 125497.0618 3468874.0380 123464.1644 834540.7012 132211.8827 847328.1435 629238.5913 1502518.8210 415015.0683 218214.9689 306048.8805 167917.9014 439215.9644 TAG(52:3) 13C1 [+K] 52030.0435 26298.5305 44662.3980 68438.9970 82841.4743 13322.0766 32197.9664 29350.4950 573658.4751 16813.1041 31067.7883 83649.9997 39744.6296 26605.6437 24946.6734 73233.4522 271089.4232 26638.2757 21133.4746 52951.2553 54847.6108 62222.7646 59532.5719 132620.8825 55258.0104 896423.6481 43149.0724 103996.4154 55177.3521 42768.9074 84228.4538 92363.1252 36022.0563 14729.1670 56613.0667 100634.7546 70087.4559 12550.5968 19031.7787 38523.0495 152511.6455 26225.8505 45321.1960 14375.5850 302107.1876 75921.1912 67271.1297 46763.8223 200851.6410 52374.1192 162071.7914 16418.3771 36612.4126 15947.6294 19045.7085 20812.7449 27309.9725 170603.4895 46053.9901 23826.4972 TAG(52:3) 13C1 [+Na] 286028.8757 256025.0472 164699.0347 442136.0674 61110.2703 148022.3194 26680.9823 182637.2255 26379.0529 419188.8161 159978.3460 72392.2367 102270.0352 48011.2844 148456.2590 68576.3264 136375.1822 44976.9717 233398.7984 98381.0960 57762.6967 49684.5518 270100.4740 173681.9723 26284.5542 26952.1711 19276.2772 422317.6245 164519.8218 176243.8561 694908.4618 209845.2488 97638.3903 346585.2629 45896.1623 154736.4213 102318.7124 183034.8022 663612.5322 144871.8078 289837.3291 176100.9661 123545.1779 187411.9123 951034.4636 26188.4733 71821.1650 99117.5922 34603.5933 220910.3513 45177.1300 65862.7388 68648.5300 48814.0676 78228.1128 211738.5855 182488.3203 112312.1038 41546.9199 65964.4248 61880.4220 74757.8803 291836.1706 187878.9914 56051.3814 33000.9359 88913.4412 55513.0541 1728707.4670 138374.6086 304108.6274 285547.6998 450798.6466 571733.0085 1358357.8000 184534.4097 20486.7417 382567.8845 24069.4823 115668.0260 163394.5943 102213.0670 207510.7691 79463.4076 28496.7509 50924.0671 27009.7752 48961.3029 TAG(52:3) 13C1 [+NH4] 1244006.4440 239882.5798 1138600.7130 1573161.8340 3617920.0840 315799.5991 46224.2516 760678.4544 104291.1952 1104459.6760 111761.1055 1927292.7400 849153.1962 348875.8629 378741.0578 204736.0449 630836.9369 254834.7435 443463.5694 181884.8642 2963697.5590 357689.2727 291462.0259 149025.0960 1082884.3600 701967.6986 180414.7931 80257.3416 80505.8226 1696474.7090 654905.8781 622969.0845 4274717.7350 1355212.2540 1028344.9990 3925386.0580 296062.8973 509551.5679 415995.4392 911514.2002 3444341.7810 1041522.4140 1551754.2430 819908.1231 870385.9375 928248.2713 8637903.6080 93087.5438 324961.0444 562007.4096 358690.8821 1005292.0260 323958.6259 470657.8657 253971.8298 189442.4450 376030.3375 1249558.3510 675833.2819 306556.5575 175079.5859 177779.5805 222135.8152 382490.6374 1552998.0370 656774.0112 286133.4252 125870.4313 311607.7416 231214.4547 12522297.3700 1529497.8280 2582620.1070 1576285.5210 2674182.8750 3881625.5680 136477.0535 11260540.1200 48746.7140 700664.1640 73662.8160 2026336.5400 74502.2086 498105.7991 79327.5880 501506.7208 370569.8042 876665.8472 250098.1324 130979.6328 181968.8218 100395.3109 254616.8914 TAG(52:3) 13C2 [+K] 19143.6716 23761.7414 125662.3892 20949.2443 72366.3169 33473.0216 208252.0729 26156.6372 13053.5237 20054.1390 20205.5902 16244.0066 22994.7086 17768.8257 38940.4016 82438.5238 43750.9444 41398.1516 39811.7313 13234.2304 TAG(52:3) 13C2 [+Na] 69089.6543 62759.9267 44944.8546 104259.6053 41052.8931 42940.6936 98695.0631 38036.2437 17913.5707 23933.0728 12221.7305 33433.3403 16751.4155 22784.4071 12041.1281 53004.9148 23197.6099 15854.9995 13305.9436 65031.1724 41054.2706 93090.7303 42758.4250 43732.8455 165467.0361 41363.3811 82128.5066 34078.4376 26814.1702 43558.6732 143640.7909 63798.3889 41316.5700 30847.6937 41321.3026 218690.1102 16148.1944 23609.6652 54512.4525 15558.1176 16818.6012 13277.1945 19146.5850 42506.0725 41585.7901 24889.0917 15357.0896 15475.2328 20350.2442 76946.6156 41863.2144 14322.9845 408323.9021 69609.6653 54342.5275 107622.6485 135677.3992 332703.8713 43627.0064 91916.2893 24064.7375 34393.3187 19053.4859 49059.9267 20049.6396 13935.1996 TAG(52:3) 13C2 [+NH4] 280297.8683 271697.0895 343273.9180 831062.1519 66505.1515 184078.9968 24181.6600 247878.8940 25822.1799 427430.9026 181474.8130 78302.2081 84022.5542 45653.3490 136294.3905 56089.7016 69027.6764 39581.3179 645835.8056 78682.7383 66977.0786 33393.1168 249566.4676 163058.8621 34145.2857 15151.7377 17920.8986 384650.1966 150442.8820 128638.2621 1001955.2080 244672.3385 221794.8978 907122.1106 57847.2803 107490.2341 96477.3741 200278.8242 602869.5153 221894.1498 333120.3576 188317.7719 180953.7580 197559.3166 1794721.0430 19767.8841 67462.6686 136558.1787 84775.7549 239839.8308 65374.7566 99632.6253 56829.8830 41882.0591 84005.3355 237132.8888 155746.4269 66287.3990 34730.2710 40087.0170 50631.5244 80345.6724 389107.1858 138276.8319 59319.6910 26116.2718 62126.0032 51344.3986 2683296.1760 341367.1103 569612.1795 312680.6239 598035.4947 872910.6499 31603.8262 2411229.2450 157331.8525 17783.9926 464845.3836 16749.1964 103578.5266 18123.8658 97521.3227 63585.0218 193160.3518 57713.1320 26851.3704 44221.4122 21496.7145 53856.1929 TAG(52:3) 13C3 [+K] 20465.1427 TAG(52:3) 13C3 [+Na] 59443.5876 37448.1210 14661.3844 TAG(52:3) 13C3 [+NH4] 43320.0572 14596.1163 126900.8583 16982.3593 29060.9875 54480.3023 100974.2288 281504.0290 55385.8776 TAG(52:4) 13C0 [+K] 41495.3456 49706.0210 39001.9972 39907.9893 64473.9521 75917.8552 29383.1329 15378.2078 509318.8749 15786.6117 33921.9321 80338.4169 38230.6973 25551.8841 81911.9342 707988.1402 18109.5616 48435.2703 37864.2676 39267.0441 100003.4610 44669.2130 663308.8949 34871.8753 108607.0782 50053.9767 52929.1943 72327.8705 68970.5024 37326.3974 14561.4468 52703.2717 63841.4686 62557.6315 11652.6118 17151.4877 25011.0160 242603.1842 22678.1617 40516.6752 271211.8749 68118.4331 47891.2047 53836.4493 190388.8622 47965.2646 143410.2720 16215.3563 23251.0478 41107.1989 15276.8565 17893.1949 13277.0877 21525.2043 154447.9103 57275.4820 31867.5155 TAG(52:4) 13C0 [+Na] 262445.1985 260307.0521 136101.1107 407668.4766 44692.7494 167987.4889 27975.9062 159434.5042 372480.0668 140965.4476 67368.1738 91245.6932 43960.0902 134738.8550 58773.8474 67867.9424 36398.6986 193275.9634 85817.4849 55675.8404 45678.1035 237062.6399 160418.5284 21765.5532 13972.8430 18793.8137 430887.4234 159145.9932 131839.1320 1670607.6740 125564.1802 77967.1957 307691.8417 30304.7112 136267.6544 113106.4358 167413.5873 429188.3597 175745.1137 166538.7686 91044.4978 144749.8787 663412.4726 19493.2793 44406.4397 96701.4786 31892.1976 240581.7277 35454.2474 46918.1559 65875.4568 46444.4215 65412.2391 130843.6734 155797.5979 91364.8941 33300.8228 62901.0913 61326.1360 46985.9887 419854.3783 145194.4807 45590.4608 25961.9079 65190.6525 49634.8057 1403499.2700 107661.1718 265683.7720 192040.9048 494766.9495 497457.6570 1123953.3150 165813.7608 22815.2028 380585.8158 25642.6549 107104.7452 89362.6789 70724.3514 168599.6516 91332.5616 25388.1572 67513.9460 20475.0263 43123.1166 TAG(52:4) 13C0 [+NH4] 1084056.6610 155604.9639 1102041.5560 1228850.3940 3158753.1790 219252.1040 40837.7520 803547.2703 97641.9385 916924.7267 70684.2845 1583287.3540 695792.8598 305634.7525 320972.1074 174536.3216 550953.0361 198952.7653 209471.4473 139280.0076 2375270.8860 298931.9705 279450.8535 134688.4355 904119.5957 603121.8298 123731.7482 38537.2021 73678.4008 1691535.2430 605737.6046 441698.2431 10134271.8900 757222.3362 793348.8614 3296528.1080 200719.4897 424794.8096 440102.9403 802879.0481 2091796.3610 823408.9684 883353.7949 708471.7339 626487.5009 670142.1314 5694290.0930 62309.5561 198046.1201 527276.7091 309762.2461 1045327.8730 251044.0062 316754.1612 231780.7456 163879.8814 309309.0761 714726.6679 544863.1505 237163.2062 130562.1246 161952.0462 205520.8351 235218.0604 2199955.5410 474515.7049 215633.7437 84547.3103 219053.4838 204315.7337 9785055.6120 1171861.4730 2083366.3870 1007170.6040 2860781.3610 3188197.3100 128480.1143 8658447.0910 48284.4479 596098.5353 83310.6921 1921354.1450 71113.4304 417831.0307 69537.0295 254918.1289 237806.3879 703329.1062 281947.2427 108335.5690 233414.1786 73229.2499 214453.9431 TAG(52:4) 13C1 [+K] 25773.8270 40022.1205 47218.0504 18776.6007 302583.1262 20409.7290 47356.9352 23504.4511 15995.2440 52809.6877 421362.7863 11985.3583 30981.0399 25125.7501 24792.1461 62647.1591 29966.4755 390974.4749 64740.1653 32131.1285 31434.0730 42101.2232 41211.0552 23362.5604 31279.3530 39308.7048 38005.6440 18245.1299 142637.9803 14560.8101 25091.4619 154158.6231 47375.4830 32578.1083 108652.0763 81646.9460 22770.2071 90966.6565 34184.1575 20098.0630 TAG(52:4) 13C1 [+Na] 160125.1737 153009.0805 80829.2635 240602.6335 28249.3013 102164.6981 89997.3250 221804.2265 81409.1666 39796.5661 57344.0486 26583.7530 79556.2041 35006.9108 39856.9006 21394.0366 112359.3096 51137.9628 34317.9870 27558.3885 140583.1341 94462.6124 257534.5254 95651.9671 75495.6142 998467.3927 74851.5311 46096.4395 179352.3370 20877.2950 77915.2898 65390.9865 93378.8327 257177.5641 103816.5708 95844.6345 50152.4641 83839.0680 397781.4849 26102.8250 56447.6201 20123.8898 143305.9476 21669.5786 26621.2065 39036.8635 27621.3223 37012.4466 78573.6645 90611.8218 52786.5069 20143.5633 37524.3657 36025.8887 28332.8764 242507.5802 85737.0532 26774.5172 39321.4665 31373.8710 842203.4815 65899.8941 163237.3151 112549.6992 294154.0954 293120.0247 676033.1952 97987.0069 13756.0113 227836.3996 15332.3086 62492.2419 53418.3624 39673.2318 101053.5067 54994.7548 16791.1099 40142.8029 13399.2238 26026.8357 TAG(52:4) 13C1 [+NH4] 643258.2477 98029.1907 650686.5622 720548.0688 1860069.4290 130341.1209 24283.4033 474529.2950 56186.6537 539875.2336 42148.1949 935884.6607 409132.0483 183406.7804 192735.3485 102995.7712 325169.3453 118439.4816 123164.2076 82879.8581 1399280.7480 178907.0900 164578.7784 79705.0717 534881.2724 356792.8057 71870.1848 23329.5978 42684.2816 999388.0501 360993.5675 257132.9435 5849559.1410 450426.5162 464659.5031 1948482.5450 113957.6367 248842.9023 263251.0073 479326.1156 1223462.7350 499633.1218 530134.4723 418735.3086 370978.5080 392233.6076 3349041.9020 37368.9133 115425.6296 308270.8175 182413.8669 619131.4679 148625.8820 187830.0793 138148.4387 95975.3178 181633.9409 420909.4469 322098.9319 142715.7864 78013.0252 96086.5712 119057.0659 138053.0287 1282517.8930 282151.1459 127570.9068 50375.1442 128479.3950 119870.3123 5722214.6330 689662.7853 1245817.2300 597760.4658 1667553.8880 1879132.0240 74823.7667 4969623.7550 28323.2596 349149.9593 49931.6183 1124033.0450 41595.5659 246709.2757 40256.0073 148378.4009 140391.3361 411918.6243 165624.8424 63119.2880 139354.8573 44153.0615 124746.9365 TAG(52:4) 13C2 [+K] 44592.2737 97310.3907 13679.9802 27836.3408 15186.9253 TAG(52:4) 13C2 [+Na] 36809.9152 44503.7117 21982.2788 36545.8991 16048.5575 16496.6356 23618.5765 23229.9133 17998.8521 50241.3757 233589.1858 14080.9487 25243.5762 41563.8629 22421.1293 17287.6100 66485.5028 12472.0695 26939.0626 9795.3566 16028.4032 50703.1690 14318.1019 141295.9644 52923.3328 51036.0928 111577.2708 17094.2693 40701.8471 16840.1440 12933.5635 9938.4423 TAG(52:4) 13C2 [+NH4] 96972.1932 95526.2829 107318.1427 274066.2406 81973.7708 78066.7435 141076.8041 60123.1198 29027.0747 31895.6714 16655.2818 50390.8261 18048.9686 193129.7387 27007.8051 26950.2842 15120.2580 76974.4819 53071.1423 161474.4287 60160.0780 1319168.0920 69296.7328 288551.1737 37339.9116 45430.8798 69172.5672 83087.3192 64920.3343 56654.0568 53868.9163 422783.5083 48230.6020 29144.3426 104447.5473 26310.2212 21156.5270 16627.1909 26387.7382 44776.3630 20149.1291 15769.8260 19658.8093 248957.7383 41007.6155 20400.8952 756246.3840 100818.7308 178758.2152 267461.9434 278563.1412 17125.4044 637799.1170 50744.9504 11218.9061 186607.4014 40257.5870 58071.0518 28683.4561 26214.2785 TAG(52:5) 13C0 [+K] 21765.7138 24238.2347 117088.3473 20394.9385 183544.1432 147299.5103 25908.4700 25566.3711 16625.1790 14953.4792 62877.8023 74025.7323 47021.1587 38158.7105 25999.5148 13064.1985 TAG(52:5) 13C0 [+Na] 74300.9281 53833.4649 98449.6510 38316.5483 36816.1387 102141.1174 36794.7676 18046.8268 24253.0309 35028.0305 12207.2527 16538.3353 41490.4573 20496.4360 17052.8196 13615.7518 48986.1447 32535.2074 137219.7984 403208.1861 28367.2614 63388.1225 30715.2242 24566.3058 49186.3281 105473.0076 21380.7158 37665.7703 29419.5949 112354.1735 21200.0812 34114.7613 14554.7004 15080.9712 24065.0436 29270.1952 17139.7286 16142.1201 13997.1346 103921.7066 29357.3260 337875.9947 62766.7250 44278.8921 140678.8370 112654.8855 242070.5901 35917.0973 98432.1538 27713.5387 15053.9149 20188.8734 27409.1193 18014.3161 18601.9657 TAG(52:5) 13C0 [+NH4] 265980.7157 218951.2255 272679.9284 712877.7769 47261.3542 156436.8768 22520.8404 194723.6359 415458.9600 180625.7678 67590.2197 82238.3723 37937.8922 139410.0691 38915.8585 44882.5656 23656.4184 496509.2749 69476.5100 67605.7070 33828.0842 184939.6357 112025.5739 37484.0246 16298.1006 527491.3898 135627.4370 89236.1863 2360785.2460 147105.0540 146912.1858 644692.8194 39569.5671 92656.7903 92852.6189 231813.7717 480901.3563 291908.8471 96404.6279 156256.8640 122021.6787 133990.3612 923451.4491 14345.8298 28345.5076 116888.0093 44432.3338 142073.1764 79712.8148 62295.7731 49632.8103 23597.7513 56778.8776 119932.9274 99278.2585 46411.8061 29530.2096 39801.0696 41663.3621 29401.8231 506852.0140 94660.3242 48375.2017 15684.4655 57946.2778 44885.0467 2221972.4690 217702.3702 481398.2702 245331.4669 772288.1580 685967.4677 23855.2157 1720865.1340 126792.6623 14865.9546 466011.7479 13868.5849 101797.9250 20544.8131 42341.2304 64463.8964 107744.7408 51877.8842 26925.1963 63373.1243 15863.6357 59546.8235 TAG(52:5) 13C1 [+K] 69671.7347 112508.0364 16689.8675 36494.8868 30240.5459 15475.1198 TAG(52:5) 13C1 [+Na] 45845.0751 57086.4667 62671.7144 21613.5973 15743.2947 20141.2319 27178.8750 30266.8050 18899.3356 82570.3450 239644.4994 17350.9057 29643.9938 60878.2012 22890.3452 19323.5795 69295.1918 13255.0376 19428.2268 17655.8443 11835.2672 58987.2901 17186.4359 197120.8400 41554.7471 85328.6169 67381.7127 145102.8001 21324.4864 57783.8924 17202.4913 13683.4637 15723.4398 11911.6311 TAG(52:5) 13C1 [+NH4] 158069.3440 129454.1765 161963.5665 418974.5979 29070.6559 91906.0604 111792.9953 248959.1385 105863.2979 42276.3459 46618.1460 24020.8533 82413.9034 21204.1970 27354.3184 14805.8140 296516.9329 40847.3998 39981.7065 20507.9021 109931.0000 68375.7150 24999.4329 307352.9694 82155.4766 50975.8408 1390620.1760 85838.7308 83974.4751 384820.0683 23522.1030 53100.1409 55879.0484 138399.0338 284964.9475 168141.0513 56109.3203 91471.3381 72230.4659 81746.8187 546459.5941 17151.8480 66281.1825 27151.7752 85166.4844 47017.2704 36119.7111 29228.5620 14740.3091 33725.8458 71943.6702 60505.9026 27101.2719 18515.8135 24009.4108 24691.6105 18662.7232 302158.0413 57017.5813 29582.4150 1317656.5380 132823.4740 281577.1876 132981.0313 461372.6230 406727.4382 1023223.2860 75116.7659 276365.1412 61516.8040 24234.8836 38312.7521 63906.3649 29696.8017 16172.3883 38539.6355 34608.7225 TAG(52:6) 13C0 [+Na] 23191.3014 17642.4173 55225.7803 25949.5321 52661.7594 19166.9887 TAG(52:6) 13C0 [+NH4] 46043.6697 129119.2334 27853.5578 88415.1772 34670.4925 17320.6857 21613.2673 68301.7308 27538.4279 15470.8557 126087.8860 223296.9801 82370.3264 14051.0863 53082.5393 79812.7603 123657.9604 24117.0908 20954.7602 116189.2009 17898.1766 15060.9910 30037.6250 18211.9080 14141.5979 77736.8536 15946.0945 322994.3414 79376.5241 41692.9303 120667.8993 109780.8493 355485.9131 17467.3498 80253.4823 18429.5242 15551.1172 12352.9836 11676.9852 TAG(52:6) 13C1 [+Na] 31715.4396 TAG(52:6) 13C1 [+NH4] 73943.8593 52203.2189 20728.8694 14119.8521 41101.5457 16893.5138 76823.7856 127871.9419 56763.6181 34496.4611 46393.9333 79196.4387 67284.8193 16910.7823 44018.9441 183269.7670 48696.7112 27567.3420 72140.9948 65380.8179 206351.5191 48018.2437 TAG(52:7) 13C0 [+NH4] 82905.5927 TAG(52:7) 13C1 [+NH4] 49020.6741 TAG(53:0) 13C0 [+NH4] 41973.3278 29059.6942 20549.9506 42522.2641 42887.1991 TAG(53:0) 13C1 [+NH4] 28090.4427 TAG(53:1) 13C0 [+NH4] 41155.3683 19016.6090 17038.1392 53593.7101 30661.1210 14961.0361 37818.7948 38422.2386 65403.5037 18660.5521 12204.8672 133073.1065 51000.1730 35624.5205 47992.5194 58644.2855 28265.4128 33496.3217 TAG(53:1) 13C1 [+NH4] 27246.1651 44122.1842 83039.4242 31266.3046 36937.7047 17668.8358 19907.2061 TAG(53:2) 13C0 [+Na] 25819.9877 56993.0874 39210.0065 TAG(53:2) 13C0 [+NH4] 51213.7997 41594.2709 58440.6408 148838.6667 22329.7198 38694.1717 86224.8900 37378.5252 21419.6463 20469.7224 11258.8610 42933.7844 20329.5842 13857.8616 78415.7788 21426.3783 28341.7664 18898.3121 11002.5445 134469.1654 40814.7708 40506.7685 124914.7460 70186.3427 102458.4613 40794.4333 69045.7814 240174.5947 72925.3259 60636.9510 28098.0070 57344.6108 44780.6567 356546.4193 20925.1488 12642.2201 23273.2449 20983.5783 32474.7889 13246.6572 18015.2476 60483.9152 24815.2260 18625.3701 23297.6682 20541.1890 29638.6557 28100.0568 637641.2570 95189.5403 142484.3240 182571.7109 148986.8411 147376.0196 415500.4469 21767.8131 64392.8737 44061.5406 22525.8516 57804.7357 26096.0550 17988.1479 TAG(53:2) 13C1 [+NH4] 91949.4112 26534.2953 51539.3882 22755.4797 25633.8983 13878.2601 45733.3511 14715.1074 16976.5687 77375.5346 77803.3943 40717.6566 62969.3835 24364.5899 41795.2224 141941.1572 38275.6836 35536.9553 26778.6182 211946.9356 13540.3564 13670.7818 19013.0988 36231.8419 15503.9171 11978.5355 15562.4290 18352.3336 16443.6835 380900.2765 62325.9804 88899.9009 111808.7959 90455.8746 85944.8786 253542.2861 12996.9300 37854.7900 26732.5201 14176.0002 35570.9313 16415.8329 TAG(53:2) 13C2 [+NH4] 40412.7481 57172.7650 100166.1325 32443.6487 24854.4669 69089.4782 TAG(53:3) 13C0 [+Na] 18543.7274 27969.6600 68466.7145 50354.3839 16137.7889 TAG(53:3) 13C0 [+NH4] 67473.2833 65719.9476 67314.3111 194287.1118 22784.9097 42088.4421 55228.3723 102861.5949 41863.5920 23290.5467 19023.9459 13953.5390 47279.9653 14793.0041 12944.1318 97584.2745 21161.9736 18376.9873 41548.1868 25828.9382 149866.3510 51190.7542 43516.1951 220400.4206 58039.6009 159808.7887 42652.3104 72968.8539 211372.3497 68787.5304 62876.0000 40565.0890 51777.0859 51577.8230 408710.3773 18788.9618 17253.7028 17316.2435 34239.0143 18929.6543 28957.6294 14818.6980 22990.1913 55588.5725 29052.4052 23121.7797 20236.5804 14684.4491 21444.1372 64104.4317 29117.1212 796404.5478 118154.1068 164409.8473 162206.5417 202179.2445 202298.0990 571446.4600 30393.2187 95291.5690 30788.4807 22009.2383 34832.4141 33398.0883 15702.3507 18389.1106 TAG(53:3) 13C1 [+NH4] 42133.3637 44819.7006 116685.9505 33677.2264 62148.4911 24569.0635 14922.7977 30099.4061 58402.1247 25092.7631 15397.0789 90672.7491 131853.4222 36446.2228 91481.9851 24368.9533 48661.6721 125320.6579 40612.5281 25485.0561 34780.8000 29490.6520 247333.8877 21291.5235 18524.1521 15417.4013 31976.7078 18314.7017 13557.8505 12986.4914 35178.7703 19360.8065 485417.7152 66414.9622 94285.0072 105205.1217 118655.8343 121824.3101 344711.6394 17846.5000 56923.9114 19605.4144 13479.7789 20659.3039 20824.8893 TAG(53:3) 13C2 [+NH4] 17798.4641 28701.2281 56359.8676 108680.1030 29855.2365 32592.7297 83435.4455 TAG(53:4) 13C0 [+Na] 33689.4464 TAG(53:4) 13C0 [+NH4] 40480.5446 122729.9283 30942.4018 58144.3116 22896.6449 26195.6777 57131.7207 25386.1999 16304.9498 86169.9729 296539.6765 93840.6009 20932.9738 43476.6858 91011.4999 26951.9427 23980.3433 27279.4672 202229.6606 22732.3996 14288.2735 15514.1586 24226.1404 16172.6895 57344.2409 15436.6739 439414.5413 65884.2551 92164.6068 69525.0125 137905.7976 118482.8928 321759.5326 18105.6635 62171.5439 14132.8727 16871.7311 TAG(53:4) 13C1 [+NH4] 75537.1021 34990.0503 15763.5425 17589.6578 33398.7177 16895.7050 55029.5976 183649.1147 60530.9728 14198.4223 31397.2135 55787.8500 18912.7736 16853.6133 119035.9009 16272.2840 15915.4116 33321.3138 267548.4110 55824.9343 41710.3484 82709.4355 69805.4467 191238.8757 38472.1164 11337.6751 TAG(53:4) 13C2 [+NH4] 61390.8970 36903.2383 TAG(53:5) 13C0 [+NH4] 44053.6874 109389.0621 107543.6885 41905.8406 90816.9161 22190.1102 TAG(53:5) 13C1 [+NH4] 70487.1599 79472.0394 28978.9763 61858.2513 15354.8947 TAG(54:0) 13C0 [+Na] 500596.7351 TAG(54:0) 13C0 [+NH4] 51085.7297 23267.6301 13892.3256 23947.6249 155576.0959 53773.4015 39298.0081 23158.9420 18911.2388 69671.4406 44090.2962 50160.9802 12974.6366 19421.6022 17937.2340 31148.7463 14178.2392 70668.8507 44156.1619 32460.6183 35852.4937 2417738.4840 325679.8084 21042.7304 22898.6350 TAG(54:0) 13C1 [+NH4] 37766.8896 108164.3426 45111.9558 30196.4269 21150.8022 1591892.2060 207472.7805 14979.7826 TAG(54:1) 13C0 [+K] 16492.5124 TAG(54:1) 13C0 [+Na] 14986.0705 11624.5399 75282.0449 28914.2223 26962.4048 18120.1088 21084.1914 TAG(54:1) 13C0 [+NH4] 50653.2323 149660.9641 25853.7634 49257.3824 36693.9826 24708.0234 18989.4637 10633.7909 69238.6132 22094.0911 13898.9039 75466.6871 26747.2819 13004.5472 26323.6271 176984.9178 175077.2589 119572.8043 96978.7831 77508.2698 27407.9884 51936.0559 33258.4738 77128.6607 121763.4073 106006.3555 22179.5425 99140.6594 40842.5881 334307.1538 12701.2398 34624.7205 18526.4956 83022.6055 78141.0355 31808.5459 93570.8861 19159.4584 12708.5063 27810.9480 34632.7666 24192.7530 50995.2867 16748.5300 22174.9778 687019.7975 68551.5716 185264.5892 114173.4922 219398.9652 59972.1754 256392.2806 42750.7353 104903.0848 39323.8953 108996.3244 25008.7495 16210.8614 57066.6500 TAG(54:1) 13C1 [+Na] 13847.4124 TAG(54:1) 13C1 [+NH4] 92908.8169 32720.6055 23226.3750 17409.4660 43340.8697 15411.8013 9984.5441 48780.2003 17378.8816 113573.1532 105500.2972 75816.4591 59549.9889 32853.9963 23919.0510 48327.8786 78706.2508 70222.7982 60835.9574 26233.9958 222723.9145 22160.1253 53107.3678 49757.1319 20458.9731 60481.4630 13748.8286 18315.3108 23006.2599 16428.7359 32925.9210 14278.1954 433420.9697 121123.4738 75293.8838 138143.5229 38266.9825 165199.1278 27404.1874 64591.2638 25645.7852 66821.4441 15728.8948 35111.0554 TAG(54:1) 13C2 [+NH4] 13558.1710 24726.5732 65481.2282 15423.9155 16776.6033 126915.4567 40277.6983 45539.9208 18552.1078 TAG(54:2) 13C0 [+K] 67057.9236 74347.9125 38516.8443 24430.1584 182321.0916 14235.1733 53280.0954 22722.6845 28823.0597 90034.0618 16849.6873 22017.8912 TAG(54:2) 13C0 [+Na] 70669.3595 48273.7052 26575.2822 15049.4463 16008.1019 53780.7384 10610.9927 35978.6021 12713.9928 24132.2228 20580.9433 10207.8426 153721.5381 194168.4310 65709.3674 42344.4451 50440.8795 29444.5917 49535.7970 97459.0543 24183.5608 35534.0722 72198.6229 188877.1528 34808.4416 74585.8244 29954.5290 17534.3084 63585.2633 18272.4650 26275.5177 18348.7076 11295.3883 22373.3290 55946.7294 23691.1882 452779.0555 82109.3023 47344.1715 139112.5665 65856.4882 157339.6609 14441.1855 31039.2889 51923.6672 67314.5964 59389.0330 31217.3777 15036.2727 TAG(54:2) 13C0 [+NH4] 110711.6358 107001.3053 71807.7767 242983.9766 659375.5321 64216.5815 23681.1530 53585.5594 131783.6724 68092.6282 281972.8582 168788.5204 84872.9525 65812.8034 43627.4846 272682.4246 35552.9312 142045.0218 56036.4301 443110.2696 105208.3035 42239.3818 20969.2220 92126.2502 53878.9271 53496.3078 30960.8755 24125.0300 742200.8118 155469.7441 114611.2889 1313869.1290 486765.6508 481974.2884 412757.2876 62903.4114 213591.0101 132817.7614 295036.5365 656429.8744 318247.8792 156430.1354 75101.2002 308516.8365 425037.2419 1928886.4870 34528.5121 184857.4204 44727.9020 56892.7478 378356.4828 243739.4715 139843.8711 42773.0977 20852.7364 62659.1737 424053.7329 87207.4486 89006.9514 82728.1226 34744.6668 30687.0875 84701.5864 134055.7490 224939.1544 61319.0300 91822.9594 58465.1312 35574.4453 3714087.6430 287769.1593 793298.5435 403057.1845 990080.2336 526856.2450 29297.5902 1540789.2740 61442.2148 12255.5381 209002.6266 264160.2884 30636.4332 253544.0259 259199.0750 149674.2075 54091.3605 20746.8626 23306.4865 16562.2278 66858.5978 TAG(54:2) 13C1 [+K] 45218.3271 31788.9904 134692.2252 34613.6283 15567.5027 14422.3496 TAG(54:2) 13C1 [+Na] 44059.6220 28997.1327 16210.3893 33495.0956 22833.5758 15648.7728 14023.5656 91184.6173 81556.7632 40168.6022 29750.7715 30350.4601 56132.0795 42769.3340 109335.8433 21192.0280 46083.2211 20198.0908 38605.1528 16021.5605 35999.4077 263214.4593 50579.5948 30558.2121 83006.7490 37283.6589 86513.2104 18040.9253 29885.5245 44251.1197 35312.2283 18455.7677 TAG(54:2) 13C1 [+NH4] 68602.9035 48162.4288 157524.7899 411989.9530 40725.8670 36503.8970 83038.9144 41589.6829 176434.3157 103068.2935 53930.9366 40826.7406 26669.5962 169869.3095 21986.8678 90645.9910 34474.1554 277929.5821 67816.5066 25491.5999 13272.0718 60323.1500 34740.0050 32127.7431 18741.9910 16113.1946 477882.5391 97991.9707 72482.0372 838473.5745 305191.0195 306164.1920 256868.1561 36938.9778 130741.3420 83639.7071 184114.6820 415514.5644 203176.0384 94608.2601 47520.6039 188320.6577 270809.0668 1202263.9140 21692.4163 116153.1929 27976.4298 34032.3520 239800.7286 151013.2640 87671.8807 27222.6760 14357.2844 39821.8446 263135.8966 55154.5776 54920.2956 53377.9811 22419.5442 18641.0470 50508.6793 81775.1730 141270.1027 38551.5238 56089.9252 2333654.0150 177208.8016 502637.1217 242336.3088 622885.8440 335340.6531 18523.8212 956666.9832 38699.0290 131298.3898 164721.4292 18692.2875 161438.1573 161510.5662 95321.4292 33680.5815 14406.0173 40618.3573 TAG(54:2) 13C2 [+Na] 14121.3814 70730.1123 12216.1565 TAG(54:2) 13C2 [+NH4] 48421.3385 117859.4851 27274.1673 53631.2602 31753.4871 17910.0121 16791.6624 47385.2582 10402.7124 27255.3125 12056.2117 80070.2319 18643.8706 18814.6920 128858.8267 239158.5824 85296.0753 85457.3620 70353.1673 39269.4626 25065.0081 52334.4655 122128.2593 67709.6123 30459.9950 18064.0604 53171.5476 79212.4240 346404.5037 33953.3397 68702.0941 43112.7893 25303.1466 76316.8662 16754.5926 18727.0960 16231.1430 23792.3140 39936.3264 17021.3884 660838.3013 50652.3677 144440.2217 65770.1111 175591.8042 98472.6042 287151.0390 13799.9381 38550.1484 42568.5791 47872.5333 43949.0234 27825.7440 TAG(54:2) 13C3 [+NH4] 22448.7487 61333.1116 13782.1631 15183.8526 117247.8444 33407.9016 47608.3444 TAG(54:3) 13C0 [+K] 59515.5356 38819.6492 28894.8187 28188.1355 39135.5369 17025.7259 22754.4712 231419.0253 14309.1376 31653.7474 18497.0491 17879.7761 78012.5998 313755.1228 18800.4433 38975.4873 26074.0095 20855.8899 83973.2869 109312.5962 508107.1917 51633.2393 31509.7283 26109.9367 43492.4823 100389.1737 56215.4235 19642.6655 30377.2527 76782.4917 26694.4640 12266.3216 19018.2447 10948.6046 31255.3869 56282.0349 21337.9009 27661.0014 19452.2155 252057.0077 57549.7611 43397.0704 42143.4537 120617.0894 33273.0101 63397.5228 14801.4298 40486.1077 25189.5017 75203.8560 25884.2589 12359.1908 TAG(54:3) 13C0 [+Na] 98607.4689 65879.6746 73189.3378 216072.2279 37296.3249 43755.6630 72743.3561 35623.5328 161615.6453 70906.4001 37151.7363 33846.6526 29604.2159 136910.9275 30427.1026 105868.4201 27951.7742 95798.2389 67852.5585 24524.6235 20401.5784 88513.6381 47603.1954 19003.2559 364852.1672 112039.1862 107265.3666 782531.0436 156943.5786 106865.2102 124762.0885 25203.8512 136832.2833 87702.3120 134520.6912 258351.2697 75461.9246 49724.1610 79089.5699 379768.4253 543112.8320 19085.2896 87167.4322 30294.6575 18403.7615 215061.7252 54326.6873 41253.2194 28020.3523 17643.3472 40445.5994 173392.2581 68641.9528 91113.7578 34868.9030 63104.7752 26271.0247 53586.8925 101109.6592 144463.9558 30114.5700 47033.1720 47961.5758 1284592.7670 70382.9708 204896.6969 148577.1170 415447.6057 349603.6458 549922.1307 66099.8475 104523.8824 10465.1716 90387.9490 325915.2690 86968.5375 95433.6075 44586.6271 15266.4615 20488.7981 12906.7555 22013.5990 TAG(54:3) 13C0 [+NH4] 462578.3210 199865.5538 329845.7306 743152.8825 1884595.0570 203257.8825 44668.8669 239048.2314 40702.6642 487205.5267 192467.1096 789447.0266 406261.7834 202291.0456 142822.5270 134848.1195 641016.0607 117390.4730 384148.6273 120526.8958 1325502.9960 268197.7521 134053.4054 65445.6556 377057.8657 199762.2572 83498.1409 63493.3891 54160.6996 1623200.2820 479270.3386 414170.6377 5085603.7930 1091899.0600 1164532.2980 1459660.3650 174079.4465 487653.9713 386201.6684 706421.8963 1523749.5430 754316.8119 442605.0062 261271.9441 595444.4220 2113723.8400 5188174.5210 75358.2645 445994.0962 176365.3237 185628.7999 1036066.1690 428154.6813 308343.3657 114432.5620 73187.8702 206770.7282 1084699.8710 276635.7500 289596.4964 151994.1170 195526.8127 101126.3359 284926.4061 554433.1004 533966.0424 160408.2872 190580.4809 140911.7336 215584.9521 9752909.0410 826942.3830 1854061.6770 965260.2693 2633782.4100 2519119.1050 92696.2414 4772949.2770 27191.9776 272738.6347 41327.3087 589132.0607 31431.7526 414444.9795 64869.2337 1134123.2840 354642.9393 424236.6782 142354.6605 63831.2694 79784.1404 48767.9563 120611.5588 TAG(54:3) 13C1 [+K] 18421.8887 27032.0619 15461.1333 145892.0804 21644.1415 49098.0932 197675.0670 12701.4967 53510.8811 67002.3435 322561.2544 34758.2472 20021.1841 18578.2653 26943.4007 62053.7160 35484.1613 19657.0910 47153.9827 18372.5118 21019.8410 34851.9332 14326.9087 18862.9048 162265.2983 44152.3727 29601.4247 77698.8013 46904.8049 25192.0101 18064.4978 46194.9153 16973.3581 TAG(54:3) 13C1 [+Na] 61923.4652 42493.7563 48946.8935 130035.3827 23859.2348 45993.8209 23154.5099 95851.4282 45018.6252 24297.0819 21158.9598 19423.2225 82585.2472 19093.2130 64854.2913 16981.7807 60136.6842 41996.3918 15826.0491 13320.9860 54371.9157 28215.9224 12736.6236 225047.6405 65489.0760 67898.4095 477862.7421 98868.1157 63766.2735 74837.3810 82803.0636 52944.2211 79779.2137 162495.3402 44756.6528 30596.7239 46075.9650 238340.5076 333279.1247 53536.4928 17592.8564 137507.1806 33261.4664 24843.8745 17735.0224 24944.1143 108274.8524 41854.7565 58432.5530 21471.2041 38745.2470 16068.9772 31186.9682 60465.0400 88734.4021 18740.3236 31000.2157 31460.9011 790934.9917 128870.3263 95656.0584 250495.3084 212275.4386 329217.5585 40400.5272 64586.3368 55529.9008 199379.8274 53990.3992 57765.9883 26156.4566 13410.2535 TAG(54:3) 13C1 [+NH4] 283912.0090 130041.9232 200178.1723 460017.1198 1174257.8760 124603.5782 26720.3835 146422.3521 25531.1123 298141.1687 118080.8029 486310.5398 248043.1948 123779.8856 88847.0238 82008.3108 395343.3797 71321.5454 238043.0960 74282.5637 820567.8424 166818.8310 83274.9318 40287.6977 231285.9871 125952.2249 49408.5211 38875.8233 33754.2525 1004767.4440 293890.8790 262721.3219 3128958.7530 662087.5358 727278.4505 906029.8833 107286.2689 300569.2049 239259.3487 433767.3095 926164.2372 469140.7999 273492.8037 159542.7060 366659.5838 1280388.2380 3195953.7840 45110.2886 270770.6238 111501.0142 115676.6056 646094.7158 259896.7018 191154.0341 71527.4500 45328.9772 128734.1459 660081.6692 169850.9058 176020.1291 91622.0194 120075.0647 61760.3659 173957.7199 346389.8036 326532.8791 100409.0557 117138.0794 84730.3332 131991.2445 6017176.5310 511171.5538 1154237.4400 591842.6548 1622883.5060 1552173.5000 57012.1054 2913128.8680 18409.2307 168994.2193 24985.8642 364641.0607 19215.8406 256503.2732 39664.9400 692538.9022 217324.2381 262461.7361 88547.2345 37937.9306 49353.4411 29324.1987 75489.6878 TAG(54:3) 13C2 [+K] 39693.8122 58871.3518 23051.0581 17068.6747 13243.9772 TAG(54:3) 13C2 [+Na] 39012.2766 26481.4966 22898.7770 18267.0403 13587.0120 15442.7903 54029.0220 125035.8191 28004.7404 21234.0283 40000.0360 67846.4174 91126.3228 15498.7300 36548.7798 28567.9011 13226.3172 15396.6192 12517.5756 18374.1855 24796.0145 204682.9807 28964.1312 67796.9118 58862.8854 89091.2742 12178.0303 18522.9485 16026.7596 56456.5459 14692.5989 15379.1266 TAG(54:3) 13C2 [+NH4] 78180.4415 57529.5049 120483.8936 314855.6449 35139.7551 43012.9581 82584.8052 31872.9660 130920.0134 67063.3212 33289.3536 22096.8422 22934.0432 104087.3783 19612.7056 63830.0687 20330.7274 218173.9082 42435.5331 22853.0062 13020.9912 65248.5233 34959.5830 11507.0313 261970.2047 80921.3641 71297.5537 863312.5455 175235.4960 182629.5934 253750.0918 30125.8370 80179.5075 65600.3148 114870.5150 246362.7476 122473.9562 74784.1071 44050.8077 97442.5269 355172.2239 850841.8293 13271.5530 71640.6024 29562.6789 31038.1791 173357.4742 65650.4351 50308.5094 19119.2264 13037.4969 35819.7639 175405.4702 45308.8642 47691.8479 23881.4379 34980.3490 17626.6522 49187.1069 99515.6049 88855.9241 27057.8884 30407.6332 38125.0851 1609006.0680 129708.8352 310602.3415 154413.5536 429689.8766 437820.9666 17258.5980 800341.3858 46139.6198 101389.9342 62316.3377 188512.6993 51852.3232 72648.8389 25060.8517 14539.3871 19369.6177 TAG(54:3) 13C3 [+NH4] 51111.2431 22625.6929 17912.6592 12770.6578 36579.4583 12452.5120 44599.2039 143881.1915 29121.7953 13776.9678 34510.8680 60543.9547 133142.0966 13493.4426 26982.3593 26625.7334 9522.4541 18713.3210 15175.2520 234602.8239 48046.9366 28270.9296 61567.3790 74320.5676 123526.1878 17331.3563 32113.8564 11825.0879 TAG(54:4) 13C0 [+K] 42129.6899 27473.4094 33550.5283 47020.1562 13626.9837 21652.5514 16107.1313 311538.0368 14696.2632 19808.0315 42651.3382 17236.7420 20677.1923 87817.2236 644314.4908 20247.3016 25828.8701 52918.4996 25827.1104 20830.0714 91478.2326 112473.7081 590446.6838 41814.5137 50278.5588 34440.7528 71393.3911 101407.5446 54998.1094 23508.8719 42510.3766 75519.1582 36541.2659 16369.8234 12159.9237 28971.7840 122473.4425 24668.0709 29360.3515 19620.9443 303382.8461 63167.8600 42346.2818 67587.8708 135247.4642 44326.7201 91576.0465 17111.0617 18008.4222 43993.7577 19842.0102 99417.5847 44674.4672 18078.8637 TAG(54:4) 13C0 [+Na] 143904.1970 107709.6823 88983.6578 302763.9857 38101.8323 73997.7573 99588.6141 30283.9593 189037.9512 82988.5141 49882.0169 42134.9953 38671.8300 179028.9055 41921.7758 62796.6304 27108.0761 119433.9436 81830.7548 34580.7959 26820.5221 134149.8825 67739.5229 14188.1124 15005.8756 508536.0082 167801.0978 128882.7078 1587213.0320 134981.3115 93488.3537 170506.1627 27407.8016 150661.0727 152979.4399 175094.8488 264305.2892 88082.1739 70355.7752 86295.5505 368765.9304 612880.7010 20322.4490 59239.1987 45945.5580 23771.0557 348508.3443 52556.5097 38106.7532 37801.2996 27167.8166 56675.5381 159171.5313 91594.0048 76240.5620 33612.4152 81951.7779 34431.8563 54631.7085 218579.3094 164368.8975 34796.5618 48587.9289 65194.5376 1633047.4640 81385.7923 254616.9009 174594.2284 633642.5508 372474.7166 761415.2429 91607.8665 16075.6600 157535.6125 15399.4928 90437.2802 334365.0981 64913.8220 116299.2237 76159.1194 15860.5204 39114.8918 15569.6430 22168.1343 TAG(54:4) 13C0 [+NH4] 616085.9421 171818.7778 499991.6794 828812.7038 2504165.6000 190808.0066 45590.3243 390590.0909 49014.3837 587626.8562 143171.1003 846631.1834 428622.0473 231233.5110 159811.4020 160234.3581 775781.7184 149978.3031 206591.8748 107808.2791 1554211.0960 291833.6904 185209.3542 79708.7070 525414.3418 264010.0646 71486.1550 41422.0492 61018.3719 2067844.8090 667083.2679 468299.0877 9910572.6970 868418.2100 1013236.5620 1947190.4400 177255.5754 490959.6114 623205.2511 863089.9038 1331333.5510 800977.3769 468624.9023 324413.7091 615688.9712 1841923.9730 5437222.2220 67997.1361 272204.2225 259966.7907 248834.6576 1609430.0090 374318.6810 267969.3370 139097.9180 103030.0882 274522.7752 927154.7019 339466.5266 211196.8968 135780.8179 223381.8242 129003.8969 283106.1270 1180441.4590 568203.6240 167333.1507 176567.1030 128741.3959 284588.9819 11769475.6700 898681.4709 2117865.6170 932063.0015 3785685.0930 2537430.7710 118823.8588 6020567.1960 32410.3553 355947.6220 60930.8945 842481.9363 42584.1129 389197.8229 72421.7119 1053630.8820 235774.1723 498767.0851 234529.1070 71760.4680 140678.9082 51757.2146 114848.9692 TAG(54:4) 13C1 [+K] 21160.3274 29885.3373 15091.3762 199642.9199 28065.1266 13556.0024 59471.6344 411041.1506 12326.1936 35115.1552 58950.3758 70171.4184 371145.2238 30074.1631 23618.6078 46209.4829 61357.5945 34531.7565 25708.3258 48807.4090 23676.5613 19864.2691 77970.7493 15995.1287 20965.7727 188222.4555 44534.7415 41803.5190 85298.9253 58147.4756 26918.6487 62008.3203 27424.5111 13146.6664 TAG(54:4) 13C1 [+Na] 83996.4948 68330.4215 59909.1157 191949.4634 26321.4712 56344.9936 62177.2250 116028.3472 50463.4574 29087.7877 26491.7325 25334.1192 111721.0669 25900.3616 38320.4922 16730.3373 74943.5156 48923.1180 22989.8593 16641.0430 80911.3042 40836.9121 311231.8757 103486.1556 83346.3194 986505.6067 85843.4332 63684.4330 111644.6631 96139.9570 94783.3772 111301.0086 157931.9671 54299.4761 43439.2444 50850.4089 229282.1056 375658.6706 13779.5291 36021.5130 27641.8971 218412.9659 31897.0771 23621.9362 24226.5406 16454.2284 33996.5240 97218.4090 56609.9962 47478.8995 20913.1033 49502.9626 21731.6234 32286.9311 135315.1849 100871.9288 21106.3882 30223.0491 43940.6774 1038941.3600 52662.4430 160975.2977 106034.6555 391325.2296 228717.8347 463657.7849 56864.7730 97931.8681 57001.8381 209657.0001 39082.7644 72442.5596 47340.7181 24090.9764 TAG(54:4) 13C1 [+NH4] 379022.1348 107120.7994 300691.5757 501731.7040 1535296.7210 122785.4829 27342.6273 237555.7639 31695.8628 363573.1534 88863.4443 514515.4471 264284.7339 144304.3490 96604.4433 98301.9484 477442.2998 92167.2035 126941.3066 65772.8674 956546.8545 178766.8550 113527.1510 48105.3720 322322.2778 165385.2157 46476.5031 26188.0810 37848.8975 1258329.3040 402609.1343 287438.9416 6054063.9040 533344.7142 623825.8716 1201365.6850 109231.6734 303477.2267 379207.0921 530822.0907 816103.1113 494791.6707 289122.2743 202707.5289 383642.3150 1115126.2600 3335311.2710 40465.0797 168524.5907 159917.3571 151550.7139 995163.6374 230641.9215 164612.6013 86263.0235 65039.1054 168504.8126 566273.8720 207701.0170 129832.3615 85898.6894 138435.3606 79185.9025 171740.3766 721735.5368 349296.1365 103145.2756 106031.3252 81093.3597 171861.3988 7169583.6220 558650.6256 1318252.9630 572105.5863 2294524.5230 1541443.3410 74587.7606 3690451.4490 20152.2271 218175.6564 36547.6325 517043.9375 26472.5654 237789.2988 43964.1373 643842.4452 144194.6627 307987.7938 143791.3914 43216.5246 86241.3989 30626.8748 69008.4128 TAG(54:4) 13C2 [+K] 51027.4706 105344.5957 19164.3175 111254.1381 13995.4887 16772.3297 19884.1612 15475.8945 TAG(54:4) 13C2 [+Na] 47150.6177 27136.6133 27751.6006 22062.0674 13292.5889 19805.2612 74830.0201 253333.8044 21094.8569 25973.7555 28521.3986 34949.1755 51443.3974 87990.0184 53451.6665 22010.3770 15236.0793 11161.4197 12514.9273 35833.8211 23611.0926 239332.1996 40123.9339 27307.2137 96034.5639 50703.0598 117972.4846 14065.4198 22735.2876 48137.7682 16928.8592 13035.3260 TAG(54:4) 13C2 [+NH4] 88059.2960 76322.1557 116087.8690 364774.0519 28286.3400 56838.3418 83481.4817 22333.2352 119452.5000 60287.7546 35066.0826 23934.0400 22842.4405 112878.9719 23106.3855 21502.7241 15401.2871 229824.5278 41175.1451 26770.5013 12938.4319 79280.1421 39707.9959 302837.3049 94445.9653 64252.8503 1533939.8520 108754.8477 126220.9407 286456.1828 24756.8774 67393.2023 94547.2751 123481.6424 175408.6185 111768.7897 68131.9354 49868.6552 86472.0721 238597.0672 754687.3131 12203.2207 30613.0836 39705.0552 37379.5433 247603.6591 48072.6662 35106.6544 21282.2552 16117.8507 39338.1484 118539.3726 49389.2288 25367.1454 18464.2776 32011.5696 19773.1204 36868.2829 189797.7134 79359.4043 22871.2987 23890.1836 42576.6369 1678583.3780 121210.2612 303399.5702 126629.3030 556910.0897 344779.3967 19924.4691 881066.2392 52921.0676 126357.8923 52152.4308 135536.2838 28657.5378 70244.5746 35926.1181 22216.8433 16972.0887 TAG(54:4) 13C3 [+NH4] 11839.4260 42455.8797 209386.6148 32243.3535 27641.7051 67022.9544 108360.3246 18434.3526 TAG(54:5) 13C0 [+K] 34202.5625 31624.3149 45169.2594 20149.0903 13692.9285 234931.0352 17606.7394 37718.9834 17378.9411 16807.2787 87510.8878 1013420.8100 13493.3228 26011.7699 43086.0697 23408.1063 21851.1918 70411.6049 57830.8092 411032.8686 48031.1117 31158.6834 67575.8328 68380.8072 38388.6844 20602.4807 33479.0286 46429.9722 28989.6875 19138.0393 159087.9775 17094.8609 24753.1413 233469.1118 48957.2115 57853.3888 99193.5888 78019.8048 20118.4039 19298.3205 16012.1899 71518.4392 51233.0563 19520.4101 TAG(54:5) 13C0 [+Na] 114014.7430 88712.5144 67152.0908 251998.5886 26033.4772 62119.3895 69463.3652 165707.2794 71862.1408 41225.0158 41147.8600 28384.9344 129103.2234 37338.1435 45359.7223 17444.5691 87416.6940 55361.6197 29436.9878 22866.6306 110263.9058 55677.5671 454377.6690 142380.1621 88804.8052 2296313.8370 78499.8860 53805.8589 135858.4701 21182.0161 93583.9114 148874.6347 139433.3360 231846.8606 81966.9929 59041.0722 63456.2441 182416.2575 397061.8276 15903.4868 31172.5761 38935.5014 20763.2451 305846.8501 31871.5623 25094.9164 31779.6565 23481.3816 42477.2788 87604.7511 68877.4476 46807.6928 22476.3272 58317.1588 27634.6468 28512.5740 256605.2105 105420.5284 26128.0395 26798.2352 45323.8344 1198162.2260 56827.7980 179043.8214 126550.9280 551319.0283 252378.9995 619126.3132 73579.3171 15557.4695 171816.2446 12628.3999 65690.4382 134616.1855 43606.2824 77960.8503 79124.0498 14631.7148 40779.8632 12528.7381 18992.9813 TAG(54:5) 13C0 [+NH4] 464754.8249 102646.5531 397056.7736 586786.1474 1935732.1410 118279.0276 30147.1426 317677.6115 39528.1494 383749.8458 64315.9999 689252.7160 350423.7209 182929.7478 140030.2193 111124.4811 538723.1908 119048.1396 138025.2717 64533.0580 1080962.3630 187561.8746 145948.9359 62977.8745 412619.5296 210370.4510 63946.6060 22482.3579 45378.5852 1833256.1320 535260.0139 295322.1361 14167512.5500 486076.5532 549438.4994 1430925.9180 114580.6833 288743.5115 588949.1164 672694.0561 1069042.7610 574301.7078 407071.4368 257001.0322 421568.8815 844414.6208 3395437.6340 47833.7105 141399.6639 224438.3211 180765.9195 1353162.2880 227292.5814 172604.4150 107265.9487 89949.7044 204456.8150 489672.5783 244652.3974 122738.5524 83926.8161 155231.3816 95858.1983 145384.1711 1388471.6810 345734.8854 120343.2489 92824.8838 104341.2498 184023.2802 8134502.3830 561329.6757 1428729.6080 631301.5774 3119715.0970 1610289.5400 82643.8186 4572848.1130 29383.3836 259966.8730 55814.0868 830549.9399 36030.0136 264135.9629 54711.2059 398077.4029 143418.9775 320319.1955 241613.6806 58109.5802 139057.3147 37939.3433 93318.7516 TAG(54:5) 13C1 [+K] 19508.8476 29413.4663 148106.5693 24442.4272 58776.6321 617001.0614 30304.6516 45796.8907 38398.7863 265038.1025 29069.5304 21992.9089 42127.2191 39629.8522 24670.2654 23478.3953 30797.9940 19260.2660 98392.1151 142862.6575 36128.0077 63807.2205 48437.0906 11949.9925 45992.5591 30219.7656 13342.5701 TAG(54:5) 13C1 [+Na] 75258.1457 57136.2274 48518.4216 156901.6823 41534.8462 39512.0329 105171.7910 43755.3547 24197.4122 25450.4235 18058.3627 79958.1728 21711.2763 28537.6706 51718.2094 33949.0284 18190.8609 14055.9021 67957.7915 34822.6537 283453.6535 85667.5409 53898.9779 1427147.1690 48144.1962 83014.4172 57846.8464 92397.7902 89174.2532 139625.5884 50150.2630 35612.8739 37412.0688 112635.1871 249783.3399 20462.8971 23455.5256 193097.8289 20996.6548 15034.0333 18982.4733 15731.8031 27872.2804 53478.0374 42415.6524 30016.3423 14336.6157 35410.6802 17563.2040 18858.5662 162150.4046 64100.3034 15157.4511 19273.1050 736756.5230 109217.8576 79421.8395 338894.0920 153281.5928 375737.7818 45039.5890 102766.1168 41342.9935 82498.2194 26884.0885 46660.4061 49354.6405 23410.2741 TAG(54:5) 13C1 [+NH4] 285147.8032 239502.3439 365457.2283 1182526.7480 69138.7113 19896.7141 196612.8983 24483.3881 235158.1699 35956.7879 423887.4694 214722.1660 111788.8636 86105.9102 69388.1012 327346.5129 74585.8712 83999.8352 38983.2312 660419.2937 118478.7532 87807.0481 39290.2328 252730.9184 129547.7552 43292.5597 14239.8126 28289.7287 1117739.2590 326477.8222 181659.5570 8567798.8380 293764.8131 342118.8741 881089.4463 72672.4318 178885.0427 357945.5116 422052.8440 654300.9928 358466.4551 250187.5671 157545.5110 254359.9599 521166.8853 2073280.8450 28655.9557 88600.2959 137098.6723 111836.9915 830347.3785 140836.8089 111449.1947 67861.0293 56386.4439 122318.7862 298350.5513 147721.6514 75319.5029 50718.1596 96137.5386 57996.2369 87207.1442 843823.3912 211601.4697 74601.4239 56602.2397 62401.8988 110043.8966 4988735.0130 342862.5221 879080.4071 397265.6905 1904197.8260 988635.9240 51069.6587 2774384.4780 19352.4489 160620.6867 35054.8876 516585.3622 20384.6877 161708.6139 34226.3272 241914.6201 89214.0857 198951.7687 149797.4693 36509.0561 86105.3770 22579.7291 57822.3075 TAG(54:5) 13C2 [+K] 29190.6237 141067.4339 23140.7200 10548.0974 TAG(54:5) 13C2 [+Na] 39145.2990 23770.8929 17668.1613 14470.5143 62737.0433 345517.0322 12445.5501 24540.1129 31647.8503 20840.5141 51364.9571 41021.9283 37717.2403 13675.4225 155523.0535 70664.5623 33819.6534 81176.1344 11813.5291 23760.0120 13479.2855 11424.0313 12453.8540 TAG(54:5) 13C2 [+NH4] 60728.0141 50671.3717 72676.1537 239081.5273 41936.2230 44539.1240 86896.8985 44579.1896 21806.1496 19774.0677 13877.5688 61949.9087 14906.5783 16882.2065 127893.8522 21364.8753 19712.9120 50322.2635 26230.8561 236024.0177 68643.0789 40945.3005 2051500.9460 48820.6162 56469.5398 172632.0159 30156.5462 78653.4447 83091.9881 134428.6163 80780.1566 52697.9816 31931.4319 49692.8119 77443.8851 394133.7226 15782.8975 28922.2293 23249.8083 174331.8001 23678.0753 20281.2007 14497.5336 13839.4552 24576.8731 47698.4956 27449.5333 13852.7344 13138.4919 18172.4599 13260.6661 18255.9006 194273.0691 37951.8573 16478.7359 12607.8163 957609.8846 64183.3170 160535.4153 72321.8794 386081.1003 187053.9203 558185.3921 32505.0867 114548.6252 29975.9194 17861.9925 34933.8570 32953.4684 18727.5485 15763.6977 TAG(54:5) 13C3 [+Na] 55312.0805 TAG(54:6) 13C0 [+K] 21904.8728 28020.0527 112240.6075 22408.2801 62848.6326 1272320.0220 33235.2167 24001.2959 185920.7211 27024.6470 29896.2371 39141.8454 19448.5760 19091.2838 19913.4765 121924.3239 105847.0986 32402.9047 48223.0824 49958.1583 30908.0972 29250.4344 14680.1193 TAG(54:6) 13C0 [+Na] 61703.6908 52154.1592 127403.1291 35813.1931 29678.1071 104885.6726 44192.3473 22723.2219 26561.5707 13540.1613 56591.1306 17579.4132 17872.2546 39939.4490 22631.2539 15633.8565 16138.6146 55920.8482 29573.2838 300573.2946 77223.7844 38268.1188 2762807.8780 32143.4102 65422.4339 37012.1060 80560.0065 74200.8409 121011.4066 47601.0404 32305.8572 57965.2583 162182.3957 20829.9411 130672.9858 19209.2236 13065.3987 16317.2084 14296.1941 20293.9601 34047.5973 30359.7678 19706.3118 27115.1917 14969.4072 184420.1227 43970.1867 532095.6582 78724.1509 57488.3100 280483.7938 116874.0072 349921.5252 36045.5477 107900.0396 31307.5337 27303.1243 20664.8065 30956.9918 42193.4871 25558.0763 TAG(54:6) 13C0 [+NH4] 227937.9903 216931.3035 271416.1729 929085.3237 48074.3406 156965.5511 21803.3039 153250.6101 20050.8163 414821.0089 199827.0992 89926.8780 83395.2182 49623.9701 226258.2832 56942.3279 53663.1363 25818.2241 469542.3993 77608.0327 74617.9448 42322.3258 202797.0618 109260.1942 36397.7876 10758.2620 22869.3095 1159734.8430 289399.7509 118829.8432 16943024.7900 176449.3423 210907.1768 651021.7558 49169.2291 112659.6717 302458.3433 335450.6293 512974.6794 393757.2672 209518.4347 130819.2702 172425.8202 257005.2962 1326492.2370 19805.0543 48293.2997 118509.7444 95682.1012 556171.9915 124817.9686 76755.3313 55766.6721 46550.6778 88227.4773 172676.1421 102029.3554 48403.8900 37736.2027 69691.1045 43780.6099 46302.7658 944044.3426 139293.7736 56377.3474 32235.5114 52952.7655 71802.6519 3427831.5230 214054.5325 613115.4369 279929.2321 1541988.5960 712606.8093 31236.4625 2439558.9640 20080.1931 125826.1578 31136.8966 511763.6301 20613.8042 123230.8888 26359.2807 79700.6943 63900.5089 122481.1369 134378.7666 29983.1957 89570.6780 21065.4697 53618.1104 TAG(54:6) 13C1 [+K] 20432.8105 67995.9319 40251.7613 778755.4359 137461.0975 17923.2235 19387.8037 24797.1756 12735.0694 74956.4827 76476.9255 32709.3878 19159.8221 17996.2877 TAG(54:6) 13C1 [+Na] 35253.5997 80589.7635 64393.1925 25096.6216 16380.5643 35977.5151 13215.2642 25572.5717 15028.0985 36604.9432 19230.9612 190023.3359 47149.5506 1686007.7270 22844.7302 49179.0277 44412.4926 72379.3029 27121.7455 22135.8647 35745.3519 102709.7037 14028.2484 80515.2126 20909.5624 18581.8874 13047.8951 17243.0922 116797.6395 27650.0635 326345.4597 55025.0329 34255.0599 174007.3782 72724.3527 219437.8688 21805.5758 66809.6849 20326.7655 17854.9418 14823.1747 18103.9688 26715.8052 16364.5761 TAG(54:6) 13C1 [+NH4] 135288.4205 127548.3643 168441.0505 561757.8498 31176.7403 96900.6291 94226.8780 256674.4813 122941.8614 55735.5576 50265.9629 31016.0885 137066.0404 33693.3239 32938.8675 15441.6973 292663.8337 49739.7734 43812.5943 24012.5251 127631.1444 65031.4392 24907.2284 14231.2194 717198.5639 178859.6095 70555.7175 10135218.4800 107179.2405 122024.4044 398715.2677 28768.8196 66401.2788 186524.7978 203213.7335 309772.6769 240010.0646 132988.4293 79578.7275 104271.6728 156572.0696 812039.5986 14236.0218 29669.8888 72865.0451 57599.8164 347808.8495 76466.1456 47940.1712 34274.3598 28531.2784 53337.3918 105610.6925 64115.4171 29411.1480 22953.6872 43572.2090 27172.5183 29862.3314 572273.6948 84536.6521 34630.7866 19558.9644 43860.9364 2068460.2780 131817.8486 379656.5231 165676.6961 935271.5572 447355.1406 20195.3062 1487626.1800 15087.1566 76827.6667 19100.5838 314348.6817 12688.6297 77118.2182 16494.3110 48693.6157 41397.6554 74465.7489 83409.6628 19679.0690 57751.7837 13544.4610 32021.1274 TAG(54:6) 13C2 [+K] 175944.3518 17010.3718 TAG(54:6) 13C2 [+Na] 16935.0603 44462.7617 392862.2663 15369.8632 22585.2129 58655.5786 30756.5987 40064.2976 16219.2721 TAG(54:6) 13C2 [+NH4] 79922.9997 47402.8767 21691.1325 22681.1977 42937.5414 20927.4999 127065.4782 41157.3709 2359763.8410 65432.2006 29151.8983 35399.5376 48323.6316 23027.1494 19423.6658 114216.0415 14572.9793 49964.4602 16676.7174 12421.8543 107552.1376 284029.2909 59271.7473 29786.1124 137293.5584 66891.2875 250290.8374 13671.7180 57924.9167 15268.1228 14684.1567 11090.3303 TAG(54:6) 13C3 [+Na] 61753.3748 TAG(54:7) 13C0 [+K] 30085.2133 437393.9605 38713.4140 TAG(54:7) 13C0 [+Na] 37445.6578 15977.5472 16608.6301 142128.6559 906212.6490 25679.2258 26419.1135 16447.8256 57574.3727 12239.6066 117001.7102 80277.0406 32335.9000 111715.6267 29486.4610 TAG(54:7) 13C0 [+NH4] 60261.4526 64964.6899 62886.6273 230860.9823 40813.9227 35334.7000 140276.1735 59389.9508 21664.3206 22840.8448 14241.5815 54706.9563 12148.8864 110285.0048 18426.9958 19893.5496 16891.5010 57010.3463 25000.9019 531219.0364 64466.3371 5373828.3690 34053.8602 46757.1061 139001.9337 24091.5525 71880.0981 113469.7761 111821.2091 170671.1007 28261.6446 32935.0012 34174.4926 48196.0381 216923.2688 30290.0098 21919.2315 67292.6458 45612.2531 15732.9407 14957.1742 23114.3242 28969.3439 19878.0519 10640.7782 20647.8234 11949.7695 293733.6320 32354.5204 739828.4340 142077.7740 59218.5000 425225.9606 176660.3182 745960.4204 30767.1549 130070.8728 30602.1510 12329.2379 16533.0499 21815.9015 25952.7142 26970.8768 TAG(54:7) 13C1 [+K] 261720.6549 24304.2173 TAG(54:7) 13C1 [+Na] 23308.4062 12322.1563 90292.3380 559588.6600 35930.9839 71962.0759 48034.6737 69613.5229 19365.1886 TAG(54:7) 13C1 [+NH4] 42132.3461 142239.6509 84428.6814 34850.4281 33080.3841 66963.3962 13722.7980 35366.8137 16910.9234 334267.0488 46044.3709 3241243.9950 83721.0314 15338.3439 41464.3478 67211.4192 68184.9409 101716.8258 21395.3169 30633.0622 137317.8034 17959.8746 41782.2002 28431.5281 19839.7830 13702.1250 12813.6380 177681.4460 20180.1902 460321.3881 87232.3449 40617.0138 264648.2424 108847.0563 460542.3439 18339.8217 80786.9757 20368.6746 13208.9121 15841.8981 17085.3521 TAG(54:7) 13C2 [+NH4] 54468.3516 TAG(54:8) 13C0 [+K] 67069.2722 TAG(54:8) 13C0 [+Na] 48473.8740 132600.1368 TAG(54:8) 13C0 [+NH4] 24739.1703 166572.3655 806157.8182 31195.7900 38953.3236 95054.3127 62495.3954 27934.4687 132057.5139 18910.7015 TAG(54:8) 13C1 [+Na] 90848.5680 TAG(54:8) 13C1 [+NH4] 103713.4229 487748.9331 22413.1936 56638.6242 37337.6482 78045.0932 TAG(54:9) 13C0 [+NH4] 68850.3894 60491.4934 TAG(54:9) 13C1 [+NH4] 45924.0481 TAG(55:0) 13C0 [+NH4] 42986.2240 34918.3112 24225.1800 36243.9539 TAG(55:0) 13C1 [+NH4] 22989.6552 TAG(55:2) 13C0 [+NH4] 59170.5503 33171.5763 71378.5860 122838.4572 36337.2036 39230.3024 30195.5746 62968.4677 TAG(55:2) 13C1 [+NH4] 22666.8018 45068.3369 75015.4074 27412.5343 39989.4551 TAG(55:3) 13C0 [+NH4] 36948.5139 18034.4047 14242.6297 43696.9631 122954.8788 13862.3268 37860.0959 24729.5323 101488.6621 13519.3873 229627.6233 60978.0129 74158.8851 46443.9916 104808.1149 16126.0259 12806.9003 TAG(55:3) 13C1 [+NH4] 77293.9859 24732.1777 69254.2375 141983.3874 39107.6600 45026.0566 28724.9636 65524.7669 TAG(55:4) 13C0 [+NH4] 38327.7121 18741.7009 205062.8821 12073.1570 32535.6416 21473.7477 89586.0489 14655.4180 231075.9837 48425.0465 84323.5831 37798.4901 99096.2674 TAG(55:4) 13C1 [+NH4] 136426.5739 58871.0638 140397.2905 30945.2537 53306.5943 29294.8148 65050.6673 TAG(55:5) 13C0 [+NH4] 279173.7676 31525.3519 59503.0462 153913.5494 37032.0857 58949.8766 31635.0442 84618.7986 17078.3370 TAG(55:5) 13C1 [+NH4] 166980.3186 45290.8688 99222.9310 43504.6002 53568.8264 TAG(55:6) 13C0 [+NH4] 284206.4710 63554.8612 TAG(55:6) 13C1 [+NH4] 176673.8591 42353.8109 TAG(56:0) 13C0 [+NH4] 45356.0128 36312.0152 25308.0548 83422.0123 62974.4093 TAG(56:0) 13C1 [+NH4] 34622.4072 25996.1651 TAG(56:10) 13C0 [+NH4] 31649.9579 TAG(56:1) 13C0 [+Na] 12297.3022 TAG(56:1) 13C0 [+NH4] 49030.1197 21405.4224 67601.7097 31739.8679 27424.8180 32194.5564 79056.3356 15257.5950 19157.2948 20060.7685 88456.5323 31615.6249 51875.1799 61703.5581 17804.0944 47604.2893 18615.1464 30680.1655 TAG(56:1) 13C1 [+NH4] 51981.8804 59126.9779 33582.9325 41291.3379 30477.2454 12900.7208 TAG(56:2) 13C0 [+Na] 25617.0117 TAG(56:2) 13C0 [+NH4] 80366.4519 31386.4227 47007.6761 22842.8994 26086.7435 16145.2832 51826.7785 53620.1025 242274.1032 40174.9459 26507.1631 45923.2417 132525.5934 71252.1225 37974.8998 44212.6603 48250.2025 285827.7054 15196.6979 40679.5663 25026.7816 41334.9564 15894.2956 20205.5539 20141.0082 18401.9337 231293.8729 56624.1551 153895.0138 139112.7912 108709.5162 259197.6887 31013.0634 23724.8545 107085.4307 36938.3455 14869.4020 TAG(56:2) 13C1 [+Na] 16582.7698 TAG(56:2) 13C1 [+NH4] 51688.4760 28995.4548 16359.2150 18018.6341 33028.4168 148995.1361 16031.7476 83307.3053 24759.7236 29376.5409 185703.8898 26146.2185 17159.7653 26540.3204 13482.3681 147327.7840 105679.3225 88886.1492 67736.7656 163775.7625 20558.7726 16234.1821 67075.1367 22887.6512 TAG(56:2) 13C2 [+NH4] 54833.8714 27828.8335 53353.8358 52261.8123 33454.0437 27974.4287 47828.8764 18393.0075 TAG(56:3) 13C0 [+Na] 16126.9566 37112.6272 TAG(56:3) 13C0 [+NH4] 104909.2088 44691.0002 60660.6839 26032.8750 16503.8147 34099.5185 15241.3373 71152.7053 12737.8641 17493.6970 19100.8910 71475.6317 289908.1959 37181.5930 33750.8041 22759.0362 53927.1591 122437.6358 72262.3324 46003.5582 28779.9893 43574.7686 68591.3395 379484.1741 16631.0943 13509.4394 69089.8835 22262.1702 13906.4919 11103.7221 15104.6405 45167.5149 20618.6300 12320.0520 12176.0609 21537.3605 33066.0205 30303.2970 317980.3940 81424.5495 148936.0491 201965.5892 179769.0064 363819.6386 13864.7204 49155.9822 22880.2250 125656.9508 25182.3953 23379.5697 TAG(56:3) 13C1 [+Na] 21341.9349 TAG(56:3) 13C1 [+NH4] 65513.7985 31958.0319 38995.7875 17167.6152 22516.9008 45428.3907 12439.6683 47809.9638 178220.4397 21191.5884 32647.4387 76647.9150 55622.4246 28242.0901 28735.6765 43105.1376 242048.2537 43097.9115 16320.3715 27797.9607 14783.5268 21361.6297 18622.2581 204637.7015 53944.9032 91672.5781 127486.8240 109385.1918 237523.5726 29824.6282 15563.4473 81098.3304 16911.9390 14877.2927 TAG(56:3) 13C2 [+NH4] 56677.2863 23561.7392 61756.0343 12607.0792 57217.0468 36082.3700 31280.9213 60309.7961 19577.2589 TAG(56:4) 13C0 [+Na] 54390.7213 13550.6617 28977.7070 19853.5714 TAG(56:4) 13C0 [+NH4] 109649.0129 41268.0849 52566.7829 24365.1842 10561.4659 31949.4705 15345.7799 72189.5127 14920.1003 21866.3180 16869.9728 74676.3230 396603.4711 35992.5900 65748.8250 28320.4499 25794.0700 48970.8266 108132.8616 73928.3513 29091.2935 23575.2942 37179.4935 46557.3069 338141.4528 14259.1103 13903.1986 17588.6743 66232.9158 19397.4407 16074.5116 34535.2835 17816.0065 10597.1337 12054.5143 17697.1845 44325.6665 32641.9189 374096.3646 99209.7042 91239.9998 176316.7125 126946.6927 328042.1428 15919.5550 48417.4822 20003.3154 63988.5352 18908.8934 26427.6730 TAG(56:4) 13C1 [+Na] 13513.2931 TAG(56:4) 13C1 [+NH4] 74209.1297 26369.4011 33536.2463 16312.1465 20404.3573 46982.0941 14919.9333 49467.0749 245190.6273 20180.0954 32815.1399 70214.5132 20341.6120 29354.7346 222546.3196 42072.1718 21924.7230 12058.3855 29005.6873 21082.8843 240389.8925 67957.7307 47240.0234 112013.3609 82133.6008 207453.2838 31850.7402 15116.2761 40729.0250 13241.9736 17132.4621 TAG(56:4) 13C2 [+NH4] 63577.8224 53104.1953 64902.2375 28498.8073 46450.5399 TAG(56:5) 13C0 [+K] 28890.1959 113050.7972 15131.9975 12796.4551 TAG(56:5) 13C0 [+Na] 30379.6390 17490.2342 18224.2045 16794.3655 13549.8413 68019.7439 28203.1738 89032.6263 14098.8760 14365.1807 9750.1184 13393.9263 110128.4342 38512.9010 75879.5982 13736.2239 22846.1555 12058.2177 12489.8464 TAG(56:5) 13C0 [+NH4] 80281.0119 38896.0429 62649.4272 218593.7010 32280.4509 41174.5556 73179.7039 126547.3330 77158.5049 24181.6338 22163.2489 22459.4230 36189.4374 24603.3107 56017.0296 12241.9334 132867.2620 30280.5299 23589.6728 12415.3148 62714.7089 45262.2316 22272.0172 116255.9387 53274.6219 41100.4681 292968.6124 73471.8574 74013.1478 226371.0509 18860.7083 41602.5428 29649.3203 72818.5528 316075.6564 129040.4788 135221.3451 39866.6404 47299.8691 61673.0411 776808.3531 38806.1275 33709.0605 34839.2035 58788.7220 28778.2959 51143.4209 17904.1786 13881.8167 15060.6133 59579.5465 42692.4756 22360.6010 15333.5516 15734.8859 14463.0467 39178.2243 77259.7876 45433.9881 23760.8166 782201.7876 68233.7093 186015.5743 118291.7589 150472.2645 240481.0421 577735.3397 45915.4112 117337.6081 31534.1719 34110.5841 31910.4177 51525.9773 17128.7379 12491.4253 19756.7842 TAG(56:5) 13C1 [+Na] 20536.7109 12633.9343 43794.7576 18870.4844 57733.0023 74017.1569 46708.7727 TAG(56:5) 13C1 [+NH4] 51467.8046 45538.4374 147582.0853 22521.7187 47328.9507 82017.2907 53924.7359 18411.7313 21331.9543 15391.1944 24354.2641 19648.7050 35831.3653 83772.2700 20009.9868 17033.5878 40286.9558 27910.5246 75007.3899 182773.1160 46177.2889 49634.9583 148946.3434 26414.2216 46519.0720 209477.8604 83036.0075 90249.7364 27672.6666 32366.3668 43312.0469 498899.3785 25601.7362 21015.8052 23052.6944 39808.1771 19048.9947 32977.8527 13246.5328 40714.4085 27639.5772 16450.3428 12807.1439 25295.5711 51628.6439 30835.1669 16967.7698 513887.9372 47952.6424 122502.3733 77588.3350 95193.4804 160594.6452 379195.7707 31151.4354 77959.6278 19808.7916 21763.5821 21770.3659 33090.0088 TAG(56:5) 13C2 [+NH4] 40551.3530 22793.3691 15998.8921 24659.6967 12698.3089 57403.1775 26529.6270 136949.6147 135203.2486 40065.4011 25810.0757 42532.4128 99348.3914 20956.2250 10862.1726 TAG(56:6) 13C0 [+K] 20084.6982 41071.5009 14468.9568 155847.5846 13903.2242 17994.8267 21961.0749 33396.9166 18250.9386 TAG(56:6) 13C0 [+Na] 54479.9270 56562.0937 26616.8332 11954.1960 21428.6478 15065.3429 31997.5705 19255.8509 45377.8147 21185.9459 99237.8587 47975.1246 29458.1463 120296.1540 15773.9610 15759.5801 17541.9119 19875.7868 13054.5183 30108.6767 21332.9095 191708.6122 37098.1071 34841.1171 67439.5662 149807.9981 23176.2815 44343.1090 17720.4259 15351.6699 17905.9804 TAG(56:6) 13C0 [+NH4] 139772.0181 85103.4156 120729.6519 406148.6710 39856.8996 73338.0503 104804.9639 220988.2509 125297.8672 39960.2924 38219.1981 34444.5364 40741.8276 35999.9775 63442.8060 16473.1826 181778.0010 47775.3734 35080.0702 20097.5220 113605.2918 68388.7155 11117.8461 159045.1042 82680.0736 52335.8129 164798.8218 102870.4952 112611.1957 392050.0799 26697.5845 61715.9126 41395.2401 105898.7134 427613.7577 213287.4274 222772.0653 65242.4462 56926.1544 118765.6641 979577.3086 13450.4056 61356.9378 52443.0439 45420.9627 65617.7572 51772.9416 74607.0537 30260.4901 22218.9556 20272.5492 87755.3696 62745.7078 31463.5980 20468.7918 22638.3747 21478.9630 53261.4823 154111.0388 65958.7391 37084.7395 16790.8461 31363.5240 1231265.2900 104370.9879 264741.2954 176293.2690 173030.9614 419842.0632 17334.6938 1045480.9210 78963.5109 213571.6900 13570.2840 49445.2339 45763.9898 42910.4058 72531.2823 15163.6112 26361.7378 23372.3125 13066.0856 31201.8341 TAG(56:6) 13C1 [+K] 26252.6060 12814.4633 12009.6764 TAG(56:6) 13C1 [+Na] 41925.0139 37575.8271 18505.1679 15924.1953 21183.6034 15132.3004 13988.3394 60984.2676 31260.7254 19138.4338 74772.1534 13828.5678 20737.1461 14732.7972 122057.0462 43522.6829 94541.7798 16636.9540 28651.9804 12263.6305 TAG(56:6) 13C1 [+NH4] 85388.1934 54219.0052 75723.7394 265028.8667 28990.8790 44146.4093 65302.9041 145275.5832 80460.7088 25609.3257 24431.2927 21370.1447 26238.6804 23774.9840 40502.5062 11440.6630 119338.3089 30347.4519 21618.8646 13294.8108 71390.3876 42382.3655 103782.9275 52778.3617 106141.6454 65731.3098 71108.0806 245207.5640 41608.8058 24443.0083 66347.5266 270357.1859 132940.8425 140855.0407 42552.1963 38512.3190 77075.1790 624617.8270 38544.3761 35027.6721 29236.1179 40507.8146 33773.0053 46032.9986 20014.4738 14876.2447 57029.9619 42835.1871 19082.5589 14423.8478 14277.4644 14745.7235 33525.2337 100363.1452 41858.8469 23548.3233 12918.5271 786382.5300 66404.0275 168472.4844 108272.1429 111072.0456 264031.2143 671093.9422 49004.0272 139350.9887 32097.9768 30819.2355 28980.3114 46181.6094 16792.7257 14737.1140 22378.5583 TAG(56:6) 13C2 [+Na] 31681.7879 TAG(56:6) 13C2 [+NH4] 63608.9250 21233.5324 38184.5658 20959.0430 13113.7545 29437.2006 20024.7983 64626.8262 11960.3241 69069.0804 39232.8372 22264.8620 155684.7352 12693.9517 14624.0218 16898.1380 13108.6259 27565.8454 13301.1268 203802.3357 45541.0961 28905.6386 31105.7679 70014.9384 178925.3804 14811.2014 37429.0482 13314.4939 TAG(56:6) 13C3 [+NH4] 32069.0817 TAG(56:7) 13C0 [+K] 21633.5827 16155.5825 119402.9545 23245.8834 15220.9560 26373.4637 15770.0103 TAG(56:7) 13C0 [+Na] 55889.6018 58562.9629 27530.7160 20661.2003 12050.3764 33173.4201 16775.2164 43656.6152 18865.3579 71785.0936 38317.2361 24428.4638 93052.2026 14605.4315 16199.6415 15246.2661 10527.1238 38016.6476 24583.8075 163437.3575 26781.2111 32538.7957 55453.5329 191734.1766 20749.5536 41151.7251 15838.6613 13355.1039 13737.2634 TAG(56:7) 13C0 [+NH4] 94940.9220 113659.4198 106054.5626 386462.4501 30006.7945 57330.3783 79179.6545 223863.1541 124937.2704 34775.1164 36489.1758 31120.2611 36326.9076 26909.8983 33672.6671 13859.0814 37528.7475 30286.1061 29910.6199 111357.8365 56023.8027 141035.4079 112487.8378 34541.8760 74184.3750 70707.1060 84103.8276 308275.5304 51543.0568 36649.7295 89363.6502 296368.4009 249543.3959 171594.2808 57856.0312 47029.2951 97946.5670 707650.3032 38491.9307 43959.1777 36644.4519 58877.6433 68885.0201 51202.5192 25954.5295 21914.9872 24715.1936 73575.1414 47893.3415 21962.5722 17185.6332 17736.6201 16467.9206 34033.8755 175234.2215 73149.5659 31003.2303 14320.0444 32432.4408 1040165.5890 71244.6720 215403.1149 131271.9583 164373.3816 336632.0410 1252887.7720 66995.7041 190767.3557 16283.6463 44819.8106 39969.2501 32865.4622 56229.4389 14788.6663 22334.2514 23911.9687 14556.2262 26865.5997 TAG(56:7) 13C1 [+K] 18429.5752 11069.1719 TAG(56:7) 13C1 [+Na] 40114.4783 37587.2706 18690.0297 20694.7287 12842.3576 45261.0104 24830.3980 17199.0231 54376.0790 22973.9274 16615.9088 104084.2846 36566.7161 121173.1353 13721.2930 27010.6823 TAG(56:7) 13C1 [+NH4] 65999.5876 71131.9729 66346.8195 254318.1882 38198.5843 49846.7076 141895.7156 78898.9172 23495.1043 22924.8408 19511.3912 21726.8300 18262.7153 21164.6317 23307.7467 19374.3086 19303.9943 70981.4614 35866.6142 89960.2548 70004.5333 43676.1107 53006.5293 192019.1517 32315.8963 25871.0054 57296.2568 193904.2298 163431.6631 107904.8414 35312.6292 32490.1107 61013.8325 458178.8431 24761.8817 28723.6736 22863.4874 36667.5431 44938.8203 32134.1468 17303.4015 13946.4997 16759.1673 45237.5241 30197.7208 14131.3463 11890.8767 22932.2489 112030.8881 46314.7499 19145.5356 651438.7698 51717.1991 135178.9944 83961.7258 102932.8258 213349.4666 802157.8377 42557.3358 123849.2327 27873.3035 24483.4871 21132.7208 34328.6674 14058.4206 15220.2345 19501.8112 TAG(56:7) 13C2 [+Na] 34116.5703 TAG(56:7) 13C2 [+NH4] 59027.5219 32260.1085 19244.0065 17405.5015 53006.2683 40129.0061 24720.2362 93243.5629 27410.5497 13154.9637 134395.0906 40880.8660 26819.1139 47119.7121 197293.0970 27194.9227 9547.0516 TAG(56:7) 13C3 [+NH4] 28655.0587 TAG(56:8) 13C0 [+K] 19294.4621 TAG(56:8) 13C0 [+Na] 32103.7690 15987.6171 16178.5805 30580.8192 19591.8340 44450.3986 22740.0783 13544.5977 72740.0762 115001.2066 21303.7727 TAG(56:8) 13C0 [+NH4] 66567.5883 48296.7777 195577.9944 30022.3031 120166.9212 68814.0306 18368.1859 19929.2595 16328.1970 17610.6634 12644.4421 14171.7011 60566.2710 16168.8008 22411.5148 56205.2539 25039.4525 69647.2231 86178.0108 30781.2939 124345.9157 20884.7367 22241.9598 45032.8787 131148.6591 150526.2643 88667.6667 27947.7252 41265.7387 303678.8666 12612.1723 19753.0973 19092.0001 28951.5028 42462.4270 20661.6458 13014.3087 15724.2853 28938.0497 19443.2468 115240.0598 38763.7587 15656.9298 434619.1425 96439.0176 54206.6577 89764.3574 139060.1165 770827.2386 29075.2100 93357.1085 11579.7232 21302.6060 14486.6305 13046.3770 21418.5423 14628.4785 TAG(56:8) 13C1 [+Na] 21066.2141 21899.3754 75593.5642 15526.5523 TAG(56:8) 13C1 [+NH4] 45620.7282 127155.8262 75926.5498 40662.5444 11359.6550 37523.0659 14572.8423 35097.7714 15974.7776 50499.8039 56183.2421 74247.6665 14266.1851 29205.8763 82440.3594 94786.3401 53892.1649 25487.3968 198677.1000 18009.1557 27032.4733 13999.9628 19339.1411 12719.9587 71595.4904 23898.6209 272391.3796 61973.4607 37175.7104 57371.2621 92363.8135 492939.9950 18228.9015 59510.7743 13336.4460 10579.8080 TAG(56:8) 13C2 [+NH4] 34604.7683 17929.0511 19909.2379 39930.7359 18092.3424 57516.4813 89810.1512 TAG(56:9) 13C0 [+Na] 30263.7073 TAG(56:9) 13C0 [+NH4] 41146.4774 25773.3254 15610.9368 21558.8262 38697.8990 26706.3836 76850.3411 30547.3120 181773.3104 22309.4514 TAG(56:9) 13C1 [+NH4] 18047.8921 18009.8453 56176.1750 117727.0081 TAG(57:0) 13C0 [+NH4] 33264.2683 28720.0781 TAG(57:2) 13C0 [+NH4] 60705.0499 65660.2722 41342.6737 TAG(57:2) 13C1 [+NH4] 43422.9181 TAG(57:3) 13C0 [+NH4] 64619.1301 74328.6966 30834.6126 53738.4432 TAG(57:3) 13C1 [+NH4] 47850.2804 38470.2173 TAG(57:4) 13C0 [+NH4] 66620.6212 38603.9016 33690.2863 TAG(57:7) 13C0 [+NH4] 38765.3662 TAG(58:10) 13C0 [+NH4] 19315.4295 17493.4506 28377.3548 46969.2812 47866.7186 20768.1174 78597.5993 115546.1132 18391.1043 TAG(58:10) 13C1 [+NH4] 20987.2278 30087.6640 78580.7712 TAG(58:11) 13C0 [+NH4] 18111.1467 41733.1424 TAG(58:11) 13C1 [+NH4] 28505.5962 TAG(58:1) 13C0 [+NH4] 32306.9460 28855.9881 TAG(58:1) 13C1 [+NH4] 21233.7752 TAG(58:2) 13C0 [+Na] 34577.7965 TAG(58:2) 13C0 [+NH4] 63473.3033 24353.9970 143376.5714 31859.2464 22662.4689 103722.4918 16320.9664 114495.1464 31028.6182 52298.9082 58832.4264 94274.3734 137599.1852 TAG(58:2) 13C1 [+Na] 23087.9579 TAG(58:2) 13C1 [+NH4] 43499.8704 92088.5506 22336.0748 72638.5134 79471.4987 34816.1294 38033.3437 62917.4804 89261.1809 TAG(58:2) 13C2 [+NH4] 27473.1737 TAG(58:2) 13C3 [+NH4] 98773.4445 TAG(58:3) 13C0 [+Na] 27860.4081 TAG(58:3) 13C0 [+NH4] 52706.7584 21726.0976 13321.8034 29599.3485 188736.3578 13677.2069 39112.1413 32456.0688 141705.3383 23591.5043 142160.3384 48074.4986 88314.5652 73306.4141 137904.3548 106021.2663 13460.2568 TAG(58:3) 13C1 [+Na] 18474.5580 TAG(58:3) 13C1 [+NH4] 20301.9993 127602.5307 27530.6345 21610.0087 94606.0875 15771.4291 90982.8117 38152.6524 62147.1757 43437.8794 92442.4971 68959.6211 TAG(58:3) 13C2 [+NH4] 31193.8243 15523.1068 TAG(58:4) 13C0 [+NH4] 286254.3518 12458.7684 30594.3822 21706.0801 110451.4310 23503.7199 97989.8718 44703.9876 94128.9566 44651.4520 113488.7414 31749.2974 TAG(58:4) 13C1 [+NH4] 180665.2312 17596.7954 68598.0031 16448.4519 70392.8987 60036.6771 31343.3600 78670.7355 20448.7780 TAG(58:5) 13C0 [+NH4] 123307.5237 31160.8024 80393.3102 18126.1175 79359.2886 64578.1280 32510.2297 84987.5214 TAG(58:5) 13C1 [+NH4] 84578.2345 57383.6947 44246.1150 53078.4832 TAG(58:6) 13C0 [+NH4] 22553.2814 19629.1534 78925.8882 47991.0939 21847.2909 105618.1876 11492.6473 130794.5321 25321.6996 42375.5361 38498.5509 116498.7402 19167.1485 TAG(58:6) 13C1 [+NH4] 31482.2729 71175.9095 83483.7745 29004.8305 79752.6928 TAG(58:7) 13C0 [+Na] 31022.1189 TAG(58:7) 13C0 [+NH4] 51136.8970 36606.1071 18683.5345 15693.8216 12486.6093 56413.6694 27160.6132 139897.6909 21794.8814 19630.4361 210517.2511 45241.0345 32415.4075 51727.1562 204808.7302 12643.8688 25907.0978 10460.5503 TAG(58:7) 13C1 [+NH4] 36550.4689 23111.1356 37284.4958 20147.3539 93105.8139 13267.0549 142160.3235 34360.7301 135054.0779 18582.3426 TAG(58:7) 13C2 [+NH4] 36724.9254 TAG(58:8) 13C0 [+Na] 41558.0203 TAG(58:8) 13C0 [+NH4] 58370.6478 42224.9314 24536.5161 22337.1948 17841.6799 55175.8740 13802.2461 62187.6984 76784.6989 31709.7793 18432.6257 157473.3851 17762.8570 15084.6646 28783.7587 24430.7282 247507.4464 45154.7786 27680.2304 29575.8044 51765.0477 283748.5921 11936.3316 25627.5394 TAG(58:8) 13C1 [+Na] 32033.0648 TAG(58:8) 13C1 [+NH4] 42651.3495 28692.5910 16423.4062 13413.8734 12114.8499 42545.8833 22182.2095 102269.5690 19580.5902 17003.4849 167359.4404 34889.9231 192039.6904 17826.1537 TAG(58:8) 13C2 [+NH4] 52512.0196 TAG(58:9) 13C0 [+Na] 37680.5946 TAG(58:9) 13C0 [+NH4] 50760.8506 30156.0012 21476.8018 14775.8110 45016.1813 31300.2102 95331.3789 29617.1883 17300.6066 167537.1885 39014.4957 230547.4661 25471.1310 TAG(58:9) 13C1 [+NH4] 39389.0272 19530.7859 31063.4714 22602.6408 56930.0387 20716.9790 12614.2555 110069.6268 29577.7437 151784.5576 18781.2235 TAG(58:9) 13C2 [+NH4] 36995.6058 TAG(60:10) 13C0 [+NH4] 26219.3264 TAG(60:11) 13C0 [+NH4] 28581.6013 TAG(60:1) 13C0 [+NH4] 13267.0236 TAG(60:2) 13C0 [+Na] 13143.6276 TAG(60:2) 13C0 [+NH4] 34897.1663 53616.1068 TAG(60:2) 13C1 [+NH4] 36618.4069 TAG(60:2) 13C2 [+NH4] 12495.9660 TAG(60:3) 13C0 [+NH4] 64009.4506 45351.6071 47336.7122 36029.4059 TAG(60:3) 13C1 [+NH4] 34869.6313 24772.4979 TAG(60:4) 13C0 [+NH4] 103179.1778 36479.1152 TAG(60:4) 13C1 [+NH4] 66144.6439 TAG(60:5) 13C0 [+NH4] 60452.9723 TAG(60:6) 13C0 [+NH4] 29261.5930 TAG(60:7) 13C0 [+NH4] 30509.8986 TAG(61:0) 13C0 [+Na] 22982.3622 62266.2617 29302.4244 TAG(61:16) 13C0 [+NH4] 35597.5617 TAG(61:16) 13C1 [+NH4] 22615.9251 TAG(63:16) 13C0 [+NH4] 26531.8510 TAG(64:7) 13C0 [+NH4] 60220.4828 TAG(64:7) 13C1 [+NH4] 48127.9791 TAG(65:0) 13C0 [+Na] 47344.4434 21008.6255 14560.6498 23719.3275 15546.9271 17398.8696 TAG(65:18) 13C0 [+H] 32103.9874 TAG(65:2) 13C0 [+NH4] 83625.6375 TAG(65:3) 13C0 [+NH4] 85792.6463 TH-12-keto-LTB4 13C0 [+Na] 12903.0849 13270.0943 19134.7454 19278.4016 24835.0903 TH-12-keto-LTB4 13C0 [+NH4] 20228.2103 26276.7287 39638.4201 22560.9540 29515.1247 20085.3124 17362.3679 16193.1042 16277.7002 13844.8108 12856.9129 15000.7630 13888.0683 12714.6926 11667.0959 13542.9152 46928.7574 37000.2501 57699.1012 26866.2978 28220.3540 27995.0433 26460.6168 32611.3412 23064.4069 14439.6453 16060.1694 12555.5215 13278.3020 67856.9157 13712.5274 19356.5760 12533.5184 10331.0864 13972.2727 16746.8795 18789.8861 13028.2566 16277.8039 33778.3246 30261.3479 25311.1057 32801.6538 31542.0151 18063.9813 13272.2229 14439.5244 14253.2538 18668.3326 15399.4492 20379.0959 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+K] [iSTD] 850.727788 15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+Na] [iSTD] 834.753847 15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+NH4] [iSTD] 829.798454 15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+K] [iSTD] 851.731143 15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+Na] [iSTD] 835.757202 15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+NH4] [iSTD] 830.801809 15:0-18:1(d7)-15:0 TG(33:1) 13C2 [+NH4] [iSTD] 831.805164 15:0-18:1(d7) DG(33:1) 13C0 [+Na] [iSTD] 610.539832 15:0-18:1(d7) DG(33:1) 13C0 [+NH4] [iSTD] 605.584439 15:0-18:1(d7) DG(33:1) 13C1 [+NH4] [iSTD] 606.587794 15:0-18:1(d7) PA(33:1) 13C0 [+NH4] [iSTD] 685.550771 15:0-18:1(d7) PC(33:1) 13C0 [+H] [iSTD] 753.613371 15:0-18:1(d7) PC(33:1) 13C0 [+Na] [iSTD] 775.595313 15:0-18:1(d7) PC(33:1) 13C1 [+H] [iSTD] 754.616726 15:0-18:1(d7) PC(33:1) 13C1 [+Na] [iSTD] 776.598668 15:0-18:1(d7) PC(33:1) 13C2 [+H] [iSTD] 755.620081 15:0-18:1(d7) PC(33:1) 13C2 [+Na] [iSTD] 777.602023 15:0-18:1(d7) PC(33:1) 13C3 [+H] [iSTD] 756.623436 15:0-18:1(d7) PE(33:1) 13C0 [+H] [iSTD] 711.566421 15:0-18:1(d7) PG(33:1) 13C0 [+NH4] [iSTD] 759.587551 15:0-18:1(d7) PG(33:1) 13C1 [+NH4] [iSTD] 760.590906 18:1(d7) Chol Ester(18:1) 13C0 [+K] [iSTD] 696.607278 18:1(d7) Chol Ester(18:1) 13C0 [+Na] [iSTD] 680.633337 18:1(d7) Chol Ester(18:1) 13C0 [+NH4] [iSTD] 675.677944 18:1(d7) Chol Ester(18:1) 13C1 [+K] [iSTD] 697.610633 18:1(d7) Chol Ester(18:1) 13C1 [+Na] [iSTD] 681.636692 18:1(d7) Chol Ester(18:1) 13C1 [+NH4] [iSTD] 676.681299 18:1(d7) Chol Ester(18:1) 13C2 [+Na] [iSTD] 682.640047 18:1(d7) Chol Ester(18:1) 13C2 [+NH4] [iSTD] 677.684654 18:1(d7) Chol Ester(18:1) 13C3 [+NH4] [iSTD] 678.688009 18:1(d7) LPC(18:1) 13C0 [+H] [iSTD] 529.399356 18:1(d7) LPC(18:1) 13C0 [+Na] [iSTD] 551.381298 18:1(d7) LPC(18:1) 13C1 [+H] [iSTD] 530.402711 18:1(d7) LPC(18:1) 13C1 [+Na] [iSTD] 552.384653 18:1(d7) LPE(18:1) 13C0 [+H] [iSTD] 487.352406 18:1(d7) MG(18:1) 13C0 [+Na] [iSTD] 386.325817 18:1(d7) MG(18:1) 13C1 [+Na] [iSTD] 387.329172 CE(14:0) 13C0 [+NH4] 614.587055 CE(14:0) 13C1 [+NH4] 615.59041 CE(15:0) 13C0 [+NH4] 628.602705 CE(15:0) 13C1 [+NH4] 629.60606 CE(16:0) 13C0 [+K] 663.547689 CE(16:0) 13C0 [+Na] 647.573748 CE(16:0) 13C0 [+NH4] 642.618355 CE(16:0) 13C1 [+K] 664.551044 CE(16:0) 13C1 [+Na] 648.577103 CE(16:0) 13C1 [+NH4] 643.62171 CE(16:0) 13C2 [+NH4] 644.625065 CE(16:1) 13C0 [+K] 661.532039 CE(16:1) 13C0 [+Na] 645.558098 CE(16:1) 13C0 [+NH4] 640.602705 CE(16:1) 13C1 [+K] 662.535394 CE(16:1) 13C1 [+Na] 646.561453 CE(16:1) 13C1 [+NH4] 641.60606 CE(16:1) 13C2 [+NH4] 642.609415 CE(17:0) 13C0 [+NH4] 656.634005 CE(17:1) 13C0 [+NH4] 654.618355 CE(18:0) 13C0 [+NH4] 670.649655 CE(18:0) 13C1 [+NH4] 671.65301 CE(18:1) 13C0 [+K] 689.563339 CE(18:1) 13C0 [+Na] 673.589398 CE(18:1) 13C0 [+NH4] 668.634005 CE(18:1) 13C1 [+K] 690.566694 CE(18:1) 13C1 [+Na] 674.592753 CE(18:1) 13C1 [+NH4] 669.63736 CE(18:1) 13C2 [+K] 691.570049 CE(18:1) 13C2 [+Na] 675.596108 CE(18:1) 13C2 [+NH4] 670.640715 CE(18:1) 13C3 [+NH4] 671.64407 CE(18:2) 13C0 [+K] 687.547689 CE(18:2) 13C0 [+Na] 671.573748 CE(18:2) 13C0 [+NH4] 666.618355 CE(18:2) 13C1 [+K] 688.551044 CE(18:2) 13C1 [+Na] 672.577103 CE(18:2) 13C1 [+NH4] 667.62171 CE(18:2) 13C2 [+K] 689.554399 CE(18:2) 13C2 [+Na] 673.580458 CE(18:2) 13C2 [+NH4] 668.625065 CE(18:2) 13C3 [+K] 690.557754 CE(18:2) 13C3 [+Na] 674.583813 CE(18:2) 13C3 [+NH4] 669.62842 CE(18:3) 13C0 [+K] 685.532039 CE(18:3) 13C0 [+Na] 669.558098 CE(18:3) 13C0 [+NH4] 664.602705 CE(18:3) 13C1 [+K] 686.535394 CE(18:3) 13C1 [+Na] 670.561453 CE(18:3) 13C1 [+NH4] 665.60606 CE(18:3) 13C3 [+NH4] 667.61277 CE(19:0) 13C0 [+NH4] 684.665305 CE(19:0) 13C1 [+NH4] 685.66866 CE(19:1) 13C0 [+NH4] 682.649655 CE(19:2) 13C0 [+NH4] 680.634005 CE(19:2) 13C1 [+NH4] 681.63736 CE(19:2) 13C2 [+NH4] 682.640715 CE(19:3) 13C0 [+NH4] 678.618355 CE(20:0) 13C0 [+NH4] 698.680955 CE(20:0) 13C1 [+NH4] 699.68431 CE(20:2) 13C0 [+NH4] 694.649655 CE(20:3) 13C0 [+K] 713.563339 CE(20:3) 13C0 [+Na] 697.589398 CE(20:3) 13C0 [+NH4] 692.634005 CE(20:3) 13C1 [+K] 714.566694 CE(20:3) 13C1 [+Na] 698.592753 CE(20:3) 13C1 [+NH4] 693.63736 CE(20:3) 13C2 [+Na] 699.596108 CE(20:3) 13C2 [+NH4] 694.640715 CE(20:4) 13C0 [+K] 711.547689 CE(20:4) 13C0 [+Na] 695.573748 CE(20:4) 13C0 [+NH4] 690.618355 CE(20:4) 13C1 [+K] 712.551044 CE(20:4) 13C1 [+Na] 696.577103 CE(20:4) 13C1 [+NH4] 691.62171 CE(20:4) 13C2 [+K] 713.554399 CE(20:4) 13C2 [+Na] 697.580458 CE(20:4) 13C2 [+NH4] 692.625065 CE(20:4) 13C3 [+NH4] 693.62842 CE(20:5) 13C0 [+K] 709.532039 CE(20:5) 13C0 [+Na] 693.558098 CE(20:5) 13C0 [+NH4] 688.602705 CE(20:5) 13C1 [+Na] 694.561453 CE(20:5) 13C1 [+NH4] 689.60606 CE(21:0) 13C0 [+NH4] 712.696605 CE(21:0) 13C1 [+NH4] 713.69996 CE(21:4) 13C0 [+NH4] 704.634005 CE(22:0) 13C0 [+NH4] 726.712255 CE(22:0) 13C1 [+NH4] 727.71561 CE(22:1) 13C0 [+NH4] 724.696605 CE(22:1) 13C1 [+NH4] 725.69996 CE(22:2) 13C0 [+NH4] 722.680955 CE(22:2) 13C1 [+NH4] 723.68431 CE(22:2) 13C2 [+NH4] 724.687665 CE(22:6) 13C0 [+K] 735.547689 CE(22:6) 13C0 [+Na] 719.573748 CE(22:6) 13C0 [+NH4] 714.618355 CE(22:6) 13C1 [+NH4] 715.62171 CE(23:0) 13C0 [+NH4] 740.727905 CE(23:0) 13C1 [+NH4] 741.73126 CE(23:2) 13C0 [+NH4] 736.696605 CE(24:0) 13C0 [+NH4] 754.743555 CE(24:0) 13C1 [+NH4] 755.74691 CE(24:2) 13C0 [+NH4] 750.712255 CE(24:4) 13C0 [+NH4] 746.680955 CE(25:0) 13C0 [+NH4] 768.759205 CE(26:0) 13C0 [+NH4] 782.774855 Cer-1P(38:2) 13C0 [+NH4] 689.559201 Cer-1P(38:2) 13C1 [+NH4] 690.562556 Cer-1P(40:2) 13C0 [+NH4] 717.590501 Cer-1P(40:2) 13C1 [+NH4] 718.593856 Cer-1P(42:2) 13C0 [+NH4] 745.621801 Cer-1P(44:2) 13C0 [+NH4] 773.653101 Cer-1P(44:2) 13C1 [+NH4] 774.656456 Cer(30:0) 13C0 [+H] 484.47242 Cer(30:2) 13C0 [+H] 480.44112 Cer(32:0) 13C0 [+H] 512.50372 Cer(32:0) 13C1 [+H] 513.507075 Cer(34:0) 13C0 [+H] 540.53502 Cer(34:0) 13C1 [+H] 541.538375 Cer(36:0) 13C0 [+H] 568.56632 Cer(36:3) 13C0 [+H] 562.51937 Cer(36:3) 13C1 [+H] 563.522725 Cer(36:3) 13C2 [+H] 564.52608 Cer(38:3) 13C0 [+H] 590.55067 Cer(38:3) 13C1 [+H] 591.554025 Cer(40:0) 13C0 [+H] 624.62892 Cer(40:2) 13C0 [+NH4] 637.624169 Cer(40:2) 13C1 [+NH4] 638.627524 Cer(40:3) 13C0 [+H] 618.58197 Cer(40:3) 13C1 [+H] 619.585325 Cer(42:0) 13C0 [+H] 652.66022 Cer(42:1) 13C0 [+H] 650.64457 Cer(42:2) 13C0 [+NH4] 665.655469 Cer(42:2) 13C1 [+NH4] 666.658824 Cer(42:2) 13C2 [+NH4] 667.662179 Cer(42:4) 13C0 [+H] 644.59762 Cer(42:4) 13C1 [+H] 645.600975 Cer(44:0) 13C0 [+H] 680.69152 Cer(44:4) 13C0 [+H] 672.62892 Cholesterol 13C0 [+NH4] 404.38869 DAG(22:1) 13C0 [+NH4] 444.36835 DAG(22:1) 13C1 [+NH4] 445.371705 DAG(22:2) 13C0 [+NH4] 442.3527 DAG(22:4) 13C0 [+NH4] 438.3214 DAG(24:3) 13C0 [+Na] 473.323743 DAG(24:3) 13C0 [+NH4] 468.36835 DAG(26:1) 13C0 [+Na] 505.386343 DAG(26:1) 13C1 [+Na] 506.389698 DAG(26:2) 13C0 [+NH4] 498.4153 DAG(28:0) 13C0 [+NH4] 530.4779 DAG(30:0) 13C0 [+K] 579.438534 DAG(30:0) 13C0 [+Na] 563.464593 DAG(30:0) 13C0 [+NH4] 558.5092 DAG(30:0) 13C1 [+K] 580.441889 DAG(30:0) 13C1 [+NH4] 559.512555 DAG(32:0) 13C0 [+K] 607.469834 DAG(32:0) 13C0 [+Na] 591.495893 DAG(32:0) 13C0 [+NH4] 586.5405 DAG(32:0) 13C1 [+K] 608.473189 DAG(32:0) 13C1 [+NH4] 587.543855 DAG(32:0) 13C2 [+K] 609.476544 DAG(32:1) 13C0 [+NH4] 584.52485 DAG(32:3) 13C0 [+H] 563.467001 DAG(32:3) 13C0 [+Na] 585.448943 DAG(32:3) 13C0 [+NH4] 580.49355 DAG(32:3) 13C1 [+H] 564.470356 DAG(32:3) 13C1 [+NH4] 581.496905 DAG(32:4) 13C0 [+H] 561.451351 DAG(32:6) 13C0 [+NH4] 574.4466 DAG(34:0) 13C0 [+K] 635.501134 DAG(34:0) 13C0 [+Na] 619.527193 DAG(34:0) 13C0 [+NH4] 614.5718 DAG(34:0) 13C1 [+K] 636.504489 DAG(34:0) 13C1 [+NH4] 615.575155 DAG(34:0) 13C2 [+NH4] 616.57851 DAG(34:1) 13C0 [+Na] 617.511543 DAG(34:1) 13C0 [+NH4] 612.55615 DAG(34:1) 13C1 [+NH4] 613.559505 DAG(34:2) 13C0 [+Na] 615.495893 DAG(34:2) 13C0 [+NH4] 610.5405 DAG(34:2) 13C1 [+NH4] 611.543855 DAG(34:3) 13C0 [+NH4] 608.52485 DAG(34:6) 13C0 [+K] 623.407234 DAG(36:0) 13C0 [+K] 663.532434 DAG(36:0) 13C0 [+Na] 647.558493 DAG(36:0) 13C0 [+NH4] 642.6031 DAG(36:0) 13C1 [+K] 664.535789 DAG(36:0) 13C1 [+NH4] 643.606455 DAG(36:1) 13C0 [+NH4] 640.58745 DAG(36:1) 13C1 [+NH4] 641.590805 DAG(36:1) 13C2 [+NH4] 642.59416 DAG(36:2) 13C0 [+Na] 643.527193 DAG(36:2) 13C0 [+NH4] 638.5718 DAG(36:2) 13C1 [+Na] 644.530548 DAG(36:2) 13C1 [+NH4] 639.575155 DAG(36:3) 13C0 [+K] 657.485484 DAG(36:3) 13C0 [+Na] 641.511543 DAG(36:3) 13C0 [+NH4] 636.55615 DAG(36:3) 13C1 [+Na] 642.514898 DAG(36:3) 13C1 [+NH4] 637.559505 DAG(36:4) 13C0 [+Na] 639.495893 DAG(36:4) 13C0 [+NH4] 634.5405 DAG(36:4) 13C1 [+Na] 640.499248 DAG(36:4) 13C1 [+NH4] 635.543855 DAG(38:0) 13C0 [+K] 691.563734 DAG(38:0) 13C0 [+NH4] 670.6344 DAG(38:0) 13C1 [+NH4] 671.637755 DAG(38:11) 13C0 [+NH4] 648.46225 DAG(38:11) 13C1 [+NH4] 649.465605 DAG(38:11) 13C2 [+NH4] 650.46896 DAG(38:1) 13C0 [+NH4] 668.61875 DAG(38:1) 13C1 [+NH4] 669.622105 DAG(38:1) 13C2 [+NH4] 670.62546 DAG(38:2) 13C0 [+NH4] 666.6031 DAG(38:2) 13C1 [+NH4] 667.606455 DAG(38:4) 13C0 [+NH4] 662.5718 DAG(38:6) 13C0 [+NH4] 658.5405 DAG(40:0) 13C0 [+NH4] 698.6657 DAG(40:0) 13C1 [+NH4] 699.669055 DAG(40:11) 13C0 [+K] 697.422884 DAG(40:1) 13C0 [+NH4] 696.65005 DAG(40:1) 13C1 [+NH4] 697.653405 DAG(40:2) 13C0 [+NH4] 694.6344 DAG(40:2) 13C1 [+NH4] 695.637755 DAG(40:3) 13C0 [+NH4] 692.61875 DAG(40:4) 13C0 [+NH4] 690.6031 DAG(40:4) 13C1 [+NH4] 691.606455 DAG(40:5) 13C0 [+NH4] 688.58745 DAG(40:5) 13C1 [+NH4] 689.590805 DAG(42:0) 13C0 [+NH4] 726.697 DAG(42:0) 13C1 [+NH4] 727.700355 DAG(42:1) 13C0 [+NH4] 724.68135 DAG(42:4) 13C0 [+NH4] 718.6344 DAG(42:5) 13C0 [+NH4] 716.61875 DAG(42:5) 13C1 [+NH4] 717.622105 DAG(44:0) 13C0 [+NH4] 754.7283 DAG(44:3) 13C0 [+K] 769.610684 DAG(44:4) 13C0 [+NH4] 746.6657 DAG(44:4) 13C1 [+NH4] 747.669055 DAG(46:0) 13C0 [+NH4] 782.7596 DAG(46:4) 13C0 [+NH4] 774.697 DAG(46:4) 13C1 [+NH4] 775.700355 DAG(46:5) 13C0 [+NH4] 772.68135 FA(11:1) 13C0 [+H] 185.153606 FA(11:1) 13C0 [+NH4] 202.180155 FA(11:1) 13C1 [+NH4] 203.18351 FA(12:1) 13C0 [+H] 199.169256 FA(12:1) 13C0 [+NH4] 216.195805 FA(12:1) 13C1 [+H] 200.172611 FA(13:1) 13C0 [+H] 213.184906 FA(14:0) 13C0 [+H] 229.216206 FA(14:0) 13C0 [+K] 267.172089 FA(14:1) 13C0 [+H] 227.200556 FA(14:1) 13C0 [+K] 265.156439 FA(14:1) 13C0 [+Na] 249.182498 FA(14:1) 13C0 [+NH4] 244.227105 FA(14:2) 13C0 [+H] 225.184906 FA(14:2) 13C0 [+NH4] 242.211455 FA(14:2) 13C1 [+NH4] 243.21481 FA(15:0) 13C0 [+NH4] 260.258405 FA(15:0) 13C1 [+NH4] 261.26176 FA(15:1) 13C0 [+H] 241.216206 FA(15:1) 13C0 [+NH4] 258.242755 FA(15:2) 13C0 [+H] 239.200556 FA(15:2) 13C0 [+NH4] 256.227105 FA(16:0) 13C0 [+H] 257.247506 FA(16:0) 13C0 [+NH4] 274.274055 FA(16:1) 13C0 [+H] 255.231856 FA(16:1) 13C0 [+NH4] 272.258405 FA(16:1) 13C1 [+NH4] 273.26176 FA(16:2) 13C0 [+H] 253.216206 FA(16:2) 13C0 [+NH4] 270.242755 FA(16:3) 13C0 [+H] 251.200556 FA(16:3) 13C1 [+H] 252.203911 FA(17:0) 13C0 [+H] 271.263156 FA(17:0) 13C0 [+NH4] 288.289705 FA(17:0) 13C1 [+NH4] 289.29306 FA(17:0) 13C2 [+NH4] 290.296415 FA(17:0) 13C3 [+H] 274.273221 FA(17:1) 13C0 [+H] 269.247506 FA(17:1) 13C0 [+NH4] 286.274055 FA(17:1) 13C1 [+NH4] 287.27741 FA(17:1) 13C2 [+NH4] 288.280765 FA(17:2) 13C0 [+NH4] 284.258405 FA(17:2) 13C1 [+NH4] 285.26176 FA(17:3) 13C0 [+H] 265.216206 FA(17:3) 13C0 [+NH4] 282.242755 FA(18:0) 13C0 [+H] 285.278806 FA(18:0) 13C0 [+Na] 307.260748 FA(18:0) 13C0 [+NH4] 302.305355 FA(18:0) 13C3 [+H] 288.288871 FA(18:1) 13C0 [+H] 283.263156 FA(18:1) 13C0 [+NH4] 300.289705 FA(18:1) 13C1 [+NH4] 301.29306 FA(18:2) 13C0 [+H] 281.247506 FA(18:2) 13C0 [+NH4] 298.274055 FA(18:2) 13C1 [+NH4] 299.27741 FA(18:3) 13C0 [+H] 279.231856 FA(18:3) 13C0 [+Na] 301.213798 FA(18:3) 13C0 [+NH4] 296.258405 FA(18:3) 13C1 [+H] 280.235211 FA(18:3) 13C2 [+H] 281.238566 FA(18:4) 13C0 [+H] 277.216206 FA(18:4) 13C0 [+NH4] 294.242755 FA(18:4) 13C1 [+H] 278.219561 FA(19:0) 13C0 [+H] 299.294456 FA(19:0) 13C0 [+NH4] 316.321005 FA(19:0) 13C1 [+NH4] 317.32436 FA(19:0) 13C2 [+NH4] 318.327715 FA(19:0) 13C3 [+H] 302.304521 FA(19:1) 13C0 [+H] 297.278806 FA(19:1) 13C0 [+NH4] 314.305355 FA(19:1) 13C1 [+NH4] 315.30871 FA(19:2) 13C0 [+H] 295.263156 FA(19:2) 13C0 [+NH4] 312.289705 FA(19:2) 13C1 [+NH4] 313.29306 FA(19:3) 13C0 [+NH4] 310.274055 FA(19:4) 13C0 [+H] 291.231856 FA(20:0) 13C0 [+NH4] 330.336655 FA(20:1) 13C0 [+H] 311.294456 FA(20:1) 13C0 [+NH4] 328.321005 FA(20:2) 13C0 [+H] 309.278806 FA(20:2) 13C0 [+NH4] 326.305355 FA(20:3) 13C0 [+H] 307.263156 FA(20:3) 13C0 [+NH4] 324.289705 FA(21:0) 13C0 [+NH4] 344.352305 FA(21:1) 13C0 [+NH4] 342.336655 FA(21:2) 13C0 [+NH4] 340.321005 FA(22:0) 13C0 [+NH4] 358.367955 FA(22:0) 13C1 [+NH4] 359.37131 FA(22:1) 13C0 [+NH4] 356.352305 FA(22:2) 13C0 [+NH4] 354.336655 FA(22:2) 13C1 [+NH4] 355.34001 FA(22:3) 13C0 [+NH4] 352.321005 FA(22:3) 13C1 [+NH4] 353.32436 FA(22:4) 13C0 [+NH4] 350.305355 FA(23:1) 13C0 [+H] 353.341406 FA(23:2) 13C0 [+NH4] 368.352305 FA(24:0) 13C0 [+K] 407.328589 FA(24:0) 13C0 [+NH4] 386.399255 FA(24:1) 13C0 [+H] 367.357056 FA(24:1) 13C0 [+NH4] 384.383605 FA(24:2) 13C0 [+NH4] 382.367955 FA(25:1) 13C0 [+H] 381.372706 FA(25:2) 13C0 [+NH4] 396.383605 FA(26:0) 13C0 [+K] 435.359889 FA(26:0) 13C0 [+NH4] 414.430555 FA(26:1) 13C0 [+H] 395.388356 FA(26:1) 13C0 [+NH4] 412.414905 FA(26:2) 13C0 [+NH4] 410.399255 FA(26:5) 13C0 [+H] 387.325756 HexCer(30:0) 13C0 [+H] 646.525245 HexCer(30:0) 13C1 [+H] 647.5286 HexCer(30:2) 13C0 [+H] 642.493945 HexCer(30:2) 13C0 [+K] 680.449828 HexCer(32:0) 13C0 [+H] 674.556545 HexCer(32:0) 13C1 [+H] 675.5599 HexCer(32:1) 13C0 [+H] 672.540895 HexCer(34:0) 13C0 [+H] 702.587845 HexCer(34:0) 13C1 [+H] 703.5912 HexCer(34:1) 13C0 [+H] 700.572195 HexCer(34:1) 13C1 [+H] 701.57555 HexCer(36:0) 13C0 [+H] 730.619145 HexCer(36:0) 13C1 [+H] 731.6225 HexCer(36:1) 13C0 [+H] 728.603495 HexCer(36:1) 13C1 [+H] 729.60685 HexCer(38:0) 13C0 [+H] 758.650445 HexCer(38:0) 13C1 [+H] 759.6538 HexCer(38:1) 13C0 [+H] 756.634795 HexCer(38:1) 13C1 [+H] 757.63815 HexCer(38:2) 13C0 [+NH4] 771.645694 HexCer(38:2) 13C1 [+NH4] 772.649049 HexCer(38:2) 13C2 [+NH4] 773.652404 HexCer(38:4) 13C0 [+H] 750.587845 HexCer(38:4) 13C0 [+NH4] 767.614394 HexCer(38:4) 13C1 [+NH4] 768.617749 HexCer(40:0) 13C0 [+H] 786.681745 HexCer(40:1) 13C0 [+H] 784.666095 HexCer(40:1) 13C1 [+H] 785.66945 HexCer(40:4) 13C0 [+NH4] 795.645694 HexCer(42:0) 13C0 [+H] 814.713045 HexCer(42:1) 13C0 [+H] 812.697395 LacCer(34:1) 13C0 [+H] 862.62502 LacCer(36:0) 13C0 [+H] 892.67197 LacCer(38:0) 13C0 [+H] 920.70327 LacCer(40:2) 13C0 [+H] 944.70327 LacCer(40:2) 13C1 [+H] 945.706625 LacCer(42:2) 13C0 [+H] 972.73457 LTB4-DMA 13C0 [+NH4] 381.311169 LTB4-DMA 13C1 [+NH4] 382.314524 LTB4-ETA 13C0 [+H] 380.279535 LTB4-ETA 13C0 [+NH4] 397.306084 LTB4-ETA 13C1 [+NH4] 398.309439 LysoPA(20:0) 13C0 [+K] 505.269101 LysoPA(20:1) 13C0 [+NH4] 482.324117 LysoPA(20:1) 13C1 [+NH4] 483.327472 LysoPA(20:3) 13C0 [+NH4] 478.292817 LysoPA(22:1) 13C0 [+NH4] 510.355417 LysoPA(24:0) 13C0 [+K] 561.331701 LysoPA(24:0) 13C1 [+K] 562.335056 LysoPA(24:1) 13C0 [+K] 559.316051 LysoPA(26:0) 13C0 [+K] 589.363001 LysoPC(14:0) 13C0 [+H] 468.308467 LysoPC(16:0) 13C0 [+H] 496.339767 LysoPC(16:0) 13C0 [+Na] 518.321709 LysoPC(16:0) 13C1 [+H] 497.343122 LysoPC(16:0) 13C1 [+Na] 519.325064 LysoPC(16:0) 13C2 [+H] 498.346477 LysoPC(16:1) 13C0 [+H] 494.324117 LysoPC(16:1) 13C1 [+H] 495.327472 LysoPC(18:0) 13C0 [+H] 524.371067 LysoPC(18:0) 13C0 [+Na] 546.353009 LysoPC(18:0) 13C1 [+H] 525.374422 LysoPC(18:0) 13C1 [+Na] 547.356364 LysoPC(18:0) 13C2 [+H] 526.377777 LysoPC(18:1) 13C0 [+H] 522.355417 LysoPC(18:1) 13C0 [+Na] 544.337359 LysoPC(18:1) 13C1 [+H] 523.358772 LysoPC(18:1) 13C2 [+H] 524.362127 LysoPC(18:2) 13C0 [+H] 520.339767 LysoPC(18:2) 13C0 [+Na] 542.321709 LysoPC(18:2) 13C1 [+H] 521.343122 LysoPC(18:2) 13C1 [+Na] 543.325064 LysoPC(18:2) 13C2 [+H] 522.346477 LysoPC(20:3) 13C0 [+H] 546.355417 LysoPC(20:4) 13C0 [+H] 544.339767 LysoPC(20:4) 13C0 [+Na] 566.321709 LysoPC(20:4) 13C1 [+H] 545.343122 LysoPC(22:1) 13C0 [+Na] 600.399959 LysoPC(22:5) 13C0 [+H] 570.355417 LysoPC(22:5) 13C1 [+H] 571.358772 LysoPC(22:6) 13C0 [+H] 568.339767 LysoPC(22:6) 13C1 [+H] 569.343122 LysoPC(24:3) 13C0 [+K] 640.3739 LysoPC(24:3) 13C1 [+K] 641.377255 LysoPC(26:0) 13C0 [+H] 636.496267 LysoPC-pmg(12:1) 13C0 [+H] 424.282252 LysoPC-pmg(12:1) 13C1 [+H] 425.285607 LysoPC-pmg(16:0) 13C0 [+H] 482.360502 LysoPC-pmg(16:1) 13C0 [+H] 480.344852 LysoPE(10:0) 13C0 [+NH4] 387.225466 LysoPE(14:0) 13C0 [+NH4] 443.288066 LysoPE(16:1) 13C0 [+H] 452.277167 LysoPE(16:1) 13C0 [+Na] 474.259109 LysoPE(16:1) 13C2 [+H] 454.283877 LysoPE(20:4) 13C0 [+NH4] 519.319366 LysoPE(20:4) 13C1 [+NH4] 520.322721 LysoPE(22:4) 13C0 [+NH4] 547.350666 LysoPE-pmg(14:2) 13C0 [+H] 408.250952 LysoPG(18:3) 13C0 [+H] 507.271748 LysoPG(26:4) 13C0 [+H] 617.381298 LysoPS(14:2) 13C0 [+H] 466.220047 LysoPS(18:0) 13C0 [+NH4] 543.340496 LysoPS(22:2) 13C0 [+NH4] 595.371796 LysoPS(24:5) 13C0 [+NH4] 617.356146 LysoPS(24:5) 13C1 [+NH4] 618.359501 LysoPS(26:2) 13C0 [+NH4] 651.434396 LysoPS(26:2) 13C1 [+NH4] 652.437751 LysoPS(26:6) 13C0 [+NH4] 643.371796 MAG(10:1) 13C0 [+H] 245.174736 MAG(12:1) 13C0 [+H] 273.206036 MAG(12:1) 13C0 [+NH4] 290.232585 MAG(14:0) 13C0 [+NH4] 320.279535 MAG(14:0) 13C1 [+NH4] 321.28289 MAG(14:1) 13C0 [+NH4] 318.263885 MAG(14:2) 13C0 [+K] 337.177569 MAG(14:2) 13C0 [+NH4] 316.248235 MAG(16:0) 13C0 [+Na] 353.266228 MAG(16:0) 13C0 [+NH4] 348.310835 MAG(16:1) 13C0 [+NH4] 346.295185 MAG(16:1) 13C1 [+NH4] 347.29854 MAG(16:2) 13C0 [+NH4] 344.279535 MAG(16:3) 13C0 [+H] 325.237336 MAG(16:3) 13C0 [+Na] 347.219278 MAG(16:3) 13C0 [+NH4] 342.263885 MAG(18:0) 13C0 [+H] 359.315586 MAG(18:0) 13C0 [+K] 397.271469 MAG(18:0) 13C0 [+Na] 381.297528 MAG(18:0) 13C0 [+NH4] 376.342135 MAG(18:0) 13C1 [+Na] 382.300883 MAG(18:1) 13C0 [+H] 357.299936 MAG(18:1) 13C0 [+K] 395.255819 MAG(18:1) 13C0 [+Na] 379.281878 MAG(18:1) 13C0 [+NH4] 374.326485 MAG(18:1) 13C1 [+NH4] 375.32984 MAG(18:2) 13C0 [+Na] 377.266228 MAG(18:2) 13C0 [+NH4] 372.310835 MAG(18:3) 13C0 [+NH4] 370.295185 MAG(20:1) 13C0 [+H] 385.331236 MAG(20:1) 13C0 [+NH4] 402.357785 MAG(20:1) 13C1 [+NH4] 403.36114 MAG(20:1) 13C2 [+NH4] 404.364495 MAG(20:2) 13C0 [+NH4] 400.342135 MAG(20:3) 13C0 [+NH4] 398.326485 MAG(20:5) 13C0 [+Na] 399.250578 MAG(20:5) 13C1 [+Na] 400.253933 MAG(22:1) 13C0 [+H] 413.362536 MAG(22:1) 13C0 [+NH4] 430.389085 MAG(22:1) 13C1 [+NH4] 431.39244 MAG(22:1) 13C2 [+NH4] 432.395795 MAG(22:2) 13C0 [+NH4] 428.373435 MAG(22:2) 13C1 [+NH4] 429.37679 MAG(22:3) 13C0 [+NH4] 426.357785 MAG(22:5) 13C0 [+NH4] 422.326485 MAG(24:1) 13C0 [+H] 441.393836 MAG(24:1) 13C0 [+NH4] 458.420385 MAG(24:2) 13C0 [+NH4] 456.404735 MAG(24:2) 13C3 [+NH4] 459.4148 MAG(24:3) 13C0 [+NH4] 454.389085 MAG(24:4) 13C0 [+H] 435.346886 MAG(24:4) 13C0 [+Na] 457.328828 MAG(24:4) 13C0 [+NH4] 452.373435 MAG(24:4) 13C1 [+Na] 458.332183 MAG(24:4) 13C1 [+NH4] 453.37679 MAG(24:5) 13C0 [+H] 433.331236 MAG(24:5) 13C0 [+Na] 455.313178 MAG(24:5) 13C1 [+H] 434.334591 MAG(24:5) 13C1 [+Na] 456.316533 MAG(26:1) 13C0 [+H] 469.425136 MAG(26:1) 13C0 [+NH4] 486.451685 MAG(26:2) 13C0 [+NH4] 484.436035 MAG(26:2) 13C1 [+NH4] 485.43939 MAG(26:3) 13C0 [+NH4] 482.420385 MAG(26:5) 13C0 [+H] 461.362536 MAG(26:5) 13C0 [+NH4] 478.389085 PA(44:0) 13C0 [+H] 817.668083 PA(44:1) 13C0 [+H] 815.652433 PA(44:2) 13C0 [+H] 813.636783 PA(44:7) 13C0 [+H] 803.558533 PA(44:7) 13C1 [+H] 804.561888 PC(30:0) 13C0 [+H] 706.538132 PC(30:0) 13C1 [+H] 707.541487 PC(30:2) 13C0 [+Na] 724.488774 PC(32:0) 13C0 [+H] 734.569432 PC(32:0) 13C1 [+H] 735.572787 PC(32:0) 13C2 [+H] 736.576142 PC(32:1) 13C0 [+H] 732.553782 PC(32:1) 13C0 [+Na] 754.535724 PC(32:1) 13C1 [+H] 733.557137 PC(32:1) 13C2 [+H] 734.560492 PC(32:2) 13C0 [+H] 730.538132 PC(32:2) 13C1 [+H] 731.541487 PC(34:0) 13C0 [+H] 762.600732 PC(34:0) 13C1 [+H] 763.604087 PC(34:1) 13C0 [+H] 760.585082 PC(34:1) 13C1 [+H] 761.588437 PC(34:1) 13C2 [+H] 762.591792 PC(34:1) 13C3 [+H] 763.595147 PC(34:2) 13C0 [+H] 758.569432 PC(34:2) 13C0 [+K] 796.525315 PC(34:2) 13C0 [+Na] 780.551374 PC(34:2) 13C1 [+H] 759.572787 PC(34:2) 13C1 [+Na] 781.554729 PC(34:2) 13C2 [+H] 760.576142 PC(34:2) 13C2 [+Na] 782.558084 PC(34:2) 13C3 [+H] 761.579497 PC(34:3) 13C0 [+H] 756.553782 PC(34:3) 13C0 [+Na] 778.535724 PC(34:3) 13C1 [+H] 757.557137 PC(34:4) 13C0 [+H] 754.538132 PC(36:1) 13C0 [+H] 788.616382 PC(36:1) 13C1 [+H] 789.619737 PC(36:1) 13C2 [+H] 790.623092 PC(36:2) 13C0 [+H] 786.600732 PC(36:2) 13C1 [+H] 787.604087 PC(36:2) 13C2 [+H] 788.607442 PC(36:2) 13C3 [+H] 789.610797 PC(36:3) 13C0 [+H] 784.585082 PC(36:3) 13C1 [+H] 785.588437 PC(36:3) 13C2 [+H] 786.591792 PC(36:4) 13C0 [+H] 782.569432 PC(36:4) 13C0 [+Na] 804.551374 PC(36:4) 13C1 [+H] 783.572787 PC(36:4) 13C1 [+Na] 805.554729 PC(36:4) 13C2 [+H] 784.576142 PC(36:4) 13C2 [+Na] 806.558084 PC(36:4) 13C3 [+H] 785.579497 PC(36:5) 13C0 [+H] 780.553782 PC(36:5) 13C0 [+Na] 802.535724 PC(36:5) 13C1 [+H] 781.557137 PC(36:9) 13C0 [+H] 772.491182 PC(38:2) 13C0 [+H] 814.632032 PC(38:2) 13C1 [+H] 815.635387 PC(38:3) 13C0 [+H] 812.616382 PC(38:3) 13C1 [+H] 813.619737 PC(38:3) 13C2 [+H] 814.623092 PC(38:4) 13C0 [+H] 810.600732 PC(38:4) 13C0 [+Na] 832.582674 PC(38:4) 13C1 [+H] 811.604087 PC(38:4) 13C1 [+Na] 833.586029 PC(38:4) 13C2 [+H] 812.607442 PC(38:4) 13C2 [+Na] 834.589384 PC(38:4) 13C3 [+H] 813.610797 PC(38:5) 13C0 [+H] 808.585082 PC(38:5) 13C0 [+Na] 830.567024 PC(38:5) 13C1 [+H] 809.588437 PC(38:5) 13C1 [+Na] 831.570379 PC(38:5) 13C2 [+H] 810.591792 PC(38:6) 13C0 [+H] 806.569432 PC(38:6) 13C0 [+Na] 828.551374 PC(38:6) 13C1 [+H] 807.572787 PC(38:6) 13C1 [+Na] 829.554729 PC(38:6) 13C2 [+H] 808.576142 PC(40:4) 13C0 [+H] 838.632032 PC(40:4) 13C1 [+H] 839.635387 PC(40:5) 13C0 [+H] 836.616382 PC(40:5) 13C1 [+H] 837.619737 PC(40:5) 13C2 [+H] 838.623092 PC(40:6) 13C0 [+H] 834.600732 PC(40:6) 13C0 [+Na] 856.582674 PC(40:6) 13C1 [+H] 835.604087 PC(40:6) 13C1 [+Na] 857.586029 PC(40:6) 13C2 [+H] 836.607442 PC(40:7) 13C0 [+H] 832.585082 PC(40:7) 13C1 [+H] 833.588437 PC(44:12) 13C0 [+K] 916.525315 PC-pmg(32:0) 13C0 [+H] 720.590167 PC-pmg(32:0) 13C1 [+H] 721.593522 PC-pmg(32:0) 13C3 [+H] 723.600232 PC-pmg(32:1) 13C0 [+H] 718.574517 PC-pmg(32:1) 13C1 [+H] 719.577872 PC-pmg(32:6) 13C0 [+K] 746.45215 PC-pmg(34:1) 13C0 [+H] 746.605817 PC-pmg(34:1) 13C1 [+H] 747.609172 PC-pmg(34:2) 13C0 [+H] 744.590167 PC-pmg(34:2) 13C1 [+H] 745.593522 PC-pmg(34:3) 13C0 [+H] 742.574517 PC-pmg(34:3) 13C1 [+H] 743.577872 PC-pmg(36:2) 13C0 [+H] 772.621467 PC-pmg(36:2) 13C1 [+H] 773.624822 PC-pmg(36:3) 13C0 [+H] 770.605817 PC-pmg(36:3) 13C1 [+H] 771.609172 PC-pmg(36:4) 13C0 [+H] 768.590167 PC-pmg(36:4) 13C1 [+H] 769.593522 PC-pmg(36:4) 13C2 [+H] 770.596877 PC-pmg(36:5) 13C0 [+H] 766.574517 PC-pmg(36:5) 13C1 [+H] 767.577872 PC-pmg(38:3) 13C0 [+H] 798.637117 PC-pmg(38:4) 13C0 [+H] 796.621467 PC-pmg(38:4) 13C1 [+H] 797.624822 PC-pmg(38:4) 13C2 [+H] 798.628177 PC-pmg(38:5) 13C0 [+H] 794.605817 PC-pmg(38:5) 13C0 [+Na] 816.587759 PC-pmg(38:5) 13C1 [+H] 795.609172 PC-pmg(38:5) 13C2 [+H] 796.612527 PC-pmg(38:6) 13C0 [+H] 792.590167 PC-pmg(38:6) 13C1 [+H] 793.593522 PC-pmg(40:4) 13C0 [+H] 824.652767 PC-pmg(40:4) 13C1 [+H] 825.656122 PC-pmg(40:5) 13C0 [+H] 822.637117 PC-pmg(40:5) 13C1 [+H] 823.640472 PC-pmg(40:6) 13C0 [+H] 820.621467 PC-pmg(40:6) 13C1 [+H] 821.624822 PC-pmg(40:7) 13C0 [+H] 818.605817 PC-pmg(40:7) 13C1 [+H] 819.609172 PC-pmg(42:1) 13C0 [+H] 858.731017 PC-pmg(42:4) 13C0 [+H] 852.684067 PC-pmg(42:5) 13C0 [+H] 850.668417 PC-pmg(42:5) 13C1 [+H] 851.671772 PC-pmg(42:6) 13C0 [+H] 848.652767 PC-pmg(42:6) 13C1 [+H] 849.656122 PC-pmg(44:1) 13C0 [+H] 886.762317 PC-pmg(44:5) 13C0 [+H] 878.699717 PC-pmg(44:5) 13C1 [+H] 879.703072 PC-pmg(44:6) 13C0 [+H] 876.684067 PC-pmg(44:6) 13C1 [+H] 877.687422 PC-pmg(44:7) 13C0 [+H] 874.668417 PE(24:4) 13C0 [+H] 572.334682 PE(26:0) 13C0 [+H] 608.428582 PE(26:2) 13C0 [+H] 604.397282 PE(28:0) 13C0 [+H] 636.459882 PE(30:2) 13C0 [+K] 698.415765 PE(34:0) 13C0 [+H] 720.553782 PE(34:1) 13C0 [+H] 718.538132 PE(34:2) 13C0 [+H] 716.522482 PE(34:9) 13C0 [+H] 702.412932 PE(34:9) 13C1 [+H] 703.416287 PE(36:0) 13C0 [+H] 748.585082 PE(36:1) 13C0 [+H] 746.569432 PE(36:1) 13C1 [+H] 747.572787 PE(36:2) 13C0 [+H] 744.553782 PE(36:2) 13C0 [+NH4] 761.580331 PE(36:2) 13C1 [+H] 745.557137 PE(36:3) 13C0 [+H] 742.538132 PE(36:4) 13C0 [+H] 740.522482 PE(36:6) 13C0 [+K] 774.447065 PE(38:1) 13C0 [+H] 774.600732 PE(38:1) 13C1 [+H] 775.604087 PE(38:2) 13C0 [+H] 772.585082 PE(38:2) 13C1 [+H] 773.588437 PE(38:2) 13C2 [+H] 774.591792 PE(38:2) 13C3 [+H] 775.595147 PE(38:3) 13C0 [+H] 770.569432 PE(38:3) 13C1 [+H] 771.572787 PE(38:4) 13C0 [+H] 768.553782 PE(38:4) 13C1 [+H] 769.557137 PE(38:5) 13C0 [+H] 766.538132 PE(38:6) 13C0 [+H] 764.522482 PE(40:2) 13C0 [+H] 800.616382 PE(40:3) 13C0 [+H] 798.600732 PE(40:3) 13C1 [+H] 799.604087 PE(40:4) 13C0 [+H] 796.585082 PE(40:4) 13C1 [+H] 797.588437 PE(40:6) 13C0 [+H] 792.553782 PE(42:6) 13C0 [+H] 820.585082 PE-pmg(26:0) 13C0 [+H] 592.433667 PE-pmg(26:1) 13C0 [+Na] 612.399959 PE-pmg(26:4) 13C0 [+NH4] 601.397616 PE-pmg(28:3) 13C0 [+H] 614.418017 PE-pmg(34:9) 13C0 [+H] 686.418017 PE-pmg(34:9) 13C1 [+H] 687.421372 PE-pmg(36:4) 13C0 [+H] 724.527567 PE-pmg(36:4) 13C0 [+K] 762.48345 PE-pmg(36:4) 13C0 [+NH4] 741.554116 PE-pmg(36:4) 13C1 [+H] 725.530922 PE-pmg(36:4) 13C1 [+NH4] 742.557471 PE-pmg(36:6) 13C0 [+K] 758.45215 PE-pmg(36:9) 13C0 [+H] 714.449317 PE-pmg(38:4) 13C0 [+H] 752.558867 PE-pmg(38:4) 13C0 [+K] 790.51475 PE-pmg(38:4) 13C0 [+NH4] 769.585416 PE-pmg(38:4) 13C1 [+H] 753.562222 PE-pmg(38:4) 13C1 [+NH4] 770.588771 PE-pmg(38:5) 13C0 [+H] 750.543217 PE-pmg(38:5) 13C0 [+K] 788.4991 PE-pmg(38:5) 13C1 [+H] 751.546572 PE-pmg(38:5) 13C1 [+K] 789.502455 PE-pmg(40:4) 13C0 [+H] 780.590167 PE-pmg(40:6) 13C0 [+H] 776.558867 PE-pmg(40:7) 13C0 [+Na] 796.525159 PE-pmg(42:7) 13C0 [+Na] 824.556459 PE-pmg(44:0) 13C0 [+H] 844.715367 PE-pmg(44:8) 13C0 [+H] 828.590167 PE-pmg(44:8) 13C1 [+H] 829.593522 PG(24:2) 13C0 [+H] 607.360563 PG(26:0) 13C0 [+H] 639.423163 PG(28:0) 13C0 [+H] 667.454463 PG(28:0) 13C1 [+H] 668.457818 PG(28:3) 13C0 [+H] 661.407513 PG(30:0) 13C0 [+H] 695.485763 PG(30:0) 13C1 [+H] 696.489118 PG(32:0) 13C0 [+H] 723.517063 PGA2 13C0 [+H] 335.221686 PGD2 13C0 [+H] 353.232251 PGE1 13C0 [+NH4] 372.27445 PGE1 13C1 [+NH4] 373.277805 PGG2 13C0 [+NH4] 386.253715 PI(44:4) 13C0 [+H] 971.658308 PI(44:4) 13C1 [+H] 972.661663 PIP(47:3) 13C0 [+H] 1095.68723 PIP(47:3) 13C1 [+H] 1096.690585 PIP(47:3) 13C2 [+H] 1097.69394 Polydimethylsiloxane(C10H30O5Si5) 13C0 [+H] 371.101231 Polydimethylsiloxane(C10H30O5Si5) 13C0 [+Na] 393.083173 Polydimethylsiloxane(C10H30O5Si5) 13C0 [+NH4] 388.12778 Polydimethylsiloxane(C10H30O5Si5) 13C1 [+H] 372.104586 Polydimethylsiloxane(C10H30O5Si5) 13C1 [+NH4] 389.131135 Polydimethylsiloxane(C12H36O6Si6) 13C0 [+H] 445.120022 Polydimethylsiloxane(C12H36O6Si6) 13C0 [+Na] 467.101964 Polydimethylsiloxane(C12H36O6Si6) 13C0 [+NH4] 462.146571 Polydimethylsiloxane(C12H36O6Si6) 13C1 [+H] 446.123377 Polydimethylsiloxane(C12H36O6Si6) 13C1 [+NH4] 463.149926 Polydimethylsiloxane(C14H42O7Si7) 13C0 [+NH4] 536.165362 Polydimethylsiloxane(C14H42O7Si7) 13C1 [+NH4] 537.168717 Polydimethylsiloxane(C16H48O8Si8) 13C0 [+K] 631.113487 Polydimethylsiloxane(C16H48O8Si8) 13C0 [+NH4] 610.184153 Polydimethylsiloxane(C16H48O8Si8) 13C1 [+NH4] 611.187508 Polydimethylsiloxane(C18H54O9Si9) 13C0 [+NH4] 684.202944 Polydimethylsiloxane(C18H54O9Si9) 13C1 [+NH4] 685.206299 Polydimethylsiloxane(C20H60O10Si10) 13C0 [+NH4] 758.221735 Polydimethylsiloxane(C20H60O10Si10) 13C1 [+NH4] 759.22509 Polydimethylsiloxane(C22H66O11Si11) 13C0 [+NH4] 832.240526 Polydimethylsiloxane(C24H72O12Si12) 13C0 [+NH4] 906.259317 Polydimethylsiloxane(C26H78O13Si13) 13C0 [+NH4] 980.278108 Polydimethylsiloxane(C28H84O14Si14) 13C0 [+NH4] 1054.296899 Polydimethylsiloxane(C30H90O15Si15) 13C0 [+NH4] 1128.31569 Polydimethylsiloxane(C32H96O16Si16) 13C0 [+NH4] 1202.334481 Polydimethylsiloxane(C34H102O17Si17) 13C0 [+NH4] 1276.353272 Polydimethylsiloxane(C36H108O18Si18) 13C0 [+NH4] 1350.372063 Polydimethylsiloxane(C38H114O19Si19) 13C0 [+NH4] 1424.390854 Polydimethylsiloxane(C40H120O20Si20) 13C0 [+NH4] 1498.409645 Polydimethylsiloxane(C42H126O21Si21) 13C0 [+NH4] 1572.428436 PS(24:0) 13C0 [+H] 624.387112 PS(26:0) 13C0 [+H] 652.418412 PS(26:0) 13C1 [+H] 653.421767 PS(36:1) 13C0 [+H] 790.559262 PS-pmg(24:1) 13C0 [+H] 608.392197 PS-pmg(26:1) 13C0 [+H] 636.423497 PS-pmg(26:1) 13C1 [+H] 637.426852 PS-pmg(30:2) 13C0 [+H] 690.470447 PS-pmg(30:4) 13C0 [+H] 686.439147 PS-pmg(30:4) 13C1 [+H] 687.442502 SM(30:2) 13C0 [+Na] 667.478543 SM(32:1) 13C0 [+H] 675.543551 SM(32:1) 13C1 [+H] 676.546906 SM(34:0) 13C0 [+H] 705.590501 SM(34:0) 13C1 [+H] 706.593856 SM(34:1) 13C0 [+H] 703.574851 SM(34:1) 13C0 [+Na] 725.556793 SM(34:1) 13C1 [+H] 704.578206 SM(34:1) 13C1 [+Na] 726.560148 SM(34:1) 13C2 [+H] 705.581561 SM(34:2) 13C0 [+H] 701.559201 SM(34:2) 13C1 [+H] 702.562556 SM(36:1) 13C0 [+H] 731.606151 SM(36:1) 13C0 [+Na] 753.588093 SM(36:1) 13C1 [+H] 732.609506 SM(36:1) 13C2 [+H] 733.612861 SM(36:2) 13C0 [+H] 729.590501 SM(36:2) 13C1 [+H] 730.593856 SM(36:3) 13C0 [+H] 727.574851 SM(38:1) 13C0 [+H] 759.637451 SM(38:1) 13C1 [+H] 760.640806 SM(38:1) 13C2 [+H] 761.644161 SM(38:2) 13C0 [+H] 757.621801 SM(38:2) 13C1 [+H] 758.625156 SM(40:1) 13C0 [+H] 787.668751 SM(40:1) 13C0 [+Na] 809.650693 SM(40:1) 13C1 [+H] 788.672106 SM(40:1) 13C2 [+H] 789.675461 SM(40:2) 13C0 [+H] 785.653101 SM(40:2) 13C0 [+Na] 807.635043 SM(40:2) 13C1 [+H] 786.656456 SM(40:2) 13C2 [+H] 787.659811 SM(40:3) 13C0 [+H] 783.637451 SM(40:3) 13C1 [+H] 784.640806 SM(42:1) 13C0 [+H] 815.700051 SM(42:1) 13C1 [+H] 816.703406 SM(42:1) 13C2 [+H] 817.706761 SM(42:2) 13C0 [+H] 813.684401 SM(42:2) 13C0 [+Na] 835.666343 SM(42:2) 13C1 [+H] 814.687756 SM(42:2) 13C1 [+Na] 836.669698 SM(42:2) 13C2 [+H] 815.691111 SM(42:3) 13C0 [+H] 811.668751 SM(42:3) 13C0 [+Na] 833.650693 SM(42:3) 13C1 [+H] 812.672106 SM(42:3) 13C2 [+H] 813.675461 Sphingosine 13C0 [+K] 338.245588 Sphingosine 13C0 [+Na] 322.271647 Sulfatide(32:2) 13C0 [+NH4] 767.508609 Sulfatide(36:2) 13C0 [+Na] 828.526602 TAG(44:0) 13C0 [+Na] 773.662958 TAG(44:0) 13C0 [+NH4] 768.707565 TAG(44:0) 13C1 [+Na] 774.666313 TAG(44:0) 13C1 [+NH4] 769.71092 TAG(44:0) 13C2 [+NH4] 770.714275 TAG(44:1) 13C0 [+Na] 771.647308 TAG(44:1) 13C0 [+NH4] 766.691915 TAG(44:1) 13C1 [+Na] 772.650663 TAG(44:1) 13C1 [+NH4] 767.69527 TAG(44:1) 13C2 [+NH4] 768.698625 TAG(44:2) 13C0 [+Na] 769.631658 TAG(44:2) 13C0 [+NH4] 764.676265 TAG(44:2) 13C1 [+NH4] 765.67962 TAG(44:2) 13C2 [+NH4] 766.682975 TAG(44:3) 13C0 [+NH4] 762.660615 TAG(44:3) 13C1 [+NH4] 763.66397 TAG(46:0) 13C0 [+Na] 801.694258 TAG(46:0) 13C0 [+NH4] 796.738865 TAG(46:0) 13C1 [+Na] 802.697613 TAG(46:0) 13C1 [+NH4] 797.74222 TAG(46:0) 13C2 [+NH4] 798.745575 TAG(46:1) 13C0 [+Na] 799.678608 TAG(46:1) 13C0 [+NH4] 794.723215 TAG(46:1) 13C1 [+Na] 800.681963 TAG(46:1) 13C1 [+NH4] 795.72657 TAG(46:1) 13C2 [+Na] 801.685318 TAG(46:1) 13C2 [+NH4] 796.729925 TAG(46:2) 13C0 [+Na] 797.662958 TAG(46:2) 13C0 [+NH4] 792.707565 TAG(46:2) 13C1 [+Na] 798.666313 TAG(46:2) 13C1 [+NH4] 793.71092 TAG(46:2) 13C2 [+Na] 799.669668 TAG(46:2) 13C2 [+NH4] 794.714275 TAG(46:3) 13C0 [+Na] 795.647308 TAG(46:3) 13C0 [+NH4] 790.691915 TAG(46:3) 13C1 [+Na] 796.650663 TAG(46:3) 13C1 [+NH4] 791.69527 TAG(46:4) 13C0 [+NH4] 788.676265 TAG(46:4) 13C1 [+NH4] 789.67962 TAG(48:0) 13C0 [+K] 845.699499 TAG(48:0) 13C0 [+Na] 829.725558 TAG(48:0) 13C0 [+NH4] 824.770165 TAG(48:0) 13C1 [+K] 846.702854 TAG(48:0) 13C1 [+Na] 830.728913 TAG(48:0) 13C1 [+NH4] 825.77352 TAG(48:0) 13C2 [+NH4] 826.776875 TAG(48:1) 13C0 [+K] 843.683849 TAG(48:1) 13C0 [+Na] 827.709908 TAG(48:1) 13C0 [+NH4] 822.754515 TAG(48:1) 13C1 [+K] 844.687204 TAG(48:1) 13C1 [+Na] 828.713263 TAG(48:1) 13C1 [+NH4] 823.75787 TAG(48:1) 13C2 [+Na] 829.716618 TAG(48:1) 13C2 [+NH4] 824.761225 TAG(48:1) 13C3 [+NH4] 825.76458 TAG(48:2) 13C0 [+K] 841.668199 TAG(48:2) 13C0 [+Na] 825.694258 TAG(48:2) 13C0 [+NH4] 820.738865 TAG(48:2) 13C1 [+K] 842.671554 TAG(48:2) 13C1 [+Na] 826.697613 TAG(48:2) 13C1 [+NH4] 821.74222 TAG(48:2) 13C2 [+Na] 827.700968 TAG(48:2) 13C2 [+NH4] 822.745575 TAG(48:3) 13C0 [+K] 839.652549 TAG(48:3) 13C0 [+Na] 823.678608 TAG(48:3) 13C0 [+NH4] 818.723215 TAG(48:3) 13C1 [+K] 840.655904 TAG(48:3) 13C1 [+Na] 824.681963 TAG(48:3) 13C1 [+NH4] 819.72657 TAG(48:3) 13C2 [+NH4] 820.729925 TAG(48:4) 13C0 [+K] 837.636899 TAG(48:4) 13C0 [+Na] 821.662958 TAG(48:4) 13C0 [+NH4] 816.707565 TAG(48:4) 13C1 [+Na] 822.666313 TAG(48:4) 13C1 [+NH4] 817.71092 TAG(48:4) 13C2 [+NH4] 818.714275 TAG(48:5) 13C0 [+NH4] 814.691915 TAG(48:5) 13C1 [+NH4] 815.69527 TAG(49:0) 13C0 [+NH4] 838.785815 TAG(49:0) 13C1 [+NH4] 839.78917 TAG(49:1) 13C0 [+Na] 841.725558 TAG(49:1) 13C0 [+NH4] 836.770165 TAG(49:1) 13C1 [+Na] 842.728913 TAG(49:1) 13C1 [+NH4] 837.77352 TAG(49:1) 13C2 [+NH4] 838.776875 TAG(49:2) 13C0 [+Na] 839.709908 TAG(49:2) 13C0 [+NH4] 834.754515 TAG(49:2) 13C1 [+NH4] 835.75787 TAG(49:2) 13C2 [+NH4] 836.761225 TAG(49:3) 13C0 [+NH4] 832.738865 TAG(49:3) 13C1 [+NH4] 833.74222 TAG(50:0) 13C0 [+K] 873.730799 TAG(50:0) 13C0 [+Na] 857.756858 TAG(50:0) 13C0 [+NH4] 852.801465 TAG(50:0) 13C1 [+Na] 858.760213 TAG(50:0) 13C1 [+NH4] 853.80482 TAG(50:0) 13C2 [+NH4] 854.808175 TAG(50:1) 13C0 [+K] 871.715149 TAG(50:1) 13C0 [+Na] 855.741208 TAG(50:1) 13C0 [+NH4] 850.785815 TAG(50:1) 13C1 [+K] 872.718504 TAG(50:1) 13C1 [+Na] 856.744563 TAG(50:1) 13C1 [+NH4] 851.78917 TAG(50:1) 13C2 [+K] 873.721859 TAG(50:1) 13C2 [+Na] 857.747918 TAG(50:1) 13C2 [+NH4] 852.792525 TAG(50:1) 13C3 [+NH4] 853.79588 TAG(50:2) 13C0 [+K] 869.699499 TAG(50:2) 13C0 [+Na] 853.725558 TAG(50:2) 13C0 [+NH4] 848.770165 TAG(50:2) 13C1 [+K] 870.702854 TAG(50:2) 13C1 [+Na] 854.728913 TAG(50:2) 13C1 [+NH4] 849.77352 TAG(50:2) 13C2 [+K] 871.706209 TAG(50:2) 13C2 [+Na] 855.732268 TAG(50:2) 13C2 [+NH4] 850.776875 TAG(50:2) 13C3 [+NH4] 851.78023 TAG(50:3) 13C0 [+K] 867.683849 TAG(50:3) 13C0 [+Na] 851.709908 TAG(50:3) 13C0 [+NH4] 846.754515 TAG(50:3) 13C1 [+K] 868.687204 TAG(50:3) 13C1 [+Na] 852.713263 TAG(50:3) 13C1 [+NH4] 847.75787 TAG(50:3) 13C2 [+K] 869.690559 TAG(50:3) 13C2 [+Na] 853.716618 TAG(50:3) 13C2 [+NH4] 848.761225 TAG(50:4) 13C0 [+K] 865.668199 TAG(50:4) 13C0 [+Na] 849.694258 TAG(50:4) 13C0 [+NH4] 844.738865 TAG(50:4) 13C1 [+K] 866.671554 TAG(50:4) 13C1 [+Na] 850.697613 TAG(50:4) 13C1 [+NH4] 845.74222 TAG(50:4) 13C2 [+NH4] 846.745575 TAG(50:5) 13C0 [+Na] 847.678608 TAG(50:5) 13C0 [+NH4] 842.723215 TAG(50:5) 13C1 [+NH4] 843.72657 TAG(50:6) 13C0 [+NH4] 840.707565 TAG(50:6) 13C1 [+NH4] 841.71092 TAG(51:0) 13C0 [+NH4] 866.817115 TAG(51:0) 13C1 [+NH4] 867.82047 TAG(51:1) 13C0 [+Na] 869.756858 TAG(51:1) 13C0 [+NH4] 864.801465 TAG(51:1) 13C1 [+NH4] 865.80482 TAG(51:1) 13C2 [+NH4] 866.808175 TAG(51:2) 13C0 [+K] 883.715149 TAG(51:2) 13C0 [+Na] 867.741208 TAG(51:2) 13C0 [+NH4] 862.785815 TAG(51:2) 13C1 [+Na] 868.744563 TAG(51:2) 13C1 [+NH4] 863.78917 TAG(51:2) 13C2 [+NH4] 864.792525 TAG(51:3) 13C0 [+Na] 865.725558 TAG(51:3) 13C0 [+NH4] 860.770165 TAG(51:3) 13C1 [+NH4] 861.77352 TAG(51:3) 13C2 [+NH4] 862.776875 TAG(51:4) 13C0 [+NH4] 858.754515 TAG(51:4) 13C1 [+NH4] 859.75787 TAG(52:0) 13C0 [+Na] 885.788158 TAG(52:0) 13C0 [+NH4] 880.832765 TAG(52:0) 13C1 [+Na] 886.791513 TAG(52:0) 13C1 [+NH4] 881.83612 TAG(52:0) 13C2 [+NH4] 882.839475 TAG(52:1) 13C0 [+K] 899.746449 TAG(52:1) 13C0 [+Na] 883.772508 TAG(52:1) 13C0 [+NH4] 878.817115 TAG(52:1) 13C1 [+K] 900.749804 TAG(52:1) 13C1 [+Na] 884.775863 TAG(52:1) 13C1 [+NH4] 879.82047 TAG(52:1) 13C2 [+Na] 885.779218 TAG(52:1) 13C2 [+NH4] 880.823825 TAG(52:1) 13C3 [+NH4] 881.82718 TAG(52:12) 13C0 [+K] 877.574299 TAG(52:2) 13C0 [+K] 897.730799 TAG(52:2) 13C0 [+Na] 881.756858 TAG(52:2) 13C0 [+NH4] 876.801465 TAG(52:2) 13C1 [+K] 898.734154 TAG(52:2) 13C1 [+Na] 882.760213 TAG(52:2) 13C1 [+NH4] 877.80482 TAG(52:2) 13C2 [+K] 899.737509 TAG(52:2) 13C2 [+Na] 883.763568 TAG(52:2) 13C2 [+NH4] 878.808175 TAG(52:2) 13C3 [+K] 900.740864 TAG(52:2) 13C3 [+NH4] 879.81153 TAG(52:3) 13C0 [+K] 895.715149 TAG(52:3) 13C0 [+Na] 879.741208 TAG(52:3) 13C0 [+NH4] 874.785815 TAG(52:3) 13C1 [+K] 896.718504 TAG(52:3) 13C1 [+Na] 880.744563 TAG(52:3) 13C1 [+NH4] 875.78917 TAG(52:3) 13C2 [+K] 897.721859 TAG(52:3) 13C2 [+Na] 881.747918 TAG(52:3) 13C2 [+NH4] 876.792525 TAG(52:3) 13C3 [+K] 898.725214 TAG(52:3) 13C3 [+Na] 882.751273 TAG(52:3) 13C3 [+NH4] 877.79588 TAG(52:4) 13C0 [+K] 893.699499 TAG(52:4) 13C0 [+Na] 877.725558 TAG(52:4) 13C0 [+NH4] 872.770165 TAG(52:4) 13C1 [+K] 894.702854 TAG(52:4) 13C1 [+Na] 878.728913 TAG(52:4) 13C1 [+NH4] 873.77352 TAG(52:4) 13C2 [+K] 895.706209 TAG(52:4) 13C2 [+Na] 879.732268 TAG(52:4) 13C2 [+NH4] 874.776875 TAG(52:5) 13C0 [+K] 891.683849 TAG(52:5) 13C0 [+Na] 875.709908 TAG(52:5) 13C0 [+NH4] 870.754515 TAG(52:5) 13C1 [+K] 892.687204 TAG(52:5) 13C1 [+Na] 876.713263 TAG(52:5) 13C1 [+NH4] 871.75787 TAG(52:6) 13C0 [+Na] 873.694258 TAG(52:6) 13C0 [+NH4] 868.738865 TAG(52:6) 13C1 [+Na] 874.697613 TAG(52:6) 13C1 [+NH4] 869.74222 TAG(52:7) 13C0 [+NH4] 866.723215 TAG(52:7) 13C1 [+NH4] 867.72657 TAG(53:0) 13C0 [+NH4] 894.848415 TAG(53:0) 13C1 [+NH4] 895.85177 TAG(53:1) 13C0 [+NH4] 892.832765 TAG(53:1) 13C1 [+NH4] 893.83612 TAG(53:2) 13C0 [+Na] 895.772508 TAG(53:2) 13C0 [+NH4] 890.817115 TAG(53:2) 13C1 [+NH4] 891.82047 TAG(53:2) 13C2 [+NH4] 892.823825 TAG(53:3) 13C0 [+Na] 893.756858 TAG(53:3) 13C0 [+NH4] 888.801465 TAG(53:3) 13C1 [+NH4] 889.80482 TAG(53:3) 13C2 [+NH4] 890.808175 TAG(53:4) 13C0 [+Na] 891.741208 TAG(53:4) 13C0 [+NH4] 886.785815 TAG(53:4) 13C1 [+NH4] 887.78917 TAG(53:4) 13C2 [+NH4] 888.792525 TAG(53:5) 13C0 [+NH4] 884.770165 TAG(53:5) 13C1 [+NH4] 885.77352 TAG(54:0) 13C0 [+Na] 913.819458 TAG(54:0) 13C0 [+NH4] 908.864065 TAG(54:0) 13C1 [+NH4] 909.86742 TAG(54:1) 13C0 [+K] 927.777749 TAG(54:1) 13C0 [+Na] 911.803808 TAG(54:1) 13C0 [+NH4] 906.848415 TAG(54:1) 13C1 [+Na] 912.807163 TAG(54:1) 13C1 [+NH4] 907.85177 TAG(54:1) 13C2 [+NH4] 908.855125 TAG(54:2) 13C0 [+K] 925.762099 TAG(54:2) 13C0 [+Na] 909.788158 TAG(54:2) 13C0 [+NH4] 904.832765 TAG(54:2) 13C1 [+K] 926.765454 TAG(54:2) 13C1 [+Na] 910.791513 TAG(54:2) 13C1 [+NH4] 905.83612 TAG(54:2) 13C2 [+Na] 911.794868 TAG(54:2) 13C2 [+NH4] 906.839475 TAG(54:2) 13C3 [+NH4] 907.84283 TAG(54:3) 13C0 [+K] 923.746449 TAG(54:3) 13C0 [+Na] 907.772508 TAG(54:3) 13C0 [+NH4] 902.817115 TAG(54:3) 13C1 [+K] 924.749804 TAG(54:3) 13C1 [+Na] 908.775863 TAG(54:3) 13C1 [+NH4] 903.82047 TAG(54:3) 13C2 [+K] 925.753159 TAG(54:3) 13C2 [+Na] 909.779218 TAG(54:3) 13C2 [+NH4] 904.823825 TAG(54:3) 13C3 [+NH4] 905.82718 TAG(54:4) 13C0 [+K] 921.730799 TAG(54:4) 13C0 [+Na] 905.756858 TAG(54:4) 13C0 [+NH4] 900.801465 TAG(54:4) 13C1 [+K] 922.734154 TAG(54:4) 13C1 [+Na] 906.760213 TAG(54:4) 13C1 [+NH4] 901.80482 TAG(54:4) 13C2 [+K] 923.737509 TAG(54:4) 13C2 [+Na] 907.763568 TAG(54:4) 13C2 [+NH4] 902.808175 TAG(54:4) 13C3 [+NH4] 903.81153 TAG(54:5) 13C0 [+K] 919.715149 TAG(54:5) 13C0 [+Na] 903.741208 TAG(54:5) 13C0 [+NH4] 898.785815 TAG(54:5) 13C1 [+K] 920.718504 TAG(54:5) 13C1 [+Na] 904.744563 TAG(54:5) 13C1 [+NH4] 899.78917 TAG(54:5) 13C2 [+K] 921.721859 TAG(54:5) 13C2 [+Na] 905.747918 TAG(54:5) 13C2 [+NH4] 900.792525 TAG(54:5) 13C3 [+Na] 906.751273 TAG(54:6) 13C0 [+K] 917.699499 TAG(54:6) 13C0 [+Na] 901.725558 TAG(54:6) 13C0 [+NH4] 896.770165 TAG(54:6) 13C1 [+K] 918.702854 TAG(54:6) 13C1 [+Na] 902.728913 TAG(54:6) 13C1 [+NH4] 897.77352 TAG(54:6) 13C2 [+K] 919.706209 TAG(54:6) 13C2 [+Na] 903.732268 TAG(54:6) 13C2 [+NH4] 898.776875 TAG(54:6) 13C3 [+Na] 904.735623 TAG(54:7) 13C0 [+K] 915.683849 TAG(54:7) 13C0 [+Na] 899.709908 TAG(54:7) 13C0 [+NH4] 894.754515 TAG(54:7) 13C1 [+K] 916.687204 TAG(54:7) 13C1 [+Na] 900.713263 TAG(54:7) 13C1 [+NH4] 895.75787 TAG(54:7) 13C2 [+NH4] 896.761225 TAG(54:8) 13C0 [+K] 913.668199 TAG(54:8) 13C0 [+Na] 897.694258 TAG(54:8) 13C0 [+NH4] 892.738865 TAG(54:8) 13C1 [+Na] 898.697613 TAG(54:8) 13C1 [+NH4] 893.74222 TAG(54:9) 13C0 [+NH4] 890.723215 TAG(54:9) 13C1 [+NH4] 891.72657 TAG(55:0) 13C0 [+NH4] 922.879715 TAG(55:0) 13C1 [+NH4] 923.88307 TAG(55:2) 13C0 [+NH4] 918.848415 TAG(55:2) 13C1 [+NH4] 919.85177 TAG(55:3) 13C0 [+NH4] 916.832765 TAG(55:3) 13C1 [+NH4] 917.83612 TAG(55:4) 13C0 [+NH4] 914.817115 TAG(55:4) 13C1 [+NH4] 915.82047 TAG(55:5) 13C0 [+NH4] 912.801465 TAG(55:5) 13C1 [+NH4] 913.80482 TAG(55:6) 13C0 [+NH4] 910.785815 TAG(55:6) 13C1 [+NH4] 911.78917 TAG(56:0) 13C0 [+NH4] 936.895365 TAG(56:0) 13C1 [+NH4] 937.89872 TAG(56:10) 13C0 [+NH4] 916.738865 TAG(56:1) 13C0 [+Na] 939.835108 TAG(56:1) 13C0 [+NH4] 934.879715 TAG(56:1) 13C1 [+NH4] 935.88307 TAG(56:2) 13C0 [+Na] 937.819458 TAG(56:2) 13C0 [+NH4] 932.864065 TAG(56:2) 13C1 [+Na] 938.822813 TAG(56:2) 13C1 [+NH4] 933.86742 TAG(56:2) 13C2 [+NH4] 934.870775 TAG(56:3) 13C0 [+Na] 935.803808 TAG(56:3) 13C0 [+NH4] 930.848415 TAG(56:3) 13C1 [+Na] 936.807163 TAG(56:3) 13C1 [+NH4] 931.85177 TAG(56:3) 13C2 [+NH4] 932.855125 TAG(56:4) 13C0 [+Na] 933.788158 TAG(56:4) 13C0 [+NH4] 928.832765 TAG(56:4) 13C1 [+Na] 934.791513 TAG(56:4) 13C1 [+NH4] 929.83612 TAG(56:4) 13C2 [+NH4] 930.839475 TAG(56:5) 13C0 [+K] 947.746449 TAG(56:5) 13C0 [+Na] 931.772508 TAG(56:5) 13C0 [+NH4] 926.817115 TAG(56:5) 13C1 [+Na] 932.775863 TAG(56:5) 13C1 [+NH4] 927.82047 TAG(56:5) 13C2 [+NH4] 928.823825 TAG(56:6) 13C0 [+K] 945.730799 TAG(56:6) 13C0 [+Na] 929.756858 TAG(56:6) 13C0 [+NH4] 924.801465 TAG(56:6) 13C1 [+K] 946.734154 TAG(56:6) 13C1 [+Na] 930.760213 TAG(56:6) 13C1 [+NH4] 925.80482 TAG(56:6) 13C2 [+Na] 931.763568 TAG(56:6) 13C2 [+NH4] 926.808175 TAG(56:6) 13C3 [+NH4] 927.81153 TAG(56:7) 13C0 [+K] 943.715149 TAG(56:7) 13C0 [+Na] 927.741208 TAG(56:7) 13C0 [+NH4] 922.785815 TAG(56:7) 13C1 [+K] 944.718504 TAG(56:7) 13C1 [+Na] 928.744563 TAG(56:7) 13C1 [+NH4] 923.78917 TAG(56:7) 13C2 [+Na] 929.747918 TAG(56:7) 13C2 [+NH4] 924.792525 TAG(56:7) 13C3 [+NH4] 925.79588 TAG(56:8) 13C0 [+K] 941.699499 TAG(56:8) 13C0 [+Na] 925.725558 TAG(56:8) 13C0 [+NH4] 920.770165 TAG(56:8) 13C1 [+Na] 926.728913 TAG(56:8) 13C1 [+NH4] 921.77352 TAG(56:8) 13C2 [+NH4] 922.776875 TAG(56:9) 13C0 [+Na] 923.709908 TAG(56:9) 13C0 [+NH4] 918.754515 TAG(56:9) 13C1 [+NH4] 919.75787 TAG(57:0) 13C0 [+NH4] 950.911015 TAG(57:2) 13C0 [+NH4] 946.879715 TAG(57:2) 13C1 [+NH4] 947.88307 TAG(57:3) 13C0 [+NH4] 944.864065 TAG(57:3) 13C1 [+NH4] 945.86742 TAG(57:4) 13C0 [+NH4] 942.848415 TAG(57:7) 13C0 [+NH4] 936.801465 TAG(58:10) 13C0 [+NH4] 944.770165 TAG(58:10) 13C1 [+NH4] 945.77352 TAG(58:11) 13C0 [+NH4] 942.754515 TAG(58:11) 13C1 [+NH4] 943.75787 TAG(58:1) 13C0 [+NH4] 962.911015 TAG(58:1) 13C1 [+NH4] 963.91437 TAG(58:2) 13C0 [+Na] 965.850758 TAG(58:2) 13C0 [+NH4] 960.895365 TAG(58:2) 13C1 [+Na] 966.854113 TAG(58:2) 13C1 [+NH4] 961.89872 TAG(58:2) 13C2 [+NH4] 962.902075 TAG(58:2) 13C3 [+NH4] 963.90543 TAG(58:3) 13C0 [+Na] 963.835108 TAG(58:3) 13C0 [+NH4] 958.879715 TAG(58:3) 13C1 [+Na] 964.838463 TAG(58:3) 13C1 [+NH4] 959.88307 TAG(58:3) 13C2 [+NH4] 960.886425 TAG(58:4) 13C0 [+NH4] 956.864065 TAG(58:4) 13C1 [+NH4] 957.86742 TAG(58:5) 13C0 [+NH4] 954.848415 TAG(58:5) 13C1 [+NH4] 955.85177 TAG(58:6) 13C0 [+NH4] 952.832765 TAG(58:6) 13C1 [+NH4] 953.83612 TAG(58:7) 13C0 [+Na] 955.772508 TAG(58:7) 13C0 [+NH4] 950.817115 TAG(58:7) 13C1 [+NH4] 951.82047 TAG(58:7) 13C2 [+NH4] 952.823825 TAG(58:8) 13C0 [+Na] 953.756858 TAG(58:8) 13C0 [+NH4] 948.801465 TAG(58:8) 13C1 [+Na] 954.760213 TAG(58:8) 13C1 [+NH4] 949.80482 TAG(58:8) 13C2 [+NH4] 950.808175 TAG(58:9) 13C0 [+Na] 951.741208 TAG(58:9) 13C0 [+NH4] 946.785815 TAG(58:9) 13C1 [+NH4] 947.78917 TAG(58:9) 13C2 [+NH4] 948.792525 TAG(60:10) 13C0 [+NH4] 972.801465 TAG(60:11) 13C0 [+NH4] 970.785815 TAG(60:1) 13C0 [+NH4] 990.942315 TAG(60:2) 13C0 [+Na] 993.882058 TAG(60:2) 13C0 [+NH4] 988.926665 TAG(60:2) 13C1 [+NH4] 989.93002 TAG(60:2) 13C2 [+NH4] 990.933375 TAG(60:3) 13C0 [+NH4] 986.911015 TAG(60:3) 13C1 [+NH4] 987.91437 TAG(60:4) 13C0 [+NH4] 984.895365 TAG(60:4) 13C1 [+NH4] 985.89872 TAG(60:5) 13C0 [+NH4] 982.879715 TAG(60:6) 13C0 [+NH4] 980.864065 TAG(60:7) 13C0 [+NH4] 978.848415 TAG(61:0) 13C0 [+Na] 1011.929008 TAG(61:16) 13C0 [+NH4] 974.723215 TAG(61:16) 13C1 [+NH4] 975.72657 TAG(63:16) 13C0 [+NH4] 1002.754515 TAG(64:7) 13C0 [+NH4] 1034.911015 TAG(64:7) 13C1 [+NH4] 1035.91437 TAG(65:0) 13C0 [+Na] 1067.991608 TAG(65:18) 13C0 [+H] 1009.727966 TAG(65:2) 13C0 [+NH4] 1059.004915 TAG(65:3) 13C0 [+NH4] 1056.989265 TH-12-keto-LTB4 13C0 [+Na] 361.234928 TH-12-keto-LTB4 13C0 [+NH4] 356.279535 METABOLITES_END #END