#METABOLOMICS WORKBENCH carlo_g_20190625_210049_mwtab.txt DATATRACK_ID:1747 STUDY_ID:ST001204 ANALYSIS_ID:AN002004 PROJECT_ID:PR000811 VERSION 1 CREATED_ON June 28, 2019, 9:22 pm #PROJECT PR:PROJECT_TITLE System-wide biochemical analysis reveals ozonide and artemisinin antimalarials PR:PROJECT_TITLE initially act by disrupting malaria parasite haemoglobin digestion PR:PROJECT_SUMMARY Artemisinins are currently the first-line antimalarials, and rely on a peroxide PR:PROJECT_SUMMARY pharmacophore for their potent activity. OZ277 (arterolane) and OZ439 PR:PROJECT_SUMMARY (artefenomel) are newer synthetic peroxide-based antimalarials with potent PR:PROJECT_SUMMARY activity against the deadliest malaria parasite, Plasmodium falciparum. Here we PR:PROJECT_SUMMARY used a “multi-omics” workflow, in combination with activity-based protein PR:PROJECT_SUMMARY profiling (ABPP), to demonstrate that peroxide antimalarials initially target PR:PROJECT_SUMMARY the haemoglobin (Hb) digestion pathway to kill malaria parasites. Time-dependent PR:PROJECT_SUMMARY metabolomic profiling of peroxide-treated P. falciparum infected red blood cells PR:PROJECT_SUMMARY (iRBCs) revealed a rapid depletion of short Hb-derived peptides, while PR:PROJECT_SUMMARY untargeted peptidomics showed accumulation of longer Hb peptides. Quantitative PR:PROJECT_SUMMARY proteomics and ABPP assays demonstrated that Hb digesting proteases were PR:PROJECT_SUMMARY significantly increased in abundance and activity following treatment, PR:PROJECT_SUMMARY respectively. The association between peroxide activity and Hb catabolism was PR:PROJECT_SUMMARY also confirmed in a K13-mutant artemisinin resistant parasite line. To PR:PROJECT_SUMMARY demonstrate that compromised Hb catabolism may be a primary mechanism involved PR:PROJECT_SUMMARY in peroxide antimalarial activity, we showed that parasites forced to rely PR:PROJECT_SUMMARY solely on Hb digestion for amino acids became hypersensitive to short peroxide PR:PROJECT_SUMMARY exposures. Quantitative proteomics analysis also revealed parasite proteins PR:PROJECT_SUMMARY involved in translation and the ubiquitin-proteasome system were enriched PR:PROJECT_SUMMARY following drug treatment, suggestive of the parasite engaging a stress response PR:PROJECT_SUMMARY to mitigate peroxide-induced damage. Taken together, these data point to a PR:PROJECT_SUMMARY mechanism of action involving initial impairment of Hb catabolism, and indicate PR:PROJECT_SUMMARY that the parasite regulates protein turnover to manage peroxide-induced damage. PR:INSTITUTE Monash University PR:LAST_NAME Giannangelo PR:FIRST_NAME Carlo PR:ADDRESS 381 Royal Parade, Parkville, Victoria, 3052, Australia PR:EMAIL carlo.giannangelo@monash.edu PR:PHONE 99039282 #STUDY ST:STUDY_TITLE Peroxide antimalarial extended treatment timecourse on trophozoite-stage P. ST:STUDY_TITLE falciparum parasites ST:STUDY_SUMMARY Red blood cells (RBCs) infected with trophozoite stage P. falciparum parasites ST:STUDY_SUMMARY (3D7 strain) at 10% parasitaemia and 2% haematocrit were treated with OZ277 (300 ST:STUDY_SUMMARY nM), OZ439 (300 nM), DHA (100 nM) or vehicle (0.03% DMSO). This was a ST:STUDY_SUMMARY 4-timepoint study, with samples taken 0, 3, 6 and 9 h after drug or vehicle ST:STUDY_SUMMARY addition. Samples treated with vehicle acted as the untreated control. Samples ST:STUDY_SUMMARY from drug treated uninfected RBCs were also taken to ensure the observed drug ST:STUDY_SUMMARY effects were parasite specific. ST:INSTITUTE Monash University ST:LAST_NAME Giannangelo ST:FIRST_NAME Carlo ST:ADDRESS 381 Royal Parade, Parkville, Victoria, 3052, Australia ST:EMAIL carlo.giannangelo@monash.edu ST:PHONE 99039282 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Plasmodium falciparum;Homo sapiens SU:TAXONOMY_ID 5833/9606 SU:GENOTYPE_STRAIN 3D7 SU:AGE_OR_AGE_RANGE 28-34 h post invasion #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_6h_B cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_0h_B cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_3h_B cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_0h_B cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_3h_B cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_0h_B cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_9h_B cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_0h_B cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_6h_B cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_9h_B cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_3h_B cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_0h_B cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_unRBC_6h_B cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_3h_B cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_9h_B cell_type:unRBC | treatment:DHA | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_6h_B cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_6h_B cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_9h_B cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_3h_B cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_3h_B cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_6h_B cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_9h_B cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_0h_B cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_0h_B cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_6h_B cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_9h_B cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_3h_B cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_9h_B cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_3h_B cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_0h_B cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_iRBC_6h_B cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_9h_B cell_type:iRBC | treatment:DHA | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_9h_C cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_0h_C cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_3h_C cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_3h_C cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_9h_C cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_3h_C cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_6h_C cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_9h_C cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_3h_C cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_6h_C cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_9h_C cell_type:iRBC | treatment:DHA | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_0h_C cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_unRBC_6h_C cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_9h_C cell_type:unRBC | treatment:DHA | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_0h_C cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_0h_C cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_9h_C cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_6h_C cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_9h_C cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_3h_C cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_6h_C cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_9h_C cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_6h_C cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_6h_C cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_0h_C cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_0h_C cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_iRBC_0h_C cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_6h_C cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_0h_C cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_3h_C cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_3h_C cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_3h_C cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_0h_D cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_unRBC_0h_D cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_0h_D cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_0h_D cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_iRBC_0h_D cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_0h_D cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_0h_D cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_0h_D cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_6h_D cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_3h_D cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_6h_D cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_3h_D cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_6h_D cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_6h_D cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_9h_D cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_9h_D cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_6h_D cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_3h_D cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_3h_D cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_iRBC_9h_D cell_type:iRBC | treatment:DHA | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_9h_D cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_3h_D cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_3h_D cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_9h_D cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_6h_D cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_unRBC_9h_D cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_iRBC_6h_D cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_iRBC_6h_D cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_unRBC_9h_D cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_unRBC_3h_D cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_iRBC_3h_D cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_unRBC_9h_D cell_type:unRBC | treatment:DHA | treatment_duration_(h):9 #COLLECTION CO:COLLECTION_SUMMARY Infected RBCs were adjusted to 10% parasitaemia and 2% haematocrit and the CO:COLLECTION_SUMMARY culture medium refreshed prior to drug addition. Following the drug incubation CO:COLLECTION_SUMMARY period, 1E8 cells were pelleted by centrifugation at 1,000 x g for 3 min and the CO:COLLECTION_SUMMARY culture medium was removed. Parasite metabolism was quenched by the addition of CO:COLLECTION_SUMMARY ice-cold PBS, pelleted again and the supernatant discarded prior to metabolite CO:COLLECTION_SUMMARY extraction. Metabolites were extracted from the cell pellet using 150 µL of CO:COLLECTION_SUMMARY cold methanol. The extraction solvent containing the internal standard compounds CO:COLLECTION_SUMMARY CHAPS (3-[(3-cholamidopropyl)-dimethylammonio]-1-propanesulfonate), CAPS CO:COLLECTION_SUMMARY (3-(cyclohexylamino)-1-propanesulfonic acid), PIPES CO:COLLECTION_SUMMARY (1,4-piperazinediethanesulfonic acid) and TRIS CO:COLLECTION_SUMMARY (2-amino-2-(hydroxymethyl)-1,3-propanediol) was directly added to the cell CO:COLLECTION_SUMMARY pellet, mixed by pipetting and subjected to automatic vortex mixing for 1 h at CO:COLLECTION_SUMMARY 4°C. Following the 1 h incubation, samples were pelleted by centrifugation at CO:COLLECTION_SUMMARY 21,100 x g for 10 min, 110 µL of particle free supernatant was transferred to CO:COLLECTION_SUMMARY glass LC-MS vials and stored at -80°C until analysis. A 15 µL aliquot of each CO:COLLECTION_SUMMARY sample was combined to generate a pooled biological quality control (PBQC) CO:COLLECTION_SUMMARY sample. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY Trophozoite-stage P. falciparum infected RBCs (10% parasitaemia and 2% Hct) were TR:TREATMENT_SUMMARY treated with OZ277 (300 nM), OZ439 (300 nM), DHA (100 nM) or an equivalent TR:TREATMENT_SUMMARY volume of DMSO (0.03%) for 0, 3, 6 and 9 h. During the drug incubation period TR:TREATMENT_SUMMARY parasites were at 37°C under a gas atmosphere of 94% N2, 5% CO2 and 1% O2. TR:TREATMENT_COMPOUND OZ277 (arterolane), OZ439 (artefenomel) and dihydroartemisinin (DHA) TR:TREATMENT_VEHICLE DMSO TR:CELL_MEDIA Complete RPMI medium (10.4 g/L) containing HEPES (5.94 g/L), hypoxanthine (50 TR:CELL_MEDIA mg/L), sodium bicarbonate (2.1 g/L) and Albumax II (5 g/L). TR:CELL_MEDIA_LASTCHANGED Immediately prior to initiation of drug incubation #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Infected RBCs were adjusted to 10% parasitaemia and 2% haematocrit and the SP:SAMPLEPREP_SUMMARY culture medium refreshed prior to drug addition. Following the drug incubation SP:SAMPLEPREP_SUMMARY period, 1E8 cells were pelleted by centrifugation at 1,000 x g for 3 min and the SP:SAMPLEPREP_SUMMARY culture medium was removed. Parasite metabolism was quenched by the addition of SP:SAMPLEPREP_SUMMARY ice-cold PBS, pelleted again and the supernatant discarded prior to metabolite SP:SAMPLEPREP_SUMMARY extraction. Metabolites were extracted from the cell pellet using 150 µL of SP:SAMPLEPREP_SUMMARY cold methanol. The extraction solvent containing the internal standard compounds SP:SAMPLEPREP_SUMMARY CHAPS (3-[(3-cholamidopropyl)-dimethylammonio]-1-propanesulfonate), CAPS SP:SAMPLEPREP_SUMMARY (3-(cyclohexylamino)-1-propanesulfonic acid), PIPES SP:SAMPLEPREP_SUMMARY (1,4-piperazinediethanesulfonic acid) and TRIS SP:SAMPLEPREP_SUMMARY (2-amino-2-(hydroxymethyl)-1,3-propanediol) was directly added to the cell SP:SAMPLEPREP_SUMMARY pellet, mixed by pipetting and subjected to automatic vortex mixing for 1 h at SP:SAMPLEPREP_SUMMARY 4°C. Following the 1 h incubation, samples were pelleted by centrifugation at SP:SAMPLEPREP_SUMMARY 21,100 x g for 10 min, 110 µL of particle free supernatant was transferred to SP:SAMPLEPREP_SUMMARY glass LC-MS vials and stored at -80°C until analysis. A 15 µL aliquot of each SP:SAMPLEPREP_SUMMARY sample was combined to generate a pooled biological quality control (PBQC) SP:SAMPLEPREP_SUMMARY sample. SP:PROCESSING_STORAGE_CONDITIONS Described in summary SP:EXTRACT_STORAGE Described in summary #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The 32 min gradient HPLC run was from 80% B to 50% B over 15 min, then to 5% B CH:CHROMATOGRAPHY_SUMMARY at 18 min, followed by a wash with 5% B for 3 min and re-equilibrated with 80% B CH:CHROMATOGRAPHY_SUMMARY at a flow rate of 0.3 mL/min. CH:CHROMATOGRAPHY_TYPE pHILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um) CH:SOLVENT_A 20 mM ammonium carbonate CH:SOLVENT_B 100% acetonitrile #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Metabolite detection was performed using a high-resolution Q Exactive MS MS:MS_COMMENTS (ThermoFisher) in both positive and negative ionisation modes. The PBQC sample MS:MS_COMMENTS was run periodically throughout each LC-MS batch to monitor signal MS:MS_COMMENTS reproducibility and support downstream metabolite identification. Extraction MS:MS_COMMENTS solvent blank samples were also analysed to identify possible contaminating MS:MS_COMMENTS chemical species. To aid in metabolite identification, approximately 250 MS:MS_COMMENTS authentic metabolite standards were analysed prior to each LC-MS batch and their MS:MS_COMMENTS peaks and retention time manually checked using the ToxID software MS:MS_COMMENTS (ThermoFisher). Metabolomics data were analysed using the IDEOM workflow (Creek MS:MS_COMMENTS et al. 2012). Briefly, the IDEOM processing pipeline uses msconvert for MS:MS_COMMENTS conversion of raw files to mzXML files and split polarity, XCMS to extract raw MS:MS_COMMENTS peak intensities and mzMatch to align samples, filter noise, fill missing peaks MS:MS_COMMENTS and annotate related peaks. Manual assessment of spiked internal standards, MS:MS_COMMENTS total ion chromatograms and median peak heights ensured signal reproducibility MS:MS_COMMENTS and allowed exclusion of outlier samples. High confidence metabolite MS:MS_COMMENTS identification (MSI level 1) was made by matching accurate mass and retention MS:MS_COMMENTS time to authentic metabolite standards. Putative identifications (MSI level 2) MS:MS_COMMENTS for metabolites lacking standards were based on exact mass and predicted MS:MS_COMMENTS retention times. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples DHA_iRBC_0h_B DHA_iRBC_0h_C DHA_iRBC_0h_D DHA_iRBC_3h_B DHA_iRBC_3h_C DHA_iRBC_3h_D DHA_iRBC_6h_B DHA_iRBC_6h_C DHA_iRBC_6h_D DHA_iRBC_9h_B DHA_iRBC_9h_C DHA_iRBC_9h_D DHA_unRBC_0h_B DHA_unRBC_0h_C DHA_unRBC_0h_D DHA_unRBC_3h_B DHA_unRBC_3h_C DHA_unRBC_3h_D DHA_unRBC_6h_B DHA_unRBC_6h_C DHA_unRBC_6h_D DHA_unRBC_9h_B DHA_unRBC_9h_C DHA_unRBC_9h_D DMSO_iRBC_0h_B DMSO_iRBC_0h_C DMSO_iRBC_0h_D DMSO_iRBC_3h_B DMSO_iRBC_3h_C DMSO_iRBC_3h_D DMSO_iRBC_6h_B DMSO_iRBC_6h_C DMSO_iRBC_6h_D DMSO_iRBC_9h_B DMSO_iRBC_9h_C DMSO_iRBC_9h_D DMSO_unRBC_0h_B DMSO_unRBC_0h_C DMSO_unRBC_0h_D DMSO_unRBC_3h_B DMSO_unRBC_3h_C DMSO_unRBC_3h_D DMSO_unRBC_6h_B DMSO_unRBC_6h_C DMSO_unRBC_6h_D DMSO_unRBC_9h_B DMSO_unRBC_9h_C DMSO_unRBC_9h_D OZ277_iRBC_0h_B OZ277_iRBC_0h_C OZ277_iRBC_0h_D OZ277_iRBC_3h_B OZ277_iRBC_3h_C OZ277_iRBC_3h_D OZ277_iRBC_6h_B OZ277_iRBC_6h_C OZ277_iRBC_6h_D OZ277_iRBC_9h_B OZ277_iRBC_9h_C OZ277_iRBC_9h_D OZ277_unRBC_0h_B OZ277_unRBC_0h_C OZ277_unRBC_0h_D OZ277_unRBC_3h_B OZ277_unRBC_3h_C OZ277_unRBC_3h_D OZ277_unRBC_6h_B OZ277_unRBC_6h_C OZ277_unRBC_6h_D OZ277_unRBC_9h_B OZ277_unRBC_9h_C OZ277_unRBC_9h_D OZ439_iRBC_0h_B OZ439_iRBC_0h_C OZ439_iRBC_0h_D OZ439_iRBC_3h_B OZ439_iRBC_3h_C OZ439_iRBC_3h_D OZ439_iRBC_6h_B OZ439_iRBC_6h_C OZ439_iRBC_6h_D OZ439_iRBC_9h_B OZ439_iRBC_9h_C OZ439_iRBC_9h_D OZ439_unRBC_0h_B OZ439_unRBC_0h_C OZ439_unRBC_0h_D OZ439_unRBC_3h_B OZ439_unRBC_3h_C OZ439_unRBC_3h_D OZ439_unRBC_6h_B OZ439_unRBC_6h_C OZ439_unRBC_6h_D OZ439_unRBC_9h_B OZ439_unRBC_9h_C OZ439_unRBC_9h_D Factors cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 cell_type:iRBC | treatment:DHA | treatment_duration_(h):9 cell_type:iRBC | treatment:DHA | treatment_duration_(h):9 cell_type:iRBC | treatment:DHA | treatment_duration_(h):9 cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 cell_type:unRBC | treatment:DHA | treatment_duration_(h):9 cell_type:unRBC | treatment:DHA | treatment_duration_(h):9 cell_type:unRBC | treatment:DHA | treatment_duration_(h):9 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 gamma-thiomethyl glutamate 104962.1953 74790.67188 77495.70313 110343.4219 67670.50781 70279.60938 88111.75 67745.76563 75816.15625 108860.9453 77418.14844 66110.3125 21597.36523 23877.7793 44747.42188 0 22818.96484 52723.78125 21416.07813 70205.64063 57380.375 0 42692.73047 40388.34375 127196.0625 58966.76563 92443.91406 93968.67969 70304.78906 72659.54688 82672.33594 47737.27344 130603.6797 72004.375 102742.3203 80323.63281 0 46546.48438 37808.55469 27807.00586 33196.27344 65963.95313 0 52408.05469 35070.46094 0 47493.76172 74106.29688 105487.7422 83148.17188 54593.06641 106149.6172 69237.32031 78398.67969 73566.57813 122417.2266 74150.96875 90677.38281 62887.84766 79175.90625 0 43434.34375 71833.88281 0 65177.17188 56396.55078 16676.60547 56985.73047 97244.44531 16552.27734 32527.68555 68159.75781 111132.6484 77401.80469 63955.52344 84158.28125 82794.60156 77300.67188 79156.58594 94519.35938 59586.73828 88772.57813 75580.72656 79956.42969 0 22213.61328 59264.82031 0 30306.94531 24193.79492 18599.76953 64954.29297 70099.41406 14537.49023 36822.77734 86253.02344 (-)-Hygroline 386673.6563 425661.6875 419288.6875 299817.4375 433958.0938 504485.7188 443946 465297.1563 591856.125 478126.3438 488463.125 453730.2813 299531.9688 327398.9688 447802 298966.1563 374587.8125 454110.9375 261474.9375 328760.6563 493404.5938 387549.2188 530500.125 515026.1875 191450.1094 431731.5 334008.2188 280105.3438 271164.0938 821862.875 260421.3594 355550.375 432685.75 63054.78125 437189.0313 89346.4375 434304.1875 686856.9375 401757.0313 405318.1875 367786.0625 344811.5625 290144.2813 576198.4375 314040.5938 499721.5313 550366.125 382118.7188 293214.8125 555614.5 429140.9375 328755.9375 500066.2188 520171 356259.4688 409664.5 480647.4688 317860.9688 364030.1875 377706.6563 263162.7188 453248.9063 310148.75 254727.3438 416703.4688 421229.0313 183532.7813 437876.9375 618188 377814.0938 549211.3125 475720.75 495198.9375 499893.3125 426111.9688 355470.7813 335428.7813 410611.7813 457533.3125 510050.5 527523.4375 394741.1875 353588.5625 780399.5625 416296 452162.7188 630024.125 673763.875 308330.6563 497051.5938 327818.25 365496.9688 526104.1875 350764.9063 533205.4375 529594.6875 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol 81868.24219 84033.10938 88342.13281 97875.84375 87276.29688 83053.89844 94444.03125 87101.99219 105350.8203 101824.2422 91058.45313 96644.95313 70449.19531 92284.38281 89471.39063 84331.66406 84282.53906 120488.2109 81824.32031 115852.5 76085.32031 95026.61719 87942.0625 81082.77344 53959.35156 121374 100987.3125 97615.5 119612.5938 94869.61719 79980.17188 82668.90625 97667.07031 69629.97656 58888.43359 123181.4922 95435.28906 99491.46875 94352.64063 112761.8984 84729.53125 100555.2656 47160.83594 97017.80469 106870.7109 124435.6484 87963.17969 110354.1094 80143.26563 134613.8594 125390.0625 63483.02734 92214.05469 84010.48438 60414.96094 71908.14063 85069.39063 82099.20313 84181.64844 58684.92969 82897.65625 99545.92188 84607.67969 70288.6875 88647.03125 83424.13281 87443.40625 86621 54202.9375 67522.39063 94833.59375 68651.20313 77270.07813 92092.53906 129141.4688 75081.69531 79661.17969 131274.0781 116029.1172 106788.2969 94210.35938 83260.76563 88913.66406 89825.01563 80595.5625 128530.0234 103919.1563 90426.89844 85995.63281 83564.32031 85767.84375 131752.9219 106250.0156 67400.60938 98078.6875 132293.2969 (1R,4S)-fenchan-2-one 84178.48438 150213.125 104182.7813 116286.1953 130559.3438 223517.125 160079.2188 73912.42188 120544.3984 157767.375 102788.4688 235960.375 114415.2266 61895.61328 134847.3125 104540.3359 142764.5469 293106.4375 70308.36719 179453.8906 125985.6875 103870.5547 47914.39063 148397.9063 86125.05469 113479.0625 148655.7344 95934.26563 114276 160077.0313 107687.6563 123010.1328 138352.625 136855.2344 100465.9688 146851.0781 182835.25 156244.0781 180698.7656 76705.27344 114324.4609 210029.4688 140013.8594 246801.6094 181730.125 174290.9844 191260.0625 144741.5 189203.0156 128297.3438 231474.6719 80026.70313 97117.46875 173836.125 129202.125 58265.45703 88230.29688 63719.02734 168876 103541.3672 105973.9453 126971.7734 387335.0313 68156.95313 137249.7188 166752.2813 63585.48828 151960.5938 173225.1563 158037.125 178588.4063 114784.2109 79140.05469 180773.8125 154183.6563 96551.55469 99119.6875 194947.4063 132091.3125 190916.7344 113521.5156 123926.3281 175539.1719 126096.2188 65034.71484 127447.1094 91350.22656 88099.00781 110855.7266 177617.875 163100.7656 73147.94531 213541 71760.0625 46322.84766 153454.9375 (24R,24'R)-Fucosterol epoxide 80271.29688 81406.08594 175617.9531 97446.91406 64625.91016 146580.125 89485.9375 147655.9375 152151.9375 68797.8125 58162.42188 145021.7656 144440.25 168136.3438 215458.4531 223070.7344 274181.1563 166367.9688 153065.9219 266605.9688 219033.4063 157289.6719 87801.25 164525.4375 73794.35156 188726.6406 129903.3203 98085.80469 96877.22656 163778.5156 63562.22266 82098.00781 148567.8438 121192.4531 63057.80078 137525.9688 244444.0781 203039.2813 183737.8125 209494.7656 193593.8594 253131.6875 227035.5781 164815.6719 171434.9063 180074.0938 185966.6875 172531.5781 102262.8047 70776.1875 120564.9766 129848.75 67952.99219 119750.6484 83293.125 81331.89844 148163.3906 68401.98438 95010.8125 130131.3594 113881.8594 182798.25 370623.5938 122612.5859 255726.5469 218874.0938 145416.5 293233.1875 208155.8281 87534.63281 223037.9531 183589.4688 86208.60156 99078.78125 133921.1875 79613.90625 76488.17188 210460.4688 94974.9375 100107.5391 177219.5 57100.64453 106347.5703 183673.7031 86366.10938 195567.375 228085.8281 187164.8438 250364.1563 189555.6094 306805.125 143750.7031 169026.9063 223776.4063 217067.4531 132470.6094 [FA (5:2)] 2,4-pentadienoic acid 6405.462891 5561.985352 5521.227539 5781.041992 5530.26123 6293.744629 5272.549316 4937.683105 5007.086426 5314.665039 9857.574219 7196.993164 49819.51563 55160.72266 68783.71875 82786.48438 98002.28906 97172.90625 126367.9141 105816.9297 126101.0078 107145.6094 108686.6328 120083.75 7785.837891 4298.821777 7366.661621 9921.43457 4400.986328 5174.734375 7175.773926 6012.527344 5283.012695 7834.732422 9661.859375 4973.764648 50876.99609 61125.49219 70792.03125 95894.9375 97901.53125 75056.50781 90299.75 120228.75 124074.7656 140444.6563 123813.2656 148514.4688 5144.311523 5196.154297 6778.971191 9640.501953 5433.674805 5421.154297 6122.974609 5435.69043 5292.008789 5172.769531 4416.145508 14345.46094 46056.27734 75302.58594 85856.53906 72121.4375 103513.7656 94127.65625 100088.9844 121785.8281 104040.6406 121593.7578 132070.1406 130251.0313 5314.724121 8336.524414 5507.712891 6634.410645 10815.02441 7532.537598 6035.73291 4872.986816 5885.868164 5226.571777 5512.01416 6277.424316 70842.92188 99003.53125 62169.74609 89872.75 125283.2266 113052.5781 109459.2266 156287.125 99457.91406 84507.59375 136041.0469 153854.4219 [FA hydroxy(18:0)] 9,10,12,13-tetrahydroxy-octadecanoic acid 51304.14453 80386.98438 66966.25781 75514.65625 51341.63672 78976.64063 79719.78906 89288.47656 109104.8594 82296.48438 57462.91016 94448.90625 36674.43359 80998.65625 103350.375 87629.03906 77398.27344 114328.1328 89296.61719 64259.93359 86188.42969 45733.67188 77828.20313 99030.79688 29892.97266 71872.47656 94896.78125 34074.90234 101779.0938 68335.48438 46671.94922 81631.51563 76982.46094 45629.78906 70941.0625 73085.67969 66338.3125 59992.47656 91714.47656 64858.88281 65453.53125 52983.07813 67560.69531 100181.9531 72135.17969 78805.27344 55219.39063 75334.48438 61041.58594 85688.23438 79754.75 52001.19141 108209.6875 76460.61719 53544.33594 84743.88281 52809.95313 72393.47656 63091.58594 98282.07031 38040.62109 77937.23438 51890.25391 51370.79297 72011.53906 76655.67188 42245.65625 87908.875 91582.61719 69720.32813 83869.48438 79319.82031 79283.55469 102279.625 77402.64063 65626.89844 108402.4766 96536.42188 59417.51953 99858.21875 78557.50781 59227.625 82576.49219 103364.5391 47178.375 64890.66016 103952.875 50905.55469 82185.71094 90986.98438 111417.9609 48063.1875 128831.1016 74312.50781 111513.9063 83890.78906 [FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid 55894.60938 167142.7031 0 43186.23438 168902.4375 0 86675.09375 179614.9531 0 152206.5 199108.1875 0 53863.90625 137389.5156 0 41805.90625 179849.5156 0 84593.17188 174119.3906 21596.2207 166519.6875 191509.0469 18364.38867 28506.24219 187020.3281 0 45661.16406 188508.2031 0 100819.8984 212106.5 17099.66016 113656.3672 240421.125 0 64948.71875 188872.8906 0 48355.44922 205889.1094 0 95670.60938 250083.1406 0 153252.4688 188024.8438 0 63779.48438 180211.9531 0 37309.73047 139160.0938 0 127598.2656 176016.25 0 189477.9688 251716.7813 0 38363.90625 176113.2656 6171.5625 44363.87891 170643.8438 0 55653.14063 258766.0625 0 132510 205887.1094 0 48831.18359 237947.8125 0 43859.42578 168567.3281 0 122084.5469 277136 0 100470.3984 208620.3281 0 44650.50781 162093.2188 0 43972.62109 178961.9219 11969.65234 98263.15625 185452.7656 0 150843.2813 229766.2188 0 [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 320862 189942.1875 38149.88672 294049.2188 241518.625 44301.80859 337060.5625 196583.8594 29070.7793 274391.1563 202909.3438 30337.6582 650412.125 918952.3125 57544.23047 811920.4375 679429.1875 52352.05078 465105 637451.5 35786.51953 626882.4375 734543.25 39730.53516 268159.75 168483.9688 34264.59766 252134.8438 198322.1875 31426.15039 332651.6875 192132.9688 35079.84375 249292.1094 189257.2813 35808.47656 676188.5625 844375.4375 42561.19531 570155.125 785355.1875 42318.22656 642361.9375 692520.875 45215.76563 661462.875 691943.75 41082.875 222353.9063 199930.4219 29559.5332 294429.25 270567.375 41065.75391 302360.9375 179099.8438 33396.5 415581.2188 190296.5156 29574.05273 539889.25 688198.8125 55099.68359 520238.0313 689601.75 65222.15625 595671.5 702693.625 47832.625 498122.4375 763224.375 45856.78125 227035.875 211185.1875 43666.41406 302357.75 219439.2344 42913.05078 222423.9219 179601.5625 30682.75586 250712.8906 192960.6094 36384.24609 482386.4688 732694.375 37332.46484 743577.25 786627.875 35539.48047 606284.6875 807741.8125 51300.57813 852319.25 678500.5 37714.71875 [Fv hydroxy,methoxy,methyl,acetyl(5:0)] 3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) 91108.42969 174619.1563 115053.1875 95941.28906 116065.0156 96811.50781 112098.3203 82375.99219 85189.85156 81218.1875 73589.89063 73534.125 104074.7813 217416.4531 109953.0781 110758.5547 116070.2578 137527.8438 80485.69531 79380.90625 202509.2031 118283.8359 96320.38281 110808.375 102222.1094 140027.75 83991.17188 93466.8125 103930.1719 120458.1328 78203.47656 108017.3438 100919.1797 69486.64844 83271.39844 100950.5938 103301.0859 193076.7813 93252.79688 162459.0469 160655.2344 174971.8594 95817.6875 130529.2734 132211.7813 229917.7344 132812.7344 129480 110042.1641 231926.2656 147770.9844 88998.10156 94875.27344 85624.98438 74483.17969 105936.9609 90308.875 92290.25781 83272.16406 86763.92969 77957.41406 205929.8125 97363.75 100898.9688 125587.0078 109876.7266 96618.03125 102363.4922 121042.5 109015.8438 126127.7266 122615.9609 83957.35938 180038.7656 105215.5781 98550.92188 99179.40625 127151.1484 107426.8672 92635.78906 81165.875 112169.4453 90492.03906 105476.4141 99963.92969 296967.4375 95632.82813 129776.9844 178170.875 164973.8594 136257.7188 127606.375 211899.6094 165494 142869.8438 125165.7422 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 143463.6875 133994.7031 214856.875 112651.3984 100977.7188 167818.0625 169314.1094 143145.2969 173218.4531 137734.375 192470.5 193361.2344 138005.5938 246786.9375 229984.7344 148002.9531 178615.6406 119284.6328 179424.7344 185396.625 274822.2813 208947.2813 173531.3438 173548.9531 122036.9766 159701 189215.2969 112189.0234 152477.7656 155312.8438 68838.79688 102608.2422 149151.6719 123542.2109 113444.5703 155889.6406 200368.8125 236345.375 219389.25 132966.5469 247093.6875 164159.4063 183942.7969 221547.5156 179405.8906 184534.2969 258311.4063 185016.9844 155765.4063 132498.0156 183551.3906 130119.7109 153862.4063 175263.2188 132680.375 147940.3594 172757.8594 135802.3438 165804.5156 165515.4375 120396.2734 168489.9688 269554 117348.1719 204651.125 178679.625 87120.82813 173118.2969 185849.9688 127784.8203 177600.125 190470.1406 172190.5938 167751.0781 131862.6875 135978.9063 171439.0313 156156.3438 128757.125 121308.5938 133409.2031 114828.8125 124010.5859 148767.4844 143079.8594 261492.8906 164882.25 188495.8438 180255.25 127638.2188 209221.6094 164205.5313 160764.5156 165961.2813 143978.5469 149248.9219 [PC(18:3)] 81620.27344 134508.2969 132562.7188 44909.89453 59869.01563 82739.67969 0 0 49193.16797 0 0 0 96071.03125 88359.5625 168304 83283.33594 114951.4531 115091.0234 71849.16406 98716.66406 121593.9766 100621.125 106329.6953 130826.3438 57741.4375 73870.59375 94013.60938 26593.81445 58545.88672 62799.59766 0 64588.23828 68475.26563 0 0 0 96905.01563 141530.3438 195762.6719 89559.01563 114763.1484 173254.4375 96968.14844 190050.6875 111019.5156 84882.59375 146926.4688 103744.9844 87887.44531 95190.80469 83673.07031 16803.46094 39349.61328 58035.63281 0 62096.64844 57003.69141 0 0 0 61611.41797 114635.6016 238703.5313 75780.03906 125063.2656 110572.9766 48001.19531 142719.7188 110297.0938 67303.64063 142513.3906 122334.75 120514.3125 92623.74219 120202.4688 32965.67188 55983.32813 90681.125 0 0 39922.20703 0 0 0 92944.1875 162137.9844 102211.5547 120459.0469 111789.2656 85669.16406 139456.3438 149187.7344 106359.875 132654.9688 131393.0156 145727.3594 [PC(19:2)] 1-(1Z,12Z-nonadecadienyl)-sn-glycero-3-phosphocholine 512148.625 310806.1563 344849.7813 673543.875 397646 258358.8125 468712.875 337121.0938 302707.6563 476252.8438 545948.0625 274855.0625 576657.625 273412 397762.6875 565308.75 350449.75 209693.375 596268.875 472845.5 256319.7344 713690.875 396275.1563 199137.2813 565742.1875 497286.4688 239440.375 514357.9375 289644.9063 162366.3906 825443.8125 414276.6563 336200.2188 505426.5313 315458.75 349264.7188 503132.375 462881.4688 431042.3125 465495.5313 364849.1875 322823.75 611046.4375 444669.9063 250932.6094 591284.25 461469.3125 245482.2813 463690.7813 346759.0938 334941.3438 681828.125 452810.8438 243702.6094 562953.3125 492548.6563 242818.9063 506284.0625 379727.75 155458.0781 642412.125 359473.2813 277746.4375 556731.875 561486.5625 262784.9688 485828.0313 340081.1563 220835.1563 471612.5938 482845.5 232759.1094 551578.3125 350782.6875 381136.3125 803952.125 453653.3438 253659.0469 674321.1875 379272.9063 229251.8594 545369.8125 551680.5 240535.7031 675107.25 273589.0313 300194.125 624666.625 304316.4688 142990.3125 585952.875 355294.6563 271071.2813 556002.8125 326755.2813 244148.5938 [PR] (-)-alpha-Bisabolol 93219.70313 111694.5078 124187.5469 74627.49219 98299.72656 107888.2813 87927.10156 108390.9063 175227.2031 92039.10938 85457.80469 111705.4688 90890.89063 132408.0938 110575.3906 106868.0703 91610.22656 124493.9766 95704.65625 117608.0391 134394.0313 81593.91406 92540.92969 114204.5391 78081.23438 101131.25 161453.625 72173.60938 132428.3125 102941.9141 75997.15625 78350.39063 135246.5469 101039.7891 108128.4922 114840.8594 107160.1484 86980.41406 167701.5938 110620.8906 126733.7656 144588.1094 102083.375 119726.75 105778.3594 96407.17969 111677.6406 177161.9531 72937.625 121456.0078 124225.5703 108091.3516 102802.1719 141479.1094 104345.9063 137028.875 85597.21875 118123.7891 99946.08594 105978.6875 85542.09375 104654.2813 137146.9688 75466.09375 112685.6719 143864.7656 91828.41406 99155.94531 99730.17188 136522.7969 94875.83594 112297.4141 92669.88281 152076.3125 111103.2188 104085.8125 132198.6406 141821.75 120437.9922 109034.3516 132428.8438 85119.89063 129321.5625 141369.75 69113.86719 108893.2266 108095.7266 105183.9688 95638.48438 124685.9922 106488.2656 121771.6172 118550.2813 109875.4063 107701.7031 104083.25 [PR] Farnesyl pyrophosphate 28196.62305 54496.32422 118553.6094 36916.14844 37270.89063 86057.875 55156.16406 37375.73828 96862.35938 35812.36328 41599.07422 76399.70313 32506.99609 73422.40625 129600.8047 51279.83203 64972.5625 86517.16406 130675.5625 65746.89063 94828.28125 49860.60938 97143.28125 64604.51563 22778.26367 39528.28906 90708.86719 32939.10156 43506.03906 69085.24219 40354.01563 31820.49219 78443.51563 41150.44922 35137.73047 62862.41406 55819.24609 88653.30469 109012.9297 45999.45313 100545.4297 58299.3125 51097.88281 55307.75 88520.25 73330.73438 69194.30469 63244.4375 31199.95117 62164.78906 54283.84766 36155.47266 38302.63672 69151.42969 44934.94141 45304.79297 81969.54688 50579.07031 40327.22656 65154.13281 49057 107518.5234 210692.25 41373.70313 82855.82031 81536.46094 40606.90625 75087.64844 83342.30469 46517.85547 58754.5 86273.24219 46237.32031 38675.58594 62786.88281 40360.81641 35502.23828 80400.95313 46449.72656 38759.81641 80432.23438 32830.52344 39710.10938 86374.54688 48619.58203 59020.69141 56020.47656 46157.125 75872.5625 53564.05859 49000.26172 77569.39063 74157.57813 47862.98438 63862.48047 93021.41406 [SP (14:0)] 1-deoxy-tetradecasphinganine 191512.0938 262471.5938 297085.4375 234185.0781 222603.375 179505.7344 289811.7813 367609.5625 304407.7188 228178.2031 329015.625 327508.9375 154691.2656 215325.9375 256123.6875 131669.9531 286012.0313 372111.5625 282979.4375 257455.4375 275844.1875 273188.875 175694.7656 307083.5938 208070.75 243818.5 369831.7813 133368.375 238699.8594 261172.0625 222973.2656 258853.9844 387983.6563 156209.9375 175803.7188 337161 333449.4375 241416.0938 287363.4688 190727.6094 244383.8438 222256.8906 259117.625 205652.75 379647.4688 270136.1875 294129.7188 221884.5938 262862.0625 225661.5625 245377.8281 227085.4375 187852.75 214574.1094 307617.75 203915.0781 260798.1094 332039 332624.5 354321.0938 123912.1484 261237.5313 347598.0938 162689.25 371676.5 328373.8438 160422.5156 265114.7813 151553.7813 204481.6406 174221.0625 149215.0938 164790.9063 312149.4063 207144.625 198940.0156 204077.8906 316749.5313 223374.8281 277859.8125 227352.9531 152472.7344 206688.5 339467.375 171025.9375 193804.5 245378.4375 199682.8125 272037.8125 220368.5781 235738.3594 194608.3906 277746.3125 231038.3906 151348.125 284023.0313 [SP (14:0)] N-(tetradecanoyl)-1-beta-glucosyl-sphinganine 266176.5313 236730.8906 250653.5625 339566.1875 323312.5313 317400.0313 473391 328774.25 308179.875 302871.75 268481 288383.7813 243837.0156 274064.4063 263945.25 275794.375 278347.8125 326114.5625 256023.4375 284749.8125 289133.1563 288748.5625 285643.8125 265274.9688 243513.625 296980.375 266125.3438 282184.8125 298607.4375 215349.0938 316907.0625 322770.6875 281065.6875 301152.1875 287054.3125 259370.8125 340034.9063 328602.7188 269000.1875 269525.0625 267383.4375 252270.5938 277874 259374.8438 244917.0938 267940.7813 289182.7813 293312.75 282357.8438 352199.25 263840.0938 266661.8125 259042.2969 228827.1406 312930.1563 284996.9375 289522.5313 378655.1563 296846.5625 294890.375 289659.0625 294645.4688 302723.0313 257845.2969 262172.8438 258098.6094 254929.9844 274075.375 256146.5313 273483.125 300557.0938 211822.125 262248.4688 291682.9375 235296.9531 306244.6563 307650.1875 361961.0938 250653.3125 310924.2813 231649.2656 250460.7344 290617.75 290734.7813 282976.8438 248432.1563 263976.5938 336815.3125 245044.7969 238590.6875 284658.2813 300815.1563 270146.7188 299544.5 307347.5938 266590.5 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 87646.97656 80304.67969 235259.25 85412.57813 86916.9375 267129.9688 79824.92188 81330.30469 218019.375 71348.92188 108789.8359 245404.5625 69434.89844 106027.7344 139958.9531 87783.9375 80397.38281 210962.75 28674.14063 120092.5 234189.2656 88968.60938 122065.8516 220352.3906 78925.64844 111784.4844 205891.6875 59758.26953 78751.78125 245287.8594 74941.80469 71783.89844 230818.8906 105030.4453 71752.16406 215332.875 117114.0938 83085.99219 283628.6875 78078.875 81395.39844 264569.5 97773.76563 100738.0625 220207.9219 74619.875 91033.85156 211248.375 107170.4141 82691.97656 249046.3281 65162.51172 81293.25781 261729.1563 95411.50781 82675.42969 275993.2188 98296.86719 113739.1172 253958 74375.98438 100316.3281 138255.4531 57527.33594 85405.63281 271489.0313 86965.77344 86053.58594 146458.0313 67486.89844 86775.35156 270010.4375 70869.75 89790.67188 279373.125 70379.32031 91355.59375 290537.9688 81850.55469 92838.1875 209594.3906 76167.76563 78439.36719 234391.1875 44499.52734 92005.83594 246499.6719 86418.11719 88479.47656 210933.125 109873.3281 76032.96875 215635 70048.24219 79677.26563 233668.9688 [SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine 162045.4375 193472.5625 328722.4688 143797.7969 195445.1406 245637.5469 159206.3438 130090.3438 189966.3125 169143.4375 158269.1719 215160.1719 124487.2734 182039.3594 186285.7656 174441.8438 207818.25 259679.7031 74019.09375 267773.1875 284227.7813 277560.5938 172282.2656 281936 129314.9609 332532.75 198204.2344 167061.7656 180872.3906 195246.9219 120250.3672 153219.1094 195412.8906 155217.7344 119155.0781 227997.7344 190619.7969 220908.6719 223439.2969 144882.0313 203639.6719 208337.375 192636.6406 227287.3125 228166.5781 181530.6563 175936.1719 204733.8594 177651.6563 129360.4063 206534.9063 163820.7813 152790.0156 224400.2031 184338.2813 186201.9219 342374.0938 187633.625 185049.25 238997.5469 119841.8594 199160.2813 38381.14063 157365.8906 189761 242628.0781 164320.3281 296127.2188 233571.9375 143900.75 214666.6719 234576.2813 127466.3203 201105.8594 234474.7031 145994.25 186696.4688 210984.8906 141007.6406 148416.8438 213615.4063 178262.375 151358.1563 244865.6719 133828.0781 221230.7969 162214.7188 189241.2031 202132.125 188139.625 203870.1406 234829.1406 222879.6719 177437.8594 189160.1719 232644.5469 [SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol 1887895.5 2492874.5 2339043.25 2147633 2471410.5 1978902.25 2579662 2235953.25 1881307.625 2997350.25 1904895.875 3539176.5 332889.9063 1248313.5 2000002.125 1536366.5 1950036.375 3906394.75 1080763.5 1517738.5 1002098.563 948486.875 1050210.375 1294601.875 757683.9375 2447584.25 510417.3125 1848956.375 2682003 468578.3125 1679233.5 2560572.5 2436630 1917166.125 1866741.875 2324189.25 3823249.5 2858451.25 1316202.625 1431461 1838344.75 734664.375 2584175.75 1632942.125 3221294 1779905.75 3289713.25 2466951.25 3135921 3139087 3854186.25 1783494.375 1423678.5 2969421.75 1804059.75 1002884.188 1379557.75 1585242.125 2951681.75 1934550.625 931525.125 2550273 3811597.25 249113.0625 662573.875 241839.5938 1362949.75 2588654.75 2133435.25 2243016.25 1025241.625 1930672 1410242.375 1398629 2466197.75 1445133.75 1781772.25 2733539.25 2059396.375 3634330 2215828.25 1529736.75 2759659 2706032.5 1464797.625 1835516.625 1687859.625 1548080 1578705.375 2386579.25 1809622.25 1367335.875 2221336.25 1219649.5 1357346.5 2933267.75 [SP] Pramanicin 249638.2656 234442.0313 254942.2813 318028.9688 289092.1563 264105.0313 269752.7188 212224.6094 260536.4375 270512.7188 257569.375 286183.0625 250122.5781 251753.2969 283348.1563 302646.9688 234147.9219 257876.5625 248049.7813 227711.5625 239452.9531 304592.0625 249988.2188 234408.6406 262778.2188 250152.7656 247827.0469 244746.375 255250.5781 217028.8125 235692.6094 253900.9688 271947.7188 243942.8594 253481.3125 247350.9063 264070.3125 241144.0625 249606.3906 282674.2188 264904.625 278966.9063 258370.9063 237983.7031 257114.8125 272408.4375 274202.75 239441.3438 260853.4219 255992.6406 264041.7188 264811.5 278298.0938 258648.0781 284750.5313 256635.4063 232894.4375 247582.2969 271067.8125 251938.9531 237720.0781 238529.375 225067.4219 304566.625 253276.5313 265488.5938 257476.3125 250031.875 254142.2031 244636.7813 274929.75 249533.0156 274359.875 266990.0938 232309.4688 313286.4063 273681.75 236932.9688 262212.9688 308833.1563 256909.375 238292.6094 252271.0313 257473.8594 246424.6406 208516.2656 270692.4063 253560.7188 223176.3281 267794.9375 261194.875 230559.75 248772.25 251647.8594 259285.1094 285405.7813 [SP] Sphing-4-enine 57072.98828 60013.34766 247006.3594 80867.49219 67886.17969 330504.0313 83544.78906 91451.86719 443428.9688 76158.35156 95603.10938 463770.3125 57486.64063 118238.3203 296770 100507.7656 98609.71094 402068.0938 95458.83594 129167.5469 445671.0625 120563.3125 148920.2188 518201.2813 49803.10547 55484.26953 245399.9844 78173.89063 85657.41406 282766.2188 46491.01563 52905.35938 297685.6875 55761.23047 68996.71094 280484.8125 65755.32031 85148.55469 329779.75 45393.75 68486.32813 404382.5938 106518.5391 121778.6719 444555.8125 127967.7578 170337.8906 525784.875 94243.03125 87784.80469 292357.4688 74231.75781 60953.83203 296323.6875 67870.08594 76636.5625 368086.5313 63769.8125 92472.90625 343066.4688 51804.05859 85114.75781 401246.4375 60368.3125 110744.5703 435515.4375 71454.11719 131230.0156 414332.9688 102273.2422 147328 533211.875 81823.72656 68045.13281 331047.6563 66328.97656 54975.46875 311626 59544.26953 55127.32813 300752.0313 68108.10938 72960.13281 374478.7813 57502.08594 87444.42188 300249.2188 82418.3125 116510.125 366975.875 102026.0313 116219 472825.4375 118098.7188 127370.1172 542348.375 [SP] Sphinganine-1-phosphate 45541.07813 15501.67871 240716.0469 79238.13281 13900.00293 310009.4063 106225.6797 36361.64063 506045.375 136444 49935.04297 567974.75 74143.03125 90151.70313 375225.5313 61921.87109 119312.1953 349904.0938 79378.64844 125174.1406 256788.875 112170.6172 110419.5156 321851.5 58203.83594 0 235668.6094 58507.78906 19212.81836 389473.9688 65635.92969 57334.85547 423367.25 86123.36719 52019.43359 752405.125 75499.84375 202492.0313 392441.875 103568.6641 131901.25 260065.75 65305.48828 118173.4688 317664.8125 93910.15625 140064.7656 453707 110983.0234 25179.11719 242381.0938 55715.54297 36442.60938 307351.6563 76587.01563 29522.77539 408478.5938 67733.28906 96377.5 588033.4375 46733.125 157518.125 600673.5625 39208.60156 102645.8672 350156.8438 32244.61914 156453.2031 379976.0625 139140.3438 322232.6563 408147.125 108472.7266 40405.88672 113102.9688 91565.19531 44834.14453 316176.25 139148.1719 38552.26563 337666.0313 171600.1406 69049.78906 886137.75 105529.0078 130805.6172 292364 65331.38281 106615.9453 254421.5 54883.82422 122936.8203 299204.9375 94942.86719 166701.9219 445700.625 [ST Trihydroxy,ox] 3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid 582506.9375 438590.5313 512663.9375 484903.4375 612683.5625 504785.5938 501325.9688 445214.75 586397.4375 463363.8438 456581.5313 500727.9375 470136.6875 322518.6563 487434.1563 384726.9688 455634.8438 445035.4063 338544.5938 498578.25 713610.5625 517791.625 467555.625 490468.75 391336.1563 561839.6875 454884.8125 380863.6875 402180.9375 548553.3125 460459.6563 270869.625 584680.9375 459012.5313 424209.2813 707208.5625 591883.125 502197.7813 658268.5 563376.9375 457963.5 377324.5938 565463.0625 608790.5625 567144.5625 423911.9375 589271.25 627960.4375 589003.4375 678347 707260.9375 360007.5 468323 543791.375 622228.375 497992.25 596285.375 409686.7813 462607.625 463821.5313 320844.0938 611044.875 418066.0313 297688.9063 527714.3125 673048.25 298984.7188 504599.8438 550758.4375 330970.9375 667032.3125 534604.5625 453483.6875 656157.3125 632763.1875 591411.8125 508518.9688 566134.25 468856.5 398592.875 570370.875 386235.1875 441893.9063 381460.5 473138.3438 548936.0625 650624.0625 544831.5 348001.5625 272023.0938 420950.2188 603502.375 656610 392578.5938 691193.75 616129.8125 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 276977.9688 421955.5 233217.8438 544965.8125 350309.9688 479130.75 249778.8906 379889.7813 244746.1719 263574 409279.8438 355605.9375 317717.9063 1517756.875 508709.5313 385160.4063 289753.1875 374297.5313 387155.6563 254068.8594 279002.7188 463727.5313 693954.625 349681.9688 417091.4375 494809.75 420143.4063 270283.8438 165392.7031 1086509 197743.1563 384576.4063 431928.7813 261375.1094 250196.2969 229230.8125 304729.4375 300694.875 201089.8438 359748.5938 936377.8125 971474.75 898719.6875 615637.875 535721.6875 644301.75 520948.0938 457239.125 587968.1875 741233.125 370590.8438 467314.1875 456826.8438 344706.6875 1196286.875 300636.125 849421.1875 360096.7813 376617.6875 774472.6875 218176.7656 418691.4063 496299.25 559794.875 298949.0313 469019.75 297817.5625 732876.375 685358.875 591987.1875 403286.2188 317951.4375 353731.0313 172978.125 426302.125 277337.875 436782.5938 343321.0938 216410.875 137812.5313 428045.4375 228110.9063 220425.5781 574380.875 727594.375 754572.0625 936207.6875 482180.6563 383613.5938 506876.2188 578990.625 235475.8594 1012331.563 297618.5938 270405.9688 449959.1875 1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine 50871.32422 79985.72656 71954.84375 58255.84375 74532.1875 81383.41406 68202.75781 64936.46875 86347.97656 49254.90234 77121.04688 87809.89063 63511.04297 74786.82031 83316.49219 59760.53516 112423.6328 98537.90625 76814.07031 113995.7734 132988.9844 84893.91406 96476.32031 77616.88281 49200.1875 70065.51563 96004.34375 58964.93359 77817.67188 81658.6875 53199.78906 63387.36719 110839.7109 59350.61719 64660.01953 108544.0547 87221.32813 106065.6797 52234.10938 98091.96094 108448.3516 92089.13281 78639.46094 141505.5938 90099.23438 95125.34375 92749.84375 83630.28906 69006.50781 65779.82031 78064.10938 47255.50391 86530.97656 82658.17969 66193.53906 81691.85938 81937.91406 74981.11719 69452.29688 89134.09375 58555.75391 71966.89063 134451.9531 59741.11328 79044.66406 94278.6875 40258.99219 91684.30469 48670.82031 51980.875 93364.23438 87009.75 78554.85156 76920.625 73001.125 72181.125 51188.01953 95794.36719 60985.30078 55106.96094 72717.74219 42320.05078 109736.0625 83155.86719 83690.22656 66826.29688 58030.98047 95094.65625 101092.3672 71183 89221.15625 67611.4375 85896.51563 85528.33594 94303.72656 79210.53125 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 127097.4609 120736.3906 121122.4922 151699.2813 141981.5156 169739.5156 154068.3281 129947.1172 131536.0313 185615.9531 90051.8125 166487.4688 38830.61328 59395.14063 23522.04297 34067.94922 50941.6875 27644.2832 30447.14648 56557.48438 29292.2832 53757.18359 67527.16406 34696.99219 89931.46094 106933.5625 137749.6875 179272.7656 154821.75 145860.5781 195248.1406 208552.7188 211930.7031 467350.25 262480.8438 327126.0625 59893.67188 41698.71875 34173.5 45365.20703 49560.71094 26441.71289 43913.51563 56731.80859 37610.49609 49938.01953 58643.80469 24365.47656 135685.6563 128622.0156 152428.625 128390.1719 135460.125 155634.5938 236813.4688 144982.8281 149247.9375 187018.5938 156499.2188 152677.9375 19311.43164 48637.64453 24797.74609 47110.60156 59085.52734 31344.25195 44072.92578 64980.01172 28511.80469 51167.18359 48344.8125 36493.46094 146685.8281 170361.7344 137066.25 132001 96984.84375 169348.4063 269188.7813 104548.3281 132060.9219 166706.7344 172734.9219 152840.5156 23983.33594 44028.14453 27835.82422 43288.42969 49386.85547 19279.02344 46922.69531 56290.57422 27175.84375 52138.78906 47284.74219 38790.16797 1-(O-alpha-D-glucopyranosyl)-3-keto-(25R,27R)-octacosanediol 185268.7813 261370.5625 271192.5313 161671.5313 214507.6875 290794.6875 287986.125 237501.7344 297672.5313 210503.9844 243776.375 186880.4219 278318.6875 194626.0938 197110.75 249373.8438 217286.125 251195.9375 150091.3906 302416.5 264517.7188 256161.2188 224680.1719 288991.1875 209321.4844 160404.8281 238457.3281 159751.7031 208008.3594 245217.4219 239029 179870.4844 407478.9688 176098.9063 222161.3125 361125.9688 184741.7188 228372.7813 284013.1563 179521.4219 250612.9219 292981.625 132257.7031 235591 207529.8594 145591.4219 292308.375 295789.9375 192774.8906 279200.8125 333436.0938 211143.4063 211162.9063 233216.3594 261232.8438 210642.3594 283379.9063 228652.8438 296507.4375 253842.25 190878.8906 240437.7656 187964.8906 139247.6719 211834.2344 320745.75 137044.2188 233061.6406 334400.9063 181550.875 298298.3438 276941.3438 171743.4219 229263.1094 230873.0781 255249.9375 294571.7813 266354.875 294251.5625 202747.8906 376942.1875 239880.6094 197323.8906 300057.3438 172557.875 215347.9688 229718.7656 358562.625 248245.4375 217217.0156 192024.9531 217128.8125 241911.0156 225466.5156 303639.7813 393142.4688 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one 18989.41992 7394.906738 20034.61719 29182.44922 16399.76953 20565.75 37418.91406 19947.45117 41767.46484 64756.74219 30617.64648 23567.38867 0 0 0 0 0 0 0 0 0 0 0 0 19625.0293 6839.779297 8434.388672 95150.20313 39893.52734 81859.57031 151572.0781 73227.73438 168377.5625 191728.75 145651.1875 187247.0469 0 0 0 0 0 0 0 0 0 0 0 0 16392.80273 0 13897.25 42675.01953 27746.18555 35211.56641 49561.32031 31297.89648 35287.6875 57273.94141 31864.21094 27497.69141 0 0 0 0 0 0 0 0 0 0 0 0 20326.62109 11543.26758 14779.46777 56167.25391 29018.91211 40518.10938 69400.08594 45302.97266 44643.05469 75211.53125 41642.1875 55101.125 0 0 0 0 0 0 0 0 0 0 0 0 1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha- D-mannosyl-1,2-alpha-D-mannosyl-D-mannose 69186.83594 79571.86719 23920.23828 69009.32813 80132.875 22578.5332 78158.76563 67657.88281 28466.08008 75885.78906 76058.60156 22837.5293 78994.75 92239.77344 29434.7207 129773.4531 93207.50781 24378.49219 96907.25781 110442.3047 23896.44531 130118.7188 118978.1172 26136.43164 56678.87109 82263.49219 21527.70313 64310.45703 69120.82031 25639.83203 81774.16406 82492.03906 21224.81641 93178.78125 76883.64063 21538.70313 92206.00781 102900.6953 23725.69727 108360.7344 117938.0234 28440.35742 92749.33594 92742.09375 24046.23633 125801.0625 167686.75 21422.38281 89374.96875 54136.68359 21594.92383 75301.09375 71961.94531 22271.9375 118456.3203 81375.50781 18774.06445 73627.27344 81783.74219 22170.74609 81190.35156 119693.9219 40851.85938 92398.42969 107940.7188 20064.3418 86193.00781 88986.54688 24964.73438 111041.4219 142473.2188 19270.65234 66014.8125 62549.76953 22378.60547 68701.58594 73533.125 29161.19336 75732.32031 66997.85156 20295.65039 75339.1875 86087.82813 22571.57031 79579.57813 113124.7578 19800.25391 94270.88281 101268.5938 19215.32617 111327.1719 111562.6094 27164.99609 104931.0938 128250.8906 22920.44727 13-14-DihydroPGF-1a 699847.375 4699343.5 75818.85938 234041.25 4134851 10167858 670205.6875 161807.5469 1134948.25 681922.5625 48808.03516 499433.25 9610646 111220.1953 495224.9688 585196.5625 3186978.5 2100577 0 5427269.5 5566592.5 4624697.5 397798.0313 2133266 8447399 1035652.5 16868166 759297.75 139515.4531 23022592 2296451.5 316402.125 4386458 3964032 3994480.5 283246.2813 501853.625 1177060.25 8229370 41551.62891 1152985.875 8217935.5 517459.75 9601652 321134.375 3686832.75 504240.0938 123103.5938 1476086.5 231776.2031 571719.5 1083032.125 5340881.5 830786 2686638.25 153476.7031 212625.25 265302.5313 349817.1563 306794.9375 5028859 217776.4531 10695235 255984.125 16607731 13180917 638888.625 3307225.75 2954377.5 921297.25 12106457 1203914.125 943500.25 6753100.5 3111858.25 803532.5 3462066.25 3393060.5 837896 1129624.625 762536.1875 1717831.375 868762.1875 87927.85938 56456.70313 4885402 282564.2188 99845.23438 6524693 2076814.125 1835757.75 269485.375 2088911 4895661 862431.5 475949.875 1-4-beta-D-Glucan 97828.64844 100735.6875 575022.75 165635.7656 72897.72656 156880.5938 94385.96094 93748.47656 329548.5 125921.875 81188.48438 721492.125 61618.01563 107606.3047 601199.9375 82320.71875 148345.2969 556015.125 174143.4531 89825.02344 80368.55469 86534.33594 62240.49609 147936.0313 58750.38281 138229.8281 118469.2813 99630.40625 85426.51563 130805.7188 56229.8125 52602.6875 255546.3281 77196.38281 106890.7188 408961.625 88523.98438 102751.2344 145006.3594 107369.4063 63678.25391 390934.1875 147395.3594 99026.21094 368726.9688 124193.5078 155099.4531 453411.5938 271089.4375 114925.1172 218890.8125 194383.0156 37497.89453 192582.1406 111012.625 128545.2578 617496.9375 513851.4063 103791 767005.1875 101879.1484 740251.4375 3609009.25 74111.01563 68511.78906 150430.5469 61910.92188 87214.51563 154623.3906 57947.72266 57965.73438 196920.5313 160929.4688 302219.125 115952.4766 169880.8125 127269.4063 350379.0938 103278.8125 76385.25 54931.43359 74682.57031 122228.4688 101568.7969 127612.2031 82740.4375 261035.8438 117696.2578 86528.58594 217583.2031 203230.7031 111605.1406 337315.0313 75804.58594 116736.8047 205929.7344 2-(acetylamino)-1-5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 101881.4766 96496.50781 53049.07422 113964.8047 109260.3984 54284.54688 135687.2344 125564.2813 50094.03906 121617.8047 114029.5 53831.26953 155366.6094 155949.4688 49689.59766 169394.5938 137945.8438 60197.33984 145061.9063 176932.0469 68448.89063 129204.625 149684.5781 63094.75 96084.53125 98014.25781 62593.43359 112546.1797 110342.0859 54482.34766 121972.4609 98202.94531 50733.98438 116706.6328 103015.3984 49764.23047 165225.0781 137384.7031 66776.46875 159400.7344 150524.2656 48825.98047 156908.2813 154103.9531 53000.125 175618.9063 203380.9531 61239.25781 130653.5781 90578.53125 40676.01563 152961.2344 110891.7109 60556.15625 124103.6953 131053.8359 42747.33984 149418.2969 95520.32031 52977.40234 171449.4375 158311.5313 71006.67969 161973.9063 185386.1875 56291.15234 215383.9063 175167.4063 59453.39063 141627.5313 165425.4844 54724.16797 126455.9609 106242.2813 44191.95313 107648.7969 70364.92969 66191.17188 106816.7969 102395.3047 51169.92578 127185.8281 104151 48303.42188 140583.3906 157001.0313 52162.75 151401.875 157441.3594 65970.75781 168238.3594 172887.8906 74511 154020.7813 196327.7656 69015.98438 2(alpha-D-Mannosyl)-D-glycerate 150269.6094 133550.125 61583.14453 213620.4219 149861.3281 44619.76953 259472.875 210789.1875 60075.19141 195759.2813 172203.25 74753.625 189624.625 175895.4688 74230.11719 225922.8438 234449.7344 57306.12109 172097.3125 192712.875 51122.14063 216545.3125 168074.4688 61698.68359 158568.5156 184543.3125 87083.13281 222628.4688 152843.9531 65677.85156 161860.9063 148617.7813 53018.30859 248335.3125 194398.1094 47385.12891 192187.9531 217695.8281 68282.21875 164227.4219 233035.125 69556.44531 199881.0625 227631.9375 76426.14844 262154.9688 174273.4375 56943.78906 173874.8438 136256.9219 65476.68359 147993.0469 160497.3594 55862.68359 195336.4531 156346.9375 56336.38281 200451 184041.8125 52026.88672 148635.9063 208458.7344 73166.48438 161110.125 180600.1406 53786.84766 153334.0313 219956.2656 58086.78906 191075.0469 214922.9375 58251.625 222142.2031 113561.5625 77914.17188 202609.2813 172665.5156 51567.20313 195768.1406 157589.5781 48490.98047 155893.2031 175676.1406 64645.75391 142954.3906 255649.8125 94423.04688 203637.5938 228080.0313 62482.96875 169421.6563 204141.4844 61133.16406 204781.6094 170185.9531 51814.1875 2,3-Dimethylmaleate 93012.35938 98578.00781 53777.49219 91994.63281 70878.35938 166736.9844 100390.2734 101292.5703 119407.1406 137605.875 73302.83594 97046.65625 260407.3281 396147.2813 444459.6563 504582.6563 621507 574012.1875 851823.5 706132.0625 786997.5 750180.5 875765.125 782801.6875 98806.32813 153680.3594 198763.5469 204459.1406 59128.29688 134221.2813 65613.49219 117533.6016 77721.45313 124688.3203 160274.4844 112981.3984 316791.6875 446668.9688 434000.2188 629882.1875 609450.4375 582166.5625 675542.0625 774274.9375 794608 803755.5 947739.3125 857248 73361.58594 62951.3125 109631.9141 91783.1875 129458.9844 178582.1875 99820.54688 97459.76563 102776.0547 82420.22656 93736.64844 95523.30469 298145.5938 511954.3125 599758 453224.125 721213.125 619599.3125 557867.625 747540.0625 715879.5 753015.3125 798453.1875 885581.6875 166792.9375 14363.67773 29267.87305 146856.0313 98284.14844 143878.1094 85336.96875 119901.7109 118672.7578 72129.625 99482.34375 75121.42188 408311.2813 603511.5 391427.7813 586822.6875 860750.9375 653646.5625 656982.875 1025654.5 784434.9375 646837.8125 939539.0625 911962.5 2,4-diamino-6-methyl-5,3'-(2-trifluoromethylphenoxy)prop-1'-yloxypyrimidine 82395.95313 93332.71875 115792.2813 103183.3672 76682.59375 134100.3438 112918.1797 75758.00781 117078.3672 89840.63281 83184.36719 110849.3047 100412.4766 118115.2266 146368.2188 159593.2969 123189.2031 124360.6953 150736.1406 175067.7813 171890.3594 132731.75 136806.8125 110929.4531 89131.91406 71372.8125 111629.6641 84408.90625 91929.74219 99242.27344 84006.90625 93576 126973.7109 104446.9063 98027.17969 114657.9688 116582.7891 117257.875 122103.125 165660.375 162176.3594 115587.4609 110863.9141 148707.1563 124141.9609 170608.0781 159179.4688 119588.8516 94311.53125 90513.60938 89189.54688 81545.30469 105974.1484 102576.0859 105707.0859 100925.2969 111594.3594 101969.7344 89007.94531 104473.0469 130901.1016 128411.1094 228617.4375 123864.8828 148622.6094 130169.7266 110063.2891 143368.4688 127607.75 125793.2266 145555.2969 128660.6406 124094.0625 89646.17969 98383.11719 87326.22656 85390.78906 112904.4688 106335.8281 78814.47656 108774.8984 105279.4531 89793.82031 101077.7578 137884.5 139481 103019.5 131181.8125 137513.9531 148986.9375 127071.1094 125584.4141 120081.0938 130821.25 145512.9219 125593.6797 2-Amino-2-deoxy-D-gluconate 26176.3125 23939.11719 51178.03906 31791.77148 24732.38086 36927.04688 43034.80078 20646.20508 60584.87891 28568.47461 26604.92578 78125.34375 70444.67969 92172.10156 78741.03125 71518.9375 89603.49219 98609.79688 46297.1875 106168.0313 57352.41016 78388.46875 92589.35156 53845.25 25455.41406 17905.45703 50513.27734 36723.72266 21304.74609 37904.4375 39852.17969 24871.45508 75867.10938 25783.49219 27818.92773 33415.99219 66840.54688 71700.29688 123479.2891 88263.41406 85368.64063 53633.6875 57883.81641 80698.19531 96142.71875 61596.32031 77006.01563 50484.00781 24296.82031 17235.60938 36123.34375 30765.62695 32612.32617 71385.78906 31732.12109 17910.29297 32999.07031 40112.375 23320.2832 52982.28906 51588.66016 76032.07813 161359.375 82077.49219 71956.60938 68748.97656 66626.69531 93515.64844 67228.65625 38297.29297 67644.57031 64753.49609 37214.1875 19277.03125 45447.97656 29331.65234 26435.15039 64737.96094 37253.51563 30611.37695 38853.97656 28040.81445 19150.57227 65443.52734 62833.17969 53817.87891 84405.11719 69983.49219 80626.67969 64192.52734 70260.10156 77641.28906 120983.7109 92024.07813 59745.87109 80638.39844 2-amino-2-deoxyglucitol-6-phosphate 37265.04688 29489.16602 202082.625 51804.42578 28744.42578 185986.2969 69800.8125 34115.41406 296671.9688 46951.56641 63154.98828 296162.1875 198646.8906 163563.0313 345698.6875 189518.1719 214074.9375 272958.375 119440.9063 252600.75 252801.3281 168042.1094 139994.8906 305764.3438 50316.33594 30522.53516 188501.6875 62829.07813 28930.60742 277578.9375 75951.79688 53562.14844 296044.5 92253.33594 77022.89844 261522.7031 198279.125 247039.4063 408481.6875 145712.1875 205969.125 304854.8438 212955.9219 193878.25 274639.0313 265864.6875 205162.8125 229734.5 49083.64844 37946.64453 267109.8438 35979.19531 36590.45313 269391.3125 61996.16016 40483.71484 231925.9063 75433.14844 55540.80078 222991.5 161122.6406 234305.6875 675940.375 132149.875 155551.8438 194723.6875 158893.0625 177208.0781 253158.8594 159306.6406 156032.9844 240925.5156 59402.10156 26071.67578 206610.4531 63850.38281 29736.26758 277211.5313 75673.58594 31001.26172 211086.2344 72293.8125 54819.01953 248009.5625 129147.0391 202766.4531 437599.7188 193863.9844 252076.5625 364103.4063 146159.4688 162118.8438 233461.6094 195471.2344 151554.0625 304269.3125 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 56651.12891 50987.53516 33167.86328 74143.32031 48129.14063 68842.20313 52443.54688 62621.98828 40500.74609 45307.49219 76998.64063 46552.69922 54420.13281 76394.21875 38425.91016 61646.20703 99214.0625 32379.91406 90562.11719 92597.21875 50636.17188 90515.14844 132904 49443.53125 45281.33203 50157.14063 46198.78516 67684.70313 54492.17578 38777.4375 41235.17969 54770.78906 44182.4375 61777.30469 82668.625 43296.84375 54522.47266 82255.25781 42783.08984 71191.08594 93340.48438 36790.15234 77039.10938 96994.86719 33615.66797 119056.6328 152698.4375 44740.64844 58369.53125 75696.04688 39599.79297 49049.48047 60368.14844 35565.62109 51335.36719 63934.55859 37323.29688 62313.41797 62718.40625 46354.23047 52829.76172 76401.78906 61558.17969 67280.53906 116699.5469 37188.83203 65961.17969 108750.2188 42227.05078 100163.0859 133194.0469 40709.44922 60231.42188 45831.99219 35329.82031 64821.19922 80104.82031 45257.69141 68034.74219 60350.89453 41268.21094 61626.08203 76445.45313 33466.41797 68746.89844 80340.89063 30130.61914 94433.44531 90471.89063 38623.82813 97204.52344 123861.0781 39562.67969 80457.24219 148887.8125 48374.05469 2-Amino-9,10-epoxy-8-oxodecanoic acid 38423.28906 37882.57813 76011.50781 56516.72266 42347.70313 59338.14453 58926.61328 37221.21484 50123.30078 52945.90625 44625.17188 70626.78125 73692.96875 67259.86719 70951.42969 79923.73438 57709.15234 81003.44531 59274.40625 62796.75391 87357.02344 52846.21875 41636.89453 78231.35938 51949.91016 35192.01563 42824 40797.31641 38054.26953 94395.61719 42659.00781 47426.47656 88340.375 61721.44141 52090.19141 72048.52344 49881.33984 60406.44141 66691.46875 63460.95703 69735.73438 68552.53906 65029.45703 94657.92969 76812.84375 83524.1875 69767.8125 81530.03125 48570.62109 48260.29297 77017.60938 41224.19141 47476.82031 71874.52344 63899.625 47601.8125 79124.74219 40675.46094 53709.19531 69251.61719 38934.50391 86097.71094 111356.7578 50654.875 67493.875 72125.07031 65314.55469 65894.92188 63079.10156 46930.86328 75993.6875 73525.96094 46158.56641 51766.73438 69380.57813 55022.73047 44852.15234 109659.4453 56508.61719 53203.12891 52439.125 67228.74219 41331.96484 65638.17969 44125.80859 71909.53125 94815.32813 52183.70703 65367.77734 76468.1875 49083.37109 96572.41406 72554.57813 76666.57813 70451.51563 61517.85156 2-Aminoacrylate 91645.72656 89106.34375 76724.64063 73608.00781 78117.54688 147780.1563 80233.42969 77527.10938 88102.64844 73347.25781 70978.60156 96571.95313 68376.4375 55407.84766 57634.71094 74588.04688 86373.25781 75785.29688 258981.7969 275368.3125 75556.98438 108905.9453 79808.89844 75244.91406 65378.56641 59709.30078 84061.60156 55170.35156 67944.125 69653.22656 77661.14844 56969.625 80341.28125 80146.65625 68265.57031 79706.25 234956.0313 205459 73106.97656 62399.5625 72703.44531 54845.76172 71219.34375 83401.04688 64854.56641 96204.35156 71814.625 79551.53125 83854.75 50974.16016 70579.32813 54395.95313 88736.67188 68764.39844 75993.60938 76955.64063 83639.8125 86666.66406 57764.34766 63588.85938 49944.28516 59790.08203 111555.4141 219953.1094 266858.375 90690.79688 292685.9688 309770.3125 96082.03906 80217.32031 70806.63281 110682.9531 75946.73438 70509.71875 83204.67188 89879.94531 50978.61719 141802.8281 95003.39844 62551.98438 128807.4844 84759.16406 74654.32813 74243.90625 61111.40625 228872.1094 65156.48828 84133.61719 97568.74219 90163.11719 54401.48438 73263.60156 81306.16406 88386.9375 73534 71137.20313 2-Aminophenol 139449.1563 94367.03906 190618.7656 0 101898.0859 168874.7969 156449.9688 182392.8906 160331.0469 165804.9375 165120.1875 175907.3594 134455.6563 154975.8438 181506.2344 76115.85156 201437 208439.1719 149662.6875 163916.2656 175527.375 103791.5469 151899.2188 0 165964.9531 173502.5938 219025.1406 157547.125 185441.2969 185493.9219 143890.4219 161221.7969 169336.5156 0 160606.875 178217.7969 118079.4531 179087.5625 196609.5469 0 198673.8125 166783.1563 0 137707.9844 169674.5 0 170575.4375 170010.8594 0 169680.25 158710.0313 127891.1641 115062.6563 170453.1406 0 182594.2656 203225.8125 0 153344.2188 168818.6406 121268.9219 131673.0781 120466.8359 137780.75 144839.2813 206248.3438 154651.4219 131483.7656 173961.8281 159886.7031 151268.5156 161983.4219 0 196597.4688 179935.6563 150428.2031 159611.9688 202420.0781 0 158800.5938 165073.4688 141908.2656 94656.96875 168415.6563 119440.3516 180292.0625 192991.5 89853.67188 129020.5703 176116.3594 0 159246.0625 174584.8125 0 153595.5625 155877.2969 2-chloro-3-methyl-maleylacetate 8897.868164 4998.675781 9146.99707 4462.061523 0 11648.30664 8258.492188 0 4654.555176 0 3721.580078 3340.500977 99667.60938 136721.6875 184475.0156 162892.125 206476.2656 213766.875 547822.0625 233760.5781 361942.4063 208575.25 373616.4063 204094.625 10042.98438 2824.221191 5185.591797 4526.72168 8054.914063 9459.387695 5041.098633 3717.424805 9739.610352 4101.054199 3559.415527 4821.97168 115194.0234 230939.9844 107658.7109 283484 281897.5313 248500.1875 239374.5625 321630 237334.375 349551.7188 560568.75 236398.4063 4624.751465 3861.991943 4612.261719 3942.783203 0 10669.05566 5548.445313 3738.222656 9384.147461 0 2594.279053 9191.254883 155125.1094 202744.3438 217316.625 178508.7344 216469.0469 199029.6094 185090.0469 226755.7969 357655.7188 239971.0156 360284.5938 178222.6563 11503.1084 4155.162598 8894.086914 10926.94141 5903.079102 4460.543457 8231.453125 2918.86792 9284.50293 10735.2666 0 0 204076.0156 162147.625 119079.1875 185435.9375 269092.4375 223154.75 223148.4063 287303.75 256763.7969 254681.0469 403494.4688 243332.4531 2-Ethylhexyl phthalate 947845.875 1539907 1386787.5 1046830.75 1546587.5 1483649.5 1285310.75 1246097.5 1659231.375 1288136.25 1046213.563 1436066.5 843121.5 1155693.125 1601950.25 1278671 1524922.25 1329960.375 1077835.25 1380493.375 1513048.5 1136670.625 1348012.125 1366452.375 789313.875 1210849.25 1821127.375 832386.8125 1340868.25 1613621.25 974258.75 1288373 1319394.625 1009295.688 1274264 1162197.875 1210512.5 1134887 1702060.75 1294159.75 1232627.375 1470755.875 1025460.875 1590436.125 1467944.75 1441928.375 1139107.5 1351130.25 1089437 1317960.75 1382645.375 1032548.313 1445347.125 1312549.125 947759.3125 1578360.5 1055055.75 1086178.625 1080266.375 1175188.25 825928.5 1374768.5 1325949 832890.4375 1046503.125 1363744.375 881218.75 1422486.875 1226125.25 1058494 1179001.25 1353716.5 1076354.875 1241649.25 1313197.625 1140300 1316657 1771380.375 1053455.375 1637066.75 1465292.625 845188.9375 1607118.25 1416036 990933.3125 1170779.25 1333508.125 1576125.5 1421960.75 1304983.5 1801668.25 1267426.25 1730046.375 1136797.125 1335998.125 1487032.25 2-Methylbutyroylcarnitine 67460.34375 68048.16406 145067.7188 71082.61719 71691.74219 150774.2813 83923.48438 69188.46875 160156.1563 69987.92188 58899.43359 162918.3594 138563.1094 173861.25 257186.9688 152805.9531 178006.6875 198953.3906 123453.6641 165899.1406 240524.5 134622.2813 133640.4063 207747.9531 62104.80469 51476.20313 182174.7031 75140.55469 56422.73438 152309.6875 77850.35156 59431.54688 140124.7969 68266.875 71754.16406 149676.9375 148008.5781 159536.2813 212864.4688 131834.5313 158739.1094 217238.4219 135860.7031 181281.2656 204994.2656 149394.6563 139059.3125 207136.3594 73550.03125 61127.69922 151992 68203.98438 62168.50781 149873.9844 68779.44531 59527.46875 146950.1094 79828.42188 57230.27344 154182.0625 115620.7266 149872.9219 370820.375 116989.6719 162509.0156 235307.9063 144729.5156 167239.0156 197741.1406 135684.1875 149814.4219 215030.9063 70943.10938 56145.45313 140942.4844 64858.49609 66415.625 176101.8281 75310.26563 69345.35156 140869.625 56416.54297 67792.53125 146781.3281 129892.7656 190521.3906 254443.6719 165556.9844 164244.9219 245509.2969 140889.5781 169194.7031 198194.1094 148546.25 158550.875 199384.1719 2-S-Glutathionyl acetate 32638.51758 25804.99609 22837.56641 49471.96094 29958.65039 40394.29688 37331.61328 26003.58203 34730.67969 31514.80273 26527.78125 21919.00977 55157.0625 72372.92969 49454.625 87455.20313 79309.95313 55004.84375 113615.6875 101156.8828 60329.6875 103415.7813 79628.46875 54418.23438 34534.05078 21624.25586 23814.53125 37272.94531 30196.98242 28134.29297 41125.53906 29462.3457 35159.33984 40698.95703 33310.72266 28830.25586 62972.75391 69080.91406 49187.51563 79105.125 90104.75781 47320.89453 121490.3828 82762.03906 56835.80859 107696.1406 111814.1406 52573.44531 32700.80859 27092.54102 27154.53906 31785.27539 36919.78125 32364.38672 39024.39453 41126.48828 32872.20313 49969.40234 32883.92969 30988.20313 52777.78125 87578.21875 57669.34375 42669.45313 99570.0625 49705.07422 69819.00781 118406 41452.07031 85831.46094 112770.9688 43654.03906 31277.61133 24835.79102 35602.6875 46194.98438 34671.49219 29982.35352 53473.98828 33267.08203 34183.66016 35966.82422 39504.19141 37689.32031 71178.625 79969.36719 38842.28906 89166.74219 94044.98438 43398.13281 83510.01563 115995.0547 61980.39063 98506.21094 116377.8438 63531.76953 2-trans,4-cis-Decadienoylcarnitine 90512.28125 89757.5625 78800.51563 99771.60938 100419.3828 99762.59375 85857.20313 93932.75781 92993.77344 99206.9375 93071.07813 101359.7813 69753.07813 100506.0078 119399.6406 112416 101505.2109 81475.0625 88659.04688 97450.57031 73160.5625 89290.32813 93436.39063 75077.27344 83874.72656 111255.1406 87489.83594 91531.45313 66079.10156 71952.69531 77903.69531 84491.64063 80378.625 88465.28906 84987.28906 94934.39844 82531.40625 105453.0703 83787.36719 71268.60938 93979.83594 114853.2422 95653.95313 94825.96875 82666.10156 89813.35938 85210.82031 80716.14844 75352.14844 67743.85156 65064.82813 62825.08594 91847.38281 96496.15625 88525.20313 99506.72656 85428.28125 96243.47656 82503.88281 82615.00781 92899.42969 90176.14063 90126.66406 78156.02344 93310.07031 90989.25781 66553.41406 77306.86719 82837.36719 75253.11719 103370.3828 57725.92188 93904.74219 86898.97656 78265.07813 83470.36719 91259.33594 88245.82031 97523.97656 98197.78125 85229.79688 82657.27344 82078.48438 111897.9688 70161.84375 71146.97656 120224.7734 92617.69531 92060.08594 87508.98438 90081.61719 90625.38281 85808.88281 92644.88281 88958.44531 93386.51563 3-(4-Hydroxyphenyl)lactate 110197.9453 103638.5625 88832.35938 123704.4844 100256.8203 109619.2969 100661.7031 111513.9922 116621.7109 119556.0703 111421.2969 127049.5781 74162.29688 119155.7578 132865.2813 115620.7578 117185.2266 109678.2813 111872.1406 103389.4766 98012.95313 102526.2734 138396.3594 117164.0469 93143.14063 147938.4844 119235.6719 133783.4844 81200.77344 101904.5859 92965.00781 103203.9063 101029.7266 115306.4922 98006.53906 120520 115313.0313 127431.5 102901.3047 78448.72656 105190.5469 120392.8906 98701.94531 101771.5234 93339.41406 110004.4688 96117.61719 107040.8594 105955.1875 84161.33594 85031.60156 88296.32031 108242.7734 112916.7891 116039.6797 119389.5313 106096.2188 105011.5078 99955.39063 85590.36719 94703.80469 128790.7422 112217.7422 92544.625 108210.8594 116791.4219 98492.40625 94409.42969 107550.2422 97882.89063 146799.3281 86591.28906 107042.2969 118562.0391 96909.17969 85658.85938 101827.3203 129636.3984 116024.1641 106556.7422 103898.1797 107508.7031 99688.35938 134624.5469 73997.57813 86611.78125 127675.6094 123037.1875 109871.0234 116568.6875 112070.2969 102864.8281 100134.8203 121795.6094 125767.9375 107305.5469 3,3',4',5,7-Pentahydroxy-8-methoxyflavone 390689.3438 259932.6719 164496.3281 214221.4688 184331.4844 180912.9844 119717.9219 285553.25 202201.7813 131203.7344 201560.9375 281787.0625 251326.8438 175929.1719 269023.5313 199214.3281 254080.125 320263.8438 339519.5 285136.9688 415280.9688 386174.75 303893.9063 447985.125 304804.1875 155459.375 174769.8594 365048.5 282386.9688 314326.5938 458254.5938 294643.625 253816.0156 159678.5938 372909.625 278370.4375 123254.0625 240440.4688 218125.7188 147594.4844 300140.5 356382 236401.6719 285873.2813 437445.5 181870.0313 360014.4375 382619.0625 156632.375 340596.0938 123324.7578 311183.4063 178508.125 186595.8594 236627.0469 291568.375 230292.5313 165987.1406 224145.7656 249696.0469 185969.75 243054.5469 257310.0469 282492.7813 228648.375 313251.8125 286810.5313 326083.5313 375517.5938 454889.5 358831.7813 332355.3438 225006.0313 276542.0938 151266.9844 259228.8906 237653.1719 233275.4063 160640.5313 210483.3906 213094.5625 344121.4375 157389.25 268465.6563 212263.7969 222574.8906 312459.4688 148128.125 177288.4063 363083.25 154848.2344 315674.4688 461083.5 288521.6563 418177.1875 480411 3,4-Dihydroxy-L-phenylalanine 38069.96484 41441.10938 219144.0625 318669.9688 272802.4063 156713.0156 149795.0625 458124.0625 199902.6406 175998.7656 199614.5 264679.875 102576.3203 629982.125 118263.1719 174223.6406 246491.0938 161334.7031 65402.89453 154558.125 45233.44922 225952.875 47520.55078 40695.66406 106003.4141 202692.4688 202487.0469 143925.375 275948.6875 164778.4531 25181.51563 24983.6543 46949.60938 191938.2656 169727.4375 174415.4531 156695.8594 245785.3438 152869.7031 132583.4375 196059.0156 254394.125 222118.3594 291427.4688 252935.2344 166582.5938 142783.5 144370.7344 51186.47266 386117.75 28779.13086 264394.3438 206756.1406 199772.3438 197187.0938 196155.0313 256085.8281 104322.7344 48660.53125 166239.0156 156049.0469 49356.58984 49465.92188 155571.7031 224331.0313 157788.8438 22915.55273 44161.34766 51309.10938 149444.4531 164210.4375 178316.4844 151924.4219 340447.2188 374696.0313 41530.46875 46619.00391 321324.3438 219806.7344 116577.9297 221699.2188 414929.8125 115720.4688 178981.6563 68859.0625 375350.5625 315302.1875 292589.2813 418801.0625 147860.0469 369375.6563 164560.1719 299461 97440.89844 128832.1172 129765.9375 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 917645.6875 2702064 582033.375 729076.3125 2494426.75 3865041.75 1459871.125 942412.625 1311819 1870732.125 552625.6875 2019148 2324698.75 439842.6875 1668870.75 1089222.25 2474421 4272997 314102.8125 3310740.25 3591498.5 2133319.25 317148.625 2935662.25 1767805 911425.5 3785209.5 745907.3125 1042890 4002578 2498702.25 1463428.375 2586955.5 2511321.75 2357353.5 939333.3125 1395802.375 1592828.875 3421501.5 527937.75 1710031.75 4570735.5 1614788.75 4153632.75 1475184.375 3440354.75 1641257.125 1635151 1678958.875 1085167.125 1781961.5 887977.75 1729909.625 1461962.25 1149534.625 401439.875 628743.4375 715200.5625 1568154.375 865984.4375 1822228.25 1005555.375 5984207.5 330144.875 3424726.5 3642656.5 928011.0625 2737990.75 2852909.5 1955667.25 3718091 1476696 836690.6875 2603159.25 2405883.5 702271.25 1764681 2871284.25 776800.5 1648845.375 1467380.875 1424452.75 2736950.5 1190126.625 227066.4375 379554.2188 147096.8438 609355.5 2575820.25 3892772 1250509.375 479567.3125 3633526.75 2536954 706806.5625 1438445.125 3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol 79983.92969 40072.49219 55215.00391 57969.53906 88112.51563 90258.53125 33054.55078 82205.30469 85294.19531 53647 61888.54688 60636.15234 15944.93066 77700.23438 37304.35938 81736.97656 75410.86719 58225.82031 20294.58203 25195.18164 76940.55469 20329.17383 102941.25 37630.37891 93281.57031 130552.4922 40580.08594 92190.35156 61704.03125 52665.74219 21372.59961 80937.44531 125486.9375 19994.49219 104926.8281 54361.12891 38107.74219 44378.43359 217848.2969 64764.83594 172478.7656 210553.2656 82403.26563 78032.27344 158716.7344 29204.88477 39671.28516 27743.60547 69581.96094 87334.89063 47374.62109 14793.90918 45308.83594 139456.2031 47959.79688 116580.0391 35446.86719 62527.92969 63369.01563 64121.22656 43766.21094 19658.56445 39242.15234 57030.45703 93423.09375 72348.51563 43367.0625 39034.00781 147799.625 13121.01953 28393.08398 54669.76953 62640.73047 49129.08203 64142.72656 63927.21094 46542.57031 238869.0781 53309.32813 47235.47656 65838.63281 54573.23828 136949.9375 23618.67188 32464.40234 63397.39063 88667.96875 99107.6875 41854.23047 62993.92969 72100.21094 130278.625 40805.86328 19234.84766 95442.32031 110186.1328 3-beta-D-Galactosyl-sn-glycerol 106669.8359 141957.0156 245150.9531 236289.3906 142426.2969 256901.5781 193586.25 164010.4844 295148.4063 129209.6719 155760.6406 274579.1563 173977.0156 232790.8125 248976.4375 171958.7188 212406.5625 259895.625 111488.9297 296145.5313 268064.5625 169636.7813 287865.625 235688.7031 133348.3125 106353.3203 289648.6875 127582.6406 135987.4688 226823.1406 166440.7344 157539.5781 255596.2031 159448.0469 149267 253200.9063 130407.3828 181551.7656 260441.5938 163525.7813 286069.7813 308611.375 238194.1563 155917.9219 273034.0625 123766.2188 197469.4063 300196.5 171443.6563 145204.7656 227848.375 140201.5625 129965.6406 241777.4531 126849.5469 146684.5781 280477.75 169566.1875 94895.11719 273936.0938 147111.0625 194604.1406 432235.4063 42626.26172 36808.37109 74836 176345.25 203061.3594 326912.4063 143249.8906 245230.6406 222006.2031 137352.3906 128193.0703 185858.1719 159832.0313 130240.9219 245218.9688 192434.8125 133504.2344 214945.7813 182410.5781 170764.4375 348820.9063 142900.1406 233447.9375 265409.6563 205890.4531 336764.9688 194954.3125 296241.9375 292550.375 276692.4375 177956.7344 189233.2969 231347.6719 3-Butylidene-7-hydroxyphthalide 64371.07813 61313.70313 119377.2969 106864.9844 99498.72656 114033.3125 85579.875 116043.7656 129601.1953 97199.39063 91918.75 110416.8125 76498.36719 105823 105856.8594 103143.1875 127077.5625 123331.25 87599.1875 65697.72656 139894.1094 104029.3594 71293.35938 134274.7188 91391.00781 112397.2891 150579.8438 89364.54688 123194.0391 104668.2969 60482.90234 69003.1875 103857.5313 119591.7031 70473.28125 83478.49219 117199.7344 115022.9922 159255.8906 106387.1563 115919.6875 95706.89844 82795.34375 101994.8203 151466.9219 115132.7969 108050.8281 129028.0625 78975.98438 111904.1563 153680.2031 91470.98438 90358.21875 118360.7266 69338.90625 108906.8438 133662.3906 116102.4531 84566.42188 129514.4922 78968.14844 68726.89844 108485.0703 68614.10156 87519.25781 106882.6875 65821.50781 129856.3438 85140.8125 134695.625 124572.4219 117319.3594 71675.46875 75409.59375 111315.4375 83924.32031 104631.6875 118060.1016 91437.44531 111572.9688 152644.2969 79169.40625 143017.3906 164337.2656 95818.34375 119115.7813 120648.2656 75057.09375 126725.75 117257.9219 114066.8984 132025.2188 87325.03906 77544.53125 95125.21875 155118.9063 3-Deoxy-D-manno-octulosonate 8-phosphate 146458.9844 47452.5 139004.3594 95164.05469 45922.04688 189336.0781 69916.84375 46842.82031 193856.0625 103008.4766 44061.63281 199606.5313 254766.75 367140.6563 313873.9375 390241.0625 342770.5 490175.1875 258116.6719 433665.0938 449605.4688 525876.1875 416254.0313 564412.0625 101926.4688 67696.58594 170625.1094 77217.63281 53720.68359 189798.375 87615.10938 41811.94141 174159.2813 105738.3438 54789.78125 160696.2656 385077.7188 335064 384233.9688 309073.0625 309624.9375 399557.2813 362469.9063 450075.2813 465100.125 538790.9375 369203.125 454464.8125 113978.6953 47027.13281 145406.4531 53768.76953 51618.82422 142217.7656 107121.0156 51768.47656 157994.6563 89827.44531 41726.29297 123774.8125 256805.4531 326973.25 568011.3125 332195.75 315722.3125 530581.125 381037.4688 444054.625 506502.4063 534547.875 490000.9375 401413.4063 117170.6484 46569.86328 144034.7031 105779.4922 40944.42969 209192.0156 104643.8594 51013.32813 163906.8594 94154.70313 65724.9375 179575.7969 322381.5625 361965.2813 403855.7813 412635.7813 522415.8125 543639.8125 309346.1875 421821.1563 628463.1875 584380.4375 487480.7813 566311.9375 3-Methyl-2-oxobutanoic acid 80193.67969 74717.83594 89703.125 90955.10938 118707.6641 89655.10938 185656.1875 76635.70313 62997.86328 105197.6641 68444.09375 102218.7891 246126.6094 140770.4844 106976.1016 209660.1563 205054.8438 97529.42969 259817.2656 285303.5938 139583.9531 183518.3594 179040.7656 129620.8281 103495.2969 80826.875 80867.5625 85336.35156 98757.0625 59169.3125 79477.39844 110557.3359 82736.1875 92769.60156 80238.13281 100432.6563 149958.6875 254196.4375 189987 174833.3281 200742.4063 117452.1719 204135.9375 234329.4063 139785.25 226524.3438 152188.375 76116.1875 83410.17969 84244.33594 82545.32813 84000.25781 93879.85156 80564.76563 102515.9141 77561.22656 102843.8047 144765.0156 64439.16406 46377.77734 143988.8125 274201.25 201430.875 167158.7813 150100.5313 125242.9688 280046.25 211092.8281 89235.40625 136431.6094 197958.6094 96897.92969 96500.5625 95683.82813 83060.39844 136663.4531 97438.51563 90763.11719 80591.67969 133303.4219 62196.89453 175538.9531 59208.63672 97596.16406 113543.5313 180881.0156 128913.2188 185423.7656 160100.6563 151517.1406 220799.0313 207663.4844 132588.2656 218697.9375 186344.0313 160704.7813 3-Methyleneoxindole 51516.74609 31835.78125 54126.99609 45117.9375 40900.15234 51688.45703 47429.50391 55818.06641 55294.51953 50632.54297 40638.38281 71327.73438 55642.44141 62297.34375 51528.32813 55469.00781 64088.33984 59751.55859 47382.19141 70833.38281 49592.70313 62971.78516 72647.17188 47555.98438 42678.68359 45322.51953 53134.18359 44712.01563 48876.43359 54493.77734 56813.35547 51688.01172 63888.61719 66798.32813 60259.08203 61690.77734 55115.125 66034.89063 74152.20313 62502.76563 60258.62109 68832.61719 51818.32031 69605.65625 52745.33203 51302.47656 59777.69141 53733.30859 47526.30859 41562.38672 48712.95313 39274.46875 37246.54297 49358.56641 54451.24219 38332.04297 42622.50391 51175.35938 36413.28516 49927.75391 53622.89844 59493.24219 107150.3906 51520.52344 54763.85547 53516.83984 44061 68016.70313 42131.6875 42515.45313 55603.23828 61949.86328 49287.42188 41643.44922 54960.70703 42220.21875 37861.80859 62316.5625 42227.08984 38960.97656 49836.42188 42143.07813 41348.57031 57500.05469 39541.60938 42550.1875 58651.96094 51364.24609 59887.08594 40775.85547 49757.26953 62155.19922 60918.0625 57778.26172 64220.61719 50000.46484 4-Amino-5-hydroxymethyl-2-methylpyrimidine 60006.64844 79397.51563 149089.0781 85709.10938 120769.8672 106307.1484 80268.17188 99502.78125 135457.4844 92951.66406 128575.7734 194561.8281 57217.61328 160073.9688 112682.5703 62352.16797 87138.66406 150397.4219 70738.11719 96053.875 54803.66016 53040.8125 95331.25 127791.6563 44864.61328 81406.16406 74840.98438 70875.30469 112032.8281 118188.0234 57172.23047 122712.2031 75501.15625 78093.96875 107576.7578 126240.9375 72842.25781 128825.1172 130135.375 70486.64063 80370.30469 159017.9219 83892.89844 141875.2188 133520.5 54934.48828 120679.0078 128350.5313 54399.20703 84716.42969 129298.8281 69326.86719 74670.82031 127298.7969 78924.59375 101048.7109 116233.25 83906.48438 76447.64063 114916.5 59442.90234 76542.63281 82133.96875 61642.03125 75733.80469 128032.3984 42268.25 115307.0781 107733.7891 54200.63672 166839.6563 93684.45313 76990.6875 106998.8281 132191.6094 24422.2832 43764.25781 34074.54297 61906.28516 167847.0469 90006.44531 63834.12891 143816.1719 122728.8047 42732.51172 87501.6875 135665.3438 112419.4531 81713.6875 116256.125 48748.65625 77783.38281 107465.8984 104947.3516 109275.3438 158749.7656 4-Aminobutanal 111896.4844 87903.89844 99555.46094 129048.4063 105309.6953 128797.7031 157297.4844 157739.875 130757.875 126290.6641 101407.1641 118056.2578 52631.86328 75357.35938 121062.0391 75313.27344 72018.71875 64427.41797 79778.41406 72701.20313 65248.63672 68101.96875 77207.13281 64477.94141 109344.6406 100499.4531 125506.3672 135466.9688 80205.63281 125655.8906 93765.65625 123757.4531 129394.5156 150034.4375 103261.1875 140434.8594 52203.33203 67719.97656 71056.90625 53948.55469 75077.72656 65442.88281 48452.84375 57117.75781 83394.28906 71644.6875 71441.30469 62242.37891 78520.89844 135117.7813 102538.8359 102769.0156 103005.5703 157405.75 108447.2578 79701.30469 94243.75781 105367.7578 114808.8281 131977.4219 72905.14063 112347.2578 80960.69531 73343.46875 49769.53516 100354.875 70113.23438 70183 58293.73047 50418.08984 57075.30469 60225.00781 178782.6563 152386.5 146965.2188 141067.6563 99141.07031 129654.6563 151259.25 95601.1875 122583.7031 96798.11719 168544.3594 140786.3438 95604.29688 74611.10156 48486.44531 52119.34766 76533.07813 66863.50781 59838.60156 66199.29688 91563.25 51946.16016 89869.67969 65544.36719 4-Aminobutanoate 152883.2969 138355.3125 144590.0625 164137.9219 207894.1719 211389.8281 148006.8281 126729.2813 190660.7031 127430.1953 159764.2813 177510.875 243828.75 128260.2969 203577.3594 105621.8906 210721.1094 172874.25 145780.1406 149036.625 347919.9063 126905.2656 149861.4063 164374.7813 151470.625 116538.5938 166051.2656 173571.9531 124003.0781 135583.1406 123789.3203 149065.5313 168554.3125 111440.5781 151357.4688 166566.1094 177533.7031 164714.6563 181324.8125 164687.0625 147211.8906 165270.7969 208883.8906 154708.1094 163339.0156 133067.125 142416.9219 132949.7031 110938.8125 157976.5625 195911.8125 131125.9375 147967.3281 313951.625 140223.7813 134725.0313 133121.2969 161256.4531 156504.1094 147176.2813 107086.8047 151260.8906 163752.1094 123500.2578 121661.1406 153918.2969 153255.3281 141351.7188 131597.9219 125761.7969 174239.7969 161150.875 106166.1797 183186.75 165399.1406 103302.9688 137992.2344 264745.75 153731.6406 173188.7188 215710.8281 214471.4844 130418.1172 209703.7031 153638.0313 128722.7578 142741.0781 337315.7188 136491.9219 174450.875 104674.2578 149635.4375 222136.7813 177715.75 118353.7969 159597.7031 4-Heptyloxyphenol 40870.62891 92673.6875 91906.59375 11846.15137 39895.48828 60012.95313 49522.99609 106654.4141 124017.9844 97339.32031 133013.6563 114012.3516 44791.97266 216960.7188 69254.83594 53911.25781 87034.39063 86988.25781 131799.7656 96386.92188 107836.7813 44270.06641 43680.89453 31297.13477 38212.69141 86602.38281 100849.5156 28786.4668 121545.6563 196563.0156 58394.00391 66787.10938 62552.00391 59169.76953 88904.67188 73427.0625 60387.02734 109422.3359 111384.7891 14979.38281 63468.92188 78928.8125 82548.44531 38788.22266 177412.3125 67752.02344 110896.1016 46514.34375 31262.80273 110103.5391 65211.67969 32307.88672 91030.15625 112231.6406 70808.79688 155778.5469 91946.45313 68845.875 158074.5781 75094.125 19924.55859 76781.92969 75483.375 33370.76953 252412.2969 193573.6563 72171.67969 74872.46875 107498.1563 107158.0391 158669.2813 147229.0781 87205.92969 52588.29688 60528.57422 36852.875 28041.14648 79050.79688 97112.64844 57954.56641 19071.97656 43920.34766 58631.16016 136071.9844 82696.82031 71006.16406 69250.72656 61720.00781 85800.53906 58923.875 66503.14844 115758.5 80343.6875 43444.38281 75610.07031 171853.9531 4-Hydroxy-4-methylglutamate 57277.59375 71738.10156 63018.86719 60504.32031 34933.00781 62399.40234 54998.98438 35107.38281 56157.24219 27733.70898 23416.05859 47446.28125 49470.94922 60624.84375 96633.92188 67237.10938 56634.76172 108692.7344 114545.5 104515.9531 96742.67969 51743.13281 89897.10156 60361.25781 47902.55859 36162.87891 53557.03516 49408.50781 37348.50391 61539.74609 57945.54297 50930.73047 73279.15625 81305.15625 35431.92578 79535.19531 55689.32813 66280.78125 86435.5 66003.86719 101010.5391 51436.16016 56597.38281 76839.22656 69417.32031 60860.66016 56960.11328 62390.00781 41489.32031 56829.07422 46601.3125 56746.67188 26387.21094 59808.23828 54093.02734 46571.46875 35357.33203 50312.875 42121.03516 49340.10938 90096.98438 74630.13281 198339.7188 41419.82031 63178.15234 65399.40625 52647.20703 66574.60156 53796.66016 66086.11719 59276.38672 44980.23438 52190.125 46056.57813 68741.95313 68831.99219 31557.69531 67291.65625 43914.77344 43627.51563 56633.28125 57182.77734 58228.55078 72585.51563 99297.96094 46877.01563 59531.12891 60697.22266 86721.27344 48096.61719 68139.26563 80499.72656 115578.3047 82728.49219 72022.5625 55024.39844 4-Oxocyclohexanecarboxylate 90374.21875 77363.09375 66925.75781 101913.0859 99058.33594 105413.5703 95714.17969 74513.07031 88489.95313 82245.79688 75233.08594 87200.96094 70319.96094 82112.95313 108091.5625 118487.6797 101340.1406 104937.0469 110579.8281 92663.92969 79231.61719 117246.2188 95557.14844 75428.22656 62512.99219 93159.63281 84247.32031 83613.69531 134997.4531 81358.30469 80565.47656 105721.2031 99493.15625 92089.97656 87456.32813 78077.78125 111475.7422 53363.43359 88894.07031 96904.38281 99660.74219 93211.53125 86049.36719 72086.6875 97611.23438 91126.57813 98415.35156 83212.14844 90655.29688 86947.17969 87916.63281 93757.83594 110153.1797 65340.14844 90580.78906 78151.80469 75617.03906 126970.6563 73176.5 79221.8125 79792.51563 94613.89063 64907.89063 78322.59375 74365.4375 80042.98438 94926.71875 65392.21094 63806.59375 104166.3125 91793.16406 73943.8125 81733.16406 86227.17188 87303.99219 76880.88281 84310.70313 46734.80078 90042.35938 86379.53906 93189.69531 71040.14844 94127.14844 63738.66406 78729.98438 95785.96875 81106.38281 112881.9766 100278.8984 104480.7656 91928.76563 88997.82813 78017.95313 82834.72656 82547.40625 88603.17188 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide 151639.1875 139956.0469 159612.7813 226329.2188 109287.7734 135352.9063 149844.9219 142716.5 159925.2656 150583.3906 100400.1172 142733.4531 90688.28125 127065.5859 172345.4375 138585.25 144425.3438 99165.39063 98394.8125 120872.6172 114098.9688 123076 126674.1875 106452.1641 107246.6328 163297.2031 157169.875 101377.3281 115366.2578 152274.8281 142124.4844 141093.9844 298719.6563 160021.75 138288.0469 156084.4844 102637.9297 108640.6641 105224.8672 81870.00781 92199.38281 146832.3281 130018.375 135632.6875 139279.4844 97400.96094 107493.6484 123105.6875 125775.1094 173677.625 123573.3281 111082.0469 127306.0859 133259.0781 124710.6094 102806.1875 118521.4375 138120.6094 135922.125 171254.4375 122698.1016 174742.0625 119918.3906 89592.46875 71083.75 142005.3125 94608.05469 103029.9766 78422.14063 82101.98438 133800.8594 117595.9531 166687.6406 141686.7813 130943.8594 96809.3125 121320.5859 158367.6875 166248.1563 139428.0938 137330.2344 108500.0547 140648.875 113363.5938 92458.14063 176398.375 85099.76563 80320.75 141299.3594 126800.9766 87061.19531 102518.9141 187554.5469 131374.5313 110703.9375 98616.20313 5-Acetamidopentanoate 124575.4219 99479.76563 751115.125 120822.6406 83609.38281 213004.3125 186869.0156 133873.4375 1274085.5 149267.4375 96029.19531 272649.6875 171472.7031 185286.4219 1292239.375 230546.2813 217363.9688 878105 123086.7188 247444.625 1105166.125 222733.3906 208065.1094 1097684.25 108013.6406 100345.3359 244375.625 103451.9375 99490.33594 202102.2188 103327.7578 119993.5313 883875.3125 87957.21875 103699.9766 833842.1875 121219.5234 153076.2656 270936.0625 133012.2813 224034.5 244328.5156 205309.5938 186283.6406 272887.3438 212103.4063 316862.7188 1030248.063 190531.25 126838.5 848411.9375 117248.1953 115419.4063 800685.0625 139000.8438 110838 308703.5938 134892.5938 118264.7031 821488 93459.82031 195706.0313 297253.5313 137273.9063 162006.2344 226399.8594 170042.4688 160337.5938 226470.3438 147092.0938 157766.3438 867824.25 100942.3438 95583.53125 600913.25 90308.85156 95327.09375 309765.375 136109.375 143702.0313 195177.9063 120058.8438 155771.8906 227038.0625 247191.9219 161405.0938 811260.875 198539.8594 277679.4375 879845.875 164781.875 198429.7813 248539.9219 136415.4375 161764.4063 1198882.25 5-Guanidino-2-oxopentanoate 36708.14844 55886.57422 86824.46875 58705.44141 56699.03516 28315.88672 42381.89063 65309.68359 54023.69922 60774.51172 45043.61328 58450.79297 58787.15234 79377.53125 42693.86719 55854.07813 89613.21094 24922.78906 58873.14453 66998.39844 88011.32031 60015.52734 35830.96484 65427.15234 40850.58594 39838.95703 49256.80859 44086.25391 60698.39453 25440.97852 68782.38281 47884.53906 74317.5625 38854.83984 57250.96875 85967.82031 51300.66797 43021.47266 49066.19531 72090.08594 98364.96875 80547.90625 58496.78906 64211.36328 61363.01563 97689.5625 52941.69141 62486.28125 47425.71484 53608.53516 55950.20313 39692.64453 67680.67969 38257.80469 66263.36719 51902.375 51503.74609 58479.65234 47862.82813 65818.39063 38663.40234 57096.37891 106028.1094 51654.13672 157256.3906 40305.75391 69715.17188 65855.10938 42256.27344 50277.12891 67865.57813 38387.70313 39523.15625 123988.5 60861.6875 73633.60938 86863.73438 54742.48438 47502.125 35060.98438 56687.44141 46670.71094 83070.5625 54823.73047 31661.67773 89198.3125 61301.23438 128204.0078 92338.19531 67008.16406 79525.35938 48547.82813 77449.60938 117497.5703 50636.78516 81203.10938 5-Hydroxy-L-tryptophan 177636.7969 141103.4688 257527.2656 193033.7813 224576.7031 198985.3906 170642.9688 233154.7813 227931.6719 218675.5469 178916.1094 255956.3594 156675.9219 257690.4688 196708.3594 285098.7813 256338.7344 194495.5156 226449.9063 278622.8125 338773.125 213724.1406 267147.25 225306.25 158911.5781 157217.3125 236481.6406 221862.5 228652.4531 229423.125 236784.6719 190285.5 262202.8438 314230.3438 246932.0469 248032.5625 193469.9063 272647.7813 201081.2344 170699.2344 276736.875 236502.1719 220572.0625 264331.625 294228.375 290773.2813 260947.625 231205.7031 255777.625 142276.5625 209506.7969 144221.0625 197809.7813 267338.75 252343.25 213830.7031 219396.5781 240528.5469 176609.5781 270763.625 159120.4688 198476.25 288154.375 216863.2031 310100.5938 211167.9375 192025.7656 314387.8125 199036.9063 240958.2969 262319.9375 235149.1406 177211.4844 161764.2188 264091.625 233273.6563 167549.4063 308567.6563 319452.625 191621.5156 286810.6563 200757.8594 213856.8438 346786.875 113094.375 218147.7344 195867.0938 243025.3906 274756.375 234422.3594 241718.0469 272138.1563 279538.7188 227736.6406 247526.5938 259134.1406 5-Nitro-2-(3-phenylpropylamino)benzoic acid 292860.5313 229756.9531 275488.125 285623.2813 254577.5313 267082.125 235115.0313 299487.5938 288162.1563 272662.9688 151654.2969 258432.0938 226381.0313 373282.6563 251058.0469 283122.1875 299394.875 237868.4531 233217.5313 304344.7813 366726.9688 203449.6406 224170.3438 293882.6875 138281.875 364341.9375 284529.4688 227315.625 223522.2031 171849.1719 148686.2344 188560.1563 245555.3281 167710.6719 134916.4219 287587.6875 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94972.90625 95526.89063 219497.4531 65351.95703 124803.1797 0 0 0 0 0 0 0 0 0 0 0 0 60738.77344 30499.92969 34404.80078 80078.6875 49319.98828 44148.26172 105061.1484 44006.23438 61300.77734 123580.3125 43357.36328 58925.82031 0 0 0 0 0 0 0 0 0 0 0 0 62785.625 42355.38281 65968.21875 101385.8906 31856.46289 72864.11719 130487.2266 59823.53516 53684.9375 151735.4219 52840.10938 68986.3125 0 0 0 0 0 0 0 0 0 0 0 0 6-Acetyl-D-glucose 122445.7188 105945.2578 250039.4688 191280.6719 91334.35156 157262.7656 117367.5859 118138.5859 157909.7969 112534.4219 120709.0625 176441.5938 180787.625 155562.2969 185718.5156 138825.4375 139784.9375 159724.3438 151477.3906 132927.2031 152310.25 145315.3438 131900.9063 180988.9063 168569.7813 96626.90625 205060.75 129342.8984 126276.125 157709.5625 162148.5469 106115.3438 148280.8438 148503.3125 128887.8516 199197.1094 245509.2656 184500.6094 200072 225817.5938 139935.8281 208959.6094 148212.9844 128681.7969 148602.9531 192239.5156 138419.7344 194419.6094 134632.875 122656.5547 196704.9063 108664.7813 99602.625 161121.7813 163867.2344 101487.625 158725.0156 147574.6406 115881.7188 126856.7813 117658.9922 159415.2188 263071.7188 142815.6719 250347.625 183969.9844 155906.0781 174470.5781 125291.4531 108108.5156 184989.0938 113553.5781 106359.6406 141941.0469 213171.4688 139437.75 112771.7344 164016.4531 95240.16406 88373.15625 158269.0781 100025.3438 163009.7813 145167.0156 160815.9688 182526.2344 205307.9375 163603.3438 109133.6875 185197.0781 140076.5469 112349.6719 171517.9844 217756.5625 137048.3438 153126.2031 6-Hydroxyl-1,6-dihydropurine ribonucleoside 63971.94141 48208.39453 86395.46094 53917.69531 39930.36719 83719.35156 64277.66797 37284.01953 106375.6406 53074.94531 37095.70313 96938.54688 75221.41406 65299.32031 91301.53125 85700.67969 82287.66406 80650.67969 70534.08594 91314.1875 125816.7109 61245.85156 71826.54688 89735.85156 46976.94141 42548.19531 98554.29688 42549.97656 55035.69531 88619.95313 55990.60547 40673.28516 95090.96094 64664.28125 45345.6875 100669.1875 57933.83984 82582.48438 75243.34375 91971.54688 92150.57813 103325.2266 75677.51563 76275.40625 111470.7422 93379.28125 136908.375 108650.0313 51832.71875 44315.50781 82307.76563 48729.83594 48106.44531 68546.05469 52979.10938 50799.96484 75159.14844 58093.20703 51774.28516 83025.85156 67256.6875 97386.32031 121076.5156 106024.3594 73304.98438 95397.14844 80502.33594 72063.86719 93003.78125 95861.94531 87930.75781 85827.22656 53316.37109 43688.83594 65288.66016 43528.93359 47998.64844 95781.30469 52697.89453 40248.27734 65599.07031 46598.94141 45865.36328 88178.35156 80179.89844 104732.5313 91861.08594 106068.6797 94128.22656 79253.67188 92050.51563 117526.0781 95626.25 64199.86719 65502.32422 71166.71875 6-Imino-5-oxocyclohexa-1,3-dienecarboxylate 147613.9219 149876.4063 141748.6563 156968.7969 92131.95313 248767.7188 145472.4375 123746.7734 181454.3594 155179.7813 109360.9141 270809.6875 119973.625 114208.7031 234010.9688 209681.5 263639.25 269000.375 265232.2813 184152.4531 249781.5 243198.1094 158027.5469 258796.3281 123739.7891 110795.2266 259296.0313 72967.88281 96097.89844 177868.9688 118874.1719 103136.7188 189193.3594 167774.4531 102266.7188 170971.6406 287429.9688 118271.9688 206123.2969 130231.9844 166365.1719 118041.9063 152362.7656 188423.125 182805.5938 168914.1094 189159.4375 177206.4375 106838.3281 124631.1875 204906.3906 120042.6953 126611.0547 179645.0469 101334.8125 83360.70313 169606.8125 97320.46094 78263.28906 117068.9297 178805.1563 254083.5313 325926.1563 207711.375 128566.1406 375942.0313 194338.2813 176749.9063 298620.4375 203333.3281 172972 144310.7031 211429.9844 127376.1406 257347.625 118392.5078 84222.15625 327650.3125 145922.5469 111029.6719 184514.6406 129854.6406 124110.7266 227154.8281 313780.7813 219792.4219 177454.3438 201900.8438 231041.7031 224282.4844 114892.1172 142770.3125 231271.875 178326.7969 143829.9375 158955.3281 6-methyltetrahydropterin 115390.0234 61467.97266 69730.375 67499.0625 88829.71094 91713.36719 62020.38672 30444.61523 107916.5547 59836.04688 67480.88281 133681.1094 82691.39844 229782.625 101550.7734 121431.6797 109367.7734 120723.6719 140323.7188 95491.66406 101729.9609 125883.2734 170071.1719 168436.125 85599.21875 154760.5 111877.3203 85068.125 48088.28906 67788.11719 85121.35156 75639.67969 110662.4922 128072.8516 27289.88086 79564.70313 70643.24219 151863.875 95969.51563 125889.7578 117352.2734 137516.4375 147915.0469 191170.2969 79541.39063 115076.8672 223895.9688 156300.5156 71151.89844 79439.92969 75077.05469 98066.39063 52209.08203 85163.75 64418.65625 73779.07031 120297.5313 154299.875 64467.16016 147867.9219 124058.7578 131741.0469 145077.8906 130155.6484 98635.90625 158655.875 102349.5469 89882.27344 127894.0391 76415.8125 167890.1094 87562.58594 109833.4531 71094.86719 116152.4375 133033.1406 54014.96094 75970.89844 51683.84766 69194.59375 104801.6953 110948.7734 90669.32031 130570.9141 98679.21875 179783.9844 247005.3906 145223.7031 190622.2188 93669.67969 102895.6563 108279.625 147965.2188 82083 125750.9219 100467.5703 6Z,9Z-Eicosadien-11-ol 74492.0625 89740.83594 27757.39844 79307.30469 154188.4219 43031.39453 70100.33594 122436.1016 15817.46191 94251.84375 104970.8438 16086.13477 51132.36328 104744.3672 26156.53516 62809.82422 85796.82813 20202.43359 57751.98047 90318.54688 17449.56445 78650.83594 82924.95313 32128.75977 40096.32813 86767.71094 38361.34375 64151.81641 97066.8125 19802.39648 57602.83594 81102.39063 36105.89063 133229.1094 77883.67188 28178.5293 60829.63281 89826.89844 30113.56641 79900.83594 72672.97656 35694.01953 82144.98438 107635.6172 33791.05078 64732.06641 69060.42969 36740.73828 66840.07813 161640.1406 47858.0625 55289.1875 81602.59375 28426.38477 66901.1875 81139.69531 43116.06641 77679.8125 91937.35156 18856.67188 57170.24219 83532.875 55880.78125 54706.75 86802.50781 16021.63672 51994.40625 121247.0859 31188.02148 46239.27344 59050.53516 28228.65039 50797.26563 87390.64063 19569.26563 58124.84766 127163.4688 44884.46094 66550.57031 71569.80469 24557.43164 84322.20313 89289.26563 32967.57813 50234.64844 121106.4766 38852.89453 75039.3125 101033.6172 20561.96094 87311.99219 106619.0156 26575.15039 70593.78906 63577.71875 37326.45313 6Z-Tetradecene 77948.13281 61345.34766 100953.5469 86969.1875 175311.25 121427.3047 22733.06055 176764.4219 72445.67969 122200.1016 80124.74219 140369.75 37195.67969 111450.3516 102088.6875 161517.0781 96029.49219 41890.19141 25125.11523 77711.08594 65697.17188 58661.77344 42082.22266 40019.40625 101592.7813 103167.4922 159394.7969 153742.5156 79464.32813 133919.375 170053.1719 122189.4609 178674 114823.3516 100523.0703 219473.6719 74673.30469 86579.91406 31502.03125 48883.98438 129266.6094 39053.96875 70207.30469 220107.0938 94831.92969 114686.0156 205526.2969 57597.50391 229820.25 67812.71094 182648.9063 44829.27344 192531.6563 177377.125 141222.2656 107690.4844 203721.0156 147517.0938 73584.89063 58485.74219 61582.22656 0 149880.6563 67736.17188 47396.33984 65451.26563 35985.28906 57217.50781 36062.35938 78180.4375 72560.10156 71390.89844 105192.75 77635.64063 134595.0313 159017.5781 89250.48438 139485.9688 187686.7813 91679.55469 105439.9922 208272.8906 92063.50781 97218.09375 49626.88281 82793.99219 240999.5625 76249.53906 98896.05469 37640.92578 166212.1563 110925.0625 45671.27344 82667.75 111556.0859 96586.63281 9-oxo-11R,15S-dihydroxy-16,16-dimethyl-13E-prostaenoic acid 89396.30469 324857.7813 0 96461.01563 356157.1875 6289.212891 177509 419838.5 0 287741 366552.375 0 62122.69922 317206.3125 3575.692139 82632.67188 307571.25 4383.353027 101925.7891 307792.6875 6466.991699 320247.75 340129.7188 0 65355.9375 353542.6875 0 70193.38281 354253.7188 5142.780762 157939.0313 349384.75 0 298105.8438 356887.5 7000.144043 89309.38281 333494.2188 0 96430.54688 328282.375 8526.822266 158639.8594 372641.7813 8551.523438 239659.6563 308138.0938 5834.759766 101222.4688 393827.9375 0 63619.86328 297982.125 5148.041016 151972.4844 336201.8438 5117.513184 261485.5156 394188.375 0 56835.04688 329381.9063 5834.254395 76120.04688 293014.9063 10879.87109 117365.0625 333303.875 0 269409.6875 368050.4375 6855.728516 89544.25781 298790.8125 0 82192.78125 298339.9063 0 198935.7813 373898.125 0 178638.4375 361857.2813 4861.624023 70480.1875 341799.0313 0 97452.13281 327901.5 13662.90918 152061.6406 317803.25 7020.387695 287089.0938 340332.7813 6973.744141 Adenine 44771.92969 101463.5078 156690.7813 84352.42188 91286.85156 71944.39063 89390.09375 143416.8906 102747.2813 99887.53125 64476.96484 106311.3672 109906.3359 87230.07813 106295.6797 88460.69531 100789.4844 91691.65625 76484.96875 88127.80469 82631.64063 71390.95313 86075.6875 72408.33594 43267.82813 60860.75391 125674.6797 53001.56641 64174.41406 89032.27344 97643.8125 76466.04688 111708.6016 71479.89844 67945.69531 56133.46484 56638.65625 104495.3359 66775.91406 86390.9375 79456.17969 100807.6406 79269.3125 74179.625 73651.27344 106477.3906 86989.125 80723 64646.81641 78505.88281 145229.0156 67567.53125 84120.125 71738.52344 68673.05469 71741.25781 111281.8125 81444.16406 53655.35938 90531.46875 104872.0625 162563.7031 150256.1094 61859.73828 99941.21094 79812.26563 70127.98438 94669.16406 76613.375 76015.83594 67511.45313 79957.1875 81511.24219 72166.09375 151020.2656 80717.94531 50140.30859 105010.5156 104013.3672 69340.28906 111267.5625 59405.12891 63716.48828 108693.2969 55328.31641 113878.875 112112.1406 91852.20313 114680.9453 68734.82813 72639.84375 75878.8125 71995.08594 76492.65625 153025.4219 92608.71094 Adenosine 26481.49609 23523.93555 32547.3418 23522.63672 32173.76172 27545.80078 30727.64648 28810.72266 37445.68359 30748.53711 35031.375 49941.42969 43515.32031 82118.03906 68337.60156 35329.69922 69977.41406 56886.25 77602.74219 75669.73438 62159.27734 61722.46094 102379.5938 56617.10156 19640.35938 31625.34375 40525.35938 26967.50977 21207.64063 31599.70508 19636.68555 32816.37891 47750.32813 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344329.2813 355057.8125 307506.4688 314802.625 173774.1719 205605.5625 253916.5313 259537.4219 214939.3594 274418.4688 218237.25 215889.6875 237923.9531 239693.1875 180455.8125 310805.1563 259242.5 284244.4688 276164.1875 294530.7813 353115.2188 335966.9375 337358.8125 358849.6875 322033.375 309497.3438 335110.9375 272163.5 245776.5625 195143.3906 232074.8125 147386.1094 193998.5781 263364.375 208613.9844 225396.0938 256696.7188 205269.2188 216481.7813 314014.2813 270619.6875 297938.2813 513045.5938 265508.875 304121.0625 313231 230257.4375 376213.0938 327168.25 269183.6875 341130.5 276977.7188 236442.3906 194078.625 284653.125 233688.4219 204213.4844 318191.9375 228158.4375 201838.1563 239757.9063 203382.2344 231634.1094 247752.8125 252891.875 259650.3594 313894.4063 290555.5313 331737.0625 231072.2188 350124.625 364471.5 276917.4063 282408.6875 342285.125 335903.5625 Ala-Ala-Gln-Ser 169032.4063 311264.5 244979.375 291112.3438 138340.3438 287476.125 274903.2188 263237.3125 239888.3906 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83769.91406 62702.60938 103150.1094 105773.3828 75959.46875 155862.9531 86645.39844 105320.5156 145163.9531 74964.14844 98674.86719 143901.4688 95798.83594 123335.0703 156092.7656 81112.65625 177931.6875 186273.0156 98206.875 151054.0625 157606.3906 105740.9922 137939.9844 168516.5781 83831.28125 65156.84766 102513.8828 74923.69531 107113.4688 103682.5 77284.36719 103408.9219 125576.5547 64205.19531 130975.6484 149720.0625 107934.4375 Ala-Glu-Glu-His 272976.4375 243552.6719 177719.1719 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 298878.7813 134035.6719 184174.8594 339850.5313 200672.8594 213124.8594 432095.3125 265972.4688 197150.9219 367132.1875 266180.6875 189760.2813 0 0 0 0 0 0 0 0 0 0 0 0 343168.7188 145857.2031 166668.75 77557.10938 28817.65625 26323.84766 63243.85938 7817.697266 15957.52637 55740.91016 10307.9707 0 0 0 0 0 0 0 0 0 0 0 0 0 530049.4375 175663.7344 189414.4219 238614.625 60147.08203 56482.03125 101909.7188 29180.24609 14924.23047 77624.39844 24011.04883 0 0 0 0 0 0 0 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184987.2969 179672.6719 212070.2031 234234.4063 188919.3281 195460.9531 222529.6719 211129.6719 203478.6094 210745.8281 204082.875 185428.1719 Ala-Lys-Asp-Pro 31883.19922 29764.52344 42782.17188 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 40268.66406 31016.48242 33460.12891 61089.78906 37041.97266 56603.90234 61552.99609 56387.18359 47208.55859 109418.8047 72788.5625 71186.67188 0 0 0 0 0 0 0 0 0 0 0 0 48505.84766 31175.55859 29088.8418 29606.83594 0 0 27443.42969 0 0 23329.9043 0 0 0 0 0 0 0 0 0 0 0 0 0 0 52331.35547 20729.33203 49386.65234 35978.61719 20165.53906 11260.70215 32183.91602 0 0 17354.31641 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ala-Lys-Lys-Asp 120778.6328 81001.27344 131226.2813 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 109651.9219 65644.39063 178816.1719 206727.3438 93952.28906 114212.1563 411854.2188 155811.9063 175778.625 305255.3438 296838.4688 208190.1406 0 0 0 0 0 0 0 0 0 0 0 0 193762.625 91437.60156 126741.0781 69099.10156 0 0 58360.25391 0 0 63510.41016 0 0 0 0 0 0 0 0 0 0 0 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126179.9375 77352.07031 101577.6953 97308.4375 97585.21094 107211.2891 91711.26563 87379.52344 82203.13281 88821.0625 84830.05469 98607.76563 78282.14063 107316.1328 92056.53125 98574.82813 55623.125 117503.7813 95123.25 91071.89844 110919.7891 91358.80469 76709.14063 89079.69531 124510.4375 82317.97656 139724.75 108868.9844 76927.40625 94912.48438 89802.10938 105050.7109 113715.8906 91791.22656 105361.9141 104120.8906 119283.2813 94860.17188 82706.26563 104569.8984 101267.3359 101944.9531 101972.9375 94497.79688 100429.7422 81398.32031 105241.8672 101676.7969 96777.96094 89479.80469 93938.04688 117982.2969 108633.7109 90007.35938 100775.7422 80321.80469 86627.0625 93401.03125 58900.95703 86935.61719 67088.11719 69408.71875 98484.13281 101134.8906 76704.59375 87962.34375 98352.125 94146.64844 87491.0625 106992.6172 85577.6875 98174.98438 97703.49219 90754.54688 90716.28125 112361.3438 77268.55469 89349.85156 104962.1719 88829.59375 150448.4219 99310.77344 56188.33203 85451.82031 95671.1875 113767.2578 105557.1172 96855.78125 92030.77344 116648.7422 102274.7422 100136.0156 91836.67188 94457.50781 Antheridiogen-An 0 13552.07031 95484.46875 10881.82129 0 91609.39844 0 0 75207.67969 0 0 128541.1328 28840.02539 71942.05469 497348.4063 58052.75 71117.41406 326878.4063 76062.85938 117936.1406 319390.5625 113285.0391 244002.3594 208336.3438 0 0 129256.7422 29210.71289 0 117236.0391 12507.78223 13157.84766 173053.2031 15245.69434 29125.57422 146770.2656 57486.10156 78199.39844 212388.3438 79695.28906 121944.9297 222185.4531 69230.625 75623.79688 184961.4531 82964.66406 155093.5469 187323.8594 0 0 68006.41406 0 0 71633.41406 0 31167.4082 116163.6406 37117.58984 13579.36621 107601.3984 62770.96875 88778.17969 969172.9375 80598 93832.21875 242608.875 67324.04688 109704.9219 524595.5 78532.89844 146693.9844 219251.1094 0 0 75498.51563 0 0 111824.25 0 0 63289.13672 0 0 86895.45313 89801.75781 66112.8125 256986.2969 91350.75781 80507.46875 268950.375 67908.92188 129914.4922 207180 115216.7578 105608.1016 189584.4375 Apigenin 7-(6''-malonylglucoside) 20545.46484 20428.0332 17780.18164 79620.58594 64786.0625 59548.64063 151119.375 144700.7344 131977.0156 317593.5625 172605.7813 249144.3281 0 0 0 0 0 0 0 0 0 0 0 0 12065.94336 19890.77539 12625.93652 33555.70313 32596.68945 47119.82031 27542.33203 36244.41797 45117.73828 20947.62695 34726.82031 42297.58594 0 0 0 0 0 0 0 0 0 0 0 0 12044.2793 24212.38867 0 43967.26172 59885.10938 54883.62891 142939.7813 67123.47656 113868.9063 277200.7813 133980.4688 166009.5625 0 0 0 0 0 0 0 0 0 0 0 0 17662.08984 16998.43945 14389.91406 66103.29688 41683.55859 94883.8125 96359.61719 83116.5625 100723.8203 141700.0313 190398.1563 192501.375 0 0 0 0 0 0 0 0 0 0 0 0 Arg-Asp-Asp-Gly 36384.28516 37963.25781 56791.24219 48081.50781 31826.36133 63135.74609 55686.62891 22934.24609 55487.90234 36813.78125 30494.73438 51929.94531 49805.79688 56165.22266 80876.15625 51831.21484 68365.25781 70031.32031 73925.89844 67466.48438 92074.1875 68163.4375 76226.30469 73181.89844 40027.04688 29771.94727 51780.26172 40236.03516 25447.96289 50794.90625 31003.05273 35579.74609 58232.50391 44992.18359 39440.98438 47446.46875 64551.21875 73271.40625 69483.5 81704.35156 62216.80469 96048.61719 65121.46875 62463.85938 74056.88281 75526.95313 81843.24219 77182.30469 35060.31641 37084.36719 64218.25 30624.20117 37096.8125 54282.65625 41477.85156 33027.41016 61265.89844 40844.99609 36868.81641 59071.91016 63656.25391 63693.02734 119450.9766 51187.83594 75233.75781 97929.3125 49140.67578 68328.8125 78526.6875 66184.30469 69262.82813 76224.73438 41360.05469 31662.51367 53202.86328 44407.43359 29710.66406 67570.52344 43445.22266 31209.86133 56484.15234 38157.94531 41923.80859 52146.22656 67584.77344 64402.60547 59864.65234 59421.52734 77039.08594 75405.73438 72686.32813 57411.09375 81205.55469 61691.64844 70443.33594 62393.90625 Arg-Glu-Ile-Val 163814.7031 117702.1328 103001.9609 118643.125 193655.8906 172608.125 151177.7656 164492.7656 166083.1406 164206.875 191181.5781 172856.5625 125890.8203 137803.25 228845.2656 156819.0156 173734.9531 142926.4063 205407.3125 215340.2344 221200.3125 116717.9531 173131.3125 138208.7031 90649.1875 143917.5781 134990.75 162244.8594 136967.375 138936.8281 96923.89063 122938.2734 117092.7188 155654.0313 156064.1719 223847.4219 141818.2188 146722.125 145508.3906 140893.4375 113370.5156 84506.66406 187813.0469 188134.2344 158536.2188 156533.8906 176304.2813 153866.8594 134313.4844 265237.6563 153790.8125 159754.6719 141493.0313 208748.0156 106137.1172 89750.39063 191477.3125 140541.3125 196907 238846.0156 111436.4063 178972.6094 158395.5313 76826.99219 107228.2344 184900.6563 82914.82813 132726.3438 143330.6563 95459.85938 146350.75 163167.8438 115333.25 128191.0859 158224.4844 163394.6719 188899.9219 155549.5313 151393.5781 153532.3125 281030.2188 127729.9219 125818.6875 134349.9688 107748.8516 110229.6719 117897.4375 170362.3594 148904.5 213463.5313 174258.2188 186736.4219 155329.0469 161315.2656 178621.6563 239732.9844 Arg-Lys-Val-Ser 151951.2031 64957.62109 54830.73047 113958.0703 58440.54688 88783.04688 152379.4375 227184.5156 119806.5391 91979.48438 36911.80469 166693.6719 67166.42969 54540.57031 141187.4063 83321.21094 47993.99609 80380.75781 81174.46875 143407.9063 59668.49609 127921.25 58982.05469 112736.6563 132928.5469 59620.17188 68728.96875 96130.78906 52246.55078 214353.2344 59994.19922 96567.39844 124181.2656 105338.4531 116564.375 53224.32422 93174.10156 43673.99609 67429.49219 80425.07031 33399.46484 93588.04688 116406.6719 111998.4531 73370.90625 57214.71875 101358.3984 110706.5078 120398.6953 89101.83594 50954.86328 63913.34766 79117.47656 43906.23438 51859.58203 82620.19531 81122.75781 117297.7422 100491.7891 150714.7656 55610.66406 91996.77344 77011.96094 111955.1094 251537.625 51358.84766 81237.77344 36585.56641 91861.48438 111795.0781 75370.05469 67667.375 106883.1094 107949.3359 85335.21094 53565.9375 183365.4844 42518.99219 110982.2109 83076.96875 65586.34375 56732.41406 79142.39063 123933.8828 81728.78125 76266.01563 54772.96484 50502.40625 220632.875 75159.75 134616.2188 187745.1875 86887.80469 87491.1875 65381.76953 66431.67969 Asn-Asp 89202.98438 70645.92969 122620.4609 64213.98438 52669.32422 73973.23438 57912.30859 50892.5 94882.57031 60352.11328 53111.16016 74426.83594 40934.30078 56118.83984 54564.57031 51848.41016 66686.17969 67714.50781 47098.87891 65990.75 64251.62109 55147.86328 51001.66406 67233.1875 73532.99219 62869.75 107162.1719 121913.0703 79403.22656 116275.2656 135298.9531 76074.15625 111062.3438 135084.8438 80777.78906 115008.5391 58678.85156 50580.56641 65944.95313 62163.26172 52807.26563 60377.02344 51649.42188 54851.33203 64523.61719 70048.89063 52056.33984 69836.39844 97739.53125 56577.52734 112100.2734 68961.47656 49695.60938 78316.74219 80939.32813 56632.16016 75339.39844 74030.39844 58380.02734 65784 51327.39063 58993.84766 103564.0703 51160.89063 61669.89063 61735.44141 45605.97266 62887.62891 64501.0625 52851.51563 58296.64844 71350.60938 76747.36719 72785.78125 78713.40625 88349.26563 62556.59766 86428.53125 83097.625 52410.72266 83015.375 67449.58594 70892.23438 71409.50781 55920.05859 68088.83594 64661.70313 66207.09375 61124.91797 64358.39063 51651.3125 69159.48438 65323.96484 65598.49219 64966.40234 73852.19531 Asn-Glu-Glu-Ser 48309.49219 0 90511.91406 44756.40625 8426.609375 0 33596.89453 25429.83594 0 53971.75 36364.96484 0 0 41125.53906 101602.1406 28832.94922 0 13987.37305 0 0 0 0 14501.63086 0 13794.12402 12597.54102 0 31824.14063 14880.87109 0 12240.57227 34066.67969 0 40765.59766 13052.1543 0 48695.21875 31109.50391 8114.698242 8960.357422 20966.28516 83364.74219 0 16845.01953 0 29132.43555 24867.67578 0 62198.36719 26305.99414 0 24617.86719 0 0 46063.41797 32969.94531 65707.55469 123660.5078 14336.91016 23344.83789 26874.71484 98253.22656 127048.7109 0 0 0 0 0 0 10875.8252 0 69162.77344 38485.16016 15974.7041 0 34264.70313 0 0 43682.96094 17196.11328 0 33566.48828 12525.4834 0 0 15939.20117 0 0 13647.12109 0 45285.0625 0 0 30988.4375 8222.126953 44583.91406 Asn-Gly-Tyr-Tyr 156727.7969 214737.8594 155303.8125 139042.5625 150917.6719 224815.5781 113492.1094 132840.5 225044.125 148706.8594 116167.1719 171016.25 106055.7266 101650.4219 229144.9844 149977.1719 232571.5313 147457.4063 107362.1953 132560.2031 148451.6719 128641.625 144218 168512.2969 119199.4297 124250.7188 221157.4688 152157.5 146588.8438 240086.8125 134981.4219 135245.3594 184574.5 119058.1719 127732.8984 154462.8438 140687.0156 158656 164484.75 109190.9063 252557.4375 120244.1172 134492.3906 134418.8438 238918.8438 119142.5156 238755.75 154973.0781 121565.2656 251168.0625 123992.2422 225109.5313 166054.1719 250138.5156 106821.2188 175788.3281 219206.3125 140317.7188 148841.4219 149708.5938 106058.7969 192736.4531 119114.5703 124871.4531 150511.1563 178971.6406 102851.0469 197822.625 238212.0781 85500.17188 137821.8594 163454.375 161305.0469 171434.7031 138146.0938 137316.3906 199879.875 173318.0625 176539.7969 150738 191168.75 144178.8906 180860.8594 198422.4688 113257.2266 166233.9063 136513.625 217014.625 221583.0313 155406.2344 115978.5313 214780.9219 175446.6563 155899.5781 117187.2656 158587.2344 Asn-Leu-Gly-Ser 50116.89063 194551.5625 195599.125 129488.7266 123093.8672 62944.56641 224709.7969 187143.0313 133360.8594 67274.60938 196843.25 85436.39844 62717.76563 101708.2891 243429.6719 110040.1094 141690.3125 336672.0313 161059.5781 128026.7188 151230.4219 113130.75 41877.75781 187431.3438 65258.01172 113310.7813 157844.4688 55514.57813 42937.89063 118589.2188 186859.6719 102260.4609 117116.6953 52253.33984 64663.46484 152717.7969 154910.2813 90213.0625 174250.7969 122163.2188 93484.42969 84775.25 46644.66797 75974.75781 66804.35156 167356.3906 343247.6563 39975.05078 217198.9219 92000.89063 91013.02344 126264.2734 174307.5781 84114.55469 61194.72656 77979.95313 147867.8906 209090.6094 189421.4844 68845.875 73274.09375 83696.90625 106425.3047 48684.67969 155261.7813 338601.2813 158143.2344 164298.75 75266.15625 97914.125 234678.3906 79482.20313 123125.0156 86674.44531 117461.4297 51803.89453 181833.4531 147799.6875 241889.7344 113611.5547 99714.90625 47667.42969 79619.01563 155675.6094 100541.5703 132468.2813 162656.625 117765.7578 137600.8281 175755.1719 230592.8125 200138.3594 211406.9844 101367.9844 140585.0938 130958.4766 Asn-Leu-Pro-Pro 176393.4375 103996.0781 131625.6719 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 167567.1875 98561.70313 102115.2891 214897.9219 143143.6875 132984.6875 326605.4688 178197.7188 127345.0469 513832.625 310428.6875 194531.8594 0 0 0 0 0 0 0 0 0 0 0 0 241458.5313 104898.1875 77305.96875 35598.48047 5500.872559 0 39159.50781 0 0 28867.33984 0 0 0 0 0 0 0 0 0 0 0 0 0 0 161649.0938 91792.21094 107781.0938 101406.125 22183.85156 23919.33594 76127.0625 13175.29883 0 32533.93164 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Asn-Lys-Gly-Pro 56536.375 27949.79492 33608.32813 13781.45605 0 4755.079102 10406.52539 4355.625488 0 8609.71582 4867.188965 0 0 9463.564453 0 4982.166992 8336.850586 0 6966.934082 4429.347656 0 10800.63965 7973.021484 7578.40625 57723.09766 29115.73242 40107.47266 66408.41406 35805.61328 40557.42188 69920.16406 46998.64063 42353.08984 112656.3047 60372.88281 44246.36719 11364.73438 4313.612793 0 9890.026367 8856.84668 0 5557.319336 9409.987305 0 8896.525391 6139.382813 0 61101.88672 35106.90234 39917.70703 42614.69531 22550.99219 17757.55078 29540.02539 14740.20703 4370.980469 21936.18945 7335.47998 3239.665039 5763.751465 5305.952637 0 0 10122.96191 0 7784.898438 12280.24414 0 10440.08496 10739.08594 3492.157227 68582.27344 30940.10742 35524.45703 60551.08984 29969.18555 29221.73242 48270.01172 20611.67773 9239.295898 30661.39063 12108.80664 4991.785645 4476.774902 6643.081543 0 8287.587891 6281.650879 0 5355.121094 8755.167969 0 11136.66113 12412.82031 0 Asn-Pro 250898.8281 275798.4375 217990.5156 414447.5625 297764.75 206694.6406 413031.5625 301780.6563 260761.5781 318781.9688 296272.1875 196449.3594 345539.7813 496028.6563 191616.875 410581.5938 480538.8125 156214.6875 312191.3438 637384.6875 227801.7344 319990.4375 519426.1875 173393.7188 283637.625 267824.4375 219474.5313 275654.0625 237662.2969 191944.5313 348785.5938 300734.7188 179054.625 340654.8125 314402.3125 217614.9844 354821.0625 439609.0313 202742.5625 399065.9063 424200.5 175835.7344 409561.4063 353342.125 189541.5 365907.9688 417604.7813 156355.6094 310030.4063 302018.0625 165963.5469 292103.9375 219576.8438 201876.8125 321331.8438 295039.4063 208832.0469 341790.8438 228551.9375 217946.6094 329928.5938 460096.5625 335509.7813 312170.2188 439562.4375 225848.3125 302019.7188 458401.9688 212332.8594 371093.9375 481002.9063 159590.875 337745.2813 310219.1563 162735.3906 267860.5625 240994.1875 179851.7188 340500.375 267653.625 168720.5313 335927.625 319628.0938 204993.9219 329461.5313 369835.75 196237.9375 374008.2813 451612.7188 164467.2188 671939.4375 585089.5 154877.5156 372570.2813 386356.875 205132.7656 Asn-Thr-Asn-Asn 49525.17188 49355.48828 42028.57031 61252.57031 45866.45313 48114.42188 50917.13672 39256.71875 54696.07031 42770.88672 48332.13281 49922.40234 56308.80859 69530.3125 68363.20313 73651.78906 78293.46875 70361.20313 96533.34375 70496.61719 117499.0859 92303.70313 89739.29688 67054.78125 40020.80078 36602.28906 49122.60938 41881.68359 48966.375 51061.77734 40722.04688 38284.92969 49592.14844 46160.58203 34828.29688 52209.31641 68318.64844 65823.30469 58274.76953 75285.05469 94983.32031 72168.86719 73866.80469 75928.1875 64516.625 92957.07031 94084.23438 81966.39844 44894.78906 39173.60547 48393.71484 28359.94531 50447.25391 64170.34375 43765.40625 37516.77734 54839.19141 41957.61719 49345.81641 52553.62891 64212.26563 82144.72656 120994.4453 52381.60547 70199.38281 74054 53674.35547 74418.625 83516.28906 71073.25781 73982.25 69476.82031 57665.74219 44164.04688 55229.63672 52216.30859 46635.54688 52111.5625 49684.45703 40816.28906 49020.26953 46172.25391 40896.35938 57029.57031 79518.71094 59930.62891 53719.11719 65456.35547 76146.44531 51984.90234 84861.04688 86191.78125 62513.96094 87966.71875 89554.0625 71109.55469 Asn-Val-Gly-Ser 107142.6094 101495.4219 98236.24219 108679.0391 111418.3047 105333.2344 113152.25 124752.4141 103487.125 118217.8281 111876.7656 107127.7813 90432.03906 100403.8125 113505.0625 103758.5625 92408.52344 96242.4375 108865.4844 97048.90625 94806.23438 99839.28906 102431.9609 85326.6875 105658.6875 125420.6641 119835.8438 99794.75781 99529.09375 95927.60938 118428.8203 98073.67188 99865.45313 122678.5469 100810.7344 115695.3672 105960.9688 107481.1172 112827.0156 88946.79688 104626.6328 100265.5469 115444.0547 117752.9219 93942.71875 101223.8906 102542.9297 106464.6641 102414.6016 91559.27344 93274.5 82677.51563 109955.4922 94759.22656 112093.0469 112779.5391 92657.79688 112482.3984 111075.0078 90828.53125 100234.7422 103945.0313 101092.1563 89918.1875 103665.7031 115087.4375 86579.73438 101155.4844 103630.5547 97752.94531 107268.8672 84085.84375 95454.875 113838.5391 97860.95313 114205.4766 111786.0156 106520.5938 118747.1953 110017.7969 94173.9375 112730.1172 109421.3125 106707.9766 89143.15625 90407.27344 97297.29688 113449.6563 96385.91406 94403.92188 115390.8672 108256.8047 96681.41406 104055.4844 120350.6406 99509.24219 Asp-Arg 55427.28125 48188.35547 81281.98438 56834.89844 41300.21875 73491.36719 52868.11328 52738.07813 79943.22656 50104.20703 42203.35547 82216.67188 55822.39063 70399.39063 83198.40625 72637.77344 68004.27344 96407.14844 56138.04297 68176.57813 86688.6875 80819.10938 74349.08594 72416.91406 50537.4375 48533.03516 77828.10156 59619.86719 45606.41406 78648.35938 45230.27344 42896.44531 60124.90234 52659.875 39733.06641 78185.26563 63975.75 67271.32031 91269.47656 89039.96094 82715.20313 74116.78906 64912.64453 82175.49219 81445.42969 79009.92969 72981.9375 78175.85156 66996.34375 51622.06641 71591.07031 46713.10156 56575.90234 83705.21094 51264.90625 47081.58203 80426.07031 56916.98828 57036.54297 75898.89063 57649.97656 79456.03906 124462.5234 60281.75391 67836.64063 79173.92188 53340.83984 80701.47656 64028.1875 63107.02734 59106.46094 77294.64844 65613.57813 39411.61328 81007.20313 37448.23047 39511.59375 77564.72656 63791.78906 40750.18359 67816.8125 53607.67969 38145.30078 83734.88281 69229.05469 67387.375 91565.19531 63102.18359 79098.61719 79715.4375 77665.59375 70680.71875 88378.46875 83423.29688 63904.46094 94916.46875 Aspartyl-L-proline 1348423.5 1349367.875 743076.5 47190.83984 31623.12891 27515.48633 34879.9375 21169.20117 31067.50781 35952.375 22536.82227 22305.38477 349610.4375 207311.3438 1097292.625 235997.7813 396499 931056.0625 24961.66016 28770.92383 27454.66992 34759.5 36109.77344 19000.7832 1208173 861162.125 708137.625 1796032.375 1106950.625 933923.375 2959418 1223269.25 1359937.625 3187548 1528927.25 1434219.625 536011.125 637267.125 1086231.625 204106.7813 691516.75 771279.4375 32266.60938 33222.79297 670633.0625 47536.13281 38685.37891 911315.1875 2080167.375 899420.25 761508.4375 381122.125 104575.6328 151375.4375 473548.5938 296049.0313 494167 457041.0938 300310.125 394765.0625 19251.00195 36521.60547 29382.67773 25540.92773 40394.57031 25304.99023 43142.57031 35898.10156 1069139 765079.6875 35141.73438 18890.87695 1986647.375 1008313.438 828631.4375 912461.625 316924.125 277763 649473 195722.5781 372226.75 812371.25 313238.375 658471.75 26931.50391 24144.38867 18420.16406 35348.69141 35845.50391 21383.59961 39458.91406 638130.0625 855323.625 40075.82813 36715.66406 28312.29297 Asp-Gly-Arg 54957.30469 47635.16016 74814.64063 70028.07813 59986.70313 79620.59375 60779.78516 59583.58984 77583.85156 69034.53906 55422.06641 82853.29688 61281.49609 92441.20313 101798.1094 87712.23438 92251.44531 90041.79688 84135 86807.8125 101545.2031 91516.32031 103340.6172 102099.1953 52260.27734 46817.19531 77141.32813 50964.52734 53361.90234 78727.60156 63256.57813 72817.26563 92516.88281 67585.83594 55204.47266 77288.10938 68617.125 118205.0547 83469.26563 100038.4141 102232.7813 108378.4375 95207.45313 79438.39063 112888.0547 94516.05469 110239.4766 104783.6172 59717.87891 48141.79297 61682.58984 59337.32031 64119.03125 80518.97656 67973.91406 54909.16016 83742.85156 70122.08594 57868.74609 83593.70313 65658.29688 89648.02344 136966.8438 68354.07813 98464.17188 85420.39063 75126.59375 93352.125 105936.6719 88389.35938 87419.28125 90259.30469 62155.88281 53867.53125 88269.74219 58096.78516 66530.17969 84565.46875 67560.42969 41673.15234 77333.78125 57362.58984 58679.46875 75774.78125 76691.91406 99352.88281 98735.99219 94443.29688 112379.4844 87110.64844 102535.875 97676.42188 105639.0781 92583.82031 114135.8594 83311.30469 Asp-Leu-Lys-Asp 49861.71484 35322.35156 49038.67578 81641.94531 50092.40234 35960.22656 48221.09375 39286.86719 45048.76953 43811.51172 49331.38672 40476.57813 62333.29688 68670.6875 55003.35938 76464.73438 62614.87891 43363.24219 50610.62891 55562.00391 40154.48047 65721.74219 80203.88281 45041.78516 71835.29688 35811.32422 62599.91406 90916.77344 46387.37109 57891.68359 179193.0156 70617.53125 78849.60938 158281.4375 103863.5781 106347.2813 60070.05078 63394.82813 35718.5 69170.03906 57498.97656 43501.50781 64395.26563 59239.83594 41611.60547 75205.63281 62791.08594 38695.25781 79219.32813 49519.23438 43780.48438 41367.73828 38983.30469 35868.84766 117728.0234 36808.3125 42060.25781 118636.4688 59026.47266 38103.28516 49648.96875 65610.23438 61688.69922 55434.29688 66550.34375 42089.04688 52897.72656 60016.08203 34110.5 48294.13281 61307.35156 44063.625 83330.54688 44286.22656 58673.54688 109238.25 57418.26563 39581.41797 146807.6875 48508.84766 46840.92969 89682.5625 60739.62109 45527.45703 60915.09375 86974.63281 35467.96875 70090.53906 72637.91406 36209.96875 69817.32813 80600.57813 36355.77734 70077.95313 64041.17188 44435.79688 Asp-Met-Gln-Gln 79846.96875 73653.85156 110647.0469 85164.71875 54293.02734 97374.6875 92406.1875 50739.35938 135409.9844 53986.66016 57033.80078 136822.1875 116447.1016 107005.2031 189174.5469 120842.3516 115542.6016 173947.8906 86701.48438 141075.7188 161500.4531 146321.1875 144514.6094 121078.4688 67992.26563 63687.89453 140261.0156 69894.375 66431.95313 140398.1719 84392.4375 78391.41406 99854.47656 90677.90625 86863.10156 159353.5781 141398.8438 120334.3359 141359.0938 120271.8594 161100.3125 176990.0469 110867.2109 114355.4688 148746.9375 193040.25 186494.0625 147680.9688 53821.58594 108351.5313 116364.0781 54503.55469 51568.02344 120276 67878.13281 64200.70703 111650.6563 88760.42969 79045.08594 120610.0938 110083.2891 127930.3516 215361.6563 102622.9609 160242.5469 113609.875 175074.2031 114504.3359 131416.1875 142191.9375 122861.5938 134073.4375 83533.88281 52078.59766 120470.125 65072.46094 61947.59375 144576.1406 74100.46875 45032.08594 108689.2031 78336.35938 117130.9453 106819.9453 154990.5938 120320.1797 147338.0156 131383.1719 107002.4063 126236.1328 123139.8281 133476.9063 157642.5625 143427.7656 137359.2031 121298.8203 Asp-Val-Pro-Ser 363635.2188 252007.1875 217659.0156 342650.9063 268733.3438 178765.3438 257569.1719 101903.9609 134795.0625 187194.9531 102823.625 107043.6719 0 0 0 0 0 0 0 0 0 0 0 0 279148.6875 211494.6406 210305.4531 431819.5 233852.4844 350983.7813 1022230.188 386293.0625 394476.4375 932552.4375 468272.7813 560333.5625 0 0 0 0 0 0 0 0 0 0 0 0 344050.0625 226736.8125 193035.9219 315694.4688 210099.5156 197885.1406 483970.8438 205791.2656 152313.8438 429710.6563 176970.2656 171557.5781 0 0 0 0 0 0 0 0 0 0 0 0 425600.125 228398.0313 161983.4375 417428.7188 237181.6406 230908.2031 495778.5625 285693.6563 225447.1563 487360.9063 233473.4219 176091.8594 0 0 0 0 0 0 0 0 0 0 0 0 Benzene-1,2,4-triol 46226.83594 62146.49219 67271.5 62291.79688 48263.65234 48928.26953 61575.00391 51231.41797 29798.71875 53695.30859 40303.73438 39056.85547 67394.38281 75656.6875 64210.79297 95342.80469 83830.8125 71774.5 102465.5234 79001.63281 73341.0625 90522.23438 58882.55078 53432.10156 35111.82813 34284.8125 57963.65625 55263.21484 43894.02344 42813.48438 48722.19141 56092.84375 40295.91016 90287.00781 57278.95703 51887.76172 78977.71875 94807.16406 103960.5078 125021.9141 112223.4219 85468.74219 116435.0625 101443.6563 91567.72656 86402.85156 96604.00781 119611.2656 48899.50391 68055.8125 44976.26953 43383.85156 57576.98047 43382.01172 61890.41797 49031.5 44587.16406 56314.82031 43850.54297 29653.125 80856.88281 89715.77344 104319.0156 93765.83594 78695.53125 87139.60156 70176.35938 76919.41406 59475.875 64948.56641 79854.64844 73480.92188 44272.60156 54897.77344 44380.45703 55803.91406 57719.57422 40639.85547 62440.30078 42120.96094 37041.71094 62832.91406 51157.28516 45704.94922 87376.39844 68815.09375 232707.6719 90014.71094 98068.28125 64932.95703 84524.07031 66079.30469 95954.55469 97309.45313 91854.4375 51526.17578 Betaine aldehyde 189824.2188 164417.5 173066.0938 196461.4688 174996.5 144032.4063 178580.7813 150501.3594 186530.625 172115.6875 155807.375 186048.5313 153427.0313 147813.8281 160445.9375 183747.6563 166214.7969 165406.8281 168310.5781 152301.8125 205087.4375 182244.625 169144.1094 151367.3281 139235.5938 186668.6563 182575.2656 163692.7969 166927.125 151148.0938 129957.5313 154909.2344 176691.3125 167738.6875 144066.8125 195516.7969 171699.0156 168106.1563 168590.7656 182107.6875 145839.625 176544.6875 221338.9219 152514.7188 192196.75 177368.5156 154377.9844 152784.9531 131675.0156 132734.3594 163983.5 144206.1875 188554.7344 195281.8906 177226.3125 173932.6563 166859.5625 195838.1406 155486.9688 167096.8125 172586.6719 162235.9375 189049.2031 156533.6563 176387.5625 185408.6875 205723.1094 169377.125 167693 152435.7813 156345.0469 156696.9688 212069.6719 168934.125 176088.625 164739.3594 188352.6406 165153.2656 161112 170073.9688 179416.4063 161568.5781 190512.5156 158230.4219 156564.0938 149831.4063 189260.5625 166029.4844 184833.8281 161780.1719 190368.1406 143325.3594 200304.8594 169192.9844 159322.4531 158668.4063 Biotin amide 94866.24219 112676.9453 249463.2344 165699.375 100866.875 308226.25 183263.7344 127955.4063 241883.7188 117212.7109 104933.4297 297967.0313 159973 157975.0313 248943.8438 188458.7656 204937.5313 375829.125 130308.0625 164471.625 230394.625 153254.5156 188722.4688 247924.2656 100110.7031 127223.0469 157543.1563 121071.3203 147326.0781 271517.1875 114759.2656 99262.1875 256969.7031 184556.3125 143356.875 237139.9844 163903.2188 158109.0469 299423.125 194348.6875 210215.9375 313685.9375 177016.2813 175737.3906 267691.1875 175674.5313 292269.3125 194915.2813 111884.5625 160929.2344 230104.0781 123958 134008.1563 194652.3281 86610.39844 128589.9297 200914.6719 181897.4063 112670.7813 222148.0938 140089.4844 224136.4531 318481.0625 104202.8047 179490.7344 244549.9375 113995.3906 215765.4063 181173.3438 161552.1563 183130.5938 211727.2031 106972.125 120104.3516 211667.0625 99725.3125 97699.82813 250381.7813 183753.25 147168.4531 202646.0156 188670.3906 108445.3359 294085.5313 104017.9609 222151.6406 245283.6094 177137.1875 209560.1094 244521.7813 175216.625 183382.5625 242527.2344 201806.6719 203357.7969 349572.6875 CAPS 5362619.5 5062450 5833675.5 5230068.5 6182884 5663345 4888521.5 6111397 5273906.5 5049815 6761426.5 8879479 5294141 5421238.5 6945114 4742156 5709523.5 7312971 4944888.5 5663160 6619950.5 5254693 6394399.5 6104832 4264724.5 5296224 6253458.5 5102237.5 5103486 5912181.5 4214526.5 5125551 6338903.5 4656193.5 5811092 7437157.5 6694207.5 5923956.5 7940358 5815431.5 6187119.5 6827657.5 5222690.5 6189868 6860838 5086705 5679197 6871473.5 5619380.5 5497213.5 4838108.5 4594534.5 5092655 6331108 5366771.5 6340901 6289707.5 5377391.5 6064558 6805437.5 4703424 5737753 10768516 4580238.5 5527036 5855935.5 4861989.5 5756469 6838600 4960692 5547969 5035697 5090901 4918351.5 6715044 4917834 5689538.5 5938672.5 4612353.5 10855628 5391779 4897218.5 5184318 6929507.5 4913619.5 6768156 6829824 7401313.5 6759839.5 6398426 6320184 5944805 5956408.5 6061293.5 5233666 6514378.5 Cathasterone 308663.1875 316240.9688 380345.2188 362016 347633.3125 359645.3125 333604.9688 325501.6563 340374 343534.6875 337887.4063 327035.9063 306669.6563 323843.6563 387630.25 364270.875 386786.75 353722.3438 328882.7188 340369.3125 442568.1563 363273.875 325207.9063 334155.0313 289823.25 341659.75 358948.2813 297043.625 295923.2813 292507.4063 307179.75 346652.625 364182.2188 366004.3125 330812.9688 382794.7188 319225.6875 305591.625 326099.5625 350604.6875 295266.5938 276359.1563 342118.875 435530.3125 348774.8125 351894.2188 328665.375 291982.625 344621.9063 356523.75 366001.1875 262645.4688 313052.7813 322615.75 313083.6563 306525.4063 326692.1875 281108.1875 318791.5313 290208.9063 296394.375 350908.3125 318421.5 275964.3438 302300.3438 307645.9063 256906.5469 289588.5 289712.5938 270838.7188 356299 307660.9688 336673.7188 288618.0313 315083.9375 328765.3438 372903.8438 380222.875 317350.1563 295182.5313 310440.8125 304012.7813 332168.75 386462.375 283268.4375 324130.8125 330200.4688 362316.25 347512.4063 322670.375 339330.9063 392109.6563 375069.7813 330277.6563 299010.875 277030.875 Cer(d40:1) 60311.57813 41407.19141 113931.4922 63071.92578 66315.20313 111284.25 38269.65625 71717.50781 68163.3125 60651.65625 72418 77313.34375 45799.57813 35061.41016 34375.58984 35469.14844 39248.15625 64109.01953 0 23807.47656 30015.26172 42171.89063 36389.27344 66180.02344 50451.87109 75175.28906 81538.95313 43771.96484 54076.77734 85496.05469 44188.95313 39630.01172 59322.55859 48047.91016 62580.28125 82099.51563 106483.9297 44038.48438 85398.64063 58864.23438 11396.75684 109193.1484 50098.32422 31733.99805 89826.44531 32766.5 5339.85791 68681.67969 72738.78125 45362.89844 131292.1563 83495.25781 52010.37109 116040.2578 43307.89844 79274.69531 66684.1875 41111.53125 43495.22656 65620.125 9494.810547 19231.75195 15926.11719 33015.31641 30975.75586 82325.67969 44652.44531 19461.35547 24209.12109 54692.16797 16614.76758 66838.55469 34393.48047 60413.96484 80852.77344 52547.03516 67487.79688 112161.2422 50388.55469 45280.78125 81073.97656 54478.07813 59178.96484 70350.51563 10365.22266 93660.05469 251123.8281 70356.30469 35386.01563 91223.67969 34795.26563 13823.77734 86727.46875 54391.33594 13576.63965 107061.6094 Cerulenin 128038.0547 116827.1328 108033.4844 125358.1484 100993.2891 104277.1172 109424.7891 98826.3125 112507.7266 103953.0703 99409.39063 130683.5078 103435.25 136657.3906 138762.9844 120705.0313 114698.2031 109721.7656 90059.53906 117441.0391 136139.0625 119771.0313 135494.9219 129948.2031 85369.35938 98060.46875 122835.7578 86831.64844 96309.67969 96160.74219 109985.6719 92929.52344 108419 106495.1094 114133.0313 110549.5625 108204.6016 111811.9922 114246.4766 96074.0625 117136.1641 124267.7266 102497.0703 133002.0469 127827.0391 117091.3281 118405.7109 123385.5781 92137.27344 108286.1953 121002.9219 98809.82031 97072.39844 117130.3203 114116.8359 124455.9922 114258.5156 99596.57813 93331.57813 105896.4453 89259.79688 116950.5781 103084.1484 92111.69531 99655.70313 146867.9063 109880.625 124382.0313 104188.1563 89426 107862.0547 117976.7656 105430.2109 115458.2891 97879.53125 90994.75 94136.42188 104262.4297 148671.4688 104099.4922 110587.0703 87336.07031 141129.9844 102834.7969 111537.7188 108766.3984 122686.9922 114733.9063 125670.3281 118416.1406 108711.0781 124780.1719 134419.4844 116903.5859 110547.7188 127973.9453 CHAPS 2748814.75 2303897.5 2849499.5 2757922.5 2886346.5 2852692.75 2177805.25 2757927 2353109.5 2599431.5 2411936.5 3330868.5 2287063.25 2443924.25 2795317.25 2320715.5 2608484.75 2941148.25 1992705.5 2452754.25 2892286.5 2278987.75 2501817.25 2580187.25 1822275.75 2669860.75 2824162.25 2245882 2279137.25 2525709 2030666 2479800.5 2809244 2384551 2520854.5 2924957.5 2702847.5 2507700.75 3161024.5 2411016.25 2481950.25 3024723 2350291.25 2528652.25 3005488 2252796 2407585 2747193.75 2546822.75 2461444.5 2229481.5 2008030.625 2383409.75 2388487.25 2434865.25 2760534 2983957.75 2618782 2742923.5 3101294.25 2082786.875 2441116.25 4384953.5 1877109.875 2407780.25 2579816.25 2057937 2518853.25 2623278 2172143 2669236.75 1943152.5 2446941.25 2500327.75 2957663 2196340.25 2460034 2914558.75 2477558.5 3760663.5 2466880.75 2180657.5 2413432.75 3124211.75 2103878 2568355.5 2904552 2943025.5 2642751.75 2865494.5 2646003.25 2328310 2820460.5 2308447.75 2258548.25 2776056.75 Cholesta-5,7-dien-3beta-ol 94887.75 104428.1328 99829.08594 120348.8438 132269.9844 112553.2109 72852.03906 143074.0313 122316.7969 67423.82813 102949.9844 82569.64844 52162.88672 63368.33203 62488.69531 78435.78906 91503.38281 70794.55469 56370.10938 85243.30469 68565.10156 59513.13281 76931.07813 58018.6875 87051.66406 138399.4531 69237.46875 85199 108303.0391 117088.0625 68863.26563 88707.32813 113095.1406 112881.9219 125319.8281 100814.1719 91265.42188 63462.53125 54797.49219 69658.8125 78380.52344 103624.875 89286.75 85497.30469 58509.02734 71655.20313 83614.0625 54740.76563 163260.625 98921.51563 100513.9531 85611.8125 85644.89063 103496.7188 142336.8125 115131.9141 171807.8125 96312.14063 125782.1953 96382.53906 48832.70313 56329.10547 94537.71094 64753.41016 60594.49219 77780.27344 75182.46094 76543.57031 62981.57813 84379.91406 78690.17188 57279.72266 120769 124574.9766 109791.9531 112061.4063 118232.1484 112443.9922 93481.03906 95940.85156 109141.75 125298.2422 113764.3516 153245.2031 54153.86328 66671.1875 51663.13672 43006.11328 62506.75391 78999.41406 96553.67188 50713.57813 43593.11328 60101.99219 49791.625 70174.4375 Chrysoidine free base 79015.50781 101489.7734 87102.25781 84663.22656 95505.21875 105027.6719 82290.82031 85610.70313 93880.66406 68671.1875 70426.64063 113880.0078 89980.47656 87294.92969 80625.32031 62680.12109 104570.2578 93820.73438 101657.6172 79022.57813 109590.2656 61900.26563 68543.52344 72167.45313 72227.21875 98533.30469 79347.49219 74517.8125 85212.77344 69979.42969 78966.32031 89461.80469 90739.14063 57402.83984 79872.78906 96906.44531 73806.85938 104973.0391 104963.3516 76022.40625 101303.3281 129373.2188 112015.1094 90614.14844 96045.25 92540.29688 115487.0313 78466.50781 117742.2266 78675.63281 84134.6875 100177.8828 69691.89063 75667.67969 81409.75 96842.40625 149725.6406 128704.6953 92565.64063 133675.6719 57234.41797 71185.54688 97840.25 87929.30469 65965.07813 103434.25 96784.96094 121637.6563 99135.96094 67015.83594 79347.51563 81616.17188 112821.8828 86025.54688 80906.16406 72666.8125 92146.77344 103067.9297 103329.0938 88544.53906 93180.35156 102527.0703 104985.5469 127183.3672 74115.32813 111032.7969 76551.39844 94152.60938 86305.89063 100834.5078 85098.125 74577.35156 91001.5625 79540.59375 98532.26563 80965.92188 Cinchonain 1a 156594.8281 129978.6016 136829.125 134838.7656 91846.39844 195576.25 182279.0156 58500.55859 131390.625 120218.0156 112132.9375 177523.8906 191493.8438 178336.5469 308016.6563 337897.25 315653.3438 276895.6563 335354.75 319275.9375 274847.0938 375597.1875 378917.7188 276559 194211.9844 95275.59375 169634.4688 142525.3125 87993.5 237065.5 136398.4219 131758.4219 152920.4219 160290.5313 148995 230494.75 338544 339166.5313 306763.9375 291807.5 293680.3438 283320.8125 381904.5625 364630.4688 255569.9688 401466.0313 451965.7188 308499.0938 115931.4531 156842.4531 144214.3906 124421.9844 80370.35938 174875.625 152682.375 143741.6563 135104.2031 150629.7188 216595.4219 153573.8125 325755.6563 266482.5625 319811.9688 244064.2656 284764.6875 303547.4688 338401.5 373288.5313 311574.9688 293374.8438 312865.8125 321594.6875 196638.6406 86958.39844 183222.9219 110142.9297 92799.54688 217243.7656 143194.25 114916.0391 134566.8438 193847.0156 135915.0469 184912.5 441909.4688 281712.25 282702.5938 294034.375 268324.9063 360956.25 297474.9688 443359.5625 210189.7344 322836.125 411977.625 273223.3438 cis-1,2-Dihydronaphthalene-1,2-diol 137766.0625 221610.4688 199566.1406 139744.2656 169548.5 194008.7188 122363.7813 153752.8438 156107.5156 136819.1094 155263.125 172827.125 112824.0625 138719.0469 174941.5625 105910.3516 171670.3594 157506.6563 138350.2344 159184.25 154083.7813 107882.6016 145037.8906 145707.7656 116315.1875 154246.7969 184405.375 111635.3125 148794.9844 152135.8594 96994.67188 135783.7969 176803.3438 115602.9609 149551.5625 219349.9219 203793.375 217199.9844 207964.8281 136908.9375 178619.7344 163336.375 143672.6094 184256.9688 182030.7813 204725.9219 153695.8906 173626.9688 129383.3047 157860.2188 190540.2656 128028.5078 137626.4375 147327.875 147247.8438 137250.7969 134951.4219 108951.6797 165614.0625 184006.9531 118983.1328 204378.1719 184484.25 101632.6875 124850.5938 171061.2813 111380.7578 168419.2031 159381.5 111299.8203 109280.4219 179027 135397.2031 123105.8047 207790.5938 132511.5313 117764.2734 160937.5313 127574.0781 152123.7031 162258.2656 145552.5625 136116.625 172662.6719 116216.75 159087.7188 182452.4688 126522.5547 188633.4531 189117.3125 184787.8438 194360.2031 170629.5156 145245.625 134875.4063 205994.0625 Citrate 63065.69922 13250.57715 28173.72461 43361.67188 12778.14355 27278.25586 45747.02344 8812.243164 16898.36914 37007.89063 10629.02539 12643.19043 238027.0625 189498.2188 50534.91406 232553.1406 194347 33269.68359 482750.9063 286064.4375 36478.37109 205747.2344 261414.1094 17595.51172 52737.19922 11851.08594 47617.8125 48973.94531 13735.69141 25381.29102 40166.82813 14329.62109 17123.41211 37592.95703 15096.86426 16375.70508 327051.6875 375724.6875 29902.60938 427261.4688 391976.9063 38763.17969 203889.4844 213973.7344 21012.74414 218585 300089.875 16720.05469 66804.03906 16848.625 29564.99219 34958.46094 16392.53906 23973.07617 43457.99609 13422.76172 9914.356445 34810.85938 17010.44531 11915.32422 414802.125 287665.0313 44574.25391 189570.7031 306820.125 37307.625 158890.8125 190957.2969 30867.04883 192104.2969 180308.0625 20375.92578 75927.25 13447.79297 41531.83594 33045.32031 16779.64258 29538.82422 32396.28516 9852.959961 16572.22852 27650.89453 15849.30566 13411.80664 419766.6563 194968.0469 37208.48047 238311.9844 199478.5625 23827.61914 202025.8281 187315.375 20377.43359 181568.7031 200800.6406 12812.38965 CMP 96353.16406 98991.11719 72836.47656 279279 199426.1719 184139.7969 421203.0625 235831.8281 215198.125 383904.2188 281961 185383.0938 33287.57031 39749.84766 0 50658.92578 43278.62891 4788.360352 37758.65234 36694.28906 9710.813477 49889.42969 38270.66797 0 89359.83594 102309.1641 67804.04688 131933.75 142856.8438 102295.5313 152353.4219 135536.3906 131505.9219 190424.3906 159956.5938 122480.7188 40006.625 40761.07031 3592.473389 39984.29297 42972.22266 3451.88208 43007.5 35703.21875 0 45928.57422 43159.10938 3726.401123 110107.7422 113736.2734 73128.11719 147748.3906 174070.75 132537.8594 291705.2188 262445.0313 205543.2969 360362.9375 277471.625 205210.5469 35938.53125 40210.98828 3964.472412 29836.04492 43913.61328 3732.516113 38222.01563 44119.85938 0 35465.16016 53416.94141 0 101097.8516 97634.89063 75243.17969 164742.7344 160817.4531 137334.4531 318578.7813 200778.8594 178218.8906 277264.9688 263404.5313 239028.2031 45861 42676.26563 0 51120.02344 42019.24219 0 36157.38672 45274.25 3891.709229 46400.56641 35788.17578 3441.823486 Convicine 59398.42969 66587.67969 103293.5938 75446.92969 62336.22656 110144.2188 99457.96875 56598.62891 123324.4844 74546.17969 67208.30469 100737.4766 85620.14844 115651.3828 191144.9063 123857.1875 174759.125 232570.0625 178601.3438 159808.6563 270835.5313 139207.4688 158259.9063 153758.5469 69537.25781 43739.5625 115587.7344 79826.21875 47935.38672 115892.625 73227.16406 66427.17969 156327.25 63371.13281 59530.72266 100629.7422 131945.4844 129802.1016 152611.7656 159836.9375 194056.6719 201792.6875 125414.7891 149185.3281 177886.375 169861.7188 233388.9844 191174.9531 68461.42188 67682.25 98473.00781 57797.19141 71121.72656 128667.1406 82724.45313 89478.29688 117645.8281 67852.28125 68823.25781 100956.4609 113626.1875 142852.2656 261208.4063 120803.5156 173294.7656 215696.875 115681.8047 163824.8438 206080.0469 114090.4375 144365.3125 159303.1719 110241.4297 62276.85156 115859.8672 62502.21094 58824.33203 134798.2344 75652.46875 64157.89063 143672.75 75808.375 73785.72656 127418.7344 143762.0625 108279.8828 134894.8281 137623.7188 142384.9063 176981.7813 158425.5938 172528.9063 171897.7344 152685.375 177410.6719 218927.3281 Creatinine 41244.54688 29596.73242 188406.7656 34899.49219 30980.36914 85307.85156 28617.17773 49095.25781 81617.67188 44894.875 13986.90332 47921.91797 94322.39063 119803.1172 115244.1953 61497.34375 59907.67969 127014.3516 44679.99609 80119 75067.91406 58675.75781 68593.34375 65780.17969 26906.25195 13769.97656 199417.5156 29239.46484 25630.64453 68101.60156 26253.43164 31865.7793 51674.77344 47920.91406 44654.55078 107666.5156 103193.7344 116847.4688 166975.7344 46036.37109 50355.51172 72363.28125 77704.69531 71414.85156 85127.72656 88237.29688 74421.89844 74696.64844 34696.59375 30619.33984 349986.2813 22851.86328 28618.86523 69270.85156 43945.60156 25379.03516 50752.92578 33413.40234 37947.83984 45810.69141 172655.3281 106388.8594 256847.0469 34830.92969 82142.46875 57598.96875 51281.88672 123310.2031 51955.30078 49982.77344 39703.91797 69317.46094 24597.58789 34115.63672 250421.8594 31962.13672 25300.15625 88449.16406 26142.01367 25068.59961 59357.57813 51540.38281 24026.83789 118449.3438 92389.57813 85720.5 157235.5781 70860.27344 87472.42969 55354.29688 65915.24219 66751.625 66566.67969 44131.30078 93496.39063 72281.57813 Cumene 27606.45703 144318.2344 0 33638.76172 95527.41406 181191.4219 65119.73438 0 71362.07031 60361.79688 0 71205.11719 89913.85156 0 60331.04688 22097.26563 99529.14844 211316.2188 0 119557.1484 154421.3125 72712.32813 0 198350.7344 80390.99219 0 192981.2656 25825.00781 0 154483.7344 124351.6016 54859.78906 141847.4531 100729.7656 68387.73438 37656.875 81133.10938 62102.30078 199064.6094 0 57724.95703 205404.0938 73065.74219 98690.20313 83647.07813 137587.0156 66850.38281 86642.99219 115623.5 0 86679.375 22202.86523 81652.95313 74562.74219 86527.82813 0 49549.32813 0 83210.28906 29333.1543 80893.72656 34551.09766 277270.9375 0 204965.5 138048.125 40228.625 110653.6484 134950.1563 85264.1875 203154.5 87093.46875 32506.95117 176966.8594 101805.3281 25688.95117 107562.1406 151226.7344 23744.91016 40325.75 66673.07031 49285.05859 70709.71875 76729.71094 44573.58594 84600.4375 24418.96289 22110.22852 112657.2188 137361.1875 41252.63281 0 163419.1875 109276.6406 0 62795.44141 Cyclic ADP-ribose 219456.4375 231746.2656 351027.375 346224.875 219978.0625 226708.0781 265114.2188 299314.875 251008.875 244710.5781 340458 262297.625 79528.83594 151717.3125 142098.5156 91497.41406 116899.9219 137447.4219 92989.25 126649.8672 91382.50781 119692.9375 145983.5938 117475.1016 205083.1719 310074.75 205506.2813 258297.0469 293638.5 246531.5938 252463.5 351134.0625 279247.2813 366464.4063 326830.1563 242095.75 124527.7031 121366.7578 128988.9922 113026.4609 98370.48438 113808.4844 115175.6016 117214.4609 131827 141352.7031 163223.3438 107889.6797 295899.5 239217.4844 260409.7813 237711.3125 282383.3125 172241.9375 275531.25 209990.75 217611.6875 332472.8125 239529.5156 250520.9375 103536.0469 108983.125 178087.1719 130698.4844 237684.1719 151129.4844 93787.73438 103607.5469 90123.51563 82272.88281 108640.3125 77619.57031 162366.0625 224557.3438 221602.8281 308757.1875 386330.5313 236227.0469 209682.3594 268057.7813 263219.5938 264280.8438 536767.375 282953.6563 87220.89063 131500 154423.2344 124838.1484 118593.125 116336.0938 127702.875 96248.89844 118688.9063 114897.4609 162435.8438 119041.9531 Cys-Met-Cys-Tyr 214298.3125 179217.1875 1273192.125 319763.5313 157916.5 335244.0313 206481.1094 212681.7188 691741.0625 205693.3438 156636.9531 1533153.875 120929.0313 217195.0313 1398859.75 185894.7188 283656.75 1176794.75 380411.0313 183008.7969 193324.0156 184168.7344 115405.5781 317882.9688 143162.5313 323656.2813 303032.375 221816.0156 159547.5469 274968.8125 108110.2031 100269.625 552472.3125 185482.2344 203187.9219 831738.4375 206761 187864.6875 318650.4063 201176.6719 137753.625 822316.875 289912.9375 241528.5156 783553.125 236123.3906 360986.25 920858.375 592587.5 242342.75 488058.7188 443417.1875 72067.73438 368146.3438 250869.375 236825.5781 1226685.875 1040091.25 192508.8594 1397962.125 217287.5469 1731870.375 7558566.5 148814.375 99574.55469 335831.1875 141421.0313 181138.5156 308676.25 114688.5625 166455.3438 412579.25 300525.4063 544309.0625 299097.3438 340349.9063 235645.7969 729500.875 229190.7188 163041.8438 125982.5 175085.0156 224499.7813 250713.2813 262232.375 154163.0781 553774 247484.5781 200354.2969 461241.7813 455753 230036.9219 670670.125 193468.0781 245251.9844 484040.0313 Cytidine 39012.72266 60376.44531 74413.04688 71107.91406 64079.19531 75754.57813 61938.65625 73264.01563 83301.5 49791.43359 64541.07813 68054.35938 58077.84766 65756.91406 53236.48438 82943.51563 98375.41406 58704.88281 74826.44531 139785 93630.35156 80493.92969 156126.9688 79994.375 55705.88672 46055.57031 72429.92188 58687.26563 49645.69922 78482.42969 50072.54688 82309.14063 78351.19531 51922.09766 66518.55469 95475.78125 55903.08594 74283.75781 48060.05078 80673.24219 96844.1875 77034.10156 89553.89844 88615.61719 76032.95313 76914.82031 118267.7188 111862.5938 48683.35938 71830.11719 64767.96875 44542.24219 48896.23438 81045.51563 45900.1875 67328.73438 80160.67969 55848.32031 48530.49219 79789.17188 57753.75 88139.86719 89099.98438 62526.17969 82634.21094 71907.92188 73487.39063 86546.71094 88461.5 94246.16406 141297.125 89086.85156 54531.96094 59812.67188 57670.05859 50351.09766 59769.83594 74518.67969 57708.15625 75201.4375 69937.97656 52460.09766 74595.6875 80639.80469 55564.38281 75865.71094 53664.92969 78387.25 100988.8594 53138.86719 123771.8203 116823.3984 59870.30469 83619.50781 108415.8359 95176.23438 D-4'-Phosphopantothenate 16880.98828 0 0 23162.83203 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27616.6875 0 21566.07422 53603.25781 18378.93555 41147.50781 58621.91406 56109.01563 53328.55859 101732.4922 55959.21875 58824.19922 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25335.4082 16860.16406 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19265.83789 0 16292.90918 32013.75586 13897.49512 0 24325.72852 0 0 23500.41016 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCMP 117422.5938 104560.0391 47670.80078 142388.2813 150222.0313 68119.45313 114105.625 88646.24219 50458.90234 119728.5469 103698.5703 58349.58203 127224.0547 143928.25 58375.88281 154791.4688 151755.5938 61179.41797 124633.5781 170104.0938 76418.64844 159157.8281 141553.2813 56890.05469 84543.14063 105669.8281 54118.99219 135328.1719 99474.48438 58856.19141 141372.7969 109032.5469 57518.24219 122963.4609 111618.0156 63755.88281 140688.5469 138360.1094 66620.70313 155615.875 144208.9219 57071.57813 171714.0313 152552.8281 72122.24219 149852.6875 164586.0313 53242.24219 137475.1406 117020.6016 48874.59375 102732.4297 113847.2813 51269.15625 101966.4922 112646.7969 49114.14844 145306.5938 94737.25 58242.83594 149468.5469 150331.7188 86787.58594 143641.6719 156974.8438 68676.79688 141261.5313 148550 58917.8125 144561.875 130974.9766 58809.48438 124589.1094 96471.82813 51658.66406 124403.3125 111242.3906 52759.69922 128745.2422 91414.97656 57050.10156 116635.7813 99421.84375 50706.11328 135534.8594 173806.2813 70731.94531 146066.2031 149132.5313 59870.17969 150358.8594 144496.4844 51697.77734 148627.4844 137258.7344 59691.63281 decanamide 246807.5781 306275.4688 242374.8438 185142.5156 269056.5938 344727.0625 189093.7344 313823.125 262861.3438 346862.125 220722.2969 297321.125 192481.9375 176467.6406 265783.5625 166656.2656 175693.6406 325411.8125 106776.375 264015.3125 390607.9688 193830.1875 245722.2969 206292.4063 189301.8281 217119.1094 273104.6563 265604.0313 200844.8125 161140.0781 124928.7891 285690.3438 248486.9688 251945.5469 266519.5938 472745.3438 248518.4844 238944.5938 330147.375 235786.4688 324063.0938 209366.9375 161395.75 270900.1563 258092.25 162140.7188 202709.25 303019.2188 180007.125 339705.875 388176.0625 131228.4688 227387.0469 377378.75 228221.9844 234098.9219 290499.0625 152948.0781 168954.375 365460.5625 159921.1563 181933.7969 415504.8125 188295.2031 218561.1719 239757.9688 109822.4063 70265.97656 240103.625 154329.0625 344302.2188 257513.2031 321971.8125 333694.6563 234057.2344 191944.1563 290334.8125 276937.4063 165840.2813 278622.8438 359198.7813 360147.9375 175908.8906 342861.0625 116519.9453 244185.1094 354551.9063 349308.9063 271344.75 307728.0313 207356.3906 301731.0313 425072.5625 248598.625 348274.5 223045.125 Decanoyl-CoA 142664.6406 164051.7188 122210.3281 101451.1016 84088.14063 131172.4219 246233.2969 34654.57813 87293.53125 100061.7109 91064.75781 173423.2813 413974.9375 233873.3906 347254.5938 408242.75 303130.9688 302834.7813 440493.4375 511845.6563 328009.1563 487535.4688 527298.3125 263537.4688 197333.2813 78147.125 253840.8281 191421.1563 87263.42969 176596.8125 150477.9063 126696.3438 196236.4375 216141.875 213121.7188 185782.8594 534979.125 502023.6875 360153 606940.4375 597663 352893.9063 482480.5 410749.0938 263154.9375 537659.8125 598396.5625 316664.875 122564.6094 182658.3594 124416.9219 115024.4453 61540.25391 130925.7188 105711.5547 124686.5625 116889.0781 156580.8594 159238.75 98260.70313 431397.2813 469445.75 332580.0313 449138.6875 360233.5938 276196.4063 433530.8438 582378.3125 331132.9063 579639.875 594028.6875 219742.4375 191606.75 89425.14063 201515.875 201411.0938 88787.83594 243323.2969 168295.9688 101132.4375 119812.6641 175604.5469 161260.6406 121691.2422 631390.5625 331899.5938 277522.5313 345725.125 316955.9375 344350.4688 450122.7813 551526.1875 237075.0469 536471.9375 571026 299360.5938 Dehydrophytosphingosine 33980.03125 76222.39844 105481.7813 65720.53125 46678.89453 84615.10938 90565.4375 93058.75 87651.49219 90478.82813 49669.47656 69594.5 42996.01953 65098.14063 73575.89844 74388.79688 93912.60156 90950.50781 61358.09766 68572.35156 50071.60156 47922.97266 94711.21875 78403.3125 30911.9082 80304.8125 134278.1875 50453.66797 89642.5625 59154.375 34937.89844 51708.08594 73875.89063 65959.79688 48244.16016 130687.7422 55872.07031 70024.25781 59969.05859 60133.03516 62359.30078 77687.45313 83465.57031 89997.55469 72332.72656 88730.17969 78631.77344 76730.44531 63359.11719 51008.96484 52170.44922 93354.55469 85660.98438 53041.62109 58592.8125 140755.4375 83741.53125 54516.89453 112218.1875 58158.97656 69850.17188 61709.38672 53624.6875 38296.55469 97685.42188 67825.96875 53685.80859 78378.57813 62719.60938 57667.49219 66212.00781 44027.68359 89654.29688 61631.39453 83301.59375 38923.0625 59999.375 51805.77344 51773.33203 122444.7891 51397.125 59303.44922 63573.34766 94400.64844 61813.61719 74311.03125 48848.46094 54492.82813 44479.64453 75814.48438 73080.66406 93481.57031 107754.2969 55072.94531 81415.92969 106952.6094 Deoxycytosine 416973.5 417896.4688 853897.1875 570945.625 677705 652261.125 350067.1875 584608.625 898237.5625 211001.2188 154372.9063 243609.6094 307949.2188 1062348 808682.3125 399744.6563 519895.375 1020816.438 371422.7188 430880.9375 369684.2813 385030.5313 556154.9375 1218197.25 194915.5781 709137.875 872409.3125 527723 735770.25 562761.5 341477.2188 721999.75 1139024.375 389471.4688 706391.6875 736098.3125 329886.6875 895298.375 827505.125 407589.7188 387613.3438 1229247.625 605096.375 1391897.75 639863.125 222741.6094 755209.125 1129932.625 410073.0938 397606.4063 640487.25 556767 411913.3125 767761.1875 639882.6875 759002.375 606633.6875 677495.375 638526.0625 618748.5 336007.4375 735835.8125 479322.1875 669362.75 506916.625 828430.375 259872 562739.5 698836.8125 482905.875 1368261.625 512064.1875 447682.6875 662804.125 905717.375 424863.8438 676512 730858.25 283156.5313 1137324.25 678732 328561.2813 1361720.375 940112.8125 314781.25 497662.875 738993.0625 617619.8125 416343.3438 452238.375 342160 510661.125 659600.6875 687825.3125 591373.5 872874.375 D-Fructose 1,6-bisphosphate 25002.90625 30085.25977 31657.96289 29807.94141 14907.0957 37596.48438 28214.54297 17251.58984 31882.36328 22307.67188 16676.96289 26952.70117 115243.2188 158851.8281 164889.8125 78262.03125 116906.4375 92821.15625 231178.5938 143346.375 182781.625 115983.8594 193954.6719 102267.6953 23830.29102 15223.49512 24376.20313 25906.31055 27156.46289 40246.60156 21496.20703 29596.70898 33966.74609 23740.71875 21386.25781 31196.16211 122427.5234 165904.8438 96029.64063 180241.6563 211509.3125 185375.8281 77742.25781 145741.6563 77910.23438 212547.5156 355879.375 185819.75 14356.60352 27823.24609 29391.7207 21195.61914 16667.39648 26516.80078 33094.16016 22488.95117 21951.38086 22433.25195 15466.74316 29475.87109 130064.3984 165227.7344 160193.5469 126758.4922 172417.7344 175298.7031 142711.3906 138314.25 249112.125 147290.0156 214490.6719 183652.2969 30494.85742 29558.55859 33609.25 21070.36133 26290.40625 30008.70508 30087.50977 26148.10156 35768.65234 23479.06641 21592.80859 24665.56055 124357.0938 102122.8594 68475.82031 145723.7656 166826.25 151742.4063 148718.0781 195811.6094 220629.4531 186186.2031 246024.9063 214549.4688 DG(34:1) 104274.7734 77180.07813 107987 167273.9063 44660.13281 82746.85156 94317.96094 74732.58594 84864.89844 152399.625 67149.46094 108983.0156 0 0 0 0 0 0 0 0 0 0 0 0 83032.75781 113152.8906 204358.4688 144493.8438 105259.4922 140296.3281 272368.0625 230077.7656 243922.3438 627366.875 267346.6875 519909.1563 0 0 0 0 0 0 0 0 0 0 0 0 124903.4453 87938.84375 106631.9531 123961.5859 58675.66797 79347.3125 213237.375 105082.0391 101475.4219 89548.9375 96969.86719 103217.8359 0 0 0 0 0 0 0 0 0 0 0 0 176631.7969 62614.06641 134243.0156 158164.0469 97648.90625 167634.5938 166132.2188 107905.0391 110408.7578 132228.6875 122767.9453 117331.4063 0 0 0 0 0 0 0 0 0 0 0 0 DG(36:1) 122024.5 110006.8047 74097.61719 100463.9219 85633.85938 119164.375 129119.2578 54293.52734 157915.4531 74968.97656 52700.125 175423.7969 65200.94922 157124.6094 140888.7969 115322.6563 100718.8203 114845.6563 291209.1875 154702.1094 204869.9063 0 62991.14453 146941.9688 83294.54688 91924.60156 100939.0547 135424.7969 98006.67188 156777.6875 205952.6563 126342.5859 173201.7969 280074.0625 200516.9688 186347.2656 130853.0469 123899.6953 76789.72656 105417.8281 169399.1719 99926.49219 45527.67188 160380.1406 137838.8594 101777.2578 188821.5 78515.02344 152220.25 103321.8594 89349.09375 91181.4375 69059.54688 103319.25 101319.1016 117199.2188 80547.14844 75493.35938 73280.55469 63868.38672 70267.55469 140504.7813 230888.8594 56144.60156 36178.27734 88040.125 123212.8281 38298.82422 112994.5234 74438.28125 217439.4844 134176.625 132784.0156 155441.9688 59964.08203 97442.45313 105018.1641 89298.04688 131782.0469 112120.4766 68167.375 119065.6719 169631.9844 83231.03906 159659.2813 192177.9219 33123.06641 64529.52344 0 62156.375 51264.55469 159507.3125 129854.7422 123938.6406 105939.7891 113085.6484 DG(36:2) 120740.7969 72250.96875 83983.97656 122795.2734 113555.1328 89919.11719 131764.8594 82945.72656 76201.53906 87042.25781 70707.875 80082.85156 0 0 0 0 0 0 0 0 0 0 0 0 88608.5 73381.99219 83585.97656 148442.4219 119759.7031 125683.6797 217328.8594 134251.7031 192552.7969 468148.7813 251288.2031 304365.8125 0 0 0 0 0 0 0 0 0 0 0 0 163145.4063 84146.98438 92825.40625 112951.1797 75202.125 102122.125 173037.4375 85009.28906 95892.22656 181955.0781 92332.16406 98283.70313 0 0 0 0 0 0 0 0 0 0 0 0 109278.0781 105287.9688 92609.53125 136062.9531 96088.89844 111845.1641 167400.9219 94659.92188 110851.5703 224290.4531 126575.8828 112985.6953 0 0 0 0 0 0 0 0 0 0 0 0 D-Glucono-1,5-lactone 224439.8125 175813.2031 737404.0625 254717.4531 241745.8125 441829.0938 312382.7188 209357.1875 727897.6875 276438.3438 162044.4375 377896.7188 851642 340007.3125 234224 453161.25 337145.3438 564788.6875 292890.6875 607291.625 715667.9375 407636.5 516617.8438 414893.375 247813.75 265365.9375 313048.7188 237442.7344 170889.2969 399971.4063 190746.7188 176320.1875 85677.88281 355378.6875 262437.625 413919.2813 424900.4375 444771.3125 216817.9844 443613.375 389896.25 920134.0625 683704.25 430219.4375 493948.4375 454635.125 421094.25 492920.8438 213973.6875 172666.4219 798669.5 316251.0313 250634.3281 300789.8125 255114.7344 159319.4688 457349 296483.9375 325414.5313 506051.9688 193011.8906 291796.8125 749799 339226.5625 719961.1875 581462.375 699665.25 332993.0313 605205.75 307502.25 976920.9375 535127.5 220218.375 253393.5156 384785.6875 281069.3125 207658.3281 377280.5625 210548.875 232267.9688 432096.8438 248394.7656 133944.5625 661102.125 279957.375 342135.7813 530502.8125 524233.375 515838.9688 500791.5313 354260.5313 808101.875 476675.1563 378387.1875 625262.6875 508940.3438 D-Glucosamine 69781.70313 66857.5 276913.75 70806.32813 59495.65625 317894.375 75215.76563 55459.08203 320330.6875 54773.69141 62132.19531 357322.25 75246.89063 99794.08594 371129.2188 105246.2656 92068.92969 375635.4063 86351.58594 140418 418702.9688 128858.1797 112623.6016 373189.375 65600.01563 55435.01563 248707.7969 78577.83594 55562.82422 271778.4375 77446.57031 66168.78125 344069.2813 106905.75 56370.90234 336779.5 106076.0078 105705.2031 371797.625 126716.7031 148391.5469 395813.5625 125659.5234 127498.8984 398592.2813 110085.9609 121442.4297 352548.8125 72577.10938 71733.28906 286157.5625 59010.51172 60574.57813 409428.4375 100686.2813 57437.44141 339550.75 65623.32813 75575.24219 317170.8125 80203.30469 126966.9609 650580 77175.30469 115207.75 410782.5625 95451.46094 165982.1094 301822.2188 72090.89063 125695.5703 353592.8438 64139.99609 65827.08594 299030.8125 80757.95313 46391.73047 281524.625 82694.78906 58646.90234 299920.625 60889.98047 61644.62891 329733.4375 106598.7578 91487.69531 339023.625 107808.1484 105555.5234 341183.4375 105280.8594 107760.1641 399198.7188 110413.7109 119166.7969 384488 D-Glucosamine 6-phosphate 101047.9688 81877.14063 71722.53125 96452.22656 76659.97656 78121.46094 113649.1641 77377.75 74357.85938 90684.00781 91410.64844 68048.53906 135042.8125 225144.7031 221256.7969 267685.625 322599.875 277035.0313 334235.3438 397099.3125 393893.0625 426790.5313 377932.0313 313261.1563 110132.0156 76770.3125 75163.47656 86226.28125 80862.58594 81015.65625 97587.25 84199.97656 79140.78125 90822.50781 93445.60156 75181.75 208998 201800.3281 221714.8594 264094.4688 330565.7813 305641.2813 386490.25 393751 273086.6875 381441.9688 540189.625 366071.4063 92534.35938 70394.57813 74889.8125 94093.47656 85356.17188 93779.07813 89014.85156 95058.75781 70840.5625 101825.0703 82151.60156 73232.28906 174432.4688 199820.7969 289656.4063 204277.6719 318052.3125 255182.4219 320549.6875 369411.1875 323885.3438 390674 413822.0625 404858.4375 95752.49219 85568.78125 69162.39063 94781.71094 89435.42188 78587.46094 95763.07031 92695.28906 79536.94531 85840.53906 104170.4766 78014.77344 191254.5469 183780.9688 197003.2813 270619.6563 281217.625 265965.5625 314137.5 394633.4375 307833.7188 398371.5 411067.125 344549.5 D-Glucose 6-phosphate 415951.5 748871.5625 244098.0781 627550.875 596130.3125 305150.0313 852323.375 584031.6875 337853.5625 733455.125 519301.5313 373199.8125 183174.8594 275326.3125 156850.0781 775357.5625 216372.125 165205.9844 606970.5 953900.75 978496.0625 227866.6563 236927.5938 181621.125 440046.9063 829948.25 339523.8125 578673.1875 598313.4375 303060.4063 420765.5313 577462.9375 402739.4375 980671.3125 508374.5625 462811.2813 601937.125 653108.5625 658859.8125 241385.6719 217332.4063 169927.9375 1083403.125 976981.625 991350 1045599.438 1021648.25 1203975.125 573090.0625 833094 335671.0313 475888.4063 625013.5625 240776.9063 769786.3125 661254.6875 308701.7813 624460.0625 568678.5 376490.625 399208.75 587636.5 556674.125 116885.5078 221339 179937.6094 162379.625 180991.0781 196289.2656 136650.3125 295434.6875 143580.6094 555982.5625 636428.25 274318.3125 614585.75 681207.75 279024.2813 717191.75 576798.375 334291.9688 741726.5625 641747.5625 456847.9063 445706.6563 826807.625 652108 171222.8906 175521.0313 163458.9844 211805.4531 265174.5313 205549.75 214652.25 283465.0313 160923.125 Dibenzo[1,4]dioxin-2,3-dione 84983.04688 85882.02344 56586.34766 78072.61719 66648.71094 54026.84766 94661.5 74080.78125 77739.88281 80791.09375 39669.13281 74661.33594 27564.02344 36495.55078 29746.27734 13981.1084 9963.947266 12905.26074 13877.49609 11929.32324 18382.73633 13750.15039 10883.06836 19501.84961 51489.31641 81790 63477.65234 83715.45313 52641.58203 85684.60156 100088.3047 60865.45313 94540.49219 155884.125 66946.90625 143604.5469 18919.05078 19931.16992 28559.26367 10491.33984 5800.093262 16506.93164 10101.02637 15264.68945 20087.24805 14078.21289 12860.02344 15457.66895 71033.34375 59458.35938 61236.03125 53652.35156 54240.84375 55959.60547 83504.96094 57839.3125 89539.33594 77298.26563 50663.02344 93835.42188 20163.60156 30426.84375 38366.59375 9774.166992 12554.69531 16288.87207 12657.84668 13347.51465 16199.4248 12428.49414 12856.02832 18483.28125 67513.60156 77962.84375 74027.34375 59753.53906 53842.09766 61308.66016 105047.7422 52542.6875 104098.0156 102283.6094 70633.82031 137110.625 28842.45898 25017.39844 21133.03906 12653.01855 5825.625488 16439.97266 10968.23438 12276.00195 18135.82813 17753.03516 10203.2832 16577.30664 dibenzothiophene-5-oxide 62293.86328 41176.44922 102806.2344 87192.01563 60173.29688 121399.5703 45900.75 53212.97266 50297.25 60324.16016 66220.78125 104817.3438 85468.32031 110220.1328 120800.9531 148145.1875 122529.4375 172015.8438 77409.95313 186205.1406 137898.5313 124555.0391 122190.4688 99907.90625 63705.78906 54519.74219 137641.8594 72254.6875 54890.71484 98907.10156 56754.58203 43919.42578 134864.2969 81447.21094 61358.39063 102195.1875 114049.5859 139535.25 104856.3516 126483.5 115849.3984 136411 186336.9375 103197.5 154222.4375 91716.5 126516.1953 99340.07031 79064.51563 60093.76563 98688.14063 61936.85938 57296.77734 183046.5313 84852.08594 58886.69141 112243.3203 114060.4531 51436.28125 93695.32813 108715.9922 148886.3906 171615.75 94295.73438 175070.5313 127266.3203 71534.45313 141316.7656 106439.5469 68217.72656 128151.8359 107177.4063 67761.13281 58902.41406 93264.26563 68512.89844 72290.16406 131809.4688 78204.53906 59483.57813 97935.10156 58441.28906 52324.81641 186327.1719 98997.75781 149279.6094 131500.1719 86942.14063 130221.6719 117594.5156 95033.46875 118077.4922 120092.9453 83836.78125 100909.5313 95810.40625 Dihydrochelirubine 70232.16406 86752.72656 119228.0703 79402.67188 77921.80469 107128.3125 75842.96094 73306.82031 123002.7422 57058.17578 70218.21875 142396.0938 241321.5 316175.5625 273847.8438 360606.75 500719.7813 359642.6563 460146.0938 637786.875 550433.375 538574.4375 700180.5 548414.625 64030.82813 63219.82422 78020.03125 57657.03906 73333.21875 124822.5156 75461.97656 83616.625 126015.4375 81297.47656 104772.7188 108236.25 239638.4531 313803.9375 202015.3125 415059.5313 485815.0938 327836.6875 474619.25 624545.0625 464760 557529.8125 806799.9375 584192.8125 63280.14844 69318.63281 117387.3984 53816.80859 71487.88281 111254.4141 61001.25391 83459.95313 79668.72656 89021.42188 81435.51563 106044.9219 193954 350213.5 478167.2813 299415.0313 484848.875 371007.8125 391252.9375 618351.0625 409412.5938 525214.625 836652.75 605072.5 60370.11719 76976.02344 123213.5938 70163.9375 102441.5313 98375.23438 68629.92969 89239.29688 106715.5078 55384.03125 128998.2813 106435.0313 203328.0469 360033.5313 212122.6875 359922.625 487849.5625 302800.8125 402602.9063 628387.6875 452511.3125 581903.0625 759500.0625 619860.3125 Docosa-4-7-10-13-16-pentaenoylcarnitine 0 0 68889.84375 0 0 53455.47656 0 0 67753.28906 0 0 79621.89063 77632.75781 94402.42188 108186.6328 47583.98828 82483.48438 97902.03906 55263.32813 90605.38281 80258.38281 55057.69531 72454.375 65570.02344 12193.83008 0 46778.48438 0 0 43996.03125 0 0 41547.83203 0 0 26780.75391 89753.15625 117570.0313 96170.11719 74223.75 70167.42969 71200.52344 103184.6797 89491.14063 88032.23438 67864.42969 83843.19531 65210.64453 16499.82422 0 39867.75391 0 0 32845.4375 0 0 42120.89844 0 0 47857.42578 55889.17969 96577.80469 152810.2813 41278.32031 68013.78125 72181.60156 77047.375 95874.53125 69168.3125 64045.66016 77310.97656 74922.03125 0 0 54734.19531 0 0 87988.79688 0 0 55712.53125 0 0 58327.04297 78464.48438 117282.6406 100128 78674.125 64474.80469 93241.59375 94637.9375 75757.91406 85998.20313 47165.10938 74180.13281 92179.125 Dodecanamide 293559.9688 276128.6563 268289.875 210849.4844 293285.0625 303076.125 203149.1094 339786.6563 302824.7813 252255.8438 179202.1719 286306.125 323007.5625 293484.5938 400028.2188 200605.2188 241032.7969 382420.9688 168540.5156 262465.0625 311625.75 180314.8906 206194.8281 288899.5938 137985.4219 336571.6563 449875.0313 311009.2188 233071.6094 184302.8906 211051.7656 265404.8438 525236.6875 230927.625 278509.2813 541703.5625 255474.7969 294593.375 364379.4688 212580.9219 375443.5313 274176.7188 262309.3438 289481.8125 211390.9219 278018.7188 230389.7969 329982.1875 249093.6094 366215.75 403647.4688 152092.2031 199067.2031 366768.375 325739.2188 358298.4688 364355.3125 191027.6563 219711.3906 369976.1563 221638.2188 140376.375 376167.4688 232453.6719 184732.2344 307104.5625 137028.25 389619.0938 399980.9688 166024.3906 221620.0938 271645.125 245513.3438 324291.2813 283449.8125 217227.3594 335030.7813 275521.375 253151.6719 337354.4063 420919.625 342041.0625 197513.3906 379176.0313 156374.3281 342346.8125 453755.0625 336260.2813 292185.2813 304901.1563 275504.0625 468179.6563 378587.9688 329677.7813 251223.0938 260111.5781 D-Sedoheptulose 7-phosphate 71276.02344 81734.72656 76339.88281 68816.03906 61059.39453 75326.00781 69476.96094 62091.89844 83255.61719 57300.49609 46182.65234 88383.38281 85926.34375 101145.1797 203169.0469 145121.4844 180883.7344 254483.5938 213130.0625 333160.7813 341318.5 334283.4375 329609.125 379193.2188 58783.17578 69491.69531 75120.66406 70077.40625 58875.05859 96456.58594 54199.24219 66689.19531 109958.2813 106855.3047 69400.29688 118713.9922 93308.84375 121360.4609 156231.5313 159697.1094 198246.1719 236714.6875 203626.4688 222822.2813 302233.5 361554.9688 519659.0313 396968.2813 55026.00391 76452.58594 89833.59375 47476.1875 60966.33594 71294.45313 64914.95703 63563.67969 92380.57813 70316.0625 65452.48047 94935.29688 71725.07031 130344.8203 306089.0938 115337.8672 261350.4063 277161.0625 189773.2969 343405.875 330676.0625 270691.5 340992.1875 416823.5313 43269.74219 88564.45313 92450.01563 48540.00391 69668.74219 77326.375 76033.29688 58330.72656 90730.76563 71493.47656 65370.51172 123523.7578 87055.82031 115502.6641 140060.6563 144404.1406 175204.6406 233972.9844 240253.2969 294688.6563 353537.7188 290280.5 384522.7813 424111.375 Ectoine 24156.87109 35476.70313 87008.40625 23618.40039 38524.84375 47518.42188 22734.19922 35731.28516 55752.26953 19164.0918 29922.32617 53658.20313 26901.72852 40722.92188 75036.08594 34867.60156 62047.3125 35796.01172 32002.89844 42036.81641 66499.41406 28118.46484 25880.52539 49938.96094 20390.33203 32555.72461 34151.77734 26404.75195 28678.4043 54287.43359 27964.5 37787.51563 55049.74219 28185.88281 31401.01367 47687.75391 36858.14453 34096.0625 45877.77344 34084.66406 37610.24219 68882.90625 38856.48438 102656.4766 56018.69141 44008.85938 36238.28125 43955.23828 21908.00586 31523.3418 60807.40234 19878.49609 28232.17578 32936.25391 20978.63672 26570.77148 40772.55469 26284.5625 38937.95313 37001.63281 13545.48926 53807.74219 145821.0156 18766.71484 48115.05859 39422.69141 21480.41016 53495.70703 48149.66016 26201.32617 45583.42578 43141.92578 12978.19141 47390.06641 53571.57031 33321.58203 41316.875 44689.42578 28566.60352 27897.73438 47835.73438 19166.8418 22268.74609 49376.54297 17302.8125 44384.74609 63398.78125 49532.24219 70268.78125 40383.27734 62699.12109 48344.05078 45573.82031 39955.99609 60299.32422 37673.26953 Elaeokanine C 38442.59375 65604.17188 47833.60156 40507.14063 112838.0313 197608.6094 30494.31055 111514.9766 53910.80859 41726.63281 104460.3672 173638.0469 31121.35742 70902.57813 115075.1484 54694.22656 108643.6719 54929.71875 59625.57813 104208.9688 157180.3594 123354.6719 130393.4375 197783.5625 27995.72656 74931.35156 86445.22656 66095.28906 95812.53125 119291.8672 38917.92578 182576.25 89516.73438 92596.20313 102004.3125 105977.7031 24576.94727 110007.8828 150352.7656 45238.36719 95478.91406 70125.98438 77118.94531 172949.9375 143450.375 82565.26563 195619.2188 169143.9063 51881.9375 58140.13281 33383.05859 24725.78906 104038.3672 161116.7344 61419.16406 52656.74219 237366.0469 83365.36719 109084.3828 171625.7656 37115.03516 87154.67188 168981.4219 40032.86328 108328.9531 91245.92969 49417.43359 101314.375 130271.1484 57089.05859 122305.5547 225418.7969 27810.0332 72681.27344 45033.78516 68234.67969 131804.9219 167942.0313 69837.72656 127490.3672 92641.42969 71534.14844 97670.23438 131201.0313 25858.18945 123710.8984 60074.84375 68299.82031 103718.4375 53656.375 109492.1953 142473.6875 78317.57813 59752.83984 105925.0938 103115.6406 Epigallocatechin 3,5,-di-O-gallate 161999.3281 175373.375 129265.6406 324541.4688 281540.125 335512.25 577093.3125 316488.375 422975.5 406644.2188 362107.2813 285743.3438 49831.21875 43790.71875 35254.31641 95334.8125 56013.46875 32311.82813 91632.07031 71930.45313 30677.33203 65260.80469 122592.1953 25111.34961 148695.0469 134298.5781 104737.75 178008.3906 143950.375 171054.4375 121590.5859 187136.2188 204811.375 107155.5703 156171.6406 138921.875 74078.8125 66457.75 0 78902.57813 89241.78906 43895.19141 64424.15234 55992.07422 47258.57422 84855.33594 99934.26563 37905.125 144960.3281 132960.9688 120361.2422 257396.5156 250262.7031 253751.1719 355955.875 332012.8438 306782.2188 401851.1875 400911.875 354716.3438 67109.125 71388.30469 35859.83203 57562.53125 69166.03906 25583.92969 53859.58203 76658.78906 37763.19922 77689.05469 80795.44531 38251.47656 242329.1719 186692.3125 115007.1484 258286.7344 174119.0156 240953.7656 397034.375 366379.0625 305862.9375 375315.8125 384307.4375 321252.75 80480.00781 62826.02734 25025.28125 98920.65625 98545.75781 44178.28906 89465.79688 53684.75391 17028.99609 64581.71875 103039.7266 31798.62695 Epsilon-(gamma-Glutamyl)-lysine 31432.12109 29530.625 26980.21094 26689.15234 27107.94727 15316.1377 27900.98438 13314.74902 5921.032715 19319.00195 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23003.15039 20709.60938 16922.2207 51866.78906 33464.80469 28016.33008 89829.09375 33757.4375 42899.76953 113188.9609 50828.33594 49533.55469 0 0 0 0 0 0 0 0 0 0 0 0 39699.32813 15655.19531 27435.13867 30213.26367 21875.27148 19742.54883 35336.62109 14874.70996 20794.01563 55785.87891 6778.394043 10651.5791 0 0 0 0 0 0 0 0 0 0 0 0 34281.14063 24814.69141 19933.85156 49937.86328 26909.94727 27737.23242 49138.08984 21186.73047 21572.37109 52797.42969 27125.72656 13097.84375 0 0 0 0 0 0 0 0 0 0 0 0 epsilon-Caprolactam 78518.71094 77636.71875 118467.0391 65758.46875 72627.05469 100484.4922 70856.21094 60077.41016 100149.6563 58238.77734 45166.04688 117429.8828 95277.07813 105851.4297 82868.72656 31582.83594 91785.92969 102524.6563 74942.60938 53563.90625 105472.5703 112943.8594 90169.44531 77190.34375 51199.77734 42562.01172 47858.51953 75786.13281 77759.53125 61945.58594 34324.75 71201.52344 102257 93222.52344 136928.375 51116.40625 95488.75781 63411.08594 107546.1563 83317.53906 90446.60156 107663.9063 72663.53906 83827.27344 64851.93359 86215.66406 61904.74219 110648.7813 31844.08789 35333.94531 150936.8906 78115.58594 120561.1563 67301.10156 60164.23828 67538.41406 74405.48438 66413.40625 64482.17969 67307.39063 65897.00781 90451.25781 110755.7266 55301.76953 56135.00391 54039.19141 60107.45703 61380.14453 63274.02734 27579.94336 75605.57031 73459.8125 49859.60156 72700.57031 93010.53906 54444.34375 83771.23438 88353.32031 63873.95703 132374.8438 117230.375 44413.08594 83888.67969 117230.4375 73197.61719 63550.25781 60473.32031 77064.66406 92345.07813 89536.375 110609.5234 57836.42969 63531.56641 81541.02344 79461.625 91288.99219 Ethanolamine phosphate 720859.5 604813.5625 368195.5313 999833 661898 480381.2813 1590291.125 845467.625 733376.625 1566512 929012.3125 839768.875 35368.76953 41393.53125 44326.80859 41980.10938 39807.52344 38524.76563 36927.85938 38378.98438 35197.98438 47040.78516 35606.84766 32572.14453 681977.0625 500543.4688 348752.7813 573129.4375 612167.875 407934 885678.625 654325.375 615946.25 1407196.75 831075.6875 831855.5 47602 39886.80469 56296.21094 45194.4375 39792.10156 45055.06641 42181.78125 31172.17188 28281.51758 42303.05078 40085.65234 33908.43359 584579 497219.9063 340875.2188 705399.0625 711608 442437.7188 1650224.5 1197947 926643.5 2278698 1172282.75 1153278.875 46098.85547 45019.14453 67571.78906 38125.45703 32731.83398 49568.71875 34890.40625 39114.48438 27033.25781 29999.23047 43398.79297 27043.0625 708935.3125 502721.125 334045.3438 862367.5625 669276.9375 467252.7813 1741341.375 960961.4375 963401.625 2393410.25 1216217.625 1303260.75 46022.33984 45083.55078 35340.95703 41429.64844 38898.80859 37732.18359 41079.12891 31761.65234 39507.27734 37943.46484 45412.66797 27303.60742 Evoxanthidine 158355.2188 126678.7734 27210.54688 157414.2188 139691.5 20218.73047 206710.8438 205631 0 142510.9219 181546.125 22824.91602 344347.0313 475671.875 47235.80078 309387.0313 220800 50166.57813 184059.8125 172231.0625 16883.41211 205798.9375 210097.75 37444.19922 119289.5156 130664.2188 16631.30664 135007.7969 137288.3906 0 115170 175147.4531 21290.54102 158924.9688 135512.2344 0 268918.7813 188396.9688 37249.69531 373087.2813 287679.875 45254.26953 268887.4688 284794.1875 34374.21094 349193.7813 239699.8438 30112.95508 205346.25 131443.1563 45584.3125 179465.3281 215431.2969 19972.18164 159735.0156 289989.6563 0 184149.4688 182792.5156 18578.54883 177917.9531 404629.625 53051.15625 234535.3281 358559.3438 49971.61328 185056.2813 310030.4688 30798.84961 211409.3281 188201.0781 40697.83594 197194.8438 144864.0313 21213.11328 201387.5781 91536.72656 11965.91602 191400.0625 202280.9375 36618.26172 111038.2969 171524.9375 0 251070.1406 252869.8125 15077.43457 250896.8594 232429.7656 37875.10938 180337.625 211783.9688 22677.7832 257511.2188 312159.25 50878.42188 FA (12:1) dodecenoic acid 97152.67188 162960.8125 153723.2969 120083.9297 100275.5938 137686.1094 130593.6484 152106.0781 173220.6406 93893.28906 96166.94531 158574.75 70480.65625 121512.3047 187941.3906 106439.0391 130152.6328 149442.8438 101340.9453 101102.2266 214477.4688 145772.8125 134773.8906 163315.9219 67795.55469 135458.7813 171775.1875 35666.77344 143757.3438 186590.1406 90179.02344 100040.375 147296.9375 83922.85938 124000.1406 110283.1797 143383.3438 92765.03125 113930.7188 163839.6406 109797.5 135041.0938 108813.3359 131809.6875 141920.6406 124240.8984 104784.6328 153064.4688 97169.85938 102179.2188 145216.5156 85072.71094 167993.9844 120616.7656 88886.53125 133079.0469 116625.0781 107675.6406 97409.58594 124511.3984 66041.25 119072.4766 109600.8047 87387.35938 106285.2656 135604.8125 95561.375 153141.4688 143680.875 106588.1328 138416.4688 124529.4297 124555.5234 104494.1016 150410.9063 78626.17188 106912.3281 131300.6563 90914.82031 136092.0625 169873.7188 96170.67188 144348 157457.3438 91668.19531 122129.1719 150485.3281 115753.4766 122749.625 183490.4375 215465.8281 135323.3281 163850.9219 111068.0781 123199.5 170193.1094 FA (12:2) 86691.88281 120111.3281 86167.69531 75511.24219 94315.25781 96835.02344 66187.41406 55260.96875 81604.09375 81292.72656 102702.4688 49859.01953 40205.29297 83197.6875 108072.1094 49165.08594 94262.30469 80067.38281 79130.16406 44269.89063 45757.64063 65080.45313 106743.0234 63924.49219 27875.5293 79733.71875 81948.76563 52053.23828 71960.07031 70641.76563 59181.00391 87321.23438 83251.25 91548.125 98228.125 70925.21094 80987.83594 54719.85156 102961.6172 82342.82031 82745.63281 101014.9063 83169.04688 86183.61719 69417.00781 99533.22656 149588.9688 84997.5625 123849.4844 72039.35938 59574.88672 93968.97656 72405.3125 50594.98047 54503.60938 66584.51563 77618 146152.4688 66489.5 81604.61719 48248.91406 62854.89063 36980.47266 61429.29688 86084.6875 84480.23438 64996.45703 47157.05469 68787.5 62811.73828 74596.42969 51899.82422 91096.94531 78454.73438 76255.42188 69676.52344 83370.14063 58922.85156 89169.39063 102363.3828 70377.39063 81909.13281 57680.39844 78388.40625 53497.67578 59431.30469 87723.16406 78646.14063 89836.73438 56291.03516 91047.76563 92141.3125 104738.7266 45367.88672 69986.63281 78930.1875 FA (13:2) tridecadienoic acid 110436.6094 229523.3594 266271.5313 493691.2813 1047849.563 2212339 206777.3281 465715.875 137183.2031 877581.9375 254299.3281 348684.0313 316640.75 1116748.375 958248.6875 229396.4063 426160.875 254632.8906 474166.5313 729734.5 988021.875 483188.5 440921.2188 1131126.875 93349.61719 295990.0313 142216.2344 447607.25 404589.3125 192211.6563 145186.2969 439356.5938 328314.0938 374792.5313 218385.0625 316868.9375 121651.1875 193527.6719 106789.9141 424590.5 836259.875 702701.875 710573.25 1121776.625 1645603.625 263308.3438 407591.9375 352286.9375 600595.4375 643451.6875 516244.8438 257846.2188 246321.9688 677683.8125 250891.1563 558178.5625 1185387.25 442525.5313 316847.4688 344846 259108.6719 942892.625 1158337 450013.5313 1005130.438 377815.875 136832.5625 286567.0625 393508 643853.1875 919188.1875 2545351.75 218384.25 536615 339742.0313 460098.2813 965769.875 2011851.5 743890.625 1002978.5 717878.8125 536815.625 341577.5938 555233 611540.3125 1020669.438 360605.0938 212491.4844 417280.4375 159939.7344 455364.4375 827284.9375 215425.5156 435858.3125 440154.4063 422060 FA (14:1)nonanoic acid 143191.7656 141766.3125 136787.1406 127106.4766 136706.9219 143165.6406 187675.5625 174861.4844 173237.7344 125288.1406 131329.5 168846.8438 137826.0313 173095.4844 165943.7969 156716.25 141318.0469 153881 131032.6094 140158.0781 158419.1719 133514.5 155959.5313 147580.2656 130143.1797 130234.9297 172190.125 124364.1797 133798.6094 149707.7188 160345.6719 171603 181495.8125 156705.9688 129367.1172 168302.3281 113900.3203 126092.9063 133910.5938 138640.0469 155466.2031 184297.5 138449.2656 165553.9375 163691.6563 166863.9375 139448.9375 159515.3906 128949.6641 155217.3125 183144.7188 163557.875 129160.0469 181240.6875 121532.2422 152391.0469 152536.4063 141982.6875 168745.0625 171430.7344 170067 162601.8594 172876.6875 130827.9375 132700.4063 170364.4688 133594.2188 184007.625 174026.2344 128492.8281 132524.4844 168180.5938 166683.1719 160667.0156 165962.9063 159802.625 136858.8125 169996.375 190030.5469 132493.8906 120867.5391 115804.1016 163623.3281 181517.6406 116401.5625 156435.6719 154684.0625 136761.0156 193668.6563 159599.9219 128344.6875 135693.4219 162192.2031 145775.3906 152187.7656 170221.9531 FA (14:2) tetradecadienal 64834.99219 128230.7422 266263 100996.2344 137198.4688 86172.07813 109867.9688 115036.6172 138211.5469 215112.8438 208510.375 352058.7813 251514.6875 144520.6719 274111.6875 288703.6875 307674 779936.0625 130974.3125 284661.125 321310.3438 114183.0703 53015.30078 77336.82031 215472.7969 139965.3438 370571.1563 187186.5625 111982.9688 78917.63281 91299.875 110999.2969 109103.5078 134890.5469 125612.1953 107175.1172 291541.375 276423.9375 184992.3594 62778.65625 50772.98828 418116.5625 110354.2813 178646.3125 97764.71094 94606.11719 125971.75 381841.125 197014.8438 99555.08594 192730.3594 195843.6563 241695.5 261852.9063 244371.5313 136366 180541.5313 100298.3359 126769.6172 231068.1563 176014.2656 289459.7188 533374.5625 58400.85156 108420.3672 101331.7891 79380.67188 332181.5313 89243.46094 317180.6563 271582.5 206092.2344 138139.875 279680.3438 403028.8438 89018.91406 96650.16406 165329.4844 73263.77344 73000.58594 92260.47656 107632.0078 119606.4922 150163.625 168053.3125 152546.125 92694.45313 112315.4375 74525.40625 103749.3047 200051.2656 97959.99219 330608.7813 334292.5938 55785.09766 81288.11719 FA (16:2) 230559.3438 461524.2813 292156.5625 250862.2813 343512 607053.3125 267326.1875 207118.625 211235.4375 408241.125 214647.9844 471489.2813 299624.9688 147290.2344 251151.375 242295.4688 375558.2813 645337.25 95007.99219 496234.5313 434349.4063 235458.4063 149294.0781 318508.9063 333909.0313 276404.4375 600441.5625 168985.8594 293687.1875 667493.3125 339646.3125 304232.1875 426460.2188 364354.1875 364992.0938 264358.125 379923.625 313431.8125 487127.8438 109533.8281 306877.0313 616713 282678.6875 505132.5313 395494.0938 534377.1875 343337.0938 353456.0938 449113.4063 217138.9375 474795.5625 204806.4688 248621 270902 257413.7813 101210.0938 136564.3125 161029.625 275012.7813 229699.7656 255089.875 283014.1875 746657.25 115917.1641 407933.2813 408417.75 177154.9063 480261.4375 440886.3125 319406.0625 489765.875 309352.9375 207474.2656 377299 462090.625 197089.0469 338833.4688 423648.3125 198085.9063 299911.7813 251269.4219 236958.2813 386758.0313 316371.3125 137124.3438 335899.5938 153107.9375 128592.0547 324203.6875 478588.3438 250425.7031 128128.9297 411696.8438 328911 147051.7813 305059.9063 FA hydroxy(18:1)] 3719425.25 13890306 1216361.5 2681980 13721021 21632420 7225267.5 4349801.5 7208013 10398441 2006507.375 9670022 12593559 2105893 8747617 3408219 12837011 23600124 865045.75 21159910 21243162 12825312 1025645.313 17976912 10006329 3444308 21807224 2759178.25 4139273 19380930 14013099 8519270 13779023 14084993 13265644 3414970.75 6409902.5 7734717 20208744 2279519.5 10417668 28761182 7221182 21765968 6194670 22107726 8795726 8784495 7396755 4479498 8483692 4231657.5 10285345 6472287.5 5822434 1102433.875 2192735.75 2722945.75 7244821.5 3780734.25 11192804 3791710.5 32360510 1368914.375 23067234 21776160 4730492.5 17331272 15129077 9653380 24000926 7720334.5 3627155.75 17159322 13500874 3118023.75 11189692 16366561 3255368.75 6940312 5886298 7621019 14033054 6310958.5 410809.875 1712675.875 412974.6875 1985617.25 13419982 20194594 6134395.5 1875590 21643028 15075453 3845487.25 6000033 Fenothiocarb 174757.125 184693.3125 198722.0625 242116.875 152376.8906 260059.9063 206952.5625 230052.2031 231911.0469 184889.0469 235755.5 221326.7969 178609.4688 247108.3438 160283.6563 219550.9844 262828.8438 210708.8125 153954.2031 243446.3281 183001.2813 278905.1563 275208.625 171461.2813 132461.875 187607.3906 220437.1563 152631.0625 162956.4375 211164.5156 207652.1406 200517.9219 238689.625 191553.2969 187818.7031 269001.0313 185377.5469 269375.4375 222824.375 266529.1875 261057.6719 194909.8594 198372.5 259873.9375 216452.7344 263917.875 246310.9688 164817.625 210172.8438 195065.9531 218473.0781 141571.6563 176435.875 179503.5313 235168.75 224852.3281 248840.1563 273245.2188 188778.4688 210842.6875 183920.8438 218061.2656 280394.25 211229.2188 242721.3281 174561.4688 182935.8125 187965.5313 185494.1406 178088.0625 244157.9844 101990.0625 185181 163328.5625 218407.1875 177393.7656 201405.2344 206564.2656 237646.4688 207486.2344 211371.125 194638.2656 186724.3906 208761.2969 180689.6094 214722.5 133802.375 232261.9844 222918.5781 219867.7344 227895.4531 298235.4688 211874.2188 242437.2969 267964.4375 230654.25 Fructoselysine 6-phosphate 123361.5547 93732.60156 118248.7891 155738.4844 101315.0313 128802.1406 170108.8281 112085 123159.4531 154811.5313 137122.9531 134206.125 30334.39258 39269.35938 46403.84766 42170.26563 39128.86328 54242.10156 32533.87109 41499.52344 40031.3125 33473.77734 38531.85547 40294.66797 111423.5078 87365.69531 103150.4609 153077.5938 106015.375 107361.9219 222786.4375 124150.8516 173147.9688 276751.6563 160392.7813 210045.5313 38001.00391 35113.375 36153.65234 42880.05469 38904.28516 37268.41406 38938.19531 43301.64844 43006.92578 40326.28125 40850.55078 40745.66016 133943.5156 96109.55469 93032.375 131612.4844 110855.3125 121549.3203 169476.2813 137105.0625 134642.9219 198098.4844 111423.7734 150400.75 38118.65625 33764 75722.3125 30119.56445 33614.03516 45664.76953 29349.60938 39496.42578 39494.83984 30915.0918 40086.55859 40924.53125 122538.2266 112339.7656 103552.1641 143226.4531 111260.7188 105994.9453 187733.3281 116833.2891 106524.3672 199391.3438 124887.5859 147946.0156 42787.85938 29243.4043 37893.20313 41156.48438 40559.78906 42367.77734 39044.53516 38812.33594 45694.60156 40651.31641 46072.17969 43062.32031 gamma-Glutamyl-Se-methylselenocysteine 160688.5625 161979.9219 137108.8438 163003.9375 170481 152859.2188 153812.4531 142012.2969 174421.8906 164584.5625 94200.8125 207598.875 140984.625 183806.7344 304611.2813 274338.5313 317940.4375 419640.8438 241015.0156 494346.125 550747.75 518806.5625 538061.4375 618899.0625 113193.8828 161504.7656 137137.125 146233.625 168963.5156 209755.0781 205355.75 138901.2188 215506.1563 293604.9375 148426 276416.7813 207668.4688 237415.6719 294450.1563 297091.2188 265459.4063 444350.0313 261284.4531 330268.25 444535.9375 621517.75 670295.75 645925.5625 169171.2969 162872.5625 162120.8438 112037.6406 133528.5781 155568.0625 129230.9922 137779.2188 210699.2969 167656.5156 114254.5313 241462.6875 86992.51563 219437.5313 464489.6563 201824.4063 369540.375 529818.3125 347812.4063 600952.375 497983.9375 415324.2813 484138.625 729443.25 104679.9219 195526.5313 185231.7813 109907.8984 135624.9688 173057.9219 185637.9219 155862.8438 188900.4063 170134.0156 125914.8281 256339.2813 130384.7813 226527.7344 232231.9531 222566.3281 334150 421192.1875 368091.6875 474545.3438 575488.5625 538612.5 533395.25 727900.5 gamma-L-Glutamyl-L-cysteine 92384.32813 64022.94531 69005.79688 87034.27344 108295.2188 103459.9453 75680.49219 128536.5313 67911.33594 108554.6797 94724.42969 87280.875 12170.42188 23167.1582 25475.0332 22947.6875 24478.19336 25788.89258 16457.52148 23005.54492 16560.21094 20446.04102 26564.00586 17152.72656 51175.05859 131401.9688 84289.92969 72086.25781 96684.71094 73183.25781 79680.50781 80165.04688 63253.10547 113723.7813 103199.8906 79123.80469 23022.51367 29171.59961 23209.73438 14602.40332 22507.37695 17693.05664 19947.20508 21161.28125 20764.24414 26131.26367 18471.14844 18938.16602 114006.6641 78989.05469 72708.5625 65189.97656 98790.34375 97871.9375 101191.7578 102772.7266 65912.09375 101554.9453 92462.33594 91822.94531 17795.39648 30558.10742 37393.40625 19349.58398 17349.72656 28047.04883 16430.89453 27001.96875 12841.81055 24633.24414 29315.92969 19453.43164 92786.96094 97620.98438 90984.72656 76380.46094 84119.41406 89297.78906 96840.42969 87405.64844 69916.27344 78969.53125 98724.64844 87937.42188 24086.17383 17872.22852 17798.51758 19323.65234 17161.51563 22698.20117 17407.94727 23635.35352 21855.74219 22281.80664 29305.23047 24193.18164 Ganglioside GA1 (d18:1/24:1(15Z)) 43957.66797 166345.2188 173655 72102.73438 38522.35547 110513.2656 74502.33594 123286.1016 387107.5625 161077.2188 536010.8125 167953.3594 46634.58203 93781.95313 87184.72656 168351.9844 66536.1875 132830.7344 55461.39063 143527.75 139643.5156 248213.9375 141357.8125 132517.6094 62455.34375 84450.125 115428.25 80680.28906 76740.76563 246686.4688 40693.90625 85302.67188 241363.2031 79718.15625 106979.4453 133592.3438 132963.9531 106041.7969 539603.125 86864.54688 132076.6406 311022.125 222185.6563 84319.76563 112562.2266 73043.63281 75815.24219 234951.1719 97012.54688 93565.60938 88758.61719 52583.49609 274746.125 98201.5625 144933.5469 124103.9297 152803.0625 58107.57813 248748.5938 101539.6406 83392.57031 135710.4219 15375.50195 42016.03906 196157.4375 105094.3203 45993.71484 122377.5313 150890.0313 67744.35938 72404.97656 201530.4063 72400.08594 94096.07813 46630.12891 131696.5313 96250.89844 105626.2109 181920.9219 270737.9063 127111.8984 102133.0547 70984.875 134125.4063 131641.9531 57998.80859 64298.42969 77107.96875 103322.4141 105666 52734.79688 95171.50781 271285.1875 291914.4375 78045.78125 105428.4375 GDP 36663.99219 44581.25391 28027.96484 46933.57813 31427.9043 45659.23438 58047.60547 32187.81641 61116.09766 42410.37891 34348.14063 55987.46484 41280.15234 39215.14453 103420.3125 49936.89063 59402.94531 106630.1016 94924.36719 46203.86719 157787.875 56880.85547 60258.75 118456.2109 36007.37891 23101.63477 34739.74609 41786.90625 28323.19531 30897.9082 41800.19922 36013.58594 32704.54688 44482.60547 29128.45703 62974.27344 60028.74219 57957.91406 90354.14844 55668.30078 64934.86328 103740.2109 70080.15625 69684.21094 122090.5 76888.26563 80836.00781 104826.8828 28405.26563 30170.62891 32141.95898 35639.26953 34498.96484 28370.38867 58066.75781 44844.28516 44131.11719 35882.0625 44385.55859 52753.33203 65081 60778.48438 115027.6484 63927.36719 70765.25 119344.0313 47592.16406 69988.44531 136880.7656 49403.1875 48890.32813 120260.7266 51121.04688 33985.43359 29081.14648 53038.14453 40850.96094 27300.7793 51273.64063 35201.86719 61754.60156 39469.34766 43156.60547 63394.32422 70790.11719 40863.66016 61459.68359 53386.74609 62494.17969 110960.0313 74796.32031 82346.84375 110993.9531 49797.28906 58860.05859 115134.7813 GDP-3,6-dideoxy-D-galactose 87656.46875 156409.7031 535875.875 99728.55469 143849.7344 127067.8359 143077.7656 122823.5234 195024.4844 197718.3906 120754.8203 122567.6563 39378.44922 89946.84375 585851.9375 76384.625 319839 191593.9375 54816.64063 101513.3203 153032.4219 66701.89063 40039.27344 252975.7656 59000.20703 139096.2969 215767.5469 82987.875 129221.3672 117028.9688 130616.2031 88773.89844 164683.0781 338052.0625 186769.9844 170377.0469 58527.92969 62431.81641 235585.1563 57794.07422 98898.375 191476.6719 58321.61328 207350.625 127086.1641 86929.89063 285214.6563 92245.27344 152469.5469 211161.4375 216759.2813 100201.2422 59110.69141 123308.1484 182287 179798.4688 274953.3125 204630.2188 120790.4453 153342.0469 39610.19141 217514.3438 495846.0625 38255.12109 116367.9688 97363.69531 51293.92969 285103.5938 146635.7188 25473.22266 139826.1719 134489.375 116338.0469 169523.1875 134787.4375 160140.2656 231048.0781 214052.9688 239700.2344 184218.8438 67227.5 104666.9609 182420.7031 275419.7813 43813 76708.55469 153297.9219 84251.92969 336659.4688 140908.5 154926.1406 193107.7188 78773.85938 51059.36719 248720.0156 39130.68359 GDP-mannose 178647.75 213199.6875 131115.9844 222958.7969 139831.4531 124343.2813 267206.125 117393.75 129860.1172 171145.7813 150635.0313 125480.7969 198266.3438 217017.0469 141154.0625 231743.7813 278253.9375 83046.53906 412131.5625 246691.4844 136667.7813 244853.6406 284220.5625 81949.3125 158090.8594 101294.9531 163237.7656 191930.0625 139449.1563 123408.625 162527.6406 162229.875 133960.1094 203363.2188 134768.1875 118371.1484 198338.125 260927.4688 89621.46875 299479.625 324755.9063 96403.14844 234868.2344 223227.0313 89476.95313 318866.3125 375356.625 78981.86719 165904.375 148261.8906 154281.5938 159975.625 167944.3125 117683.5391 196139.2344 152305.875 120843.4141 169705.4688 165657.7188 124457.7891 280506.75 299406.7188 150617.0156 196444.5 246210.3438 100569.3359 220105.1094 226699.4063 118706.7891 217119.6406 228383.0938 77505.24219 261889.3438 140651.1563 155516.7344 260008.3281 155238.4688 134420.4219 213918.0938 143187.7969 119063.2109 233453.0469 156501.3438 155290.7813 351188.8125 188461.1719 83623.51563 216417.8438 268573.6875 95102.98438 237119.2344 312631.9688 98685.74219 260286.625 290722.0625 77948.61719 Glu-Ala-Ser 163587.2813 236732.9688 109495.3594 245247.2188 237301.4844 114706.2734 180334.3438 205451.9375 92998.15625 169063.3281 216221.8281 106718.7656 78410.75781 97765.65625 122936.6641 171423.0469 181141.1094 109373.5313 141213.3281 195374.9844 131448.25 201914.5625 236436.1563 180380.3125 189923.0938 229886.3281 117675.5313 237503.8594 239982.5625 143659.4219 288866.9063 232164.4219 162250.125 260291.4844 441937.2813 161793.2813 102548.7734 127046.9141 80869.30469 153375.8594 212006.5469 132935.7344 228855.5156 179813.0469 136207.1406 235842.5 275938.4063 100721.4531 185175.5625 295228.3125 108746.625 258638.9688 223889.8594 132150.0781 198292.5781 321091.5938 141812.2031 217678.2969 227242.6406 105853.6641 75513.82031 98248.07031 139265.7188 116081.1094 164702 92650.24219 163065.7031 204182.7031 127807.9141 231492.125 286591.5625 99641.54688 188175.6406 202744.1719 117335.9375 220923.8594 303617.2188 192964.3906 240338.9531 239114.5781 108296.7891 246399.7969 265530.1875 111431.0234 88782.32813 124955.9688 101915.1875 213121.4688 168120.5625 132362.7813 153907.7656 246191.125 115399.6563 200384.7656 324075.6563 114848.125 Glu-Cys-Thr 93249.20313 121739.5078 100606.8906 108514.25 101354.3906 83819.9375 100822.0703 101444.7813 102966.7422 104932.9922 81762.50781 87215.54688 119488.0234 146186.3281 74681.78906 116049.9453 152655.75 88303.33594 104129.8203 113754.7734 79400.04688 105764.6328 115313.0938 73595.97656 89209.69531 95271.07031 100810.0469 77746.13281 89491.28125 84916.64063 113515.8359 74295.80469 85993.63281 97623.75781 97775.99219 103897.0781 107367.9375 129236.4766 82583.50781 107492.4375 122438.8594 84851.15625 131260.6875 117058.375 142244.0625 103186.0313 117066.8359 90890.89844 129033.4922 79123.0625 95511.02344 110789.875 89168.39844 74036.13281 97224.73438 93997.33594 95195.74219 120827.2656 97037.75 93354.82031 106690.7266 143049.7344 155419 95634.75 152073.1094 64565.05078 89443.42188 125035.0938 54225.58594 80697.17969 105776.2813 76150.78125 62452.39844 103646.7031 103977.3047 100973.6484 91634.4375 88178.64844 102504.0156 93067.19531 79755.125 82676.50781 92344.90625 101757.2734 74958.46875 149390.1563 105224.3594 128011.0703 111603.7969 71638.84375 140186.7813 131901.0938 87727.45313 128028.6797 108518.5156 80526.82031 Glu-Glu 57756.47656 53169.90234 35938.25391 39674.79297 24101.15625 32806.8125 21498.9668 22303.15625 17933.71875 21006.3457 35816.69922 21133.35352 0 0 0 0 0 0 0 0 0 0 0 0 46959.73438 52602.94922 22817.89063 82539.20313 71482.33594 74470.17188 138746.1094 128369.4375 104516.3828 134844.4219 107028.8594 106716.7266 0 0 0 0 0 0 0 0 0 0 0 0 63004.93359 61930.23047 34767.24609 44378.32422 39702.67578 39435.48438 44241.39063 28462.35547 24817.80664 42110.28516 32230.92773 18271.67578 0 0 9296.946289 0 0 0 0 0 0 0 0 0 66952.89063 56465.75391 30277.97461 70208.39844 56513.64063 45967.67969 56232.45313 35544.83984 22618.5625 49965.60938 36511.89844 21031.67383 0 0 3658.533691 0 0 0 0 0 0 0 0 0 Glu-Glu-Pro 40421.58203 32576.3418 34409.52344 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 39747.07422 31077.89453 38032.58984 105383.9844 51167.71875 57483.98438 99345.00781 68867.60156 87449.15625 184542.8281 119887.2031 101527.0078 0 0 0 0 0 0 0 0 0 0 0 0 47955.94141 37969.5625 33666.99609 23884.62305 5290.532227 8650.177734 20104.40234 3979.172119 0 21463.52734 0 0 0 0 0 0 0 0 0 0 0 0 0 0 59163.71484 27145.05469 32875.23438 40084.53906 14947.37402 15601.01855 31119.48633 10098.47461 4608.474609 35647.71484 10247.62305 0 0 0 0 0 0 0 0 0 0 0 0 0 Glu-Gly 41350.15234 38476.82813 33114.64453 31351.71094 37519.01172 26671.69531 48215.74219 46432.34375 23937.06055 43624.28516 52253.82422 31254.14453 78418.66406 104126.6406 158696.7813 89695.00781 62661.30859 99247.71094 68965.32031 56940.86719 100922.6719 80557.85156 73463.01563 73475.89063 39401.97656 35702.14063 28868.88867 56770.24219 48551.65234 45579.65625 63820.83984 48601.28906 38972.87891 70154.97656 43163.48438 33486.27344 117619.6016 69175.13281 89717.78906 68725.42188 65768.88281 144184.3594 74883.67969 61072.33594 86780.5 111155.1953 95189.21094 73468.82031 48367.58594 34661.67969 30022.84375 26251.18945 32554.02539 25262.10742 31229.17969 25583.125 21736.9082 30724.33594 27620.98438 23271.12695 106274.3047 64225.83203 194863.2969 59580.89453 56302.30078 102523.1875 57211.75 64862.36719 125741.0781 68460.125 86484.03906 87112.14063 51133.22266 38748.76563 35497.07813 46000.52734 42318.5625 33802.89063 69599.25 46609.18359 28264.83203 29504.49219 26644.10742 29353.05273 73979.17969 76227.73438 95393.82813 71782.41406 60722.54688 99884.69531 80680.66406 73343.99219 98783.60156 67708.10156 75672.55469 82999.625 Glu-His-Val 252133.2813 135274.875 193418.5781 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 216522.0781 124563.6172 226665.8594 274511.5 136099.0938 149481.4688 258472.7031 141379.2188 190946.8594 300454.25 226149.6563 235258.9219 0 0 0 0 0 0 0 0 0 0 0 0 255237.8438 133304.8906 232818.7656 78796.48438 12063.87402 14318.50879 55910.47656 13597.30859 8007.412109 60727.44141 6814.723633 0 0 0 0 0 0 0 0 0 0 0 0 0 251481.5313 131183.9531 207932.8594 119397.8125 46834.5 30944.73633 105025.5625 33213.0625 15747.49219 69071.92188 19995.47852 0 0 0 0 0 0 0 0 0 0 0 0 0 Glu-Met-Ser 49435.08203 126466.2891 203824.9375 88283.75781 104823.4766 259292.9375 108412.0938 81410.11719 234821.1094 67955.89844 113322.4063 258771.4844 140678.2813 160454.2188 275271.6563 227097.9375 390109.0625 454261.8438 280435.2813 706375.9375 614888.6875 508455.6563 691728.0625 740575 71188.39063 101787.3984 206294.7188 73533.28906 104217.0938 309024.9375 67342.11719 137605.6406 243933.75 103913.1094 165607.875 308721.2188 160841.5625 326069.8438 276529.625 305070.4375 386309.0313 414131.5 377068.4688 482820.7813 661423.1875 442756.6563 1236965.625 878305.75 58998.91016 138281.7813 217762.8594 61514.52734 79047.46094 273612.9375 68774.61719 128831.0469 252709.375 79726.22656 166208.8281 247250.0156 154463.3281 259627.75 403163.1563 219829.875 381403.0625 399631.75 274908.9688 528742.4375 565893.6875 423648.7188 678329.4375 732294.5 70004.67969 111784.9219 231218.0313 67790.05469 114807.625 278741.8438 78516.875 112769.2266 188536.2344 65941.41406 152095.125 242214.5781 184411.7813 221535.4688 307215.5313 183004.625 294288.5 390569.5313 310037.6875 602699.25 442260.3438 548826.5625 691781.125 652232.1875 Glu-Pro 264165.6875 178257.4219 114960.9219 22495.45508 12470.21484 0 0 16961.61523 0 22384.08594 26990.23242 0 16819.89648 0 0 54192.42578 20906.85547 0 0 20139.58594 0 16656.14844 0 0 152707.0625 212253.2344 178519.3125 266108.6875 196497.9531 138004.5 328283.75 239152.5156 171203 395332.0313 266467.4375 237906.4219 0 0 0 21665.85547 0 0 12550.12207 56262.92188 0 24656.19141 20451.19531 0 239213.3594 156886.0938 169916.7188 115146.1484 66872.72656 75913.45313 95394.13281 77605.13281 46322.71875 90517.6875 28038.09961 18217.51563 16577.29102 19982.30664 0 0 18905.46289 0 13467.53223 21630.42578 0 19777.94141 18200.1582 0 243851.4063 155176.1406 106047.0781 201343.2031 79908.92188 72207.09375 173252.0781 90063.71875 34754.33594 105222.8203 65862.19531 19663.24023 12981.25098 11164.72852 0 34356.69141 16125.80859 0 16236.82031 19786.89844 0 0 25434.61523 0 Glycyl-leucine 13343.73633 34673.93359 104815.6406 24680.05859 23371.44531 62791.14844 19013.21094 28615.89258 78522.22656 11958.45215 26162.91211 101009.8281 28141.10938 42954.125 64653.60156 42504.55859 48277.19141 118421.8281 49088.11328 102908.9609 164490.2813 89586.21094 133736.4688 150140.5156 17911.06836 20905.63086 80161.17188 11596.3877 31303.53906 62021.39063 20503.20898 23231.99023 65377.89453 16364.58887 29338.98438 75442.45313 23796.17383 42474.96484 83968.64844 52423.58984 76780.00781 127666.7656 62691.33203 70860.78125 161068.7813 49439.96875 107137.2031 215044.0938 15124.37598 31703.11719 77668.03906 12957.06445 26319.5957 61281.25 11798.65918 27723.81445 72541.21094 11842.81348 22147.31836 65402.50781 41563.78516 52668.74609 126773.8281 47427.61719 59657.01953 105185.1797 49787.08203 102650.7578 146135.0938 72042.21094 163049.3594 168833.5156 21553.2793 21155.96484 70773.15625 14002.53223 30424.20703 90475.85938 16401.60547 23193.83594 66759.55469 16085.2373 37029.96484 82308.1875 35121.37891 44057.44141 75770.125 46120.18359 91652.00781 100300.7031 86076.14063 107950.5313 193349.5938 94013.20313 95027.42188 185157.5313 Gly-Gly-Pro 49195.69141 54159.03516 70748.82813 60921.25 55719.48828 84444.39063 55340.41016 57254.51563 126935.0078 53936.48047 58741.55469 117703.2344 56684.49219 65979.80469 110848.9063 65907.3125 74780.07031 88565.58594 65249.97656 69440.86719 131415.0625 65328.14063 70951.22656 120804.3359 35657.44531 59276.78906 85389.0625 59584.5625 56768.37891 79902.50781 55183.79688 60229.05078 100410.0781 49601.63281 64731.50391 111167.2969 56281.85938 77489.40625 82838.625 84943.91406 88231.64844 115669.5703 59767.03516 84908.46094 103497.2734 62784.82422 77397.64844 99054.03906 54220.32031 59652.68359 77024.61719 52185.85938 37900.55469 111602.3281 50266.96484 59009.27734 94033.79688 57012.11328 40953.08984 97356.5625 45999.16016 95495.78906 159292.2188 65276.65234 69261.90625 89564.71875 64710.34766 90549.24219 87086.125 58082.86328 75876.64063 124143.9453 45923.81641 54606.17188 101918.3047 57078.60938 48516.15625 85626.10156 52796.35156 58516.67578 94485.625 49157.38281 51629.07813 104855.3047 64864.61328 78890.69531 84411.38281 59873.76953 78898.40625 79910.61719 85734.67969 70526.875 107964.6641 74744.44531 74187.27344 100743.9297 Gly-His 185833.1719 195030.3906 208691.2344 163938.8594 149299.2344 170511.1094 155371.125 164469.0313 195834.7656 165340.8281 150528.7813 192169.0625 101802.8203 124838.2109 154454.4063 179302.2344 149444.6094 131720.0469 133896.625 181470.6406 203726.0156 141808.6719 149759.4219 171138.1094 215353.9375 164037.2813 206412.5313 288172.0313 155374.4688 179834.4063 266245.0938 200944.3594 217311.0469 278270.0938 221560.1406 321695.5938 203536.1094 175402.0313 169627.5469 172707.3594 139359.7813 179908.7188 193540.9375 171336.9688 191984.2031 163526.125 155020.6875 177186.9531 286250.8125 212214.1094 218908.6563 208869.6406 116560.2813 224542.7969 179451.1094 193705.5625 121514.6953 205213.4063 162910.0469 154951.8438 126659.7734 138344.5938 213862.7656 152587.1719 186825.5313 213469.4219 99629.23438 233098.3281 134275.4219 101004.4219 163712.9219 209690.7188 188658.9063 167070.2031 209670.3594 241329.4844 153923.0625 204498.8281 206659.0313 164973.6406 143075.5625 206613.9844 184046.75 197129.5625 122003.6563 159683.7813 148526.5 132645.8281 186341.5781 146809.4688 177334.8906 167425.3594 160773.3281 126463.0313 128742.2969 193127.5 Guanine 32534.33789 45057.46484 52938.69531 141037.7344 84127.07813 131902.2188 250488.4375 132320.3594 274327.6563 316950.75 158242.4844 277508.2813 43465.27344 42636.74219 57690.69141 65354.28906 47616.20703 47609.21875 69107.4375 57635.05469 50926.77344 45056.25781 68661.53906 48695.32031 54089.51563 40433.48828 50359.16406 157672.6563 92053.71094 167707.3125 362417.8438 207153.8594 334685.4063 689055.875 473292.25 450269.5 38970.26563 60699.81641 36365.94922 45658.69922 55600.94141 44440.01563 49178.22656 68403.34375 65775.91406 55103.50391 69302.67188 57020.6875 51628.75391 37266.60938 57942.99609 138448.9063 112706.6094 186464.2969 240259.5781 117906.875 206488.9219 305906.3438 147825.6563 234894.1875 29622.60742 50014.50781 81093.91406 35334.75 44239.93359 53062.87109 64090.82813 59561.97656 46878.67578 45622.25781 86002.88281 70156.11719 47373.69922 51430.3125 70490.28906 143059.6875 87176.89844 120035.5391 334542.25 155944.7969 154706.8281 325428.625 225161 291510.4688 43363.91016 49340.37109 61449.03516 47219.71875 54781.40234 48271.14063 59312.92969 68293.02344 62709.26563 70740.96094 64024.19141 63023.77734 Heme 246005.9219 536798.3125 320121.8438 299026.375 297315.9063 247412.6563 236751.4844 274342.9375 229578.0313 233514.5469 232862.7188 234956.7813 319125.625 662576.4375 353006.4375 316370.2813 326988.4688 355168.75 211564.6719 350497.6563 463606.7813 347064.5313 340061.5938 310656.6875 289074.5938 414333 265848.5313 359948.2188 262033.375 245264.4531 209737.6719 222726.9063 261623.9063 208180.0156 247362.8594 273791.25 330863.6875 659910.4375 253980.6094 393758.9063 508029.6875 497578.5 429416.1875 465558.3125 340841.8125 464930.7813 498255.5938 406243.25 254866.3906 475691.0938 286109.5313 232412.125 244878.9219 223770.5313 255118.8438 279319.5 224921.375 217912.8594 239312.7188 231708.0469 250038.25 605205.8125 321645.0625 350543.375 358572.2188 379840.5938 393864.75 321175.4688 407651.5625 321066.625 356458.5 322254.2188 251141.3281 470563.8438 253163.0625 268765 279149.4063 259969.3594 276484.2813 258648.9688 246318.9531 269608.1563 227236.0313 254129.5 369516.875 693179.125 274207.5938 409191.3125 390633.5313 452172.2188 335222.0625 343535.4063 452416.5313 423506.0938 395622.3438 429432.0625 Heptadecanoylcarnitine 130527.0781 123016.7891 179665.1094 143765.2188 160651.2656 327973.5 169657.125 157600.25 334464.5313 172310.4531 158751.3594 437865.1563 146965.1875 236600.7344 508757.125 213304.4219 373037.1563 568891.875 274367.7813 421581.4375 725924.8125 267649.5313 469819.875 493843.5625 96208.34375 154812 176307.6563 120985.5703 121147.4531 263598.6563 138553.0469 138058.5781 369617.7813 190821.6094 168899.5625 456381.125 270313.1563 255384.9844 420320.7188 264165.4688 329080.9688 621538.8125 258087.9531 559160.875 607127.75 333243.8125 310854.1875 499381.0938 203616.3281 157754.9688 205389.5781 161844.3594 152247.2031 296840.0313 142140.4844 164183.3125 324106.0625 182607.0781 138963.5313 350139 256599.0313 275805.9063 938131.5625 205798.9531 367092.25 649120.9375 146981.1875 413320.8125 370206.6875 237842.7813 387429.2813 544020.6875 131817.625 121423.3516 225988.6406 147962.3906 113119.9219 324889.8438 135821.3125 148688.7031 411114.8438 95621.95313 184148.1719 352115.9688 187413.5156 313865.2813 693603 299269.25 267553.0938 428270 279625.4375 308885 512463.9688 355066.4063 407830.3125 622998.5 Heterodendrin 135934.5469 142782.125 198000.5156 127834.6406 86572.46875 161404.9375 154047.5313 117036.4922 154845.9688 130759.4609 137123.1875 223993.6094 157755.2344 222307.2188 270087.9688 161946.6406 276389.9375 194949.6719 141343.4063 253446.2031 283287.8438 189432.5781 256416.5625 190392.4531 115275.7344 127804.9609 163226.7188 140089.0938 131187.3125 176605.0469 119024.7109 46120.85938 216448.7813 126608.8203 156000.4531 227916.9688 181128.0781 249523.7188 190626.8438 213437.1875 166270.1719 296235 187666.5 247433.7188 179423.625 214700.9375 284845.7813 182739.9219 118014.2344 120922.9766 195638.9688 120017.2344 127580.5938 179665 126644.7578 188715.8125 140510.7656 140993.9063 139647.8281 196640.875 117922.5313 241706.1094 432348.6563 134562.6094 181466.9688 212131.5156 139473.4844 234393.4531 219101.0313 178261.0313 248685.1875 200196.6719 132036.8438 118028.5 187830.0938 129132.2969 149515.6406 183236.0938 160628.75 139382.2188 189011.6719 103354.6875 131730.4219 167094.0938 163671.4844 209822.2813 179626.25 213417.2969 268782.875 237615.9375 179129.6563 252908.0625 235148.5 213590.9688 257793.2813 224010.7188 Homocarnosine 86121.79688 73067.22656 64979.28125 91164.16406 100081.5156 75645.375 84440.89844 108836.8281 56159.56641 93755.25 90598.21875 77416.30469 122433.1094 123380.6563 76637.54688 118166.4297 143590.9063 52660.87891 142469.6875 152539.2188 74421.39063 134290.2656 93662.9375 65689.61719 82040.66406 63894.48438 51824.39063 86257.51563 103608.5469 47615.82031 132221.7813 76704.4375 59061.64063 106492.3516 108836.0859 51633.08594 121592.9141 117056.4141 74372.85156 141043.4063 135075.2031 61927.17578 133066.9531 125970.8984 46405.16797 119207.1406 154204.7031 65948.625 104968.1484 79593.30469 52053.07031 64480.76563 84354.16406 52205.58594 107028.9922 82708.47656 43679.84375 112658.875 106688.2109 42443.84375 94664.52344 178026.5156 111662.7031 97625.82813 146710.4531 57579.62891 126559.6875 128951.9141 61710.32422 221483.9844 182460.8594 52142.875 69335.48438 107969.0625 51163.72656 100501.2656 84492.03906 75842.46094 77370.01563 80264.21094 48849.10938 75713.58594 78637.45313 73543.17969 111509.4141 137557.375 81464.42969 151967.6875 161366.3438 48493.59766 140437.2031 182804.6406 63156 125819.5078 112904.0234 73087.35156 Homostachydrine 28380.11914 14628.62988 92035.84375 18333.60547 15770.86328 108775.5547 20855.07813 17223.99219 75846.98438 30466.33008 26155.98242 69570.67188 37467.55859 59119.82422 84843.79688 44452.86719 30933.80859 117304.2969 31960.47852 59742.61719 94589.42188 34610.96875 54104.45313 122271.5625 20936.24414 20044.99219 81943.20313 20849.03711 12670.44824 69366.83594 33172.03516 32661.84375 73958.92969 21703.03711 20331.5918 83707.75781 30914.55469 45014.28516 125429.8672 41897.85547 61846.12891 114601.1328 46038.38281 58694.15234 86029.11719 39356.50781 45586.5625 94506.20313 13637.16016 20228.75977 68193.44531 29634.46289 14607.6748 97455.61719 15234.20898 29035.01367 69434.45313 20567.68164 17838.8418 69701.02344 42694.07422 37008.61328 197598.9531 37805.89063 50490.20703 135617.9688 39957.46094 47650.98828 90995.03906 36056.02344 39844.76563 88267.05469 44924.39844 15489.21094 74602.13281 24549.29492 11682.99512 68855.97656 23084.21875 13836.03906 78993.34375 31919.33594 21572.10547 75434.26563 30547.51758 54487.73828 105213.2969 41474.95703 37529.78906 93937.52344 44594.83594 49124.63281 103923.8438 43814.78516 48892.58203 98474.58594 Hydroxybutyrylcarnitine 92685.3125 108354.8047 209789.0313 122780.3516 90307.35938 211097 132567.9688 108899.6328 234848.1563 115506.4688 106536.3125 236266.7656 191785.8906 275699.8438 278185.6563 222059.6719 223631.3438 348151 170778.4219 263111.875 328335.75 253264.6406 251612.7188 270095.5313 97553.5625 100312.125 212221.7031 122319.2813 94609.88281 223422.0469 125629.0703 108584.2891 230021.5469 151090.125 119314.0391 270911.1563 194275.1406 249340.125 263159.5313 244784.9844 237886.5469 304059.1875 187486.1875 280850.5313 333805.0938 214583.0625 262636.4063 285726.7813 147137.1719 102227.9297 233397.7969 102329.0469 99108.71094 255027.5938 138671.1719 100199.125 231607.1719 124253.8359 133731.0313 232445.5938 195086.2656 223757.6875 422387.75 208418.2813 290064.2813 253396.1094 156730.2969 289737.3125 261430.9375 219189.5469 308151.8438 410751.8438 114313.5703 115703.8516 255050.3438 146756.1094 126165.3359 221335.3281 148742.8438 108088.6172 186350.4063 88444 101472 221693.5938 176726.9688 236216.625 320415 247685.5625 252999.5313 270670.7188 301134.9375 234213.2813 323420.1875 254431.1094 233350.1719 309499.75 Hydroxyhexanoycarnitine 21649.09375 9063.326172 68636.51563 13748.55371 12909.16895 54088.30078 30809.60156 12224.42188 69528.72656 10493 22118.03906 71697.20313 28955.08398 36686.98438 76518.65625 33281.94922 34074.85938 77565 24176.24414 38246.27734 69965.75781 38214.92578 42326.26953 65074.76563 14034.30078 25447.72656 69085.9375 15525.78418 21494.80664 43618.04297 19958.29297 23824.62305 49425.50781 11333.29199 13940.96094 52527.39844 37871.52344 38310.46484 76097.90625 36349.73438 42015.82422 67823.40625 32465.26172 35835.33203 94087.28906 30574.02734 34828.17188 66376.39063 18791.78125 11566.75879 55569.81641 14536.79688 21220.89453 70791.21094 18868.3418 23065.44531 51763.49219 26390.97266 21773.23242 57565.33984 29937.23047 49708.19922 114185.1094 26107.11523 30093.0957 69042.08594 25142.02344 37717.20703 66882.78906 28285.54492 36696.60547 63522.42578 19730.98438 11371.27344 60843.63672 11623.76367 21458.54102 67217.20313 26461.25586 14177.87793 50698.35156 23074.74219 10293.28027 58321.77344 24034.17969 46353.83203 61948.27734 37926.38672 34961.48438 63052.35156 35461.67188 41827.99219 80896.3125 31033.17773 42272.61719 88203.91406 Hydroxypropionylcarnitine 289835.25 222531.3281 309276.0313 334247.375 387075.3125 400629.1875 302051.375 285907.5313 370650.25 307032.1875 346898.5 400969.4375 279429.9375 243712.9219 367369.25 296677.8125 320611.9375 347083.9063 283283.1563 372251.25 360651.75 324090.625 379834.0938 291767.25 293598 304447.8125 332786.4688 219300.8281 333852.4688 350838.3125 295540.9375 342232.4063 371712.7188 372962.375 391267.5313 373842.75 329294.25 293971.0938 368557.25 333688.3125 353217.9063 268236.0938 286806.9375 342946.4688 350426.3125 306639.75 327379.9063 343488.7813 287709.375 342349.0625 360652.5313 272526.3125 319157.6563 400855.4688 316359.4688 266333.5313 291435.375 275975.0625 367176.8438 270354.625 288469.75 240171.5469 325804.1875 251365.3906 299358.8438 315912.0938 264781.2188 337587.8438 262002.9531 292230.8438 303655.5 270182.0625 313473.125 255426.9063 334818.6563 283365.375 275134.9688 343580.7188 278486.7813 416305.0938 337137.0625 339595.0313 313769.25 317465.5938 284184.5 312316.9063 355141.5 384646 317618.4063 294210.5313 386409.3125 379932.2188 378529.3438 308995.5938 310341.0313 404090.6875 Ile-Cys-Gly 120766.3984 119697.3594 132346.2031 91826 104291.9844 200292.7188 80710.1875 138407.0313 219791.625 136569.9219 90846.82031 171888.1406 75143.38281 168188.9219 199748.5781 93883.625 164162.6719 151816.7344 82479 134539.9531 144450.4844 142916.9063 120821.4219 161959.7188 97564.78906 114531.8047 175879.0469 95872.99219 91276.42969 147099.6719 87325.60156 78630.5625 174793.9531 87574.21875 129040.6641 175709.5156 128107.3906 157675.4375 214383.7969 110401.2656 116127.4609 173175.5313 92825.36719 113462.7266 159996.1406 123167.7109 118661.9063 150346.9688 100958.9219 130071.1094 226660.0938 79277.04688 107427.9297 170704.2813 100516.75 85171.72656 183481.5 110660.6875 82995.14844 250846.9844 70971.51563 172992.125 363427.9688 88814.71875 127572.5703 207151.3438 127597.875 109772.8672 139022 67252.26563 155953.2656 162855.8438 139975.2344 96241.51563 221081 91535.05469 98220.36719 213035.4844 96793.54688 114501.9766 183759.1094 89306.66406 94264.75 240823.2969 79327.6875 142657.6563 185988.2969 124206.2422 105537.9844 182360.4063 115394.9219 151024.8281 156714.5 153929.3906 123145.0859 164512.9219 Ile-Leu 172546 169371.0469 177922.8594 127291.4297 149445.3125 167266.6406 146139.0313 167418.1719 221454.3438 184690.1563 137852.0938 169264.8281 177200.8438 169892.6719 213454.4219 160178.1406 145047.3438 183265.6563 129516.1953 192906 239392.0313 128483.9297 162891.25 159985.6094 124905.9141 154473.1563 150763.1406 135956.9219 141535.0781 171592.2656 113890.3516 146720.25 158776.0938 157044.4375 152810.375 220999.3906 142153.25 151910.0313 154868.8438 134901 170202.8594 166229.3125 225991.3125 140669.3594 166583.5 145755.4375 162681.6563 188444.9063 136593.7656 143042.7969 198048.375 130224.2813 131110.2813 169669.5156 147782.5938 120449.4531 136913.875 157901.4688 154721.3594 201429.9063 94725.96094 162759.9531 192331.8281 117517.8359 138487.2344 191697.9063 131019.8047 154995.7656 186717.5156 115425.9219 152742.9063 189276.1094 128510.3047 188006.2188 191048.4219 139455 150706.875 196870.7813 127061.4766 141432.5 210994.625 135407.0938 225445.6094 217812.0938 168192.9219 134462.9531 172782.1563 255102 150931.1094 188694.0156 170424.1719 160328.5313 203746.75 151308 194752.6563 183871.3438 Imidazole-4-methanol 126184.3047 131514.9688 232725 159812.2188 154348.3438 170367.2031 101356.8516 158245.75 238667.1094 96081.84375 182737.1563 278109.25 85136.60938 266636.25 229487.3438 94862.52344 123726.1328 260606 112084.4609 161333.9688 283892.0313 78314.97656 140426.25 300385.8438 57336.33984 175711.8438 119244.0781 140116.4063 174178.9063 167390.9063 84251.96875 191164.6719 81592.03125 103639.7578 144384.7031 213519.6563 96303.17188 218439.0625 229574.3438 124521.6641 107422.375 279036.1563 140816.7188 295040.1563 168729.2656 81432.35156 160294.6094 310920.125 116937.1016 102284.8438 186160.1094 126203.1328 122374.5391 209629.8281 154004.875 181276.4844 142410.9688 175626.0625 154266.7188 164748.2813 77891.74219 90326.80469 158721 162082.7188 108120.1328 225798.6563 69656.03906 154609.5938 175695.4844 105800.6797 406843.125 131924.3594 131104.4531 172047.2656 244315.4844 69637.25 163256.9063 173529.625 80216.78125 264659.5938 162291.2188 88314.01563 307647.0313 186437.7656 83564.54688 144286.4844 177486.3594 165695.9063 119943.9844 137989.7344 81515.30469 110676.7578 167190.9688 164237.2656 162216.5 236325.1406 Indoleacrylicacid 113582.4375 143411.3906 180075.5781 133228.7813 123379.8828 231651.5938 145971.6875 126056.5547 245492.9375 104525.2109 148417.7656 254488.8594 181693.4844 216039.9531 276551.9688 226575.5156 282097.1875 321464.25 179626.4844 367059.8438 289862.6563 260586.6406 242751.7969 247572.0625 103953.8203 119933.0703 187944.1406 109824.5391 134120.2813 200272.9375 117586.0547 112272.4531 202759.4063 150460.0625 141276.4219 194028.0625 212346.5938 225217.7188 461171.0625 222182.4219 317469.0313 296278.0938 250113.7188 266249.4063 344126.3125 273785.6563 293039.2188 276014.7188 134284.4688 126804.2188 238396.1094 93189.71875 133736.2188 185571.7813 189126.4531 122098.6016 183053.8438 144106.9531 117509.3047 201692.75 192522.4844 272659 432950.5625 185522.9375 242111.5938 294211.2188 174488.7969 340670.75 293090.2188 186676 276280.0625 262689.8438 132651.6563 143659.5781 186740.0313 119246.4141 120657.5313 205463.9219 180245.2813 119862.7813 184233.0781 105622.3125 128837.5625 183612.125 165395.6875 315095.9688 288417.2813 213640.125 308378.3125 277595.4063 213154.5781 304283.5938 306988.3438 232509.2188 260796.1094 290462.7188 Inosine 128109.7344 115150.8828 274411 125960.1797 90072.73438 312828.0313 182330.4688 112476.5469 393421.5 166752.1094 81065.07031 332703.25 395788.5 804344.625 613968.1875 363545.4375 439936.875 628561.875 351011.1563 503165.0313 689780.8125 487135.375 653188.1875 721137 118703.6484 96501.875 360218 128057.8516 129004.5625 409888.4688 141283.2813 130305.4844 398531.0625 202854.2344 156458.75 424781.25 454472.5938 616504.8125 851707.6875 551247.375 566628.6875 812105.0625 574286.9375 605014.5 639496.5625 759770.5625 1061751.25 678796.125 128928.3359 107208.4688 390950.8125 126876.7109 112148.0547 369834.1563 157439.7969 88971.04688 399953 127367.1484 82935.82813 418479.5625 318275 616346.1875 1143708 347190.9063 456114.4688 776010.1875 474135.5625 549786.5 553554.5625 416636 824962.3125 708313.5 127583.8125 84459.45313 337549 174959.6406 102423.8906 485780.4375 187133.2188 108278.6484 334479.3438 197190.9375 122084.9141 466708.7813 340358.0938 569147.0625 610974.25 398582.4688 483774.0625 753257.0625 478473.6875 557600 807492.5 533309.3125 952013.0625 681809.75 Isovalerylglutamicacid 48000.73438 69324.71094 71477.27344 44570.96875 112060.625 99918.3125 35209.35938 148422.4844 83776.67188 96806.88281 73130.5625 59974.23047 52061.9375 90621.21875 57303.76563 112822.6016 117695.1875 45846.80078 65569.32813 44812.875 36423.46094 52213.85547 0 87175.78906 27253.25586 73646.75 73129.89063 36532.63281 93342.82813 72817.6875 50085.96875 0 48096.88281 34930.33594 72081.82813 53501.77344 35921.89063 108019.1641 124496.9453 60690.51953 109879.4609 0 69367.89063 112735.6328 20369.98047 46093.71875 0 31150.17188 109335.0781 79348.65625 148098.2969 23419.58203 114732.3359 36677.98828 83875.78906 40050.5 160112.4375 99157.5625 33646.99219 92605.49219 23372.30273 89474.52344 116759.3047 57156.91016 153489.3438 89400.30469 84256.49219 0 59121.42969 30834.71094 46303.80469 0 93704.32813 57130.47266 77258.10938 139250.9219 84804.09375 0 74048.85938 100787.1719 74916.10938 144237.0469 56633.51563 107530.2344 45325.26563 173506.6719 124907.1797 84197.71875 130150.4688 42129.93359 84800.85938 43183.63672 64845.01172 89895.01563 0 38552.125 Lacto-N-tetraose 88303.08594 90753.64063 23149.05078 101958.6953 82793 20846.04883 101884.9297 96998.78125 25230.29102 87563.63281 100869.2813 24382.3418 87911.95313 112736.9609 26871.17969 119184.2578 120450.0938 20319.69141 93089.92188 133865.3281 22834.0625 124182.0625 128965.6797 22030.99414 90802.0625 78309.59375 31327.04492 76298.28906 94944.05469 25724.375 94552.73438 92122.57031 28685.17188 104752.8047 92002.60156 24791.02539 105842.875 124665.8203 20968.88867 131802 114312.9531 19790.78906 100500.375 142336.0469 19498.41797 134138.4063 124502.5938 21414.57031 86007.21875 85433.49219 23076.66992 78409.67188 100559.8672 24096.76953 97304.39063 105087.6016 21933.34375 111965.8516 104227.9453 22820.98828 103763.8281 108343.4141 33918.96875 101874.3906 129492.3125 21316.79688 109889.3281 112143.6016 20313.66602 102947.2188 123864.3359 19463.54688 93388.79688 92358.8125 27200.78906 93898.30469 91247.39844 23421.74414 117609.8984 86409.19531 22621.90625 101807.8203 97392.3125 23145.05273 100961.0391 124045.3125 20817.32227 111046.0078 126864.9688 22958.02734 112137.0469 114690.2813 19599.57227 103816.8047 135194.375 23268.66016 L-Alanine 39496.25781 36162.32813 69374.84375 184481.7813 155584.2188 256921.0625 137162.5156 163819.4844 440724.2188 54902.92578 32249.82617 68778.23438 221932.6406 202579.8125 318178.4688 185537.625 209549.7188 258405.4063 90073.24219 145767.5156 93655.10156 143901.3594 108128.4688 78297.55469 160967.5469 32093.66406 71258.39844 40673.39063 69754.65625 51526.93359 306976.4375 166661.375 588262.0625 365416.2813 179654.125 950878.5625 92474.3125 113551.7188 114472.3047 137248.75 150240.9375 122926.1797 122985.6953 109533.6328 293380.25 140551 107337.75 93463.64063 48855.99609 25349.09766 304359.75 233282.875 161361.8125 308208.5313 48730.80859 27432.93945 87744.45313 335058.6875 299954.7813 560537.1875 84467.96875 124074.6094 403136 199196.2188 133243.8594 152707.3438 109618.6875 77982.14844 128106.3281 165068.7656 229005.1875 261751.9375 334859.7188 117368.4688 548132.875 343325.7188 122210.4141 759366.9375 176030.5469 117691.5391 681470.25 51223.78125 28178.61523 65552.22656 128655.1953 119155.8438 124472.2031 112700.4297 189854.4531 93907.73438 166743.4688 101535.9219 105744.25 149051.7969 112350.8438 114945.125 L-beta-aspartyl-L-leucine 65826.64844 101370.5156 64113.92969 74707.875 88003.44531 70611.53906 93857.52344 73982.17188 83462.07813 77430.39844 91866.70313 78140.51563 44254.83203 59317.52734 148877.25 158054.7031 114217.4531 199758.25 96755.91406 121624.4219 172568.625 106380.1016 143116.3438 192956.1719 73030.24219 83022.79688 57352.62891 95944.21094 114110.4688 90679.82813 112555.0078 112363.875 87620.79688 109423.9063 135572.9844 108085.3438 62376.22266 66462.875 78756.44531 112785.3203 140610.3438 164520.1875 102092.625 140537.9375 158741.3125 139601.5781 157531.1563 162976.125 84567.5625 97538.78125 53812.01563 81888.92188 102159.6563 81262.38281 99192.13281 98252.67188 70939.85938 88378.21875 87406.64844 53181.23047 47370.08203 72141.88281 204945.0156 91160.625 110608.4922 235529.4063 100105.2656 134215.8906 184579.8438 101434.625 174687.3594 264975.125 74567.79688 110549.3359 86249.94531 101284.3984 120205.0469 66796.79688 96818.35938 84906.20313 52224.16406 73528.375 132670.8281 75698.35938 62074.55859 64001.96094 96942.53125 84503.05469 119164.9844 167323.9375 136891.8125 160155.8594 198927.0938 140103 147658.1875 194369.0156 L-Carnitine 133139.4063 132558.5938 556110.75 138550.0313 167200.0469 506449.4688 195639.9531 159571.7188 567236.25 145903.0156 134731.4063 498672.4375 206072.1719 197399.7344 535013.9375 260847.3906 267290.1875 598536.75 141163.0781 321992.125 633899.25 197971.1563 220136.9063 641271.75 127938.0859 112932.5469 600605.1875 185789.2188 146614.3594 557040.75 154230.6406 159030.2344 564028.8125 169771.7031 195772.2344 610647.3125 173268.6719 248833.1719 530414.5625 212145.3594 255216.6719 611047.9375 190963.0313 211239.3125 894956.9375 228932.1563 301441.25 632601.375 156903.5 178968.4688 579024.25 182640.9219 128892.375 454533.1875 145786.6406 144590.375 483819.7813 168021.0469 169550.0156 475179.0938 199096.9063 360357.5938 1078793.625 183288.9219 311190.1563 601027.0625 171797.9375 260191.0781 548167.25 168841.375 214075.1719 581086.8125 120822.7344 130666.5938 539819.5625 166129.375 158102.9063 781885.0625 165972.9688 152638.3594 448734.7188 150648.1094 138147.9063 539617.0625 186922.1406 245632.6563 723760.1875 198079.0469 268145.125 597465.5 221879.0781 242243.375 594442.0625 246409.3281 210906.9375 594206.25 L-Cystine 249352.8594 246117 14134.63281 155146.0313 129577.6484 270519.875 221016.8125 114068.8359 114164.2656 351725.9688 78975.82031 113207.4609 106599.8125 96122.69531 19455.11328 109495.9453 30262.24609 135081.0781 81369.17188 43692.54688 43146.35547 74622.64844 88097.5625 49696.65625 110528.8984 368646.2813 96005.07031 103239.0781 97299.28125 108274.8047 116985.5938 92805.25 59414.01953 289223.6875 129649.0234 116923.8125 151012.9375 63212.23047 123210.5234 61986.72266 32777.78516 58077.44141 98750.05469 5618.573242 98179.71094 67578.82813 12836.85645 67735.90625 156044.25 171862.6563 86769.57813 125881.2813 242464.6094 220654.375 273098.5 96685.60156 61741.36328 116721.25 113632.5469 140840.0781 124919.2188 60573.75 14588.82227 97492.15625 44977.97266 187425.7813 99192.86719 19459 24029.57422 95956.42969 27204.60938 90022.63281 229666.875 191994.0625 141403.5938 257650.8906 97453.82031 134157.25 160714.7969 100123.2969 131098.2344 124714.5547 171534.6875 82847.33594 174891.7031 84288.28125 47556.10547 76532.3125 32625.52734 73333.07031 87536.05469 28812.68945 113354.0156 74141.47656 21421.05273 87969.67188 Leu-Leu-Leu-Leu 131338.5313 130576.4688 123927.8125 135814.2969 132842.875 135248.7188 140209.4219 147238.2656 136359.7656 114409.4063 122163.7891 129827.375 97406.04688 117444.8594 141103.2188 118013.5469 142148.9844 137712.9844 111603.8516 129664.9688 135339.1563 116412.7813 128735.6484 137949.6406 105640.1328 113805.9688 132792.7969 111329.7188 113386.4297 157051.8906 96802.15625 125962.875 147181.3594 126327.0625 148071.3125 140127.7188 126491.25 126304.1797 135740.4375 116807.0313 125135.4297 130475.3828 133206.1406 129108.8828 154588.4688 118082.9453 152837.4688 123070.8125 126042.9766 131864.2344 138079.2031 99589.75781 115521.375 156791.9531 115735.9844 114770.4375 117155.7813 104913.9766 121034.2969 128064.0938 132558.7656 126652.2969 145054.7656 99812.98438 135566.7188 138214.3594 97683.94531 146883.7031 136385.2656 95924.65625 138445.6875 132414.0781 119737.4141 135363.2188 139354.1875 107189.3125 124908.7344 146222.2031 133873.0781 133920.125 139664.5 99219.17188 120646.625 153677.3438 108209.5781 108254.4922 131514.375 127073.8984 133938.3438 158998.5313 120798.8359 123534.375 147310.4219 126049.0781 120302.8984 137712.2188 L-gamma-glutamyl-L-isoleucine 151738.625 158742.2969 188115.5469 151795.25 191431.1563 126211.9922 149605.5938 157542.4375 132638.5938 127420.6719 164176.3281 108831.1797 52021.92188 95262.10156 146766.7813 133231.8438 173166.8594 206454.1406 167133.4219 197648.2031 279485.4375 207877.375 192024.7656 296095.125 119510.3359 171837.375 155728.3125 177720.7656 219824.4375 145882.7656 190938.6406 201376.4375 150277.6875 184126.8125 275067.375 87717.00781 41350.17188 55454.16406 89149.07031 147647.9219 138596.5156 215292.1094 152562.4688 193920.2031 224019.6406 191468.2813 227509.3281 227097.4375 147630.5625 183750.125 163643.6719 164964.4688 214886.7969 116728.5234 140994.8438 167208.5469 107437.0781 135043.5469 145465.3594 113219.0078 49026.63281 71714.52344 206118.2188 53477.06641 154944.6406 123249.1953 159553.5469 179712.1875 230500.7813 158940.2031 252318.0781 257812.5938 150892.5 161574.4375 136725.8281 205496.3438 186605.3906 147275.25 174091.75 207134.4063 102234.8516 154439.2344 172226.7031 119407.3047 51910.54688 90338.875 102195.5313 147115.0781 143105.3281 277566.2813 158768.9219 188605.9688 271333.9375 197392.9063 262754.75 254711.0625 L-Histidine 75050.98438 92827.50781 154728.625 1728534.5 1131738.375 2806809.75 1426219 97595.20313 155408.8281 2702627.25 90539.32031 107126.0781 559357.5 1902814.875 2762308.25 84509.71875 108982.1328 2575569 97717.34375 3003272.25 137169.875 135570.4063 110045.9219 115461.9844 70645.53906 75700 86971.42969 87262.78906 112613.0313 108386.3203 1314884.75 118151.1094 105801.1016 121811.125 78233.98438 3229888.25 102860.4688 98171.67188 83788.57031 3125959.5 94338.15625 130412.1719 97436.26563 131877.0938 4323575 3304217 119650.4219 105924.2813 1741668.5 2431452.25 2676273 71052.75781 73279.40625 98078.71094 98746.61719 1376922.375 99147.51563 97351.14844 79156.59375 112894.6797 108524.25 139934.125 5894832 88375.14844 2356382 78489.85156 73174.25781 112816.75 128177.1406 1713095.25 2375882 4171447 67027.25 135536.75 97303.36719 84541.84375 118612.5469 112103.2188 2648158 1339363.375 3545232.25 1033460.938 91831.89063 131341.2969 121421.5234 84229.125 101195.0859 1397414.25 1783119 2585061.5 132429.6875 101890.0703 86809.08594 86660.625 118346.1406 108148.4141 L-Homocitrulline 42902.64844 0 41326.5 19604.89844 18179.45508 52688.21875 21855.37109 21508.83789 57631.41016 16056.78613 20370.90625 52906.78125 69115.42188 76452.72656 147258.0938 72873.35938 62763.12109 69370.03906 61218.14453 63723.55469 92452.03906 84791.42188 66831.69531 61426.21094 25171.10547 24379.75195 54359.32422 22722.31836 17064.03125 61427.14844 26546.58984 18487.45508 46890.12891 15026.90137 11713.34375 57693.46875 60959.75781 53726.66016 71157.67188 59317.09766 71981.96094 135437.8438 56581.72656 68304.1875 72442.70313 73679.58594 52325.26953 66750.44531 38103.03125 0 44650.69531 20304.01758 11748.21582 56363.83594 30020.06836 7925.988281 47864.26172 39132.23828 9544.822266 47940.79297 72260.63281 65847.70313 198148.625 46568.28125 64521.69141 86156.72656 44920.75 63444.85547 92261.90625 56606.97656 76387.96875 68490.57031 27934.07422 13862.57715 46472.91406 19753.35742 11390.68262 85091.88281 12687.29004 0 38105.21484 31547.63281 0 40737.21094 62479.86328 56018.25781 82102.75 60020.34375 58994.93359 65557.82031 59967.21484 80151.99219 69389.97656 62504.40234 38881.6875 66933.29688 L-isoleucyl-L-proline 66466.20313 55780.11328 105188.5625 75057.58594 54966.92578 69888.84375 72791.27344 65608.84375 103723.8438 66912.10938 59491.61328 93361.5625 62860.92969 72195.46875 90235.07813 69162.00781 105256.9141 100403.7188 61028.03906 81787.125 88601.01563 68653.35156 98824.42188 90935.33594 54872.40625 56239.56641 94479.46875 52499.47266 63118.71875 73037.8125 66776.45313 55140.17578 90879.73438 88613.0625 67931.19531 90525.11719 66729.39844 93709.40625 87986.19531 69697.17188 85581.19531 94130.35156 72019.58594 75680.23438 100793.8438 86151.36719 90354.16406 82335.63281 71517.32813 57129.46484 95931.21094 46430.34375 60225.88672 89640.5 64764.01953 72612.38281 100463.6719 72514.40625 59524.57031 104917.6563 62337.5 90492.65625 148051.875 65732.92969 84574.51563 88138.49219 60840.67969 109396.7031 88250.1875 78659.82031 94950.22656 103481.2344 58907.30859 52772.24219 80949.15625 65648.74219 63858.64063 106323.0156 63633.15234 62639.68359 91070.25 62690.33594 64496.49219 89521.95313 58398.21484 75956.39844 104900.7891 74496.97656 89137.5625 76876.39063 72519.28125 99397.21875 104906.875 71811.21875 93080.21875 88139.375 L-Methionine S-oxide 289307.3125 140610.4219 385583.625 281987.5938 180946.0313 253513.8281 222713 306380.75 360981.7188 380955.3438 199227.1563 246992.2188 346052.9063 309367.4063 223512.2656 367108 254855.1563 154227.8125 249209.1094 385721.375 255004.9219 305324.25 278850.0938 195831.6563 216885.5 259742.0313 253248.1563 216135.2031 193433.9688 179957.2344 260293.8906 173723.7344 248896.75 272305.3125 210193.9219 229987.1875 220314.4844 236836.9844 155039.3281 254562 233954.125 180999.6406 333842.0938 281560.3125 229501.3281 278675.5 243960.7344 258801.5469 228807.0313 148747.7031 312470.8125 223463.125 300355.5625 227040.2188 344715.5313 185081.3281 230239.0781 335025.8125 212120.5625 255489.7813 175091.7656 214620.8594 546034.125 274807.625 362357.0625 221860.3906 332285.5625 259400.7813 212183.1719 274318.4688 403430.8438 221186.1406 184697.4375 257672.1563 261296.7813 299367.6563 211923.2969 289492.75 293699.125 179133.25 375200.9063 280767.0938 180140.2031 323260.8438 201618.0313 233944.9375 183917.375 451225.0938 348242.7813 209563.3906 334318.5 365603.0938 253274 358427.4688 326143.125 263142.2188 Longifolonine 316254 500125.5313 367679.2188 483065 342664.1875 295036.5313 366769.9375 548117 568010.0625 356998.0313 303878.4375 368281.1875 283312.3125 696512.9375 323415.4063 388593.375 634463.375 362037.8438 404434.125 331326.2813 469651.5313 244103.5156 289670.4688 453211.9375 177459.0313 299312.5938 562014.375 237732.5156 364980.7188 406183.9063 367635.5313 384163.5 423983.3438 229925.2031 349286.7188 370667.9688 448126.0625 431697.625 332773.0625 402549.0313 554122.375 301233 407840.5625 447955.8125 470404.0313 486886.9063 484048.8125 482565.0938 450712.2813 277011.625 327993.2188 351544.9375 403601.75 390152.4375 405255.2188 369317.0313 350807.1563 371631.5313 290505.3125 495726.25 251297.9219 529270.3125 797067.5625 364349.0625 579531.75 345665.5313 553092.25 386827.9063 512600.25 417668.1875 477079.625 388267.5313 277839.3125 262312.0625 308803.5938 284620.8438 539989.625 281926 403274.1875 222216.1094 351094.3438 374823.0625 233276.4531 371645.125 212988.5781 444729.4375 345178.2813 408667.9688 718801.625 217629.2813 548318.625 545011.1875 536803.6875 517988.5625 434576 405616.4688 L-Phenylalanine 47896.95703 89376.17969 87616.6875 130471.6797 110998.7656 100900.4297 88468.92188 113571.9609 146290.1719 84480.75 83176.71875 146221.2656 89073.49219 145258.9844 91454.70313 119357.6484 133788.2656 66310.6875 59695.53516 67809.82813 112303.4844 121698.5391 113499.5469 83465.79688 74691.61719 129278.2578 110842.7031 89106.74219 104430.6406 85349.38281 93497.73438 93904.47656 129177.3828 78212.44531 95187.97656 109708.8594 91429.78125 105225.6016 100153.5703 99321.125 105734.5625 116796.75 121680.4219 117264.1797 132499.5625 85953.66406 80214.99219 80700.36719 114624.4219 76756.17969 106279.9375 91091.75 100401.9766 116064.25 95185.70313 81576.78125 163533.8906 161308.6563 83985.52344 124124.0234 67759.90625 100901.6641 151302.1875 90203.6875 87011.82813 92804.42969 86548.85156 118153.4844 89399.89844 101433.2734 83005.33594 109256.9453 80849.26563 84278.32031 92402.375 93836.82031 107945.0547 90657.3125 92473.44531 84203.03906 111907.0234 125122.8984 94012.26563 124202.7422 76266.94531 154143 109836.0938 102053.4844 138730.8281 63613.80078 95520.13281 128943.2813 130596.7734 104590.875 60037.73438 104254.0078 L-Pipecolate 1399002 398611.2188 681199.5 279503.2188 147827.6875 160907.5 189807.7344 109029.3516 151335.625 209705.2813 97350.79688 266647.2813 17261.39844 16542.76367 20136.81641 13340.79785 13293.75879 8594.470703 10408.42285 10549.59863 7651.459473 12388.09668 15929.22559 7099.990723 1177701 483194.125 599674 871586.5 487999 633399.5625 2560487.25 747062.5 1650613.875 3101489.5 1297860.75 2496855 13188.57324 20229.70703 19279.27734 17123.62109 10686.19434 8323.617188 13318.73828 7692.410645 12637.14648 11864.61133 13594.63281 8424.483398 1413907.75 418519.25 482779.0625 596939.6875 187300.1563 348910.625 1171512.5 175314.8281 284427.7813 2281516.5 319722.7813 346162.5 14457.89844 20815.20703 25936.05469 13623.2373 7783.148926 14971.25879 13251.2334 8181.503906 12626.12012 12205.42676 11022.35352 6976.700195 1045136.188 640937.5625 629617.5625 962167.3125 337904.6875 575002.375 1066841.125 484830.2188 418430 1803221 597036.6875 980586.4375 12983.09961 14559.02246 19161.26758 15817.51563 10042.97754 8080.104004 14377.55566 6526.175781 6967.480957 13520.7041 12974.82715 10336.87109 L-Tyrosine methyl ester 24193.96094 23676.51172 40371.00781 39753.31641 46802.12891 98181.97656 75337.60156 47510.41406 96486.78125 36053.22266 45135.51563 52906.03516 39223.58984 69991.46875 102915.875 82412.375 45981.47656 32825.81641 33132.94141 44814.58984 96539 40367.97656 42139.26563 82693.26563 37263.90234 48347.08984 37670.32031 31608.98828 45133.80469 83349.28125 36146.19922 57061.83594 72229.625 59717.31641 22875.46484 52293.30859 31871.27734 40679.0625 90225.75781 42013.49219 33456.01563 47451.3125 96527.71875 97423.10156 34292.23438 45213.17578 42519.70313 71749.26563 81948.07813 24996.01367 125507.3594 26892.98438 35910.75391 104038.4766 34533.875 25457.48438 71553.46875 36052.60156 27245.66797 31128.84961 28474.30664 41649.97656 85991.36719 29203.37305 61774.24219 44290.04688 24518.1582 80547.40625 55357.59375 28024.83984 66447.26563 51203.59766 34167.77344 30205.83984 53240.33984 75637.63281 53656.83984 54659.81641 40361.62109 40242.20313 52900.17578 54885.46094 30814.26367 116179.3281 19689.92188 108562.5 43421.49609 89884.60938 103312.0313 33051.98047 46857.24609 28325.17773 47060.15625 40103.39453 40050.10547 73690.57813 Luciduline 81690.70313 58757.30469 128256.9688 126422.8594 89788.42969 125371.7656 119652.5469 86882.65625 66875.5 147583.1094 133734.75 143094.3438 54956.66016 117696.0781 137351.8281 75329.75 61243.63672 61822.18359 74837.50781 129299.3516 63066.86328 101755.3438 68266.17969 74238.61719 97659.625 114080.0703 124055.0313 96649.73438 66528.63281 107287.3516 185870.6406 138976.6563 134420.7344 62214.01953 96983.92969 33437.46094 134502.6875 113429.4844 66554.61719 123159.8672 66039.13281 63857.97266 79513.98438 128115.9219 134533.9531 121895.6016 84023.44531 137618.6875 135601.7031 77745.32813 113068.2734 92208.96875 61871.51172 87763.05469 116819.4609 90864.97656 109209.7969 124467.5859 73174.5625 111807.5781 99634.60156 100040.3984 60207.88672 110843.0391 84056.32031 155297.6094 68579.99219 99847.86719 68085.85156 84061.4375 65957.64844 64204.63281 116468.1094 145693.6094 72062.07813 82010.46875 113213.1641 141917.0156 124418.2891 86879.38281 91422.375 87766.0625 109128.6406 113077.4375 114912.8984 69631.89844 154780.4844 70046.09375 133633.0625 73564.36719 110952.6719 83051.28906 58591.17969 128891.5234 121632.6172 87767.23438 L-Valine 274569.875 287811.8438 247702.3438 237622.1719 369327.75 250043.3125 276833.8125 280680.5938 316036.7813 250180.4844 222857.3125 348900.8125 258212.5625 337967.6875 269967.0313 292783 209566.6875 208214.1719 299372.875 328395.7813 362911.2813 417046.25 577140.375 289548.25 413007 208873.0156 289318.125 180323.7031 232649.0313 187333.3906 243235.5469 280171.9375 346156.8438 275423.1875 306105.625 269266.7188 265539.875 240969.8281 267258.25 225907.0313 211048.1875 283758.5313 423486.625 237974.0938 487415.6563 284186.8438 273504.2813 265953.5938 235008.4531 204401.5313 212558.0469 214766.375 310716.3438 233751.7344 316633.8438 228900.625 271385.1875 302491.5938 259136.3438 283645.7188 188722.3125 385285.1563 301443.875 249627.6406 313763.1563 370630.125 278925.5313 317422.5313 253054.875 226903.125 274237.1875 447983.2188 268343.3438 395405.0625 217435.1094 223753.125 208344.6094 292791.5 326984.8438 281936.75 301373.9063 144322.5469 215330.75 242060.8906 184769.7969 319961 365023.25 632135.9375 304943.2188 278538.8125 202480.3125 268658.5938 221307.7656 344006.9375 333541.4375 310714.0625 Lycoflexine 313303.7813 411644.5 387543.8125 274992.0625 412760.8125 439526.0938 310461.6875 293960.1875 451072.5313 429517.8125 296781.8438 429772.9063 249710.2656 272236.9063 451917.625 346452.9063 381635.25 340785.4375 354180.25 351829.5938 332301.0938 356789.1875 407648.9375 422041.125 231979.8594 362278.6875 532064.8125 236718.25 396935 484457.9688 239964.4063 341164.1875 422880.875 270844.4688 300783.7813 376312.875 230680.6094 262908.2188 448541.5625 347964.5625 373639.8125 400186.4063 323233.5 372884.0625 395028.875 358180.6875 315561.75 339419.375 333276.5 359180.9063 350130.9063 254253.2031 377004.25 332952.5625 262467.125 376124.5 318613.9063 339575.25 376177.75 444875.0625 225641.8438 379681.375 375209.5313 201506.1406 274581.375 466015.875 256961.2344 444168.3438 356663.0625 329576.5938 341148.8125 382722.25 416954.4375 394465.5313 335721.375 437518.75 368579.0625 411754.875 323015.5 429352.25 472282.7188 322203.8125 430054.4063 439437.1875 300754.1875 398006.6875 327182.2813 328458.5625 340532.125 445913.6875 516454.625 338627.5313 519324.25 317477.7813 458159.75 410249.5313 Lys-Asp 87686.23438 84863.27344 181596.6875 116163.7734 81799.42969 147978.5 104162.6484 84469.8125 173642.5938 85516.10938 82760.51563 168571.6406 89947.36719 139251.3438 166653.9219 115933.2109 117749.5781 139032.5313 103471.6328 154735.5781 174739.2969 117212.1953 147010.7031 169344.5 80492.9375 92566.33594 142305.625 98151.79688 88472.07031 134226.125 84875 78454.32813 146657.9844 114883.2188 105636.9219 158496.375 128764.8281 129193.1172 179787.0156 150250.75 152872.625 181898.8438 136316.3281 184692.3125 187792.75 141761.5313 175351.6406 156741.5469 102445.3438 91555.17188 142205.6719 89286.77344 91229.54688 159113.8438 102227.4375 106846.5078 192751.4219 105190.8125 91196 160284.8438 100392.0781 141922.7031 213712.375 125086.5156 162128.4219 152643.2656 113214.7813 134030.8281 168059.6094 112023.9219 119944.4531 163180.1719 97498.32813 79587.51563 147362.7969 92834.42188 78291.6875 180574.375 108854.3438 89071.70313 145476.0156 68830.91406 111501.4531 144807.3125 107063.9844 130630.4531 165696.1094 119515.5313 150313.7813 157988.9531 137330.5625 152102.1094 171471.3906 119292.5313 153370.7188 162863.7656 Lys-Asp-Gly 331580.7188 324280.7813 406548.2188 380691.4688 345790.7188 426638.4688 371568.5 332305.2188 468880 283763.5 232144.0469 424502 326633.625 437606.6563 510022.3438 389220.5625 386381.6563 428328.6563 334070.0313 465972.0938 448007.4063 472861.7813 433991.6563 422254.625 286698.8438 254397.9219 374616.8125 381427.875 266734.8125 448268.0313 315709.625 317156.4375 431051.3125 462481.875 327281.2813 445890.25 401736.0625 394909.1875 363848.75 486457.4063 383080.9688 467138.25 424279.3438 389273.8438 501695.4375 474959.6563 426071.3125 460015.5313 341807.2813 264498.875 461432.2813 284933.0625 282803.75 411022 318411.8125 353624.0313 494869.5313 376951.1875 300451.625 459497.8125 339376.625 525091.3125 749103.25 350783.5313 440820.7813 382669.0313 352478.7188 508846.75 472103.0313 392298.375 451029.7188 399118.8125 273835.4688 264079.1875 452542.3125 293864.0625 321282.7188 419141.125 355003.4375 308078.0313 430193.1563 288705.0938 318086.2188 458596.875 358453.8125 398952.4688 436669.3125 485928.0938 403221.4375 421373.4375 402666.5625 520654.3438 558006.5625 467045.625 502668.3438 482694.9688 Lys-Gly 68990.84375 46458.61719 32373.70313 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 51478.45703 42270.25391 30813.46094 74977.25781 43055.48047 48968.88281 87405.57813 70328.05469 56258.82031 121245.8438 65371.85156 71214.85156 0 0 0 0 0 0 0 0 0 0 0 0 75560.79688 47414.1875 37041.64453 38948.72266 12570.03223 14013.7959 44307.67188 5198.283203 5028.171387 31984.84766 3926.445801 3881.029785 0 0 0 0 0 0 0 0 0 0 0 0 65250.19531 38772.46875 37013.28516 66656.90625 30494.82617 23924.37109 51927.87109 14532.56641 14729.36914 50134.73047 10015.66797 9866.764648 0 0 0 0 0 0 0 0 0 0 0 0 LysoPC(18:1) 164777.5 272096.375 455937.6563 121309.7734 75365.21875 178402.0781 48614.20703 186360.375 214719.0313 0 45140.56641 0 141247.5313 235336.5938 417107.7188 268554.5938 399565.2813 307494.375 220588.7969 274839.7813 383961.5313 198482.1719 206170.9063 233920.625 150535.2031 289240.75 412537.8125 47742.45313 61116.4375 120989.7422 45098.69922 146706.1563 110124.0781 99914.11719 0 0 248706.3281 464876.6875 371530.7813 289395.5625 327404.6875 347283.8438 184785.0625 336089.375 267232.3125 287133.25 620069.8125 234298.9531 233975.9063 184481.4375 215013.25 26417.47656 107449.3594 215423.1719 0 99125.32813 64652.625 0 0 0 156573.8438 346442.3125 399614.9688 202694.4219 370943.8125 297963.0625 206625.4375 560611.375 410810.9375 351431.3125 332533.2813 252121.9688 277962.9688 223783.7656 271182.1875 108874.3438 112454.8438 178539.3125 75669.83594 0 0 0 0 127076.0078 138190.4844 279703.3438 316129.8125 270309.9063 583308.1875 338033.7188 345627.4063 326477.875 456844.8125 248475.4219 330507.1563 233561.7656 LysoPC(20:0) 52140.37891 56906.83984 86341.78125 59337.16016 67640.65625 51702.125 39956.625 63794.94922 37222.12109 0 24784.55859 56910.6875 54010.8125 76653.92188 61869.00391 54484.04297 101873.2266 75014.90625 73143.83594 96182.39844 105776.5 92138.98438 111872.2188 65887.39844 37015.99609 70385.73438 73850.78125 47633.14063 78024.32031 59269.58594 0 27470.90625 38788.83984 0 0 0 117831.2813 164550.4375 70747.96094 96206.44531 98598.39063 76649.75781 72797.85938 132069.4063 96782.375 96909.875 115291.8047 98396.00781 74521.72656 62681.26563 92489.74219 45804.20313 52593.31641 95800.39844 18942.09961 46334.13672 64550.84375 0 43329.67969 0 42651.83594 89145.54688 124599.8125 60725.78906 117700.8359 95014.19531 54791.55078 196316.625 57251.34375 52700.21875 94900.83594 106624.2422 85409.89063 59463.44141 92694.75781 35840.83203 56763.09766 87548.1875 15942.07129 74396.875 32020.33984 0 0 0 55883.50391 125363.4609 74185.85156 103296.4375 94697.20313 95886.48438 95393.97656 70766.85938 68800.67188 96207.80469 100341.6719 85487.46875 LysoPC(O-16:1) 127254.0938 192759.1719 196132.2344 218536.5156 143235 204806.6563 220005.6719 146133.5469 210535.8125 125029.4063 160615.5625 229352.2969 153741.75 213410.8438 183297.0781 200214.6563 273905.4375 274291.9688 203723.2969 286937.9688 199314.8906 196879.0781 197790.2813 227246.4219 154242.1875 136967.3906 213152.6875 111746.0078 138123.7344 153617.2031 111552.1406 198502.2656 219724.2969 123811.7734 150691.8906 168796.7813 211859.5938 368556.8438 203672.6094 249695.9688 236684.9844 253899.3594 178693.7344 376992.75 270510.8438 222834.8281 240238.9375 231772.6563 167208.4375 170326.125 209525.875 124309.8359 169135.75 196871.1875 175146.3594 182703.5469 238085.625 163230.0625 144761.75 180059.5156 122513.5547 231363.125 307709.8438 124279.3438 276259.6875 229177.1563 79891.49219 205083.0938 246273.0313 120790.9297 203550.75 214751.625 190726.4531 169147.9375 225152.7188 164352.2656 170837.2031 210981.1563 173502 129807.4219 186182.4219 100991.6328 160974.4063 220546.7344 182538.625 218963.7969 170882.5938 198549.0625 218716.25 171546.2813 201685.6094 217414.6719 167984.6563 193731.3594 202388.125 223434.2656 LysoPC(O-18:2) 70882.125 93526.30469 103277.3672 97763.42969 77833.29688 117554.9375 141326.25 84084.8125 96081.03906 97886.07813 117901.6406 140384.8438 64471.96875 126316.4219 100110.3047 86001.9375 139983.1563 92454.53125 96009.89844 152140.4688 121917.9688 114398.9844 145227.25 104221.6172 70577.60938 70995.50781 93421.34375 85317.71875 91366.67188 126876.6953 52287.17969 80661.14844 109994.7344 117113.0703 78528.40625 96361.74219 95130.45313 120460.625 126910.5469 83940.65625 116513.7656 134821.3125 90225.25781 184995.0781 109424.7734 90584.44531 111048.2109 109706.0234 94539.46094 104449.2813 91304.42188 73329.125 68614.39844 108179.4844 124974.5 115239.3594 91002.60938 84481.78906 98729.82031 102272.2188 75170.08594 111818.1875 146465.1563 66441.5625 140441.0313 111125.0391 60794.55469 95517.17188 122554.0859 65768.72656 126007.0938 131364.5781 106520.7734 85706.07813 114079.0625 77952.26563 102393.6094 140590 89172.875 93429.65625 85780.75 55981.57422 116458.5625 103159.7813 90394.11719 105492.3047 119595.8906 97737.40625 123082.7969 78623.42188 109144.3906 115997.2344 85684.92188 103117.7891 142801.6406 109006.4219 LysoPE(18:0) 146582.25 284696.4063 375140.9063 161158 127316.7969 159655.2031 86061.21094 153768.1875 172334.4219 56638.4375 70275.88281 92168.19531 183389.6719 342243.9688 332963.9688 242702.75 309864.2813 260308.5 191388.2188 239584.3281 262581.125 301572.75 276841.2188 279767.1563 111973.6563 200649.3125 215937.9688 71861.14844 136330.0313 141431.75 43762.14063 130210.3281 139241.9219 83319.14844 83870.6875 54698.40234 251385.0469 315944.9375 315262.6875 187185.5 389246.7813 313347.5625 268550.8125 420973.6875 260951.6563 230192.3906 328912.8125 202513.2031 207580.4063 153923.8594 250101.625 83290.4375 143913.5313 155125.2344 72407.34375 111711.7578 142284.4063 54572.08594 93781.34375 76187.21094 191407.5781 292737.875 411899.3125 176462.7031 300051.0938 267217.4063 185396.1719 270801.125 232883.0625 175860.6563 268051.25 227773.3906 190615.2031 201785.2344 192663.7813 149709.2969 152255.9219 182351.4531 82625.69531 137726.4844 98854.35156 22880.06445 92415.76563 99159.23438 212014.0625 338935.1875 179299.5156 270482.8125 264999.2188 232496.6719 318663.4688 236783.375 233380.5625 228849.1563 301468.5938 271861.7813 LysoPE(18:1) 91192.78125 113611.6094 491032.2813 117653.0781 119051.9141 125728.125 136224.7188 133625.5938 244851.8906 79387.47656 134610.25 151324.4375 66197.52344 119555.5234 419215.7813 106197.7344 348541.1563 205597.1719 177137.5156 268513.6563 269915.8438 130357.3047 134198.125 226148.4375 54874.18359 104803.4766 164545.2344 91796.1875 122455.5859 176126.9688 94540.95313 289170 289969.0938 276146.125 180966.5156 161452.9219 137561.0469 215724.2031 116588.5 191541.4063 218443.5625 461281.2188 121419.3906 834042.25 152304.9688 142682.0156 289655.9063 203671.3594 121631.0391 128422.5156 299734.3125 88898.30469 78784.24219 165950.9531 97644.91406 141173.5625 272793.3438 93937.36719 129631.8125 116701.8047 72571.41406 294237.0938 804138 65892.78906 221034.7188 103242.9063 57303.79688 404721.6875 230065.8125 50852.5625 259694.1875 175799.7656 101937 215162.8594 226851.0781 122078.9766 196451.2969 255006.2344 139403.5625 111555.2813 158586.375 52892.69531 145238.0938 245998.7969 103909.2656 205760.7969 143694.8281 175971.2344 272662.1875 154491.4844 187053.2344 183320.4531 120115.8203 120073.4219 319759.6563 92528.11719 LysoPE(18:2) 38708.97266 60720.52344 161250.2344 51288.86719 52947 47591.21875 79007.8125 58206.91016 60159.89844 52211.46484 72508.63281 49915.96484 36388.36328 76128.59375 101563.2813 47792.21484 145042.2031 59985.42188 68221.625 102227.4375 81169.48438 44994.91406 64705.09766 62854.24219 24111.76367 68964.67188 45244.89063 36533.98828 53431.24609 46094.03906 35386.60547 181437.75 94054.55469 123473.3672 77427.28906 61093.07422 48508.63281 126933.2969 32933.89453 75775.98438 110520.6172 97054.95313 52626.99609 341401.6875 32246.22852 81192.07813 165402.2188 46817.51953 58218.95703 58700.78125 92802.60156 35849.96484 24557.15039 53152.77734 38432.63281 82725.89844 67710.90625 48756.39844 55164.46875 37277.51953 29914.6543 114236.9375 199942.4063 27698.01367 111165.5859 0 37008.37109 188194.8594 69733.39063 41490.55469 144743.1875 48407.59766 45662.66797 131392.0781 65390.41406 40265.37891 129840.2031 80105.75781 56852.09766 57125.64453 43052.07813 15912.61328 79412.9375 68814.75781 44980.29297 87326.29688 56021.22266 74582.25781 129288.9063 39703.69531 100329.5469 97017.42188 21895.78516 64126.45313 160222 0 LysoPE(20:0) 326185.875 399419.5625 461921.4375 229432.1875 279767.9063 283022.7813 110602.4141 154206.1875 146502.1563 43625.93359 95703.875 88084.50781 428619.4063 556967.75 522668.7188 415952.0313 745758.5 477627.5938 416854.75 603877.9375 697690.4375 469799.1563 485206.2188 431638.1563 272416.0313 357642.8125 392003.375 168012 233303.1563 244543.5469 58507.79297 161428.8438 150887.9531 0 58248.52344 0 575599.75 821768.4375 345567.3438 542391 598258.5625 626355.9375 495350.8125 857823.5625 589177 580425.375 516370.8438 527038.875 347318.5625 438805.2188 389741.1563 122581.8906 248853.1875 237242.1094 73989.01563 172006.6563 134435.0156 13885.81055 76261.89063 58916.22266 355750.1875 556776.625 832074.1875 370794.375 708042.25 492900.9688 213485.8281 476293.9688 401175.4688 304334.7188 513138.9688 560444.6875 443519.6563 328345.4688 393711.25 188790.2656 247992.3438 271581.0625 67151.53906 154339.4219 127120.2266 0 83266.46875 55984.46875 520550.625 515714.4063 488223.9063 552918.3125 544273.8125 441287.3438 537040.125 462731.125 490014.6563 588814.3125 656776.8125 521446.4375 LysoPE(20:4) 68228.0625 83226.23438 484501.375 95451.26563 94869.32031 113835.0703 93420.05469 127821.6719 206348.5938 95318.05469 120478.3438 165623.0469 74144.25 141109.5313 488237.6563 86879.17969 399142.9063 218963.1563 252429.4688 236402 318666.75 119327.2969 157652.5156 208392.0156 44516.83203 112084.3438 128149.0547 67465.24219 119602.3984 143406.25 64886.08594 226220.2344 228102.2344 144138.2969 112222.4688 136943.6719 147453.6719 165950.7344 147769.2813 156430.7969 215075.1875 424191.8438 118770.7969 664500.5625 166062.75 208940.7969 266045.4375 178004.3906 110426.5469 111078.4219 273316.1875 70446.98438 69004.03906 144065.5625 101275.7656 130757.7656 245653.2344 82648.85156 83770.53906 129284.5391 73484.53125 229391.5625 836044.25 87013.03906 223166.5781 129511.1406 93994.61719 353802.1563 279093.5938 83588.95313 261652.1094 212068.4688 98715.66406 180469.7656 196718.6094 102503.7891 180793.6875 204878.3594 107627.1484 99800.30469 156047.5156 55409.6875 141327.1563 187364.4844 86873.28906 214922.2969 161491.0156 184910.7344 279939.875 161732.0625 191310.0469 235190.7031 133315.3906 143559.7656 300195.5 111344.1406 LysoPE(22:6) 0 18888.85742 173670.8281 0 42503.40234 57766.91406 42117.28906 0 78871.4375 0 0 80728.28906 20882.91016 63431.88672 137578.7969 19122.5625 72711.4375 83514.875 62745.54688 29749.91211 106052.5313 0 54390.16797 92974.74219 0 0 55954.07813 16226.65332 19691.16016 52836.89453 26263.06445 64941.90234 90217.39063 29526.68555 0 48998.98828 44666.96875 49532.07813 118969.7422 41190.31641 54711.00781 140123.7188 0 142456.75 81226.01563 76250 94988.5 68163.84375 0 0 85110.69531 0 0 23860.43945 20400.56055 43166.41406 97284.52344 16945.74219 21876.37695 50352.54297 17436.67578 82698.11719 290389.2813 14235.46094 30543.68945 56845.16406 26499.58008 124321.3672 99658.89844 32698.99414 70424.97656 100212.1875 0 59142.62109 101431.2188 15629.89063 44694.0625 70341.10938 0 22656.51172 76766.30469 0 27094.26953 79625.98438 28519.95508 0 58602.56641 26339.75586 71132.92969 90821.52344 58180.64453 56095.26563 41486.99219 19614.78906 89911.55469 27266.53125 LysoPE(24:1) 504590.1563 320977.2813 296812.625 578519.4375 495800.4688 283851.6563 550592.5625 495587.8125 258179.5469 470309.4688 469971.125 282472.6563 437260.1875 297553 314896.3438 432924.875 275314.0313 330118.1563 717589.6875 392157.4063 248578.9688 578279.9375 384923.0313 185938.5938 546508.875 435690.6563 250021.2031 393787.5938 423008.0313 236341.1875 561385.4375 325518.1875 206867.1719 433563.4688 247850.0469 332297.875 400169.625 405643.25 333705.5938 426952.7813 383179.2188 308132.9375 487777.5625 367682.9063 319404.8438 507850.6875 426931.3125 285496.8438 468331.6563 384587.0938 417392.5938 555112.375 366956.6875 303886.4063 588612.6875 275859.625 178425.9219 413233.8125 458255.5 208460.4531 421020.9688 300494.4375 350513.375 359112.4063 384730.4688 354465.1563 381227.4375 302029.2188 232392.0156 322378.8125 399151.9063 237481.1875 410680.1875 324637.4688 345937.9688 626945.75 405901.1563 210674.9688 586851.8125 443642.1875 214815.5156 438895.25 419626.1563 280153.2813 507608.8438 330393.4688 359799.2813 562906.3125 351832.8125 195903.2813 439626.0938 311115.5938 233437.4219 582427.125 360992.0625 309074.9375 Lys-Pro 128977.2188 136021.125 53832.60938 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 91000.875 63720.89063 67136.58594 135463.6719 84565.49219 92558.76563 198284.6406 99357.25781 128217.0469 274945.625 149187.7813 185616.6875 0 0 0 0 0 0 0 0 0 0 0 0 106773.9453 93348.49219 55585.11719 51970.68359 16742.93164 26208.0625 50552.45313 13735.91309 28412.76367 57060.51563 0 0 0 0 0 0 0 0 0 0 0 0 0 0 108706.1484 70140.92188 69659.95313 88558 33719.02734 36400.22656 63515.23438 32848.76563 12968.32617 83443.75 25944.39258 0 0 0 0 0 0 0 0 0 0 0 0 0 Lys-Thr-Ser 119216.4688 128623.6719 58803.73438 148284.4531 112977.9688 56756.38281 158358.3125 118402.375 71015.10156 146877.2656 129752.875 61430.46484 122822 201841.0781 56576.66406 174573.6563 153645.5938 47395.79297 136689.0938 160709.7344 48860.85547 148961.8125 157495.4375 49864.65625 104578.6328 111645.625 61253.85156 120101.7188 118638.8359 55683.68359 121179.3594 104747.4297 63706.32422 152039.4531 117457.1172 73974.61719 174423.6719 156281.8281 55331.93359 150600.9375 148507.1875 54328.05859 183817.3594 170214.5313 56446.30469 164171.7813 172561.5 48748.71484 146148.3281 110637.5781 66116.47656 114792.1484 100795.7031 76279.64063 120347.8203 128477.5859 61841.07031 164403.3906 131583.625 58359.91406 154218.0938 158458.6406 91126.82031 120081.9375 149869.75 53697.65234 156476.1563 136947.2031 46692.49219 142609.3906 185936.625 47845.51563 143126.5156 109626.7031 59971.06641 132605.375 114457.9453 72459.63281 132691.0313 112123.4531 63906.53906 115047.4219 133033.7656 71153.33594 130762.3359 201126.5 49078.52344 157103.9844 170282.7656 54866.38281 146251.4688 164684.6563 49801.31641 153343.8906 160752 55941.85156 Lys-Thr-Thr 59701.25391 61642.80469 52366.04297 82047.78906 60225.30859 50972.76563 67014.07813 48479.52344 47385.40625 82769.07031 57764.80859 63819.17969 50692.10156 75768 59652.45703 62313.44141 69973.40625 55491.41016 59575.1875 78093.82031 49551.66016 63385.75 82720.14844 52719.92969 49333.21094 63135.70313 50382.24219 61369.50391 53758.74609 59079.09375 63193.34766 61477.07813 53830.28516 71906.875 51507.92188 55889.80078 75162.85156 69165 46879.5 60760.89063 67187.07031 56402.32031 86014.25781 80893.96094 53559.14063 106379.9531 76363.17969 51299.27344 71586.46094 52115.68359 53304.44531 63706.20703 55557.05078 47274.00391 83476.10156 67418.92969 53359.41797 87131.32031 59599.75781 44018.44531 47806.70703 83393.92188 83846.51563 67924.625 79983.29688 71688.42188 56709.07031 82848.84375 45813.02734 56568.65234 72713.38281 49478.5 70264.65625 43838.36328 52917.53125 62288.62891 57340.26172 52550.42969 64518.16016 46353.83203 49318.91016 77422.9375 59822.16797 48550.03125 65340.68359 67637.66406 48727.74219 73147.63281 92225.01563 70010.47656 74458.6875 73501.52344 53614.625 75699.15625 70701.21875 56914.38672 Lys-Val 81373.05469 59009.87109 28938.5625 6496.788086 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 96600.75 53916.87891 47583.99609 119567.8438 77449.4375 86554.5 153314.2344 106771.9531 73284.39844 190331.125 116018.2813 101174.2734 0 0 0 0 0 0 0 0 0 0 0 0 110551.5078 48106.89063 32731.16211 60377.72266 13901.14746 17667.34766 46637.27344 15305.33594 12871.73926 35526.52344 7990.040527 11736.21582 0 0 0 0 0 0 0 0 0 0 0 0 102016.9844 57714.98047 30402.12695 84077.78906 32916.04688 38739.10938 52497.76563 35982.85547 19707.62695 34351.12891 23565.16016 14440.81055 0 0 0 0 0 0 0 0 0 0 0 0 Magnoshinin 68998.53906 45264.47656 87929.29688 42403.00391 33904.25 78540.47656 32927.91016 50564.49609 86039.61719 45653.77734 39137.19531 84193.72656 102894.7813 95591.6875 63027.31641 51041.01563 97933.82031 99609.30469 83819.10156 108123.9609 110559.2891 92756.05469 80523 129587.3828 58368.47266 32592.3418 65387.15625 55701.32031 64777.83203 67922.50781 88074.24219 78456.14844 90507.92188 49146.66016 78055.85156 114393.2344 33657.96094 108972.8906 62819.12891 48323.50781 94582.53125 81273.99219 86077.03125 86210.08594 71635.96094 45410.61719 71962.23438 95539.92969 41181.37891 57333.01953 81557.30469 52639.21484 30564.94922 82176.64844 69188.875 40925.56641 105798.3906 52697.71484 39692.54688 94623.35156 104873.9766 96431.78906 216374.1875 94300.46875 71804 84696.17969 111450.9766 85812.67969 95777.79688 99353.39844 98759.09375 94815.89844 46176.96875 58780.02734 83853.03125 58849.14453 26902.2207 87564.67188 66446.15625 54453.21875 71668.20313 69728.53906 28474.91602 82179.05469 101442.1016 76695.08594 80760.75 49932.79297 91952.71094 91841.70313 67532.41406 102855.3047 93702.76563 62633.83984 64160.09766 89898.83594 Melicopicine 71901.53906 65970.08594 55279.64453 61469.08203 90116.35938 65942.70313 72647 84062.40625 105521.3359 61580.70313 30470.37891 82548.375 56361.80469 131822.7031 64241.30859 100052.7031 107204.5781 63041.53125 42375.27734 47463.17188 72289.35938 45423.0625 104668.2891 88795.14063 35848.96094 72548.125 71881.91406 55366.16016 56933.82813 59066.46875 76061.96094 50364.04297 95959.44531 82883.15625 41036.11328 72295.03906 55368.25781 77100.71094 74509.72656 67913.49219 72579.9375 51657.07031 68336.89063 38058.96094 77731.9375 38284.57031 77274.16406 80034.09375 87920.23438 78571.0625 68221.74219 77046.32031 54565.34766 64256.35547 73269.47656 129489.3672 93754.60938 72700.54688 42447.625 96051.46875 40994.60938 92721.89063 95115.73438 59503.40625 133182.125 68396.20313 71365.16406 78233.30469 68211.82813 27967.86133 54116.37891 75286.14063 59234.26953 81038.14844 65001.52734 76702.95313 100444.1172 74757.09375 92733.91406 71921.25 122856.5078 50958.21875 38619.72266 97738.92969 34456.50391 96352.29688 64051.92969 58614.92578 85008.78125 36422.03125 73652.89063 63662.87109 79046.13281 45473.63281 91064.63281 59610.09375 Met-Ala 154044.0781 213821.2344 157949.2813 211949.875 163696.1094 253184.2656 262942.1563 175444.4688 209813.1875 206775.75 193288.5625 230655.0313 68464.67969 96115.55469 142943.625 133401.0156 121700.1719 133046.9688 145393.5781 123386.5391 102759.2891 106377.9609 142196.8125 88921.45313 166380.1875 264513.4375 180778.7031 196879.2656 166708.0781 181940.4375 187088.4375 173580.3906 179514.7969 233798.3281 182449.7188 167514.8906 103859.6484 127928.9219 100924.9609 87082.74219 102020.7578 102207.3125 104059.8516 113969.4219 104539.0547 157941.625 122261.1094 99632.38281 189240.0781 230135.2813 202818.4219 166751.3281 212633.4375 241409.8438 203011.0156 180941.9844 177256.25 208118.3438 189109.5781 201853.7188 118765.1328 165674.3125 152795.6406 99031.27344 86359.78125 159772.4219 122832.75 136872.625 102543.3203 101543.6563 138321.6719 136692.3281 203456.25 206343.9375 186815.0156 227672.4531 180790.7031 206768.1563 198372.2031 161986.7656 185704.2969 173132.25 275468.875 208882.8906 144400.25 120105.2891 57664.26563 96899.17969 103094.9922 91959.85156 139696.4531 111975.1094 111555.6797 88056.32813 142866.6563 110975.9375 Met-Asp-Ser 44448.73438 91488.35156 44980.54297 72918.52344 75330.66406 62203.54297 71070.875 65427.73438 59192.06641 53475.57813 105477.4141 68862.04688 55667.63672 40319.78516 59681.82422 89414.23438 83356.20313 44491.19531 97448.13281 113654.5391 62795.97266 112337.6875 142152.2031 78455.53906 68938.07813 65674.63281 74294.04688 65034.47656 58414.32031 88250.82813 79006.22656 54566.10156 64487.64844 82838.85156 68045.79688 78372.21875 45295.96484 69645.20313 42028.70313 113604.7422 70419.74219 37979.03516 95494.52344 116263.3672 83208.46094 118589.375 98797.89844 70298.02344 56243.28125 74580.53125 52497.66406 50344.0625 67932.86719 53026.87109 50893.07422 80990.50781 71731.84375 60959.88672 66004.36719 62367.90625 40642.17188 38759.82813 82048.14844 76697.61719 96376.42188 57857.84766 119992.6484 151256.4688 63118.21484 93830.57031 111122.9063 56032.99609 81279.04688 63309.91797 51301.60156 98739.07031 81207.17969 82799.71875 65521.03906 77970.52344 69328.74219 79066.17969 130258 90959.57031 73253.9375 32461.41992 38066.73828 97747.77344 87189.94531 49884.30469 116717.1875 110704.7031 79522.5625 113334.1094 113887.1953 84937.64844 Met-Met-Met 93744.5625 99799.19531 153106.1563 86354.88281 89071.5 155542 120407.2109 60273.74609 133366.9063 75946.99219 109298.0156 206479.9063 117813.7344 129154.9766 241369.5313 137422.4844 165443.5 196427.25 175309.9844 192521.3906 193391.5156 163657.2656 192993.4375 178360.2969 126071.2344 88920.125 169381.3594 122510.5313 73033.33594 232368.7031 101801.4219 99364.13281 163343.9531 154047.4375 188739.7813 203583.3281 150985.3125 171767.8594 163031.8438 188218.5 102371.4141 163159.0156 151981.5781 201819.375 175371.9063 155341.9375 297036.6875 224598.4688 73002.57813 92416.40625 192324.3281 89600.26563 63528.27734 179062.25 103068.2266 111793.8594 136494.0625 124718.0313 98591.40625 133804.1094 101972.8281 221494.0469 235635.7969 133828.3281 146942.3906 165703.0938 153846.8281 186491.5781 186848.1094 158443.9219 211829.5 227456.5938 114869.1484 72607.27344 186250.4063 88738.75781 96082.29688 170753.8594 111627.3203 118220.2344 125092.0313 102714.3672 203552.1563 167191.3906 158999.4219 138695.0156 146787.3281 142167.5 161118.5781 153129.9219 130535.5547 229255.9844 138492.7813 199995.125 203445.7969 192950.5938 Met-Ser 144174.7656 103283.0781 61916.64844 196084.75 76098.10938 138352.5938 110594.625 108225.7578 131831.8281 84523.5625 99334.16406 105464.9219 47501.67578 58168.48438 92875.71875 67776.14063 66533.69531 64816.20703 62361.87109 70492.60938 48235.06641 52478.26172 59632.23047 53938.57031 83726.32031 107237.7656 91536.5625 114617.5234 76533.96094 102049.1406 119934.5938 108392.875 171201.6406 137009.4063 80235.48438 107611.8828 57506.80859 87093.94531 46750.98438 29390.64258 59307.74219 36798.35938 36251.32031 52909.49219 42161.69531 62242.07422 39925.32422 48861.58984 94747.60156 108632.1719 86288.69531 86717.14844 121043.5313 82550.65625 134281.9844 85481.76563 75410.97656 98970.23438 87661.41406 113862.9844 52780.15625 93762.60156 65401.49609 63622.90625 21426.2207 93514.3125 55033.95313 51437.92188 35760.45703 48018.94531 73113.53906 54390.61719 141841.6875 105827.4688 84025.71875 183139.1719 87233.89063 91575.28906 132784.9219 93518.72656 86310.69531 112749.7578 121818.5547 85871.28125 89507.14844 54574.55469 29653.92383 57717.61328 63212.84375 43404.61328 45442.81641 52771.96484 43769.86328 67301.71094 70903.46875 47623.46484 Met-Thr-Asp 22750.24219 30282.32617 30774.10938 30144.82227 29124.41211 36742.32813 38694.84766 39331.125 57084.48047 40661.69922 60985.78125 75827.50781 83527.9375 85593.6875 79176.23438 59385.6875 60358.375 75660.73438 81775.89063 104061.4141 108995.5938 106491.4063 134884.6563 108869.1016 32924.51563 38798.06641 27666.64844 33654.00391 28694.30273 35771.90234 32108.46289 35617.44922 54228.60938 32299.00977 45660.66797 58740.21094 72307.41406 84980.02344 36868.125 72752.91406 68015.75 55430.42188 96850.08594 96833.28906 87546.6875 102673.6094 124129.1484 129409.2734 19697.05078 33560.43359 29227.93164 25326.09375 24405.10352 41367.67188 29955.45508 33570.78906 49129.39063 32960.55078 47870.57813 67684.77344 61688.00781 71492.1875 97327.71875 63414.53516 69452.21875 69291.10938 71462.64063 81387.46094 90351.55469 82290.8125 132394.9688 107103.1016 31128.75781 47065.06641 27345.0918 29566.54102 30555.44531 37241.26953 26552.60938 29439.66992 34881.49219 35149.74609 36818.875 75007.61719 78810.63281 71669.64844 46715.55859 66480.03125 70480.875 66114.36719 83455.34375 118563.2656 124524.1797 93984.71875 162941.9688 122311.0078 Montanin A 184294.0313 215006.3438 218867.8438 229062.0156 171295.0781 333559.3438 220011.6094 248268.5313 289370.125 186179.1094 228790.6875 228150.8281 190378.8906 182422.5469 335098.9375 236890.5938 202269.125 200090.3438 168438.9219 254150.7344 267102.4375 199342.9375 137802.4375 215920.5 148683.8906 196920.8438 285547.0313 186468.875 167004.5625 248875.6719 170995.9375 236857.625 249011.8594 234544.2344 217182.6719 269769.125 223738.9688 333802.4375 238981.5625 153043.2813 284994.4063 260904.3906 268952.5938 333309.625 257967.4531 195035.6719 368327.5 298388.0625 263011.9375 221867.2813 377902.75 145431.0781 244499.6875 196388.8281 229163.5 250874.5625 257433.0156 166688.8594 165981 210228.3594 147093.3438 247610.1563 192103.8594 132334.625 168386.7188 226160.5 145953.1563 263518.125 216124.0625 153532.75 271549.7813 248152.9375 269167.25 160078.7813 269879.9063 192223.9688 242970.5781 255373.3594 246780.8281 218061.1406 270609.625 197000.9531 201251.8125 280841.125 188489.7969 287319.3125 267065.5625 280834.9688 288393.5938 191778.0156 247582.2656 223193.8125 238658.3281 252297.5781 207161.9375 289893.6563 Myricoside 48895.84375 85760.0625 36150.625 85140.6875 82077.46094 37734.17969 69822.42969 111435.875 57270.38672 69419.30469 80166.4375 70833.45313 33987.88672 84505.27344 56784.71484 49966.30469 147543.4844 38764.05469 29758.53516 115611.8359 54147.75781 75353.90625 79281.76563 70132.77344 28153.66992 110139.5234 73621.58594 45569.78906 86149.64063 49498.17969 54800.20313 92309.9375 38180.80078 109449.5313 86376.21094 86027.38281 55257.41406 88552.28125 50715.65625 59168.01172 84338.9375 55824.72266 70729.96094 100740.0313 67378.03125 70927.26563 66586.0625 66812.22656 48473.47266 84050.4375 69194.375 53619.07813 68056.74219 57613.16406 98740.88281 107707.8672 51966.30859 60102.91797 75708.85156 55827.63281 30185.63086 70194.53906 107510.4453 39868.46484 88626.03906 47266.44922 53804.51172 131276.6875 42123.01563 69306.57813 77002.21094 56112.01172 59428.23828 76972.24219 48378.48438 57236.21484 116002.2266 57181.17188 78202.91406 108211.4063 36433.97266 52994.375 101414.4688 77666.47656 18446.11719 115368.8125 58518.32031 60871.21484 94287.96094 43497.28516 51826.78516 85753.14063 46015.38281 74231.38281 64228.85547 66756.70313 Myxalamid D 73515.3125 90135.36719 80053.375 72381.67188 88990.39844 82579.99219 70748.33594 81582.00781 122670.2656 117450.7109 94956.1875 99651.92969 44248.94531 77178.19531 152639.5313 69880.41406 96088.07813 77371.74219 66889.03906 87663.95313 104583.4688 76337.36719 99607.75 82161.03125 57407.72266 74485.97656 80325.88281 76850.60156 98351.71875 83062.57813 46127.08203 85421.76563 82308.23438 78125.22656 71056.52344 73016.61719 61929.47266 68586.53125 99694.20313 59831.49609 69049.1875 85177.14063 72208.13281 61251.44141 75775.20313 82995.78125 64397.97656 73155.15625 87174.71094 102371.8516 81217.64063 64154.44922 72950.27344 76938.14063 90533.69531 148153.7813 63219.23438 119120.1875 104005.5 96899.1875 64158.34375 97035.41406 104081.6094 41912.96875 96481.57031 69881.125 44786.15234 103219.3047 73423.375 57795.70703 70527 86999.01563 97242.1875 102409.5703 74940.52344 67721.39063 85272.69531 132731.4219 56383 80699.26563 96760.44531 51184.23438 96932.86719 77815.4375 96724.79688 116829.2656 95724.52344 79338.48438 84325.85938 93113.09375 117249.7344 112505.25 82653.97656 111009.0703 106322.5938 88775.38281 N-(L-Arginino)succinate 217105.6094 213571.2813 333333.0625 192538.6563 153312.0938 398003.4375 218238.7188 149192.3125 393266.8438 208035.2969 164915.3906 389306.8125 193763.0156 285557.0938 314051.2813 213887.25 199428.0313 275454.75 164399.7969 207072.8594 259452.9063 197205.8438 175365.5625 245033.875 234742.2656 229430.25 316917 231279.4688 167805.5625 483362.1563 172598.375 209228.6719 354366.875 311965.5938 220644.7344 342997.4375 233979.2188 275576.2813 334764.75 234501.625 249339.375 220623.7656 175686.9844 184760.5156 294607.6875 173985.9688 158413.625 225754.5313 252207.25 237389.6875 365011.8438 154360.3125 178056.1719 351735.875 256388.0156 182549.7656 359847.5938 204782.5156 194676.2656 297611.9688 230053.8438 271590.0625 615557.875 233314.75 194737.1094 279730.5938 125319.3984 189590.1719 226378.4531 128170.5938 220468.4688 183242.4531 257252.7188 193759.6719 274369.625 213087.875 176439.1406 469773.9688 183088.4375 197797.9219 319807.6875 199774.2656 188347.3438 370080 262281.75 255026.2656 287788.25 216784.125 209148.8906 221288.0156 212667.2031 180387.9844 228013.2656 166525.125 187783.9531 253430.3438 N(pi)-Methyl-L-histidine 43294.26563 0 310540.4063 41431.08984 5449.779297 188775.7969 28846.85352 6312.686035 109791.7031 23285.50586 3743.505615 97825.22656 184413.9844 221660.2031 252615.1406 161790.3125 114091.7578 123243.6797 104989.4297 104360.4609 81584.63281 80094.17188 67640.80469 64321.51172 44705.74609 5435.02832 295848.8438 34101.82813 5762.213379 165269.7656 33004.97266 6243.675293 107699.7578 21671.55469 0 71783.28125 190437.7813 164876.8906 192542.625 129783.0313 150270.8281 92749.8125 116583.3047 85176.34375 100527.0078 87403.5 77700.5625 65087.45703 56172.64844 5507.803223 233296.4844 31383.47461 4406.162598 232603.6875 28404.37305 5479.700195 107299.2031 32680.51367 6226.521484 52018.39844 167140.0156 170847.875 382731.9375 132504.0469 107333.7656 144408.1563 128379.0781 85342.92188 92317.42969 59128.25391 86607.83594 64024.41406 44213.19141 0 285829.3438 38677.26563 5856.381836 215566.7969 24296.48242 3790.308105 106067.1563 18468.47656 3907.560303 88272.21094 164397.6875 151527 158511.5156 150359.125 143706.9844 94900.6875 112429.1484 105577.8438 121987.1406 88812.97656 78787.57813 69393.88281 N2-(D-1-Carboxyethyl)-L-arginine 62190.92578 0 33038.41406 34241.83594 0 17221.65625 37929.26563 13651.53906 29919.15625 54036.69531 18568.93945 50058.82422 11702.97168 12433.5332 18797.61719 0 0 0 0 0 0 0 0 0 45336.8125 12784.55273 21652.14844 38143.01953 12589.11133 39694.57031 99737.46875 37787.37109 74662.33594 153424.1094 69963.24219 139315.6094 0 19066.80859 0 0 0 0 0 0 0 0 0 0 54332.38281 0 18105.96289 25250.23828 14195.49316 15470.87988 67144.44531 24947.58984 45236.59766 68887.40625 39653.76172 71642.07813 0 16547.36133 46704.87891 0 0 0 0 0 0 0 0 0 38382.48438 20579.28906 19261.9375 42427.64844 13880.84863 24763.54883 51656.80078 28467.45898 59985.09375 97234.34375 64083.39844 52934.53125 0 0 37110.98828 0 0 0 0 0 0 0 0 0 N2-(D-1-Carboxyethyl)-L-lysine 52047.26953 59758.46875 95563.90625 54512.56641 64147.90234 80426.70313 55165.11719 55538.99219 99133.71094 56633.21875 54671.41406 66925.35938 51307.92969 68682.32031 50414.91016 59244.67578 62262.33594 36369.35547 43406.54297 56034.79297 53839.39844 68025.22656 58571.62891 56823.85938 51799.86719 55366.15234 90073.1875 68235.05469 41257 90249.73438 59199.55469 57962.80469 89151.82031 73567.32813 65928.51563 134427.7344 46654.82422 61170.09766 39907.07031 55827.19531 56528.15234 51734.92969 49235.23047 55766.82813 51756.0625 82339.71094 74576.22656 41640.20703 61048.44922 60527.16016 65452.25781 52102.21875 58993.88672 71050.19531 65569.5 62635.55078 84119.8125 64454.46875 61526.47266 108871.2969 47309.92969 54909.90234 98891.8125 52800.40234 48091.01563 53827.28516 43200.35938 63126.45703 42262.02734 58435.35547 52419.35156 42047.79688 58232.41016 48447.84375 71420.49219 70156.32031 59695.84766 82127.78125 69081.97656 55737.28906 81608.4375 50638.82031 62813.35547 71080.78906 46978.4375 49937.80078 45924.29688 67847.11719 66406.20313 50875.17969 52052.07031 55841.85156 49195.92578 61364.4375 58003.24219 51469.12109 N2-Acetyl-L-aminoadipate 76989.20313 50071.73047 57596.46094 92475.88281 73226.67188 65358.48828 71380.5625 70326.40625 60344.08984 77234.34375 57202.57813 71733.95313 76520.57031 79252.60156 64779.32813 87495.32031 95887.49219 69199.14844 73141.64844 83389.54688 87467.78906 82763.44531 105009.1953 74287.89063 66996.11719 62740.05469 68145.41406 73250.61719 61078.57031 50052.85938 75020.10938 64589.10156 61699.53516 83799.91406 64557.20703 62882.88281 92600.28906 96749.50781 66071.33594 95903.30469 92457.59375 60451.30859 88399.34375 92630.51563 60363.14453 98500.96875 91513.28906 69936.21094 67450.8125 74700.07813 60715.96484 63841.84766 89255.80469 66999.89844 87669.375 70954.89844 61877.48438 70849.35156 77901.34375 58957.86719 76587.55469 96115.15625 90983.70313 75232.84375 98714.8125 84356.63281 69309.40625 87257.75781 66466.67188 68272.92188 114077.3203 62446.78516 83456.39063 72993.40625 60039.9375 67432.5625 61542 89726.97656 77602.65625 68763.61719 66804.13281 60129.34766 70872.625 65188.17188 82328.97656 74435.625 54320.53516 85603.03906 81009.01563 62058.84766 95276.125 101851.8125 69099.42969 89078.63281 85103.32813 82152.77344 N6-Acetyl-N6-hydroxy-L-lysine 135310.1563 133590.1563 203949.1094 222601.625 181544.25 180592.4375 166909.3125 137133.9531 205788.3438 154610.7188 156608.1719 184825.0469 145369.9219 208893.9844 147397.3281 146252.4688 230398.1563 165141.0156 143235.6875 184908.7344 181102.1406 207551.0469 175360.125 199494.9375 126501.8906 177232.9219 185946.6875 192883.4844 162847 193027.1563 164412.1875 160196.3438 175964.9531 186742.7031 132466.625 189905.4375 161730.2969 166857.9844 176672.5313 182315.9375 216516.5938 211215.6563 183222.375 197849.4531 178058.75 178968.7813 184947.3281 182696.375 161651.2344 126617.3281 158593.0781 104950.5 145381.25 178245.6406 172344.9063 170488.1719 173679.3125 166020.5469 149649.1719 166728.7813 148168.6875 199020.0625 289391.1875 163886.0625 207766.9688 194905.4688 145461.7969 193064.1094 183081.6094 186132.8906 174760.0313 158930.6719 180485.4219 138609.4688 156087.1719 194503.9063 147590.375 186699.3594 147025.6875 166240.9063 155134.8125 154264.875 139023.75 170239.7969 138585.2031 140527.3438 170271.0625 186530.5781 190795.9531 145105.5469 243803.6094 224907.5313 164354.2344 179298.3438 212087.4688 174764.0469 N-acetyl -D- glucosaminitol 73598.35156 75568.64844 214031.7188 115093.7266 72744.5625 217446.6094 80467.46875 85816.09375 186071.6875 64481.10156 91296.3125 289354.9063 109476.7031 129900.4063 233995.4063 109503.3203 142793.4375 240158.7656 95109.90625 123792.8281 414059.5 106884.3359 188478.1563 243804.1719 82141.51563 70473.45313 200129.6406 81878.40625 67733.55469 171728.2344 81471.71875 77533.5 166437.7031 71034.22656 105321.5 175830.9688 104217.8281 117892.1094 218027.5469 150148.2969 123595.7344 314358.1563 109154.5547 130665.9688 234995.8438 105824.3281 155406.1563 219391.7813 62840.64453 78557.60938 181654.1563 93453.34375 72131.41406 203059.2969 84995.53125 98347.79688 181245 91457.80469 95222.97656 200915.3906 93639.875 128900.2734 435339.3125 103795.2656 138022.2344 288163.4375 99927.89063 142254.125 239543.375 127550.7266 139746.25 214294.1406 83060.30469 81416.875 220124.8438 91570.51563 113008.2344 281034.5625 73687.58594 75824.94531 177825.6719 56362.5 73485.1875 188791.6875 110016.9219 111172.7813 223095.9375 150274.2813 160152.9219 259053.8281 107996.4766 173810.9531 278916.7813 142593.375 159883.375 262681.8125 N-Acetyl-D-glucosaminate 38660.82031 71067.67188 67647.85938 77678.07813 62466.66797 61751.88281 74868.24219 51370.78125 125950.4609 35558.24609 38164.36328 70101.17188 50589.25 56164.26563 177589.3906 65313.19141 109865.5547 78527.67188 61631.99609 42945.50391 93628.77344 75926.45313 39428.33594 81853.98438 60803.35156 78143.67969 137836.6094 37487.79688 45032.37891 76792.0625 41359.53906 80802.85156 67231.86719 61059.15625 76177.57031 141822.375 40213.36328 74662.85156 75894.42969 119629.2656 88094.04688 49289.86328 56854.42969 61945.32813 75910.07031 59338.28125 62097.99219 67081.19531 66600.03906 69496.5625 134723.8906 31864.08398 56374.17578 66147.11719 93178.41406 70083.39844 110850.9531 45715.28125 36950.38672 59307.72266 99479.6875 118040.9531 327683.6875 106338.7031 109357.6719 121843.5469 74637.14844 160083.0156 148506.4531 78264.51563 160515.2188 173494.6719 63574.09766 65471.35156 121262.8984 57756.51953 82807.82813 148219.1406 55645.49219 33729.66406 54732.01172 57339.85938 41750.19922 66534.59375 55681.23828 43071.78125 76284.11719 41782.8125 74198.28125 55556.00781 110617.3125 73691.0625 67941.05469 88161.21875 128776.5547 161036.7344 N-Acetyl-D-mannosamine 69421.875 79986.17969 58191.41406 135593.125 77407.26563 53488.21484 113491.8828 91645.92969 58150.70703 66542.04688 97227.50781 64456.67969 84231.05469 112780.7266 56579.66406 97823.42969 140687.4375 52572.29688 94680.53125 162576.0938 48291.58594 99453.05469 143409.6094 55431.75781 89640.96875 89364.39844 55714.03516 84101.95313 96988.21094 50500.95313 97810.96875 79361.51563 69111.48438 96551.08594 85290.21875 47857.36328 99639.46094 103462.1484 49889.76953 98688.35156 151466.7031 56465.23438 121573.5078 122571 55517.71094 91461.30469 118281.9375 46011.75781 93398.32813 84920.95313 43055.87891 85033.96875 90868.92969 39901.13281 84002.44531 90870.85156 50409.73047 108823.9531 70709.8125 47900.97266 126849.2656 135711.0625 70699.17188 112886.1641 147978.7344 58362.23047 94901.71875 127357.5234 50781.20703 94270.67188 174750.2813 56427.27734 85706.53906 74600.92188 44755.34375 86673.23438 81948.25 60911.90234 118055.9688 108731.7656 43744.19141 117008.75 119481.0078 48591.94141 74266.11719 137370.1094 51869.86719 107432.0938 164161.5313 88111.04688 118917.7344 148177.7344 65597.32813 131370.7813 108972.1563 56734.05078 N-Acetyl-L-leucine 50049.85938 50967.61328 376194.5938 73434.71094 54132.59766 323981.7188 65383.85938 62220.42188 359089.75 59464.9375 50461.03906 327959.6563 63823.49219 81762.14844 412357.625 86510.57031 114085.9688 362558.7188 61920.47266 90045.27344 536996.8125 77878.19531 83620.39844 407431.8125 49596.33984 53790.32031 311275.875 71544.22656 67640.6875 328045.125 55585.85156 47874.07422 362609.5313 85019.60156 53044.62891 285998.75 76729.65625 99264.89063 388738.1563 74926.9375 90081.625 438591.2188 74869.38281 84579.375 503938.5 83739.24219 87386.69531 379097.2188 63625.20313 53184.10547 349541.3438 53363.60547 47834.62109 370395.4375 56151.76563 52749.49219 311423.375 74453.47656 48904.14844 318486.1563 65794.66406 89207.86719 575911.875 70930.52344 90621.6875 407063.25 65308.73047 80056.1875 400038.0313 77061.48438 96196.92969 455807.0938 67074.20313 62661.15234 297815.125 52070.73047 50759.33594 410623.875 71625.67188 55637.96094 319178.6563 59594.73828 55134.4375 368137.9063 69337.67969 92200.25 430253.7188 67981.13281 93021.35156 359311.0313 84080.21094 91677.44531 409472.5938 81440.25 80040.76563 421237.6563 N-Acetylneuraminate 52617.46484 61414.03516 157234.6875 72203.78125 63687.28906 111337.1016 85182.96094 81953.6875 159148.7344 79519.5 85417.82031 168387.2813 111273.2188 95207.42969 135175.8281 105902.1641 152257.5 160723.3125 122618.2266 181029.5938 142696.2969 118309.8984 152146.9531 155776.1875 89272.75 92952.10938 104085.0313 91307.22656 63857.30859 118582.4063 66595.22656 83646.13281 115563.7969 118446.0469 107484.5938 130017.5156 93543.27344 161338.125 199728 118689.125 178575.1563 110684.6172 105680.3594 135554.3594 138762.9688 163625.0313 130805.2734 129003.7891 69976.92188 48930.42188 200068.3594 63340.55469 59940.84375 142732.6719 77643.59375 87072.34375 79051.82031 91157.22656 82638.47656 120344.1406 86805.14844 99623.98438 270750.4688 94342.66406 134890.6875 126570.6953 100539.2266 100800.1172 153347.1719 136577 132972.0781 157132.7031 82856.75781 51097.55078 113696.9531 78586.28906 84335.64063 143466.8281 86829.52344 70799.71875 114466.375 64933.47266 106953.9844 168554.3594 84733.95313 128217.9688 185706.875 188124.5 114190.5 165962.8125 109102.7734 132283.7656 193024.5313 119159.375 165053.2813 130684.1016 N-Acetyl-O-acetylneuraminate 222324.6875 199679.9844 233883.9219 737857.625 524780.0625 531251.3125 943086.375 835638.875 715183.375 936676.75 681787.75 757433.3125 0 27937.31836 0 0 0 0 0 0 0 0 0 0 168379.5 222029.7656 175846.0781 347884.25 289942.4063 381978.7188 362243.2188 351386.2188 381750.8438 258749.5 285687.9375 273691.375 0 0 0 0 0 0 38955.85938 0 0 0 0 0 257552.25 200701.0313 197273.0469 547535.5625 512075.7188 715617.625 732005.25 885309.9375 912680.3125 1085128.375 814654.1875 912916.5 0 0 0 0 0 0 0 0 0 17671.41016 0 0 286741.4375 249891.1563 143393.125 572339.875 291749.1563 405575.8438 1012295.125 646460.9375 757810.5 711016.1875 890815.625 727032.875 0 0 0 0 0 0 0 0 0 0 0 0 N-Acetylornithine 46363.09375 27786.01758 59701.29297 55615.0625 26344.17383 60283.28125 43829.1875 29104.50586 58971.42188 35189.83203 24203.21094 56633.02734 145240.7969 221554.125 84428.25 110787.6094 141887.7344 77440.65625 87534.23438 116526.5156 73067.21875 109578.2969 114567.2188 69420.6875 63841.58984 24557.79297 45625.71484 62832.80469 28711.91406 61955.43359 40747.62109 30187.74609 43023.13281 45530.45313 31750.08984 61806.41406 122207.7891 174437.9844 75191.50781 156349.0156 130710.7813 87313.30469 177278.5938 128480.1563 76127.22656 141851.8438 97568.78125 50906.86719 55416.42188 29959.93164 56504.19531 59981.60938 25856.58008 50892.11328 64681.45313 27689.39844 56575.76953 35334.19531 30916.74609 39901.84766 109622.5781 142325.8438 151145.0313 105266.3125 153217.4531 99128.02344 118488.1641 123290.0938 51151.26172 97416.83594 116586.6094 59103.06641 41258.55859 45839.72656 66607.57031 39604.78516 31317.42188 78701.34375 47271.03516 29301.98438 43636.30078 46632.75 26327.98047 56732.38281 124999.1797 122344.7891 65125.01563 241744.5938 132875.6875 86042.46094 152050.625 110048.1641 95508.08594 90951.71094 118372.3984 59082.42969 N-Acetylputrescine 264935.2813 187444.0625 244185.8438 315368.6875 246807.6719 270688.0938 354273.0625 317756.4375 277341.1563 324232.7813 268565.8125 229945.9063 177764.7344 199182.8594 228316.3125 250815.0781 409869.6563 223836.2344 241161.0625 303785.4688 211286.8438 308263.5938 274298 250043.8594 221957.875 224257 219224.0469 323425.2813 225826.9219 235087.8438 291664.5313 261741.7969 238944.6875 353711.6563 229162.7813 311631.3438 312272.2188 219859.3125 215549.9375 306062.3438 273993.9063 205470.625 286355.0313 303162.3125 214539.7813 281874.4375 274425.7188 183895.1563 263950.0938 240911.1719 245050.9688 284179.5938 280501.375 314969.8125 412753.5313 285895.375 251623.7344 364606.4063 279039.1875 287839.4375 207670.6406 230856.5781 340786.9375 260003.7188 241788.75 200365.1563 268895.4688 285835.125 168746.9531 242898.1563 376714.1563 246405.9688 246916.6719 231061.7813 287055.3125 284834.375 267310.7188 332538.125 348223.6563 212469.125 256538.1719 329946.7188 308279.75 314407.8438 208415.1875 233568.0781 146573.7344 265549.6563 239114.5 178984.9531 328482.9375 249401.3594 191703.125 302530.625 258271.375 215170.5156 N-Acetylvanilalanine 133909.5469 88781.67969 173089.1406 142838.5625 112906.9766 104077.0156 98813.64844 197644.8438 146275.2344 123818.2109 135062.2188 138289.0469 98244.39063 149413.8125 93896.51563 96502.86719 138784.6719 171158.6406 112778.2188 173146.7656 227303.4531 94812.86719 121262.5469 105716.3438 59036.61328 184358.8125 84762.92969 72418.39844 136976.6563 139854.125 95064.63281 88096.95313 160638.6875 96487.72656 103586.5234 229610.0156 119608.0703 131006.9531 188430.3906 137666.6563 125948.2344 100740.1953 129699.0391 104746.9219 158173.9531 91653.98438 128687.0078 117791.9844 302858.5938 109184.6094 125949.9609 114421.2578 185931.8594 205205.1094 117064.5938 86417.57031 183094.7813 144974.3594 94910.58594 163941.4219 139372.3281 140138.9844 217047.5781 108208.7266 158426.4531 171955.4063 77380.39844 167012.2969 78294.10156 82252.98438 102170.9063 117252.7031 102902.6641 143189.1719 150057.9531 139629.3906 159695.8125 134439.9375 99212.20313 150974.5313 146100.375 77611.72656 96843.73438 133606.3438 66918.28906 182402.3125 124483.6875 202725.2188 124589.1094 129976.3516 121102.7813 87556.97656 120175.8672 135812.6094 118648.7266 114743.8672 NADH 18127.96484 23476.76172 51969.20313 19240.18359 15114.84766 36709.21094 19381.86133 8278.515625 39273.21875 12527.48535 12358.5752 24689.44922 119962.3984 84389.14844 273758.1875 163879.9688 149556.8125 324714.7188 648700.5625 331625.2188 549745.3125 229499.8438 428628.6875 251087.1875 36845.67578 13055.51563 53124.89844 24380.60352 18295.73828 38218.60156 13815.72559 15474.53418 37456.74219 24982.68164 14034.09473 22884.69336 172919 216989.1406 130436.5703 280232.3125 308211.8125 429971.9063 172994.125 306979.9063 230178.875 386481.5 1083685.25 295011.5 20327.48633 21640.9082 59941.98828 13064.99023 16910.5293 29424.36719 17990.86914 15850.81934 33402.34766 15367.05566 14557.51465 22720.10352 199242.3594 181886.2813 122482.4063 184800.7031 184303.3438 328809.6875 223648.4063 262545.3125 664120.375 261908.6719 420322.125 267825.25 45053.5625 13326.60449 42370.72266 17190.26953 13905.92871 39985.23438 15488.22656 18124.07227 21306.48633 16097.67578 17143.0957 30205.35938 407172.5625 104938.5938 111668.8984 160358.6094 174679.0625 348356.4688 172529.9375 321663.2813 268802.4375 206240.0938 479970.3125 212303.4375 N-Carbamoyl-L-aspartate 803566.375 1080852.75 667553.5625 335868.3125 567448.3125 227104.5938 113523.1641 169478.9844 85907.96094 44803.58594 89319.6875 62699.73438 39421.51953 66997.92188 65219.17969 104406.1094 98906.02344 77149.39844 96762.92188 146272.2188 100411.5703 149989.1875 177058.5313 81856.55469 691590.375 1048055.5 633848.1875 1260382.875 1312569.625 659685.0625 1002740.688 1516305.875 621301.3125 606263.8125 759852.25 535752.25 63499.20313 70344.96875 78695.92188 88523.55469 92436.72656 74265.0625 97641.16406 126228.8906 70150.95313 173040.9375 144177.3906 90989.09375 683608.625 1304476.25 651811.5 439732.3438 731282.75 420720.5 179940.0156 241738.8594 118983.625 100731.3438 145889.375 73336.08594 55188.48438 67883.52344 94213.23438 73833.64063 93141.10938 80456.22656 98282.84375 167435.3438 66726.91406 96625.28906 132431.0781 98892.69531 775962.0625 911047.875 792813.9375 446319.8125 723273.625 412705.25 257781.6563 309481.0313 183873.1875 153669.625 190446.1406 120372.6094 53863.98047 61439.96484 71563.35156 72151.21094 104439.0391 63951.24609 92664.46875 94895.4375 75019.89844 129157.8281 111895.0078 82247.02344 N-Carbamyl-L-glutamate 212205.8125 185795.2344 270825.625 147597.7969 109625.3203 186970.4063 132047.8125 107020.9531 194914.5 161129.3281 111042.0469 217036.4063 171202.1719 179183.5469 278588.3438 182454.9844 170781.2656 256983.8281 179272.5625 191741.7969 223472.8438 209963.4219 191524.8125 238549.6563 196536.1719 165437.2813 248955.1406 323326.4375 195267.4063 247704.2969 324374 170839.4531 294531.9688 328383.8438 291263.3125 280156.8125 176200.75 190399.8281 223578.4219 195816.5 169574.75 230108.4531 177612.6719 211880.1719 262530.3125 232792.25 206061.2188 263552.0313 260130.1406 153994.8125 255406.3906 133750.9063 110782.7422 224671.3281 167909.7969 116374.3594 174539.4844 146099.3125 118738.5313 192666.9219 115034.2813 193182.4219 329847.5938 177800.0313 195422.7031 259389.2969 210278.8438 165975 208864.1563 161987.5469 172855.7031 229706.4531 260049.5625 194399.25 242566.6094 208211.6406 133188.1563 211583.5781 181858.0938 110423.9531 182520.4844 147386.75 121096.6016 200677.7813 173686.9219 171267.8281 238403.7969 176569.1406 213349.9063 232039.4063 232176.2188 201381.0156 234910.8125 188815.5625 235286.6094 235496.6719 N-D-Glucosylarylamine 297540.125 200917.0625 171791.125 164092.1563 253101.8281 375276.7188 202913.9063 338098.0938 255313.5 298825.5313 194394.0469 262954.4063 161263.9531 313273.4375 196172.0938 255464.7656 192585.6094 243648.3281 241622.1875 228883.0781 228331.1094 332907.6563 157079.875 305933.8125 201117.5625 207161.4531 303609.625 170868.6094 308255.625 254002.2188 134165.9219 190678.4219 296647.5 279672.9375 136021.3906 343631.1563 198314.75 341662.9063 758346.1875 158383.7969 202342.3125 215463.5469 284577.8125 413253.5313 300846.7188 250471.5625 165523.5781 284143.0313 254111.0625 190088.6719 453498.9063 166108.8125 172386.2188 274070.2813 176697.2813 193216.4688 712750.4375 198307.7031 182830.75 281813.5 148070.25 179842.2969 406676 150030.6719 343798.5313 277701.0625 130938.5078 275046.2188 115610.6016 99281.49219 300647.1875 301938.9375 197139.9375 215881.6719 243076.9844 234967.0938 203770.6875 218589.8594 168160.4375 265979.7188 267031.1563 305882.9063 134809.8594 273872.9063 115942.0938 443723 220603.4688 291667.75 295385 228446.9688 365289.3438 216986.7031 227010.2813 181946.2344 104435.9063 173342.875 N-Ethylmaleimide 15094.78613 22160.01758 52689.23438 21882.59961 16736.65039 46478.03516 19636.95898 17000.80469 60708.58594 19905.30078 16915.23242 69778.4375 26041.82227 31463.31445 77415.875 29200.08008 46588.25 71908.72656 24328.75195 18982.10547 51129.43359 45275.52344 37312.65625 83663.14063 20849.54297 18466.42578 41345.86328 20682.86523 19650.625 55011.50781 16643.17773 23966.98633 51751.51953 19102.92383 23591.24609 52284.89453 24347.36719 32789.98828 50993.08594 24220.13672 38513.04297 53336.94922 29882.12305 43076.14453 65492.69531 34694.90234 36888.36719 52915.75391 19058.79883 21047.22266 43257.28125 18625.08984 21451.73633 54709.08594 22865.20313 22748.9043 56039.35156 21673.67578 14818.05762 24012.33203 28890.2207 41282.78516 111152.5156 39745.14844 29943.08594 85197.76563 38638.50391 42713.22266 53319.83594 31401.01953 48120.5 98367.48438 13280 18240.97461 55336.24609 20623.32031 17630.03906 60842.80859 19546.58203 15743.24609 57593.32031 21496.76758 17904.56641 49166.33203 30996.97656 30512.3457 72227.92188 38452.1875 41121.49609 60479.84766 35069.65625 43714.12891 92006.625 38062.23438 37175.04297 79508.54688 Neuraminic acid 34800.42578 31444.04102 53427.69531 46690.71484 36518.51953 67362.16406 44133.53906 30139.44531 70471.45313 40611.14063 31059.97852 69644.89844 43124.28906 51907.94531 74914.59375 53713.33203 50392.10938 69606.54688 44400.69922 58236.51953 68905.39844 52519.36719 57493.26953 72098.96875 37530.62109 43647.28906 74645.61719 36918.24219 36361.45313 54590.69922 30234.58984 46742.20703 75082.5 39201.15625 33608.60156 64208.84766 43738.07422 42937.78125 61759.48047 47920.96875 57039.35156 57689.95313 52267.04297 69913.95313 60960.92188 55334.75781 54753.50781 59479.83984 42047.33984 37179.82422 58866.71094 31097.39453 30328.38281 70596.92188 44978.82422 48035.33984 71167.58594 38888.02734 34432.78516 73553.28906 49417.46484 49443.56641 105575.6094 45277.71094 52235.37109 60199.96094 42880.55078 51748.09766 51381.39844 39936.20313 58674.07031 59459.74609 31250.58203 39134.59375 62523.49219 42305.01953 35497.85547 64882.69531 34742 41566.0625 52020.3125 44961.51953 29464.94141 59772.59766 36647.15234 49093.26563 68444.78906 49854.23438 47730.35156 52175.30078 44796.57422 58436.39063 57726.92188 50571.88672 50715.5625 60054.68359 Nicotinamide 243416.9531 396596.4688 912867.3125 367750.875 218951.4844 266585.75 293383.7813 178953.6406 483191.9688 444275.75 543681.1875 342409 153618.6563 219892.125 808910.3125 207134.75 397987.5 607343.5 201930 255531.875 282250.625 146442.2188 171986.8438 159119.375 83961.875 318496.1875 616562.0625 113217.4844 102556.4766 297343.625 99003.64844 236029.9844 499404.0625 458984.5938 252608.0625 278643.4688 132110.5 336822.9688 617680.75 364151.875 497115.0625 433130.1563 176968.0313 723678 416588.0313 505069.4688 870034.5625 990398.5 197418.3438 416714.5313 646489.0625 175946.4219 248427.2656 225322.0313 278401.7188 251034.8906 280223.5938 324290.8438 321662.3125 299000.0625 144786.1094 612667.625 1170441.875 85200.39844 290124.4063 334240 93353.0625 440998.75 224130.0313 154731.4375 380545.75 353371.1563 185136.5938 248786.5313 391310.6563 256546.1563 342278.4688 313328.2188 346025.5 386044.5 243680.5313 99765.00781 395386.0938 728590.5625 184235.5625 229189.0625 321813.4063 171371.1719 997215.6875 358579.125 395463.7188 464366.9063 323888.1875 237408.9063 410396.0938 215223.4531 Nicotinamide D-ribonucleotide 125274.7813 128089.5078 135821.1406 144570.8594 151275.1875 134856.8438 144011.4844 115420.7422 150025.0313 134231.75 150633.3594 155255.3438 183582.1094 194812.7188 98612.17969 198970.8438 161473.5 103822.1172 214328.0156 158735.875 109961.4219 189458.2188 189426.7031 102599.8125 112731.0234 128665.0547 105906.4531 125422.7266 111729.1797 98079.1875 120648.9453 115055.75 96831.27344 142150.9219 130473.0391 115344.2578 122089.4766 175620.4219 91253.34375 169379.5313 155233.8594 88890.33594 158363.625 146534.4688 118927.4141 175490.2188 128150.3672 97134.49219 146514.2656 116509.8516 106438.5 134366.9688 154579.1719 119353.8047 142489.8125 132753.4844 108264.5781 123875.5078 124051.7344 118528.5625 133313.3438 169556.6094 134175.7656 144495.75 208668.5469 124307.3984 179671.0781 170169.3438 102203.9063 136392.0156 166833.7813 125866.7969 133209.0781 108221.9609 118571.1094 122623.6328 115649.7656 108606.4531 147165.3438 134912.2344 108133.2344 115177.5391 155594.7344 126010.3125 172849.75 172474.9688 94503.5625 159910.4219 189349.8281 118680.7656 218446.4688 186424.6563 101746.4219 185861.2188 177821.6719 120157 Nicotinate D-ribonucleoside 529426.375 734061.875 308920.4688 648964.4375 621377.5625 350246.75 769447.125 546119.0625 377013.2813 682760.8125 489063.1875 385477.1563 187864.3125 325615.9375 198174.3438 251542.5469 258653.875 227105.0938 282247.9688 276774.4063 262692.875 255442.4375 297536.5313 199471.6875 479981.5313 704668.875 338264.8438 587742.5 581004 296624.5 528091.25 532106.875 417664.5 979390.5 578470.3125 498414.5313 351529.1563 504208.1875 405140.4063 277518.2813 299934.75 224793.5313 248095.3906 279468.8438 724971 315591.4375 371366.3438 213685.9219 519390.2188 765427.8125 284597.2188 559142 631802.6875 281632.7813 692612.5625 656400.5 336833.2188 663508.1875 576305 457387.1875 331310.875 458592.0938 527357.125 210022.625 272617.3438 219556.4219 196124.3906 234947.2188 728380.5 189733.0469 326270.375 180398.6563 606995.0625 699131.9375 314780.25 678600.6875 618112.625 318012.125 666679.875 554522.0625 384132.8438 701787.6875 566655.1875 414911.2813 257968.6094 268075.25 163949.4688 233064.8906 231668.9688 195294.8906 257491.4844 303037.5938 248798.4844 250812.7813 331089.4063 225164.4219 N-Methylpelletierine 63527.95703 121972.0156 135207.9375 63740.98047 84888.25 117980.25 84808.875 91914.49219 81623.66406 110037.4063 63830.57031 75763.6875 64916.79688 60338.97266 92168.78906 109986.2266 53635.04297 130196.8828 52213.35938 59383.42188 170510.4219 73895.51563 83389.67188 145686.0625 60066.66797 80701.57813 109851.8594 83237.96875 78683.64844 130916.8125 59805.24609 92974.55469 88229.75781 79350.53125 68084.78906 136016.0156 57144.38281 53521.33984 92758.46094 99479.8125 66049.57031 118226.9766 56665.92188 82399.74219 100982.2578 77526.48438 73891.14063 165479.6719 49347.35156 70810.57813 81805.1875 43523.98047 58944.57422 115476.4375 73969.86719 78403.80469 122872.8047 61366.30469 101827.5703 101913.0625 35476.65625 55973.86719 74324.25 70044.66406 73048.32031 185598.5156 59587.14063 65512.03125 110416.9844 37607.30078 111119.0391 136327.3281 98945.88281 71916.75781 70745.77344 31423.36719 78115.72656 176171.25 49820.58203 57582.73047 145749.4063 61552.8125 84325.64063 114413.2266 45654.33594 54839.85938 114187.2891 72150.96094 106547.1094 66583.85156 82078.76563 73488.70313 152999.1406 98248.52344 78015.38281 129580.4219 N-stearoyl tyrosine 43118.59766 23265.30664 152693.6094 57148.25781 0 126903.2422 36596.17969 0 122965.9922 24693.35156 0 98286.375 109529.1953 252436.3594 176278.75 88176.94531 215347.3281 215901.1875 118846.2969 129790.7109 240317.8281 112680.4297 160904.625 121637.5391 30745.75391 24592.62891 143678.0781 41200.59375 18235.72656 116408 19102.32227 0 120410.7266 26617.82422 0 82549.64844 297586.6563 251658.5781 203434.625 218938.7031 160515.125 216439.6719 158764.3594 248089.6094 151166.2188 151520.3594 134277.9375 137095.8281 58098.14063 0 150851.7656 40801.51563 0 164917.2656 38633.21484 0 120971.2031 50141.67578 0 128112.4609 154321.3438 238036.625 457530.3125 130997.4063 176613.2969 226957.0781 106938.2344 297977.9063 101334.0859 128469.2578 197328.375 170767.875 39443.40625 21939.5332 172559.625 54642.5 0 186162.3125 30741.60547 0 139619.0938 18279.71094 17044.23047 132679.1563 121798.9453 228543.5625 225335.2344 177127.7031 180796.3281 164543.3125 180995.6094 207538.875 153392.3906 201225.9375 152186.6406 118341.2578 O-9Z,12Z-Hexadecadienoyl-R-carnitine 48735.00781 77355.46875 247709.9219 109825.5625 41026.33594 254266.6719 133826.875 168277.0781 334766.875 89947.92969 88291.51563 174593.9219 227113.1719 280768.25 298322.1875 203837.4688 351583.5625 431205.3438 323033.5938 339638.375 309150.0313 211086.875 239084.0938 270828.9688 124273.2891 41538.55078 347633.375 59591.19141 73164.1875 320330.7813 46660.62891 70685.91406 232657.2188 106371.7422 74578.79688 231659.9375 349268.4688 438206.875 595576.125 260839.5938 298060.4375 209960.25 303440.1875 246969.0313 343111.0938 319319.8125 570448.0625 289439.9688 101471.5938 90217.71094 145129.0625 65337.41016 101663.1719 276098.0625 49957.98828 70130.48438 265839.0938 294110.2188 42533.00781 315416.3438 147792.5938 249811.875 369002.7813 209822.8594 511297.7813 472066.3438 190137.0781 354552.0625 342486.625 367925.25 337541.9063 199420.6563 81847.55469 24745.04688 224530.1406 70029.76563 66296.54688 239894.375 231083.0781 82868.32813 196460.3906 142204.7656 0 342693.3125 134750.375 340690.7188 390164.9688 324889.375 317007.25 342903.8438 288957.7813 205593.5938 397725.5313 298889.625 262306.5 235958.6563 O-Butanoylcarnitine 149713.2813 97889.50781 248864.4688 139738.2969 137223.6094 206801.7344 166701.0313 110915.5781 200088.4219 130651.7734 114533.5938 231844.3281 248403.8281 316957.8438 351616.0938 336442.4688 339914.4375 336663.9375 274848.2188 320587.3125 318967.8438 317249.1563 326038.125 297875.4063 133688.5469 106472.5234 214073.7188 148079.9531 111676.2422 234898.1094 128083.3438 102794.6172 232225.2813 136690.8281 132482.2344 208448.6875 320906.375 344050.0313 314390.5625 294517.5 316077.875 369780.4688 338447.8125 342245 372399.6563 354294.6875 377207.4063 264253.0938 166244.6563 106861.4531 194365.2188 120169.5469 91944.55469 29076.17383 141929.5156 124689.1484 220414.4688 140915.7969 114622.7578 235815.4063 247721.75 273502.8438 477531.4063 267599.9688 347369.1875 294541.7188 306181.4063 339925.5625 288308.125 264883.6875 385659.8125 299647.6563 129647.7578 113775.1016 260458.7344 132207 129827.2188 209022.2813 150330.875 100310.0469 195311.5 128894.3828 101688.1563 232472.3906 283054.7813 364129.875 345309.6563 316562.4375 385552.1875 318096.0625 294442 361494.3438 395387.125 313315.2188 314628.0938 298813.625 octulose 8-phosphate 45101.14844 54314.34375 63531.46875 46040.99609 42307.53906 80168.28125 54734.3125 37601.92188 91095.71094 41743.99219 39699.58203 79222.01563 63720.41016 85915.26563 187316.4063 71662.09375 75964.9375 46785.33984 131833.9531 112551.5234 178601.9375 104974.1875 128889.3516 195451.1719 16386.58984 21370.61133 40652.87891 52142.72266 42530.64453 95306.98438 40460.83594 48871.78906 93365 42426.11328 43981.18359 84951.78906 56477.09766 76072.39063 38905.48828 95206.35938 99794.53125 196793.0156 79839.6875 97143.75781 218584.3281 132474.5 148593.3906 213386.4219 48955.25781 42390.17969 68692.89063 30688.19531 48481.8125 79750.67969 43143.23047 47761.42188 98292.33594 44916.25391 40391.23047 85569.54688 66522.03906 84602.1875 271668.9063 51044.99219 86859.05469 116361.6094 69983.72656 122851.3125 153093.8438 102162.2578 127335.8438 205921.4531 26580.24414 29592.67969 39646.08984 60168.04297 49095.62109 76789.375 47227.85938 51117.875 86782.125 39090.34766 52008.12891 83850.32813 75247.27344 83736.875 154876.6875 60772.92969 85183.32813 111064.375 90650.24219 101905.2031 249403.9531 110395.7109 142005.7656 222792.4688 Octylamine 260206.6563 291824.375 293324.75 253825.75 245792.1406 295679.4063 292197.375 277240.8125 281465.4375 240862.6719 277870.5313 308206.4063 214246.4531 261525.5469 312407.2188 258342.6719 307652.1563 277803.75 255817.0156 250489.3594 342450.6563 241160.625 273298.2813 327588.4375 213113.2813 257883.5625 312537.3125 247999.125 256136.7656 304415.75 207560.8906 292990.4375 326975.375 261420.5781 284762.0625 312329.9688 260445.2813 273213.0625 283403.375 261629.4844 276947.1875 306858.0313 247839.5469 270743.125 284193.9375 271560.5313 328862.1875 275270.0938 277961.875 274522.5625 319294.2188 224012.2188 286410.4688 311400.6875 243935.9219 276943.5313 296443.0313 217265.5781 249598.0781 292364.9063 234558.3125 297032.2188 300224.0313 224294.375 286557.1875 314275.7813 223281.4531 305273.375 292057.2813 226709.4375 268779.1875 296744.25 260734.0156 277030.7188 334104.7813 214296.3438 270614.4063 314163.3125 256524.7344 298535.6875 318281.2813 215102.3594 270723.9375 334788.4688 209541.7813 285194.375 329987.2188 310108.3438 319436.4063 285265.0625 266812.4063 258261.3125 291099.875 270557.2813 303241.7188 297291.625 O-Palmitoyl-R-carnitine 35680.89063 33524.07422 115852.7422 46157.83203 29248.47656 129145.625 53694.42578 37592.18359 104734.8125 46139.67188 32337.83398 100757.8047 68246.00781 109025.5625 186505.9375 95441.30469 119896.0547 167623.9219 64533.02734 101319.9141 151713.2969 103842.0625 114645.5391 135900.625 28783.71484 33129.52734 109625.1484 46874.51563 35131.79688 111603.6328 38956.04688 26274.50586 110770.4609 43801.00781 30436.73438 98109.59375 91057.58594 99586.76563 163661.6875 87788.10156 120791.9297 186073.7344 100552.5938 110313.875 157322.8594 103993.5859 106963.0469 121947.5234 42130.71875 37334.91797 109844.6719 34175.54688 36969.92969 112465.0703 40416.96094 39201.76953 105894.1953 38713.87109 33108.49219 98797.05469 65188.63281 125421.8594 281466.9063 69605.25 117680.7656 164163.9688 69565.10156 129864.6172 118596.0938 81137.35938 116813.5078 114109.9375 41254.56641 32369.69531 108700.0859 40706.87891 36230.53906 116845.7266 49068.32813 29009.34961 107738.7656 27389.07031 33094.98828 115771.1719 65561.48438 110233.8047 228641.875 98032.04688 131198.1719 144724.8281 0 119936.3438 144360.875 107258.4922 98839.58594 141665.2188 Ophthalmicacid 27740.38477 18491.7832 17404.07617 35504.37109 21689.95117 11061.50781 26726.07813 19461.00195 9091.0625 30189.38086 20107.96484 10011.0918 89596.30469 89416.24219 47734.46875 82086.38281 69547.67969 27480.40625 70751.07813 108502.375 29894.37109 75452.0625 70110.03125 19561.79492 31730.37109 21048.5332 16028.58398 41625.22656 16385.70508 16649.43359 29580.69141 18896.53125 18902.29492 31616.94727 24904.55469 17377.16211 67885.42188 100132.0547 35663.46875 69715.85156 84322.03125 34211 70093.50781 72935.96094 21360.61328 56988.84375 77078.40625 18949.26758 29718.80469 24092.67188 15891.04297 30152.17578 23693.0332 16840.58008 30355.36719 30410.67969 15965.36719 26725.27344 24861.52344 19016.21484 64406.57813 96706.11719 79153.35156 82321.67969 82220.39063 26548.67188 54180.5 69994.60156 25920.95313 54967.16016 65081.21484 21088.78711 27582.27734 23370.36328 16537.45508 35557.69922 19858.3418 20460.41016 27826.61914 20839.06445 19328.5332 24677.88477 24855.28711 14456.25977 95330.41406 75561.20313 40345.18359 80781.80469 102314.6797 22896.68164 66648.71094 72181.89063 28135.57031 53669.02344 68989.64844 23215.35547 Orotate 48368.30859 33795.90234 38337.97656 37385.99609 30114.64063 58569.02734 28990.23828 33624.64063 43102.51953 34800.87891 44726.08984 80162.04688 53124.54297 56528.53516 85068.16406 56290.10938 57795.67188 57850.78906 81996.21094 74021.00781 79262.51563 48386.98438 72921.49219 66191.82031 32216.18359 30847.60352 70966.99219 64539.07813 19919.49609 42280.80078 49685.27734 38929.08203 40311.23438 24779.60742 49515.44531 59657.39844 43173.84375 57168.5 81806.32031 48508.32031 88781.23438 73072.625 43831.14844 47592.69141 47818.98047 70113.03125 76928.3125 46822.26172 46026.03906 45441.96484 54502.14844 41732.02734 29995.64453 63636.09766 44520.58203 39139.28125 44083.75391 47437.30469 26824.86719 56793.79297 40553.80859 70522.21094 104592.8984 50752.64453 128228 90369.13281 37107.16016 51854.55469 73719.38281 58487.42578 60754.28516 47182.01953 35750.30469 35547.62891 51670.87109 52315.38281 34981.33984 60456.53516 34782.51563 38927.69922 49845.85938 50261.22266 44954.13672 48695.48438 67282.23438 61002.55469 73585.72656 71121.01563 54338.15625 66310.89844 64711.30469 64680.29688 72559 53715.14063 67832.49219 58599.6875 Otonecine 147246.7188 129940.1172 222717.6406 123335.8984 154453.9531 235583.6563 152445.9063 128598.9766 192177.0625 124075.5547 131480.7813 197028.7031 182944.9531 227548.3906 344719.8438 362465.6875 339627.0313 236549.4063 190479.4063 318532.5938 237329.4688 222961.9063 249635.5469 184953.4375 96854.82031 115751.7188 205470.4531 136421.3594 117272.1563 156888.7031 116596.3594 145457.5625 180564.25 152851.4375 133229.875 212233.1875 381289.9688 357331.3125 212533.6719 193554.4063 266625.6563 250992.4375 202702.1563 251731.9063 222295.6719 225814.8906 354613.1563 285602.7813 125562.0703 128226.5469 171449.0469 122945.7031 104192.1641 176752.8281 139077.625 112502.7109 196317.6719 155206.9219 126196.8594 176307.2188 145039.7656 219926.8125 386263.6875 165579.6563 237249.4375 232878.8125 186043.7969 275023.5625 231316.0625 199865.4375 263686.8125 261132.0938 120278.3906 142435.3594 168834.3125 122531.875 115501.4766 235701.2969 129625.8594 156367.3125 160221.0313 107618.4375 155347.6406 181252.2031 169451.875 197429.375 240834.0781 249282.5 253347.4844 209859.4531 260532.2969 255039.0156 228297.2344 227837.5156 232216.2031 227035.3906 Ovothiol disulfide 47044.59766 59919.41797 107389.9688 40452.32031 34337.85547 161818.3906 55357.50391 24029.43555 109549.9688 38831.90625 63373.01953 147612.7969 47761.55469 53514.51563 148681.0469 70930.91406 51162.06641 178910.4531 49382.71094 85913.44531 167164.0313 98757.75781 130191.6563 131939.6094 65411.89063 48353.46875 150390.6875 53495.30859 33135.68359 178908.8125 48738.83984 52340.37109 138871.3125 69610.27344 59077.77734 170017.3438 84649.78906 84810.0625 161550.75 87545.23438 74817.54688 151770.2344 75536.28906 63596.51563 132256.8281 94668.5625 108713.2188 163484.0313 43497.4375 57821.84375 138928.2344 47535.94531 46007.44141 133721.9375 49062.96094 76588.83594 129750.1719 59372.33203 57236.76563 121661.3203 66192.17969 75059.72656 152844.1875 68488.16406 66367.08594 198322.1406 52945.76953 103803.2266 163304.8906 101957.3516 92400.64063 155877.3281 52302.69141 33074.24609 136545.3906 49968.87109 43351.95703 136825.4688 64903.28906 45243.22266 118357.7656 51643.94922 68672.59375 137602.2031 76574.64063 92266.22656 152297.1563 56514.21484 62606.10547 161962.5938 54969.38281 90496.57813 147763.2969 75772.40625 88921.08594 161119.7969 Pantothenate 75195.44531 74182.95313 69601.09375 57655.19141 89373.75781 92839.20313 114759.2344 50965.21875 98310.64844 80829.45313 75808.09375 89895.11719 44896.82813 90871.85156 80802.45313 79246.48438 93907.125 97514.4375 91871.92188 105452.1797 118004.3438 112946.0078 133183.5625 118696.4766 63706.87891 67233.17188 72309.46875 57214.67578 71022.59375 94233.78125 69910.89844 44440.85547 90922.71875 95111.3125 95666.67188 105044.7813 78226.21875 78413.21875 108849.5078 69260.82813 117549.5 88533.28125 105331.2969 98200.01563 103510.0469 105899.5234 157418.0938 104968.9609 73447.58594 62161.38672 66196.50781 70008.82031 74971.92188 84362.86719 107559.0859 93306.82031 102057.9219 95677.88281 71398.75781 90757.75781 60677.91797 81219.22656 151977.3125 64404.69531 110397.0391 99461.10938 75779.89844 118273.8516 109530.0781 120315.3984 146631.375 194158.1875 72879.75781 99952.97656 66522.38281 85064.64063 85725.02344 86819.64844 98284.57813 75220.13281 76017.83594 111448.3047 62708.60156 106484.3203 51861.8125 101874.75 89980.39844 71428.625 88323.38281 90413.25781 95202.17969 124080.3828 117420.5547 91919.67969 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157643.5625 110174.9063 188076.7188 119375.8203 93577.14844 194004.7813 155289.4063 135213.1406 244176.7188 143936.1094 108207.375 328974.3125 123847.6484 111973.2109 243646.6563 121698.1172 125948.2031 74829.42188 153193.125 124028.8359 132924.7656 170966.9219 169361.9219 100445.2266 221448.7813 80140.125 165433.3438 149750.2656 102534.3281 171511.2031 166659.7656 153246.8125 166738.375 101294.7188 248517.625 143297.7813 102738.8984 147319.0313 187699.3281 159389.6875 PC(O-32:0) 105758.5391 67814.84375 137134.9688 132634.1719 104050.8438 157504.0625 134527.5156 165334.2813 165807.7188 151922.4375 107455.3281 196379.7344 85635.82813 131392.1875 131690.9063 137483.7031 156625.7969 147630.9531 130843.25 137794.4688 186137.7188 100823.5313 159274.5781 94898.5 78512.19531 111881.0156 141951.25 110633.2969 120088.1484 179836.8125 76602 175806.5469 117583 128066.2734 80978.67969 187867.4063 149574.3281 130069.3281 119187.0625 132435.5469 227323.4688 212148.1875 184277.4063 203528.3438 131165.4219 139091.1875 211779.1406 130176.1563 133362.1094 220915.125 133522.9375 138548.3594 90304.70313 121004.4063 100513.3828 159851.7656 169109.8281 117531.9609 149736.5625 137404.1406 134109.1563 166247.7344 121806.75 68709.19531 182645.4688 145135.2188 83637.60938 216145.4375 127471.6563 122025.8672 187499.6094 187268.375 84711.28906 158809.8594 104696.2031 96577.19531 115910.7109 163604.1875 116509.3438 127758.0938 165127.6406 62159.56641 172296.5938 116777.2422 111517.0078 163072.2188 185103.75 121536.7422 90266.13281 97947.35156 166218.3906 109938.0156 135403.4219 122468.9688 131242.9688 162153.0625 PC(P-34:0) 266444.4688 277088.8438 433957.625 331218.9375 305396.1875 540772.0625 369919.4688 535823.9375 612220.0625 421571.625 281781.4375 487514.0313 245354.5625 275826.875 430090 330150.4375 478059.5625 399535.6563 448473.0625 304989.3125 539608.25 218695.1094 359251.125 408678.4375 259682.1719 397645.625 290591.9688 256531.3906 357514.4375 574554.5 235459.4063 401919.4063 393062.9688 369885.7813 324227.0938 527202.6875 404890.5938 346015.1563 435085.2188 373902.0938 477868.75 501785.4688 380511.0313 486432.75 381610.1875 352694.0625 430607.0938 413562.1563 417398.25 486640.0625 384643.4063 420164.7813 339548 412365.7813 204811.1406 513034.7188 514885.4063 330445.2813 446726.375 416799.9063 299524.9063 331609.0313 460606.9688 223554.8438 512055.9688 460402.3438 254214.7656 558095.75 484618.4375 282196.75 499414.5 197852.4375 280122.0313 450018.5313 319021.3438 227740.8125 361523 533282.875 283133.25 329899 512875.2188 201828.125 278161.9063 432922.5625 212157.4375 340910.625 634167.3125 337566.8125 572267.625 400172.9063 711458.375 573023.3125 332143.4375 434883 373958.875 458572.875 PC(P-36:1) 132944.8281 234459.5313 159083.4688 131262.0156 205225.0313 175367.4688 164992.9219 197434.2188 164042.8906 161015.9844 159405.5781 146323.3125 107389.9922 116875.0703 171770.7188 140892.9219 188877.5313 148801.4375 178359.6406 247519.7813 172505.7656 233319.4688 170104.625 141670.9219 82874.08594 157357.3281 162712.75 116521.2344 137673.1563 221227.75 68023.27344 144054.1563 140532.2188 180976.9219 117940.9609 184461.9219 191332.9531 156312.7344 178277.1563 177921.7344 175090 172689.0938 142016.9844 333782.5 146250.3125 188002.0625 172096.7188 125207.375 209873.4844 154776.625 184658.4531 157334.6406 140320.375 174454.2656 125472.2969 202504.3125 220767.625 145270.875 87512.23438 185247.6406 134148.4688 161056.1406 173337.1094 114353.5391 172964.7031 141416.7969 86222.32031 310557.0313 189385.7188 124805.0234 113877.5391 144645.0313 101652.2578 132611.4063 123657.3594 106437.0313 181269.0781 177186.6875 122000.3359 202975.8906 244696.7969 84382.1875 151916.7188 201834.0781 98470.1875 158454.8438 208943.7188 154023.625 148920.9063 134875.0469 191091.4063 193185.7188 94038.35156 186003.9531 129808.6641 193185.0938 PC(P-36:4) 96025.67969 137621.25 140424.0938 168096.7969 133894.2031 172865.0469 154927.4844 141681.6719 186940.4063 124924.8438 107805.9219 131812.2813 135304.1406 241930 147699.1563 170462.7344 139738.2344 114444.7891 150419.875 210094.3438 214584.5313 207530.6563 190024.1719 155841.125 86917.91406 123206.0938 143197.4375 117388.25 133588.5156 135713.8594 101225.1797 190341.7031 127838.3906 139873.9063 125411.1406 147444.7656 146267.25 251053.0625 115082.3828 159441.8906 240275.9688 217551.4063 199805.2656 306874.0313 172158.8125 197383.1563 190855.3281 197588.9844 183061.2969 150749.5313 146448.1094 86943.19531 118385.5938 106233.6484 119016.2109 201160.7344 236194.1875 121894.7266 114007.7891 174648.6406 139874 194864.2813 139070.625 98799.24219 148875.7969 149690.5313 147410.0313 331251.1875 168996.1875 123988.5781 137110.9688 125006.4141 185293.5156 124375.2109 158584.6563 125828.0703 99911.875 114006.2656 221002.7969 153347.0625 170112.7813 109792.9766 150151.2344 165198.2969 83468.08594 149659.9844 140858 160323.6406 155856.8281 144115.8906 206418.3125 235265 110526.1484 230681.2969 255519.2344 157407.4531 PC(P-38:3) 179413.3125 276089.625 214049.6094 172252 200931.5 239328.25 275248.2813 253808.4844 320980.2188 123352.25 108203.4453 186474.0781 225099.125 180880.4844 265079.3125 261474.6406 289778.2813 238688.7656 278704.125 232634.0781 386265.4688 162831.375 264100.125 186165.0938 121198.9844 111427.0625 179043.1719 148345.875 208484.1719 267540.4063 112456.4141 240039.6094 153646.1563 251011.1875 218560.75 302182.1563 317133.5938 222237.2344 280452.2188 245913.875 249385.0781 257469.8281 406517.8125 360589.3125 207244.5156 216107.3906 280497.75 205848.1406 229633.1406 235428.4219 250601.3438 157400.5781 192626 198840.1719 204558.6563 231058.5 223861.5156 169152.7188 264202.875 231416.1719 177727.0469 221063.0313 293607.1563 195031.8594 274015.5313 304540.25 132072.2188 542363.1875 245509.8906 207073.2031 201740.3594 223480.6875 156407.6094 225170.375 209669.4844 134575.0469 249950.9063 274499.6563 181906.9375 289759.4063 332845.2813 108807.0703 233388.0156 168230.4844 174483.4531 153888.1875 360714.3125 259829.4375 198798.9375 196407.7344 415429.9063 351908.1563 186244.0156 303195.1875 356143.25 218662.1406 PC(P-40:5) 45503.49219 36108.94922 79560.98438 63568.47656 43268.91016 81446.19531 96763.875 51725.62891 105403.8203 66728.61719 48735.64453 82087.75781 64438.08203 103418.3828 98417.10156 89482.75 147233.6094 113013.0859 69255.91406 121908.4141 96453.66406 55158.50391 55192.73047 84076.72656 28534.16406 66628.63281 69482.79688 52656.21875 49426.13281 100026.2891 51748.69141 56303.42969 60647.75781 52262.96875 39515.05859 114856.1797 99099.00781 77191.70313 92476.64063 84688.03125 117335.1719 113044.3594 132151.1563 80778.46094 74011.16406 67642.98438 159344.7344 80116.32031 94210.32031 74418.88281 90052.79688 88715.04688 0 76442.67188 120286.1016 138136.1406 93741.78125 49500.79297 0 102469.25 64757.91797 65527.36328 144891.9219 54286.04688 85734.91406 72201.45313 57373.17188 192786.5469 72534.47656 41415.46094 75898.15625 76641.89063 74982.97656 42697.86328 83124.82813 61405.35938 79289.46094 98867.60156 37191.66797 49494.15234 97821.1875 27991.33594 105472.7422 78734.85156 62255.87891 119548.2266 140691.0156 95834.77344 123768.5234 66086.55469 143184.3906 74762.26563 69045.30469 81747.80469 101221.6484 97393.375 PE(30:0) 196833.5 214028.1875 225813.875 186759.9531 161954.4688 217561.875 219470.1094 214302.2969 207146.5156 209227.9844 205337.6094 245185.8594 200427.2969 209136.0156 227773 200181.7031 235488.2188 192431.6094 205478.6563 197887.9219 225345.3906 199012.8125 211037.5156 219289.7969 186572.1563 210872.1406 209781.625 188486.1719 190508.125 207500.2344 184935.0781 199188.1719 216204.6875 206575.9063 246672.5625 210864.4375 199151.2656 202236.0313 236877.0938 230061.8125 200214.375 179806.0469 184877.3906 162998.2344 140884.4844 157948.75 193239.5781 170759.0313 203243.5938 204010.4219 221686.7656 179925.9531 207224.0781 209255.7813 221121.75 184767.4063 195124.5156 162098.75 161157.2344 203568.6563 180994.9375 187886.4844 199964.9688 185384.5938 216296.9531 239220.3594 143856.0313 181939.4063 140732.5156 188766.7344 157082.8906 170254.125 203883.1094 191464.2344 212810.5156 205125.1875 190988.1094 226027.3281 222346.4844 212587.8906 201020.6094 213832.3281 192624.2188 214975.7344 155219.6875 159903.1563 149243.2813 216567.3438 205111.125 200832.7188 214859.3125 199849.7031 225024.9219 209690.3594 229639.4063 220071.0469 PE(32:0) 208347.6563 254554.4844 303202.2813 285832.125 311532.125 389631.6875 307921.375 354180.7188 386020 248149.5 282566.7188 417087.8125 152677.3125 276275.4063 193596.0938 145771.4375 253888.4219 260261.7031 126530.3203 236495.2031 260782.4844 229821.6875 231142.6563 435903.875 153011.0156 265580 342154.5938 207423.1563 298494.7188 340607.5313 187199.6563 251443.4375 379895.7813 241358.3281 231559.3438 424793.2188 232902.0938 206165.5313 280835.7188 205636.6563 217790.375 305451.2813 214232.2031 285485.7813 387640 221431.7656 196829.8281 330382.1563 188505.4844 239840.25 353241.125 171094.9531 274931.8438 312615.7188 230800.7344 266269.9688 402662 220481.3438 256301.7344 351731.3125 87309.54688 198946.1406 251905.8906 163276.75 243718.1875 255754.3125 171292.7656 291705.5625 220149.2813 194788.9531 263201.7188 278335.5938 258162.7344 348646.0313 334172 229630.7188 250005.1563 338696.0313 309926.4688 298513.9063 337135.8125 195051.1094 303331.9063 371261.6875 108622.7891 208314.125 288780.625 226329.9531 227027.0156 227158.2188 260166.9688 213569.9531 325686.8438 224946.7344 228714.8906 340614.25 PE(32:1) 236312.3906 286759.375 267229.25 305281.9375 308354.4063 323217.75 310348.75 339011 289803.4063 245940.7188 302478.4375 405619.8125 189401.7031 307095.8125 195833.0313 202803.9844 299609.0313 278448.75 139960.5 296768.3438 253175.3281 237488.0781 285785.1563 393761.4375 153036.6406 276277.1875 299435.4375 211706.75 310496.6563 326834.5 197698.2656 246525.5 324117.8125 321890 305327.1875 325323.4688 294470.625 270009.7813 282210.5 219075.1406 260790.5313 288856.3438 250467.5625 287373.5625 355999.0938 283260.1875 248428.0313 310938.7813 201562.5156 322827.8438 279984.6875 174029.0781 299892.5313 293706.2188 235702.625 284626.5 357508.6875 230124.6719 257766.6094 327821.5938 108649.3984 229203.2344 319095.4063 198265.0156 272409.3125 258288.0313 243023.2031 353597.5625 227960.6875 250423.2031 307031.7188 223536.9375 298952.625 362123.0625 265023.2813 269310.5313 291583.0625 319916.25 322507.75 286732.3438 304786.8438 206714.5 281464.8125 297231.5 142926.9063 262787.5938 261440.8281 257988.4688 303625.7813 220115.9688 278272.1563 250970.6563 311192.3438 288054.75 259833.9844 319457.4375 PE(34:2) 503566.4375 544653.5625 334451.2813 475497.5313 472783.5625 210254.0313 451055.4375 454211.875 301411.4375 455196.9688 480863 310549.6563 259766.4063 382799.2813 145927.1563 270647.375 231367.5781 181135.8906 190893.9844 435996.9375 200010.9375 331640.5625 292256.4688 206505.5313 358458.7813 401203.0625 318529.875 499781.7188 426857.5625 333843.3438 493493.0313 450356.0938 359155.9688 535246 545587.5 329893.3125 339028.25 344498 191291.5469 301299.0313 281169.0313 171528.75 359727.8438 359927.7813 178465.2969 318355.0938 383053.0313 209480.25 577360.3125 407614.3125 282887 423935.9375 376505.1563 349147.9688 488201.375 443419.2813 429394.9688 527988.0625 425872.25 274111.1563 218188.3281 302483.5 214574.7656 268983.8438 395690.2813 172071.9375 233477.6875 427838.9375 169934.5781 289654.5625 345276.1875 152743.7031 499056.1875 530075.1875 309173.1875 501260.5625 447142.1875 335009.9375 592244.6875 452366.6875 303205.2813 594120.1875 496167.5938 372903 241579.9219 394554.3438 151034.2031 343558.25 324709.2813 178758.9688 313522.875 368211.7813 159769.0781 351386.4063 296839.75 187529.25 PE(36:1) 385366.1875 347888.9688 390048.1563 331398.8125 388009.5625 339299.2813 463574.125 389230.75 450237.75 500037.375 439625.8438 488065.2188 171135.6875 175444.9531 184531.9531 205268.625 266002.5625 189214.5469 143885.5313 181849.875 241352.7031 271092.9688 204113.9375 194048.75 325481.5625 349616.6563 391810.4063 385659.875 402139.4375 421516.1563 446856.5938 341782.125 558787.5 654409.8125 504509.7188 453222.3125 210160.8438 206364.5781 186557.9375 215277.9531 223006.7656 256742.9688 279876.625 226382.2344 225645.0156 228916.125 177485.2188 197997.625 412705.25 335667.3125 386290.9063 382887.375 315226.125 338324.0625 507610.1563 411248.5938 436575.75 370301.25 417610.75 346298.8438 147432.6563 234484.9219 127977.0703 147312.8281 218066.8281 236603.8906 164381.7031 258451.5469 192374.0313 203268.8594 191223.4219 194920.9844 389021.9063 372063.2813 365551.8125 403431.5 371811.3438 456927.75 523222.0625 349061.625 448746.0625 445619.0938 410056.4063 537916.75 148569.875 222118.4844 222241.3906 238216.4531 282144.1875 247321.7969 222107.2188 256296.8594 217394.7188 224064.8906 199416.9531 233043.6563 PC(33:1) 198710.9063 180200.5 208362.9531 218672.2031 225146.6563 147334.6875 253533.3594 240936.4688 249203.3594 259052.5625 246909.5156 208596.9688 86973.00781 127607.5781 101528.1641 137835.3438 135532.2813 143401.375 62444.84766 120012.3125 110782.7578 134393.7969 119622.4766 106120.1641 195270.625 181874.8594 246726.1094 202898.9531 250550.8125 225238.3125 281576.4375 250745.6094 257360.3125 458533.7813 307060.0625 331946.0938 125877.6484 137504.25 113432.5 139112.8438 126946.9453 118228.7109 134250.2656 123327.1719 124703.4297 141973.6719 122038.2031 107083.1563 260987.9219 185336.2813 226121.1406 156234.9063 210705.1406 265295.875 280630.125 228312.9844 246639.5938 307407.5313 217087.2813 272047.625 78452.125 137470.6719 59992.45703 100718.3438 143089.3125 127680.2266 105054.6797 148996.9063 97173.48438 122453.8125 125775.4609 111653.0938 220709.4688 226117.3125 197830.6563 220748.4531 234342.4531 234171.2969 300618.3125 233251.1563 212259.7656 158369.2969 169922.5625 262498.5 80447.45313 146217.3125 131889.0625 124074.5547 137131.0469 108771.4844 125050.5078 128709.4141 133698.375 130179.3516 122126.6641 123323.4063 PE(36:2) 172347.6094 315607.5 193314.2031 320339.8125 298765.75 300448.2813 343058.0625 214542.5781 257896.0313 263714.7813 379902.9688 289083.1875 212875.4688 313035.6563 188451.0313 266282.4688 308951.7188 255075.6406 185044.3125 341457.9063 234468.9688 314064.875 361924.5625 222311.2344 259618.25 373641.1563 278776.4688 371520.4375 345279.5313 330507.375 366183.7188 314662.6875 341829.5938 558817.4375 432489.6563 404049.2188 197854.7656 146100.5313 121925.7813 301673.0938 270414.25 233267.0469 266654.625 307052.0938 225721.4219 301663.875 264958.2188 215346.3438 370601.0313 336986.4688 329729.5313 284961.5625 322776.0313 319268.6875 369513.125 385978.8438 299935.4688 397432.6563 354799.625 350444.9375 175816 325493.125 200615.3281 247370.9844 310750.6875 238321.9063 210042.9531 287567 180388.6094 199483.5 285887.7813 205038.8125 327834.5 348982.625 274327.875 308782.9063 346134.5625 334042.2188 444894.6563 363336.7188 329309.2188 368245.0938 345075.9375 462513.25 176588.7969 313700.8438 226752.4219 293126.0313 315711.1563 230281.8438 318980.25 288571.7188 228526.9844 287093.2813 284790.0625 224856.2656 PC(33:3) 144583.1094 159269.9375 147337.3594 217345.0938 143513.1719 130666.6719 185362.375 176580.9844 151592.6406 134585.875 143726.5781 143336.3906 110657.8984 160866.9688 90953.67969 146318.7344 158525.9531 81082.38281 73654.97656 153397.4688 81909.80469 160480.5625 174716.625 86121.78906 143055.0781 178231.3281 115048.4531 177024.75 186699.7656 125168.3906 109595.2031 161916.4844 158536.0781 243397.0313 210511.5313 188009.9688 141259.625 162607.6094 92517.21875 134081.7031 141335.7344 96249.58594 168849.5938 145234.8281 94771.70313 152312.5938 137472.6406 109166.9453 142706.4844 178945.1563 137745.2813 151180.4531 168191.0156 139364.625 177896.1719 170176.7188 121571.5313 212163.6875 194548.6406 133057.7969 94427 144617.8594 106979.5703 119728.1094 147826.875 86558.96875 164538.6563 151793.7188 66242.03125 136110.8594 157992.5469 89964.73438 146523.9844 157181.9375 146670.7656 162770.6875 185094.7656 153660.0469 113965.3125 172529.3281 141827.5 177576.4531 184644.1875 160786.7969 103066.25 162865.9688 122278.9297 146562.7813 154367.625 87968.97656 139916.8125 158528.6406 99327.78125 142479.1094 165460.9688 112861.6094 PE(36:4) 144286.0781 122409.1875 142905 297786.8125 249758.5 315864.4688 237038.75 181861.8438 137578.6719 257402.8906 257392.375 351437.375 111514.1484 175514.8594 134461.4688 133291.4531 153307.7344 146910 110197.7656 92385.95313 152206.0625 226620.4844 241264.1406 144506.5156 116287.1172 165274.2813 160202.4375 150087.0469 132632.2031 169678.125 233491.2188 287590.2188 345858.0938 223618.3438 201437.3906 167158.7969 232359.2656 267951.3438 227782.625 122082.8984 127021.5469 289526.5625 120100.25 139787.8594 127682.2578 248059.6406 218111.6094 275370.375 121053.4844 155528.3594 129516.7578 126840.9297 163536.7969 217743.5 223086.9219 219140.2188 313401.6563 146280.1406 140329.8125 178390.6719 157743.8594 235506.6563 230721.75 103886.7656 169901.3281 261392.8281 117452.2031 180011.125 115318.6094 124159.7891 191375.9844 219648.9375 120763.9063 100331.0703 168591.2656 115650.1797 266850.3125 170091.6875 225016.3906 207305.0781 162665.0781 211514.9844 211178.6719 229994.7969 73624.03906 146072.8438 190729.1406 289125.8125 188151.5469 155700.4375 138131.2813 142525.2344 145290.4531 252167.8125 260633.6094 282461.875 PE(36:5) 267869.0625 306147.4375 350065.9375 358544.4063 326580.5625 313486.625 276151.7188 339476.3438 374312.2188 402586.3125 340445.8438 282775.4375 187398.5156 208083.9219 241842.5625 204337.3906 266085.3438 253649.6719 174859.3594 210226.9063 321465.5938 176301.0938 284187.5 230585.4844 252186.4375 352989.625 365932.8125 419724.9688 457369.3438 364397.8125 266953.4063 472883.6875 395159.6875 344214.8438 340274 347957.3438 288994.0938 229723.7969 326877.4688 242182.5938 260354.4063 334606.4688 230520.7813 237391.2344 247400.5938 262437.9688 239471.6094 213871.5625 378791.125 438771.2813 392858.375 381416.4688 327099.5 358086.7188 348714.3125 508817.5 329540.6875 314377.1875 313784.8125 440142.8125 176607.1563 229866.0781 296666.5625 151409.0938 268321.3438 273409.75 158597.8125 294576.5 252212.1563 149362.6875 242548.3438 204450.25 336221.9375 333872.4063 352836.25 312336.3125 478594.5938 406781 449965.8125 333709.5938 402229.8125 275711.3125 353553.7813 440767.7188 151419.5625 257536.0469 310890.4063 236218.5313 334076.4375 234138.4531 213303.125 307590.1563 260475.0625 246786.1875 270406.6875 236529.1875 PE(38:1) 357159.9688 237590.5313 236213.875 275025.1875 256558.1406 385709.8125 312336.2188 252031.0156 280250.5313 310197.7188 251531.6875 365374.7813 99285.11719 150669.4844 114380.0547 93901.69531 141184.7969 147140.3125 95026.54688 199721.6094 148848.2656 157350.5781 156974.8125 168919.4531 202609.7188 244232.7344 262168.0625 310764.3125 260428.9844 323934.9375 214725.6875 236154.8594 358592.1875 530880.125 266267.9375 505750.9063 154886.0313 217160.4063 135619.8281 139505.1875 187833.6094 175695.2656 154190.3438 201778.0938 123321.7891 108743.8047 137215.5938 133440.5938 323797.5938 262464.8438 317933.9063 299478.1563 293667.5313 336758.7188 291614.4688 294019.625 680916 338060.1875 328906.6875 312936.5 86345.4375 166383.9063 116735.4844 102253.3672 185653.8594 140538 102394.2188 140995.9844 106505.0469 115602.8125 140498.1094 176259.8125 233459.2344 279854.4688 363853.9375 283293.75 254913.25 363711.5313 361055.6563 278740.3438 278924.2813 366195.7813 303182.0625 345202.5625 93042.50781 211078.5313 119708.8047 146742.7344 147862.1719 120759.75 132266.8594 145182.7188 144046.7969 141782.7188 143611.8438 140688.8906 PC(35:1) 100173.2813 89728.17969 121252.7734 152137.8125 111728.1406 113643.3828 140959.4375 132649.625 140851.9063 113807.4297 98562.26563 113625.0703 46072.46484 53842.28906 45557.71875 56378.59766 75597.72656 47590.89453 36343.34375 55542.03125 53065.32422 82433.44531 56271.73828 49354.41797 77145.24219 89710.53125 105913.7656 140682.7813 120672.375 119198.3984 212821.9375 123857.9297 215038.75 347989.9063 182833.2031 226323.8594 59869.53125 86371.55469 48206.64844 66123.08594 59130.26953 67899.23438 81478.625 74562.77344 64761.75781 70903.46094 63405.07031 32861.77344 144245.625 103360.4922 121621.0781 100964.7344 120651.3359 152133.9844 130050.8828 109255.4453 138399.125 133718.5469 108351.5469 130855.9844 30494.92188 61350.47656 75626.375 42465.69141 62172.01563 53184.08203 33802.82813 79429.82813 50238.12891 54693.79688 74312.14063 48032.44141 125386.3438 84205.36719 112406.25 121328.2344 111403.5 131058.3203 153888.3594 114578 118564.1406 108200.0234 129375.7656 135976.4688 29232 72676.90625 55811.50391 69052.03906 77186.74219 46781.48828 61876.63672 66027.77344 64870.34375 75732.75 54889.01563 54325.17188 PE(38:2) 202239.9688 131072.8281 147759.7656 171978.3438 193118.8438 275181.25 210908.0625 169443.1406 146851.25 171296.8906 182940.7031 166878.375 104438.8672 164251.6094 104346.375 111078.0469 181763.5313 143457.9375 91120.65625 213757.3125 175923.3125 156351.4688 195994.2969 152618.9531 131603.9375 213879.8438 139600.7656 235055.2813 167053.0313 200553.6719 210777.625 173208.7188 186834.2969 270548.875 254029.625 259177.125 131697.8906 157711.4688 162849.2813 138850.2031 206793.7969 139502.1719 164852.8594 224607 146197.7656 125915.4375 164945.3438 106499.0938 237326.8438 161806.1406 175751.9688 158095.9219 163228.4219 190675.75 135445.4844 178797.5469 264399.5938 185350.0156 145244.1719 158599.0781 123138.4063 219855.6094 140225.6406 97191.75 120367.6094 134297.7656 120113.9844 136810.6875 93089.44531 120776.9766 170646.1406 152802.5156 171754.4531 232139.8594 168664.3594 159075.1406 156079.875 147889.5313 182617.7969 199347.75 137460.625 238119.6094 197710.25 209836.7344 122258.2031 216564.6719 117636.2969 186676.3281 169125.4688 111181.7813 207172.7969 239827.0781 145967.3594 189883.9063 147448.4688 145666.7188 PE(38:4) 299970.625 269296.5313 396896.7188 339446 307992.25 372268.3125 342667.2188 312988 354571.0625 337133.8438 312446.0313 440399.875 229685.7813 327407.125 287663.9688 268278.625 347158.875 342999.0938 137241.3438 322733.7813 347407.6563 321577.8438 306338.7813 307832.0938 213915.125 265184.75 369273.625 274587.4063 317032.4688 381926.2813 305627.375 322208.9063 400032.25 342002.8125 374007.0313 284415.0625 219080.5781 298844.7188 238007.9688 365771.7813 305292.625 356745.5313 274172.6563 269654.0938 335650.5313 306444.1875 294079.2813 336875.375 311730 293202.6875 413079.7188 264537.0938 268213.375 372310.0313 269414.75 270729.5625 358957.75 318070.2188 304452.9375 362335.8125 188142.6094 314618.375 269557.0938 144184.4063 174972.3438 319590.5938 272754.875 378891.8125 263335.9375 245656.7344 284417.5313 282373.25 298353.6563 341550.7188 370214.5938 250255.5625 307221.3438 399178.5313 322900.4688 357095.0625 378521.1875 249562.5313 324062.4688 429073.4063 191704.5 404926.9063 361703.0625 361113.0625 315864.625 285431.125 369735.125 351393.6875 378808.2813 292280.2188 287579.7813 339138.9375 PE(38:5) 213957.375 187536.8594 256670.7656 248578.5 230444.125 276894.6875 187377.0469 205022.5625 280421.125 152261.0625 66388.55469 189281.2656 162973.6406 220818.3125 208633.8594 188490.2344 201864.7031 223307.2969 97087.71875 219902.7031 219924.6719 184976.375 210490.2656 249797.5469 156538.6875 207777.3438 258365.2031 140370.9531 207179.1563 156044.8906 221954.5 188492.7344 243201.0938 261416.4688 265563.5 295754.0938 178862.8438 224075.9375 233728.1719 125177.2969 85129.46875 163630.6719 201252.9375 202081.125 227765.8125 198098.0313 191618.7031 226742.0313 263191.2188 211098.8906 278846.5625 89761.09375 223073.0156 145280.8281 214463.375 194706.1094 222751.8906 118767.6641 117807.8359 177481.2031 137092.4063 201988.8438 232219.0781 164408.7969 209028.9375 246182.9688 103832.9922 138305.4219 93871.39844 100246.4688 143387.9375 153103.2031 201582.8594 197289.5313 268804.5 168597.7656 239915.2188 310274.2813 212914.9531 228126.5781 248641.1406 176732.1875 243778.375 274724.6875 144428.1719 254783.3125 280187.25 255132.5625 225633 203890.3125 125788.6563 165309.9063 214360.75 213960.7656 117927.0859 147350.2969 PE(40:5) 216427.2969 252942.7344 355253.75 413578.4063 343796.875 302050 370635.4063 372138.25 372133.0313 373673.1563 369172.9063 349504.7813 184774.8906 291263.5938 351103.7813 245040.3438 380387.5 322716.8125 158002.3281 260907.1406 349406.4688 272713.6563 312458.2813 296476.7188 216300.3594 297855.7188 334139.375 330911.0625 313477.375 401364.4063 248545.4063 293874.8125 407015.6563 326447.6875 346917.6563 388703.625 109113.3281 300138.5938 326644.9375 291356.5 237218.6875 340016.9375 329364.7813 262015 331632.75 263977.875 287577.7188 277917.5 317263.0938 418102.0313 346618.2188 323163.3438 325677.6563 284934.5625 333991.8438 529797.0625 322721.6875 273424.1563 308702.4375 424880.25 233814.3125 293398.5625 297475.2188 169028.8281 328928.0625 336466.4688 110484.8828 444007.1875 231190.6094 179569.4063 216564.3125 309640.2813 260479.1094 323564.3125 378959.5625 237755.875 314567.2813 355553.5625 353407.5 307817.5 322501.5938 233789.7188 290017.375 347983.7813 196464.875 278081.875 365951.0938 293812.875 330641.4375 266124.75 297022.125 272927.4688 289673.5313 249097.4219 249567.1094 259868.875 PE(40:6) 230331.3594 280032.6875 453803.625 346067.5938 237916.4688 409457.75 308993.375 266766.6875 396591.3125 353289.75 357539.4063 374683.5 240684.7344 335339.625 489676.9375 316823.7813 412811.9688 474020.9688 219973.8594 351541.7813 490982.8125 273179.0625 307758.3125 416186.0625 182931.1719 274375.1875 456913.3125 272411.75 324834.6875 440796.5938 205378.7969 283036.5313 369994.6875 315255.2813 297324.5938 401347.125 338774.625 275983 503927.4688 373571.8125 320577.8125 567906.75 523057.3438 299818.9688 487073.4688 327652.5313 284756.2188 435319.1563 342708.5938 285786.5313 429521.25 234440.2188 239618.9063 355084.0313 341592.7813 408451.0625 463431.2813 263042.9063 267882.0625 531558.1875 296856.5 369035.2813 532890.4375 182404.2969 479093.7813 493243.2813 241163.1719 383041.4688 460695.625 225882.2188 268424.5313 479216.7813 263998.3438 277523.1563 634385.3125 238545.8438 284201.6563 561741.4375 305084.5 248643.3125 443832.2188 194955.7344 324792.0938 496875.9688 196418.5 412595.0938 550591.25 341402.625 358736.9688 412857.8125 364466.75 286192 408872.875 305670.0938 287213.5 396157.875 PE(O-38:5) 120688.7188 130538.7266 123704.1094 128463.9219 128391.0391 230280.7031 120905.9609 128552.2813 140891.6719 135018.4531 114536.9453 185061.1719 98991.24219 130038.3203 124147.9063 127598.0313 195950.5469 181969.3906 63798.33984 112736.9922 141332.5156 169884.125 119476.3359 129564.4844 94655.96875 126037.3125 157758.0313 120799.75 143745.3125 150303.8281 130452.0234 86538.49219 182676.75 154183.3438 127392.3594 176402.0781 156504.5781 150937.8906 147193.3125 155900.5156 110064.8203 76538.49219 193534.5 151558.6563 200071.3281 144283.2969 115713.3516 150925.2344 170359.7031 100548.125 155119.2813 117921.3047 135325 186902.6406 124813.1016 97071.375 145881.9688 133428.3906 121688.6641 155972.2344 102662.7734 153816.9688 71725.60938 167213.2031 116170.7813 152351.0313 125936.0234 179212.1875 122681 60351.8125 48322.15625 168279.2813 95722.85156 107752.4219 145616.8906 108648.4609 122790.5234 211011.8906 149494.9375 140294.4531 148762.3281 107736.6641 121875.7422 188832.3906 63293.52344 147387.0156 172063.0625 127611.9688 145165.4844 160695.9219 57122.57422 95873.14844 172198.5781 183465.7656 139365.3438 178377.5625 PE(P-34:1) 151232.2969 183446.9531 198295.4063 218703.9219 331851.5938 214146.5938 180928.1406 285786.0313 273607.1563 183826.7656 273194.5 248571.5469 192840.0313 212346.6563 292794.875 319850.7188 282895.9688 279224.8125 186924.6563 267430.9688 302390.9688 241345.7656 316513.3125 241051.7813 128648.4219 208023.1875 246209.9063 227078.2188 302346.2188 213948.2188 91270.27344 258505.5938 229692.0469 149759.2031 209848.9688 213950.9063 273136.4063 205143.2344 285615.1875 230915.5938 264719.375 308677.0625 320704.5 311066.2188 251782.1563 256524.1875 298687.5 234378.75 233254.1094 231290.5 253714.2656 246223.9844 172992.7969 219452.4531 189974.0156 316353.5313 234609.4844 208154.2656 212940.375 288107.9063 138764.2188 248370.25 164564.2188 183984.6094 244332.0469 275420.2188 179969.2344 356668.5938 270303.3125 192864.2969 233646.8594 274920.7188 192463.0469 207565.0938 213166.4219 148846.6719 242052.2656 280632.1875 164087.1094 192966.0313 353734.3438 143728.625 242921.9688 245373.75 185705.6719 277136.1875 311247.0313 186006.9531 317458.1875 202454 448573.7813 281151.5625 208236.5625 290702.125 301930.9688 225965.875 PE(P-36:4) 171289.4063 241342.3438 269795.5313 295270.5938 230278.375 357983.875 433055.3438 262757.8125 475029.2813 297877.4375 333224.0313 369533.2188 265518.6563 432378.9375 490740.875 280365.6875 303178.3125 667822.625 187070.7344 359261.3438 298977.3125 527229.0625 502561.75 605819.5 252954.5625 767340.4375 490480.3438 266407.0938 381632.1563 476818.5625 371435.8125 485487.9375 582702.3125 434415.375 454935.0313 326986.6563 361559.8125 319312 297138.0313 311443.75 291814.5625 343704.4063 521286.5938 600578.875 647111.4375 269608.5313 289983.5 231311.6719 516957.75 383335.8125 358384.6563 379580.7813 242774.8281 437468.6563 428161.625 222836.9844 277531.0313 252301.7344 252426.625 359938.5 221495.1875 306526.8125 571667.875 274433.5313 587804.6875 383731.0313 163042.1406 307348.9063 563127.0625 196850.5156 622897.1875 308091.9375 483923.75 273616.0625 315735.6875 414506.7813 278828.5 366839.6563 265209.5625 280462.0313 499043.875 189619.9531 247046.4063 375754.7188 444764.1563 448455.2188 297283.2813 286077.9063 390239.625 432387.6563 322168.6563 357507.875 293079.5625 646288.9375 403745.0313 339674.5313 PE(P-38:5) 321054.3125 236673.5156 338987.0938 451482.0938 598907.125 514490.6875 356575.9375 340009.7188 239456.7813 367034.6875 567296.0625 344222.6563 392081.9063 396038.25 212742.375 466712.9063 610980.4375 604897.8125 227738.75 444946.25 246750.4688 475773.8438 488263.6875 550571.5 401552.4375 392284.125 354879.5313 392466.9688 399361.8125 404395.5938 482865.1875 253849.8906 365152.7188 491674.5625 416570.25 525437.25 355031.375 525917.75 386718.2813 428453.7188 400831.4375 504558.7813 327428.3125 417564.5313 421414.1875 345727.75 388145.125 356537.5938 444219.8438 351082.1875 416395.25 256184.7344 301599.5313 357161.3125 470437.7188 511671.9688 557503.375 271270.2188 301861.0938 323415.7813 419693.75 608340.6875 580144.0625 339629.75 361880.4375 363357.5938 276930.6563 457245.5313 493638.25 384937.625 367571.1875 431604.0938 298523.25 330267.125 328652 511500.8438 518861.4063 624038.75 483038.2813 345717.4375 327315.5 343093.5938 339837.125 262682.7188 410059.875 411432.6563 294301.125 328409.6875 443348.0313 218911.2344 509468.125 616021.5625 576850.9375 384495.9063 629623.0625 448224.2813 PE(P-40:4) 244951.5156 222458.1563 210865.3594 289083.4375 292683.1563 234172.7344 285791.125 348531.0938 163007.8281 253212.6875 343571.5938 269029.2188 244229.7031 349760.375 214983.9844 297282.5625 302285.8125 281183.5313 178171.0781 348455.5 260457.2656 356838.0938 305792.4375 261091.3125 204316.9063 301046.2188 237004.7813 256656.1094 260667.5938 216191.875 218157.6406 273808.9063 253721.3594 296996.75 298995.2813 259886.7344 323408.375 303326.9063 251347.0781 292988.1563 334609.1875 180579.7344 357309.7188 353840.5625 257729.0781 333270.5313 323483.0313 219585.0313 363720.2813 295102.7813 258239.4688 220964.4844 261301.2813 235427.9531 245808.9844 270631.3125 254490.5156 272301.1875 270915.875 241750.4844 242902.9688 288702.9375 147766.5781 231528.0938 289736.5 237038.875 226673.5625 304184.2813 261825.8594 263157.1563 216806.9844 218262.4531 228112.1563 296951.0625 224427.8125 287336.5938 271984.7188 252558.1094 260766 258765.8125 208930.2969 267020.3438 228154.875 223154.4531 225248.4063 362409.1875 224987.1719 338656.4375 330855.6563 250969.9531 273151 374903.4375 242643.4844 361888.4375 344602.8438 260814.0781 PE(P-40:6) 289756.6875 256711.0625 433210.375 259472.2344 330347.7813 459958 275053 338028.9063 444109.125 308041.9688 388148.875 525175.5625 243944.0625 336840.1875 363688.0938 284330.4688 342858.8125 497775.2813 218241.2969 387684.3438 490674.0625 357798.9375 409907.25 471014.8438 227591.125 296457.0313 365043.0938 270254.7813 283276.1563 473731.875 255234.8906 271784.1875 445708.1875 289500.25 293479.6875 488584.9375 405284.4375 382682.25 527179.1875 302590.2813 333674.1563 495064.4375 353258.8125 355106.1875 511916.6875 282252.0938 428201.2188 456893.6563 262902.8125 293988.75 454774.4375 249404.4063 238284.625 473570.1563 269519.8438 275021.7813 516874.0625 297452.0313 306026.9063 456665.0938 236144.2188 374883.2813 358415.5938 244059.7188 361931.9063 542349.4375 308896.9688 284208.2188 457591.1875 254967.0781 365940.125 429889.6563 259058.2656 285961.1563 474989.9375 278737.9688 284829 555247 317405.2188 245344.6406 429059.8438 303744.3438 312181.6875 473962.2813 208973.8281 360003.8125 485056.2188 279032.5625 330805.0625 492515.3125 370571.1875 365551.0313 464655 430337.75 313188.875 523336.9063 penem CGP31608 64721.15625 32008.1875 147062.6406 63713.97266 66269.35156 121282.1953 61963.15625 72593.71875 88157.5 69493.16406 66384.25 124102.5859 122491.5938 113319.7422 124348.8359 125601.3203 103522.6641 170443.4844 73243.39063 88363.94531 90120.53906 110052.3594 113917.5469 109416.0313 45948.00781 49658.10547 124985.5 97603.22656 81317.9375 115330.3984 79070.03906 53561.51563 112649.2578 62340.27734 73470.34375 111198.3438 96275.82813 102027.3203 128754.0938 86369.47656 94052.47656 82177.21094 94460.29688 81101.13281 246311.375 78468.9375 69875.38281 156338.2031 77268.9375 39868.32031 140237.7656 55104.31641 56440.38672 133070.6719 98629.85156 50585.83984 67322.9375 83499.20313 52887.46875 98441.89844 92349.71094 72954.53125 160853.4688 56274.47656 63990.52344 162905.3906 87600.44531 115786.5313 100986.2031 71591.13281 104825.3438 151081.2656 45942.71875 46853.24219 85587.50781 53730.91016 57874.25391 107922.0391 90202.25 63982.75781 115044.0781 50919.43359 77608.89844 107609.7344 77034.64063 125176.3047 100627.3906 106203.5156 90843.99219 116027.9688 87623.39063 95173.64063 123564.3203 98777.44531 51784.28906 127255.3594 Phencyclidine 172871.3125 9341.387695 404990 51383.31641 29782.3418 20447.92969 30354.94531 33592.75 149412.0781 52739.21484 92566.35938 61614.64453 9347.265625 113102.2656 94266.36719 95640.07031 19788.18164 46236.75391 140876.5 23763.10352 15308.38477 19352.46875 239015.7813 17641.80859 31906.3457 243124.1875 15669.50293 132160.5625 21851.30273 40222.44922 21637.73047 63063.34766 111536.9609 65115.17188 100758.2266 158412.0781 63251.15234 59622.11328 9963.399414 127016.8516 74825.99219 15935.70605 65757.63281 10992.04102 58301.30469 54275.03125 29400.10547 39204.89453 61821.39844 59510.98828 35104.28906 35837.12891 84840.99219 35703.97266 192342.7188 42890.5 266099.8438 138405.2344 59968.60156 185120.2969 61214.73438 25201.58789 43301.05078 136275.5781 23134.48633 15101.45508 24468.65625 13128.63184 39644.44141 10995.42188 11556.35547 89502.58594 215960.0469 9814.25 80040.625 94858.84375 56981.91797 67845.25 159450.0313 195670.1563 181447.2656 44407.5625 46044.38281 89688.91406 57507.69531 46567.03125 242375.7813 99830.75 110069.6641 22487.33594 120055.5234 149828.7656 31462.73828 24586.98242 96553.07031 60793.71094 Phenethylamine 111024.2344 154568.9688 130461.6406 142332.6094 150102.2188 185929.9375 133486.75 136312.0625 161289.5938 132939.6406 131883.9688 128177.0156 126344.7266 133630.625 150988.2813 130433.1797 138881.9844 134125.3594 141802.9219 124791.8281 172891.7031 118899.4297 124801.4531 159748.4844 98496.14063 116488.6094 181339.7031 136175.5313 136521.5469 158918.0313 120811.6797 178935.6719 152473.5938 146064.7656 123154.1328 137195.4375 129451.3828 123078.9063 170789.7656 137573.9844 150814.0938 161921.6719 153703.625 127736.3359 166319.25 164610.2813 125173.0547 145116.0781 123269.6328 137712.0938 182270.2031 133084.875 131527.9531 138064.1875 120707.2344 143615.25 166684.0469 114576.7109 126573.5625 147696.0313 106369.1797 143361.7031 145487.2813 105840.0313 136407.0625 189694.0781 102497.6641 134653.5 136104.3594 114165.3672 145656.375 159841.7813 119570.7891 127407.8828 153646.625 110066.1094 159509.8125 155565.1563 135481.7813 126558.0703 153812.6875 107279.2891 130814.3125 148214.875 88992.1875 128773.9219 179368.8594 125241.4453 161370.6719 147801.1406 166400.9844 125794.4219 183403.4375 124563.2422 141042.3594 135976.2031 Phosphocreatine 58958.75 62118.48438 182457.75 62619.8125 55719.75781 138734.6875 81615.92969 36480.61328 167085.3906 66629.75 37099.58594 143731.5 120162.2891 116886.9609 299903.625 164419.5313 123535.9844 300266.5 140284.7969 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1749532 1447510.25 1507746.375 1906429.125 1535198.625 1616184.375 2000335 1564631.625 1733820.875 2154351.25 1341657.5 1477507.375 1844546.875 1333504.75 1296123.375 2094417.5 1278462.25 1558877.25 1696302.875 1423812.125 1695032.875 1740340.375 1407653.375 1425143.125 1625102.375 1409938 1829505.25 1652491.25 1545805.375 1482580.625 1803054.5 1802985.75 1361201 1747497.625 1568492.875 1686472.125 2001075.5 1513392.125 1409263.25 1931589.625 1662864.25 1395926.125 1976542.25 1312800.5 1580561.375 1650360 1393635.25 1484412.375 1483754.375 1591196.5 1566614.125 1704318.375 1244958 1573851.5 2801713 1306968.875 1628055.25 1824834.625 1313505.75 1404527 1672938 1320640.625 1426410.25 1987716.375 1346053.75 1661183.25 1828547 1344241.375 1707530.25 1731277.5 1499261.625 1507328 1783127.5 1294772.625 1518834 1734127.375 1431412.5 1546463.875 2022734.75 1709782.125 1663095.375 1889789.375 1414418.875 1520542.125 1871404.375 1410906.625 1412274 2031456.875 Proteacin 47227.92969 48708.57031 0 34854.05469 18917.72461 58167.98828 17201.02148 40910.00391 58947.94922 21860.01172 30018.92969 22085.15234 110949.6797 46514.66406 123581.7813 83071.46094 52494.75391 75316.375 88584.82031 83953.42969 107790.7969 96840.86719 49154.75781 89458.90625 51898.61719 46899.10938 66307.42969 67519.75781 32358.91406 52783.49219 43992.90234 44135.19141 35187.125 0 51566.16016 43464.82031 46910.40625 67101.21875 116614.0234 65832.29688 109806.4922 135169.5313 141438.2344 90943.14844 161113.5469 71704.78125 67773.66406 113636.9766 18191.05273 28145.30078 59613.38672 61410.60938 33029.64453 67900.48438 48254.99609 44518.99219 52275.32813 0 0 56544.60547 87255.77344 109026.2656 97041.57813 90825.89844 43386.63672 70717.82031 85187.25 75630.78125 87595.74219 110543.6484 95835.41406 119092.0156 46096.47266 54162.16406 69023.07031 44716.51563 43309.69141 58746.07422 14225.7832 48195.31641 55852.03125 29202.74414 31920.7168 23228.39648 111832.2109 97609.3125 88957.39063 34711.79688 67337.9375 162375.8906 55270.02734 171338.9531 104045.2109 65042.08984 79395.42188 119444.2813 PS(34:0) 190450.7031 205521.1563 186017.75 226354.1563 220457.1875 201019.6563 190758.4375 207356.8906 166029.8594 282153.8125 207112.3906 199369.7344 109790.875 155362.5156 100545.2891 83622.39063 131123.7031 95291.00781 39587.37109 86208.65625 97997.72656 128950.0469 137124.75 122875.9219 139520.4688 195100.5938 205517.9219 232665 252223.9375 183865.1875 237294.7969 250979.2813 252766.9688 557634.0625 366194.0625 388827.625 166797.0156 108115.1953 101582.5781 124981.4922 84878.28906 117826.5859 109041.875 149566.9531 122363.25 125780.1953 84535.78906 98352.04688 186077.4531 229758.3281 198307.0938 174165.4688 239255.8906 259960.5156 247225.2188 220089.875 189826.125 194131.8125 198625.4219 202881.6406 43947.18359 108339.4609 0 106780.0859 103880.2266 93148.46094 114299.5 149188.7031 76340.78125 118846.1719 107756.8828 109633.3594 184464.7813 283091.8438 185568.4219 188854.6719 178995.5625 229921.9375 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101811.2266 113589.2422 145344.6875 132094.8125 117508.2734 175342.9688 121891.2188 151679.1094 159786.6875 101831.5625 143118.125 196042.5781 178192.9219 135192.9375 207946.3125 167683.8438 185301.0313 215578.7344 205538.7656 209041.7656 167534.9063 210713.8438 54264.94141 151094.3281 122337.7031 93108.70313 150061.6563 112733.6406 101462.9609 194561.0625 109209.3828 90102.71094 170779.7344 94610.66406 237990.0156 227622.5313 205615.2031 187462.1875 189268.8594 192690.1875 260958.1094 201337.7813 154853.625 183867.7031 169373.3594 171705.2031 76790.5625 134892.8594 113443.2578 117682.0469 141127.4844 94485.96875 147363.2031 131017.4609 121587.2266 144925.4531 134145.5781 138017.5 PS(38:6) 208200.8594 211907.5313 165865.875 256881.5313 272148.5313 221226.3281 245070.2813 285809.9375 162669.9844 237221.6875 253590.8438 203454.0313 193202.2656 279228.5 141684.9844 173942.3125 283555.5 151611.0938 190337.125 297570.9063 160397.3438 205810.7969 289914.8125 182448.25 189967.3125 233606.8906 170153.7031 194412.9531 253227.6094 185690.2344 185992.0781 244901.6875 206997.5156 271771.8125 279827.7188 207319.0156 232410.1563 228477.0938 155341.6406 206216.5938 240034.5 150299.9531 206129.6719 321875.1875 218041.4375 289820.1875 278116.5 147934.4688 173648.6094 227362.2656 197661.0156 168787.8125 250090.0156 191134.7656 209851.4063 268858.25 215977.0781 225473.0938 246084.9219 200990.0625 109468.8672 240146.3906 233056.5313 202566.2188 243443.7813 131782.375 217833.25 294726.0625 127404 199442.2656 271258.2188 122408.7813 238902.3594 310676.8438 205535.875 205244.8594 215717.0469 188063.8125 326531.9375 265687.7813 142956.1563 186357.5156 290142.0938 189704.2813 172752 257752.3281 147699.2031 236560.9063 300931.0625 131144.0469 270236.3438 250060.2969 154029.375 258414.5 246122.5781 166017.1094 PS(39:4) 90406.50781 121831.1953 276394.9063 102726.8359 135293.2813 336337.375 114018.5703 118101.3359 297126.0938 112360.5156 92256.04688 316702.625 108763.0078 163853.4844 267044.8438 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63058.22656 280916.625 261406.1563 73083.86719 285458.0625 242634.1875 93153.97656 psicoselysine 53476.33594 37232.625 31752.74805 64571.51953 30402.94727 40970.41797 63118.39453 30286.8457 37094.66016 50488.32031 26991.4668 32413.45898 0 0 0 0 0 0 0 0 0 0 0 0 50439.04688 38377.70313 36992.87109 66721.875 40363.47266 46734.48828 111793.3594 60917.91406 89059.17969 159820.7969 90900.25781 102633.5703 0 0 0 0 0 0 0 0 0 0 0 0 48209.4375 30572.90625 33637.18359 62771.08594 46105.42578 44079.25781 73298.96875 47513.24609 41352.44141 92931.07813 44807.37891 37537.30469 0 0 0 0 0 0 0 0 0 0 0 0 66986.04688 38766.86328 33785.68359 76663.9375 40638.19922 45420.49609 103747.8672 54106.57813 46561.42969 102394.0703 46922.3125 46852.85938 0 0 0 0 0 0 0 0 0 0 0 0 Pyridoxal 34275.0625 42406.91406 35644.69141 36161.62109 28657.84766 103619.2188 65850.71094 44917.33984 140597.9688 59437.37891 52613.55469 174488.4531 34027.96094 55875.78125 104377.7969 41103.35156 39470.18359 109718.6797 76718.25 79779.76563 156620.4531 84936.1875 141399.7656 142091.2188 31000.61914 22492.43945 57079.75391 33100.61719 27627.98828 84226.35938 36712.61719 38102.76172 135466.4219 51638.65234 68805.71094 164647.6406 36620.65625 49321.01953 87131.16406 46466.79297 72616.55469 58343.22656 55125.07813 46396.44141 165232.0313 101189.3516 124245.0625 174376.3594 35419.03125 36946.37891 43300.62891 31830.02344 30196.28125 99244.77344 57000.72656 44792.22656 131431.5156 59075.51563 53317.07813 154581.0781 37567.17578 51733.98047 174754.1719 34822.97656 52306.45703 125171.6328 55871.34375 60676.79297 150907.5938 86140.95313 87445.67188 185217.1875 38046.20703 24472.22656 46738.41406 31126.11328 30570.48828 75023.125 47057.15625 48167.37891 133697.5156 55824.9375 61587.80859 180249.0781 36024.90234 57044.96484 72266.07031 38158.25 52956.13672 99063.875 62157.57031 89834 148694.9063 71446.97656 94276.84375 171153.4219 Pyridoxine phosphate 189173.5156 128735.0469 157368.4531 279673.8438 139638.875 126877.8516 206102.0781 136117.9219 71239.82031 140530.9375 115958.5781 39730.125 215216.2188 183676.5938 165537.3281 213825.1406 235592.4688 133724.7031 233381.5781 244317.8438 75936.14844 188645.6719 179142.375 46765.21484 222136.0938 117435.6563 158250.2656 167804.2656 152193.4531 117041.0703 183687.5156 137079.5 65680.64844 179429.5469 154544.5625 38144.07031 181029.3594 214326.0938 96921.42969 207272.4844 250706.1875 116289.1563 229516.2188 194025.8906 85487.73438 196490.9375 187521.8906 41182.74609 209764 115399.2266 143142.7656 196918.4688 129179.8281 119860.8672 171622.3906 144744.4844 68101.40625 191892.7188 98015.625 40949.63281 201512.2188 213940.25 190645.1719 176386.9688 221993.3281 118168.4453 190146.3281 196697.9531 78930.5625 170342.7969 216334.3594 36643.27344 207019.4375 118616.8281 141163.6406 204177.25 144066.6094 114954.1563 180383.375 145372.9688 71216.95313 210208.9531 133759.4219 49538.03906 194990.875 178414.7031 96804.29688 224728.2656 252570.3125 106627.8281 224811.3906 239910.3281 63522.03125 191977.0469 153024.7813 47391.40234 Ribitol 19601.23047 31001.03906 59364.80859 21057.16602 0 113815.1172 0 0 46285.27344 0 0 67251.30469 353893.4375 308974.7188 434329.4063 297556.25 231796.6563 341679.4063 333111.8438 428068 495855.8125 300783.7188 186162.1719 417425.0313 19895.08984 22553.80078 40564.76953 0 0 69613.09375 22824.03711 18260.07031 58191.97656 50304.90625 0 61792.4375 324754.2813 258023.125 434090.2188 187675.7344 431841.4375 259975.8438 355989.625 468983.6875 262073.75 304981.4688 220166.0156 247196.0938 8534.710938 28681.9082 51092.625 0 9378.013672 49039.91406 0 0 30000.37109 21986.80469 21391.56055 22109.91797 174784.5625 297783.1875 677469.5 252818.375 257070.5 163190.8594 162013.8438 419041.875 300741.3125 223910.8281 257111.625 396580.875 0 17643.80664 61393.85547 16907.92969 0 57151.55469 25952.95313 0 52117.07422 30977.49023 0 34435.73828 273130.9375 223354.8125 462140.4375 167038.6406 242244.4844 201036.0938 231297.6719 354338.1563 297251.9375 262289.6563 522781.5938 344287.0313 S-Adenosyl-L-homocysteine 172082.0469 132131.4844 155032.6563 170907.4531 85613.21875 157434.4688 222276.7188 94061.61719 142312.5156 169587.4844 93877.35156 138062.75 75591.97656 91662.96875 77128 71949.48438 84435.96875 78021.8125 63745.39063 78607.10156 99390.08594 78102.32031 91627.51563 110166.6328 123962.5 90691.36719 159657.3438 161243.7969 96323.30469 157705.0156 318237.5313 164377.0469 265339.75 424480.3125 260924.9219 319221.2188 87751.58594 87709.46094 67421.0625 78419.53125 61747.60156 94833.79688 71188.00781 77015.6875 84497.44531 102048.1641 112920.2344 85479.125 137719.9375 113351.4922 104940.0313 206839.9531 104279.0234 160052.25 269086.3438 138529.5938 167187.125 329391.5625 132652.3438 171714.4219 78054.60156 97487.04688 125841.5781 50091.61719 60711.92578 106262.7344 63232.86328 64407.65234 90392.9375 62732.42188 99022.36719 59065.49609 159280.9844 100571.7188 145229.1719 184904.9219 122753.8203 184713.7344 333500.0625 164701.1719 178095.2344 300362.125 149253.0469 238550.0156 106170.9063 105011.9297 73238.0625 129426.8984 77183.46875 78043.01563 67010.55469 81232.89844 88773.1875 63341.22266 90441.35938 111768.7813 S-Adenosyl-L-methionine 314311.9063 342615.3438 521323.0938 730998.5625 385942.0313 965565.8125 775895.3125 482718.7813 1096253.375 759097 637373.9375 995597.8125 315385.3125 304152.9688 406670.4375 344691.875 260053.4688 369579.5 275606.2188 337770.9375 386160.5625 297661.5938 330949.3438 327501.4688 334469.9375 255793.6719 838630.125 459774.8438 324091.5313 637044.1875 496940.3438 388337.5938 976827.0625 492073.3438 481063.4063 822501.375 320078.4375 294302.25 386535.8125 369063.5313 335580.9063 316918.7813 325945.9688 195194.375 314886.7813 294516.1563 346134.4063 345392.5625 341979.6875 306163.4063 511280.2813 489205.0938 550706.1875 939573.125 805590.5 647829.5625 784584.125 938596.6875 603306.75 1205719 359650.7813 322090.5 513610.9688 292588.9063 294059.125 378638.75 263947.5 285413.0938 400888.0625 273300.4375 305560.625 378859.125 425433.5 240152.7969 741446.5 668458 387433.2188 967790.9375 849017.625 583835.375 858310.3125 847388.5 655592.875 1179656 405125.375 309447.625 304660.0938 284105.0625 232325.6406 356040.5 236886.125 348445.3125 451904.9375 292590 261565.4844 485251.9063 Saphenic acid methyl ester 79210.125 56236.67969 67127.64063 78927.65625 69383.21875 70194.03906 68317.96875 82155.84375 80793.46875 82819.88281 67812.23438 65658.33594 100637.2578 120386.1953 38462.80469 96367.8125 85859.34375 44648.67188 68264.3125 42175.8125 52601.81641 92207.9375 62065.48828 55923.35938 57125.19531 69028.86719 54438.19141 74962.25 95496.875 48257.93359 93384.63281 45994.33203 42295.05469 61981.35156 52492.19141 44552.58984 76759.83594 67897.82031 69563.57813 55281.42578 78167.38281 37728.26563 100227.1875 49762.99219 63158.87109 71661.48438 29197.10938 48466.71875 122260.8125 55415.48438 58945.10938 77923.32031 115656.9531 65565.04688 97331.34375 70593.82813 47920.72266 87169.13281 60386.84375 58346.66406 42516.46484 70725.57031 69050.69531 79339.09375 96534.21875 54342.24609 75662.74219 58131.6875 47783.55859 57929.46875 60218.96484 54656.10547 82369.26563 79012.55469 72447.04688 67497.40625 62146.22266 57985.14063 63454.16406 61613.54688 58973.10547 77358.21875 49550.06641 58454.86719 49314.90625 94404.125 62219.46875 101903.5703 89827.71094 56700.21484 95985.36719 57857.88672 63272.93359 85957.16406 42210.07031 55388.94922 S-glutathionyl-L-cysteine 100844.7422 207487.5156 104276.7422 98625.49219 58446.61719 246056.6875 246150.3594 58875.95313 147198.5156 230887.5156 84767.625 132172.9219 81081.39844 96984.94531 364517.3438 147533.2656 157794.0938 220945.4219 321878.5313 159891.7656 157671.625 148853.2188 180958.2344 112246.2813 76979.59375 205037.4375 194135.4844 71407.19531 56806.33203 137475.1563 77643.21094 170033.5938 171326.8594 381786.1875 129224.6719 143808.0469 195826.0156 232544.9844 228895.4063 146810.5 176671.7344 218677.1563 98854.89844 129219.9453 107206.2813 191013.6875 178395.1563 118171.4766 74043.00781 174477.5938 192338.7813 74126.41406 68405.75 170225.6563 227186.1563 99191.42188 90144.10156 89145.59375 83419.88281 109476.2266 172003.7813 330829.3438 325561.3438 106553.6484 131804.6875 273601.0938 111033.2578 206308.2656 132306.4063 111994.2734 171279.0781 159072.7969 238414.125 275409.2188 196157.2813 213901.2969 121121.2266 220096.125 132823.625 72686.82813 140675.625 98607.1875 151289.375 107244.3594 316727.9063 124198.9219 86405.96094 126199.625 153713.3438 115735.7344 182754.6094 153360.4688 103906.9609 102517.7734 219996.3594 79304.14063 Slaframine 241583.625 216977.9063 461284.5313 279802.9688 257797.0313 410013.6563 280952.375 205812.3594 397443.6875 216869.375 202275.6875 487662.8125 242026.0156 286004.9375 503370.3438 295035.9375 379814.9063 393722.1563 248277.8125 353025.8125 531448.5625 300453.125 331312.0625 450031 212177.4219 216197.875 428026.5625 263945.3438 236188.4375 402667.2188 257979.375 267175.4375 427995.4063 260854.6406 253890.1563 453934.125 312067.0625 345357.0313 445765.5625 318892.5938 363143.4375 563802.9375 277235.5 328780.4688 394709.9375 389640.4375 426962.375 439110.0938 261771.6875 231931.9688 443361.5 257891.375 228221.25 441655.5313 288003.0938 281730.0625 398245.7188 233564.1875 245494.3906 385481.375 272819.1563 372546.375 765884.0625 273253.9375 282141.375 397705.375 265320.6875 353485.6563 350247.6875 319933.0625 408373.0625 464509.7188 225424.25 238943.625 429738.4063 265378.5625 246482.0469 564233.375 195711.4375 248647.5156 359451.9063 298575.9375 254041.5938 421187.875 280803.0625 383884.125 481982.9063 261918.1563 372446.2813 429299.2813 338440.5 410452.1875 441888.2188 364512.6563 311358.0938 392443.9375 SM(d17:1/24:1(15Z)) 214943.2969 311371.9688 361632.7188 213334.9063 207911.3594 131096.5156 238180.4844 288290.2188 203226.1563 205940.2969 222535.9219 304611.0625 175596.4844 288769.4063 167534.9219 274282.9375 245312.6406 203205.0313 211566.5156 324497.4375 274454.3125 262500 219590.25 191363.4375 143090.7969 408250.0938 334153.9375 161597.0156 242709.9063 271854.625 214487.4219 247083.375 203777.8125 247330.4375 206590.2344 337324.6875 286834.75 376438.5 376209 276202.875 259711.7813 279462.8125 272580.3125 426877.2188 248220.9375 289182.1563 290276.5938 209947.3594 219795.1719 177449.5938 198888.75 197463.6719 175079.6719 246473.7344 207210.2969 241565.3125 333872.125 181447.1094 250245.0469 206149.0313 159041.0625 242795.0625 149602.3125 134738.7031 277677.3438 242675.4688 214467.125 397204.5313 265159.4688 193680.375 273267.0938 178502.7813 252973.0156 233448.5625 203360.6094 249972.2188 295565.625 207529.6094 179287.4531 408112.0938 213195.1563 211924.2656 274025.7188 202070.9531 143436.9375 283001.6875 283287.9375 246076.6563 258797.1406 200199.2031 291633.5 272717.9688 191622 238854.7813 204613.0781 175053.5469 SM(d32:1) 73900.35938 72058.09375 135568.9063 94053.51563 86495.89844 145114.9844 102500.3203 99416 170260.4219 86980.875 94087.57813 154973.7188 83426.42188 125648.8906 130572.4141 106345.3984 141863.6875 140381.0938 63583.17969 117902.3359 124128.7109 106366.1875 112443.8359 130085.9609 58051.41797 86297.375 138069.4219 80717.35938 82826.21094 126969.7734 97083.26563 71640.66406 152735.9688 127417.9219 90846.125 123570.5391 114006.7578 121521.7734 141982.6094 125218.3281 131078.2344 154357.9375 98733.38281 152208.125 136626.1406 126095.0703 126318.5391 121590.5703 95311.82813 88950 144812.3281 73232.38281 90209.84375 137547.7031 67536.53125 90451.55469 121828.0547 87090.0625 89020.875 119692.3125 69344.79688 122794.8359 175833.2031 75894.86719 106776.8594 129661.8438 62245.48047 117539.7031 106740.125 87755.60938 114824.6172 102783.5469 84913.42188 69577.07813 119020.4688 71136.70313 88361.3125 147492 87713.07813 79240.34375 119336.1641 60135.46484 87471.40625 136305.875 60468.24219 144542.2656 126071.7969 108280.9609 129424.7734 131538.4219 118762.3438 119201.875 138645.2813 115074.8906 123206.1484 162066.5625 SM(d33:1) 186285.3594 198181.0469 266286.25 297457.5 211877.4063 442473.9063 267346.9063 408168.5938 465494.4688 223953.6094 302417 321238.375 158332.2656 174281.1406 256860.2969 122717.8125 213805.2031 573456 147495.0625 264054.0938 346661.25 284455.5313 130472.0625 306808.3125 134431.4688 191547.4531 420842.625 232623 180918.0625 416301.75 232044.8594 218027.125 343709.5938 262243.4375 257793.8906 532807.875 277423.4063 266963.7188 331108.8125 247265.2969 213477.4375 236212.5 222353.2969 196684.8125 259658.5 197590.8125 285854.9063 224521.6406 349856.5313 217696.3594 341576.4375 123734.7109 240637.3438 422761.7813 248008.4063 256713.0313 338511.2813 518635.4688 222756.5938 396542.3438 125749.625 173302.4688 136996.9531 186225.0938 320242.0625 337292.6563 337877.2813 254251.375 222169.2656 211169.6094 302417.5938 283361.25 244240.375 236966.4688 297857.625 135861.1406 239404.375 378461.8438 437518.4688 236600 176146.7813 216337.2188 233836.5781 703039 184849.7031 189969.7188 285716.875 186686.4688 289810.2813 230654.5469 316968.2813 214228.0625 284955.625 181907.3125 195062.1875 240657.4688 SM(d34:1) 317317.6563 296219.25 593053.3125 137404.9063 207634.9531 132662.3125 247691.4531 383160.75 460229.9063 208938.0938 119322.5781 154469.9219 107056.1797 197635.1719 136170.8281 337103.0313 461398.7813 487842.1875 161908.4844 389865.25 337644.0938 312993.4063 170377.2656 142017.6563 236951.9688 317093.5 414920.625 276735.375 324702.75 417406.7188 266330.2188 267769.5313 476197.5 346274.7813 345338.5 405593.5313 333342.1875 360757.3125 406520.8125 167277.125 228310.2344 161572.1563 193416.1094 223201.8281 445937.125 350589.5313 327998.75 389478.4063 180543 315542.8125 156969.4844 238406.3594 301427.8125 409129.2813 114720.9063 371356.7813 148576.6406 353185.5625 344622.0625 480815.2813 205687.0156 343352.375 364619.7188 272076.4688 399836.9688 467373.9063 307190.4063 431791.3125 252402.5625 346477.9688 349992.875 480233.0625 225903.0469 126025.1172 135748.0156 85129.94531 347599.3125 146307.8906 314021.8438 306696.375 432584.3125 267587.9375 382415.5 476181.1875 193472.2344 412096.5 470111.625 392238 482047.4063 424917.625 156333.1875 172032.1719 391830.75 444865.375 405052.1875 475031.0625 SM(d34:2) 80383.32031 93010.5 125556.2266 89578.02344 93695.88281 104459.6328 92755.11719 101525.1016 115320.8828 78522.61719 97791.08594 115869.3203 62254.73047 135561.0625 87804.67188 85802.71875 115419.3672 102069.5703 67365.125 113955.5625 102340.4297 104107.5234 141359.2031 85786.60156 61432.28125 90839.46094 111507.0625 87638.3125 106072.7813 92444.4375 85700.28906 94315.6875 107178.2188 94080.95313 109113.4766 118075.1953 97712.91406 114929.7422 106244.4609 99343.53125 110452.3203 111544.0781 99969.35156 104814.1953 132255.4375 108131.9844 113792.3203 97182.21875 103921 98302.78906 115312.3594 69113.46094 82003.55469 117734.7031 74864.75 92400.99219 125642.8125 79997.22656 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319956.5938 443606.2813 301835.9375 482821.7188 426436.25 187598.4844 232077.6406 331398.4688 319392.8438 289364.9063 546456.875 194501.1719 293870.375 457344.1563 124815.5313 261038.0938 309353.0938 231759.125 288012.5625 466791.5 188118.2969 259979.625 363352.5625 196582.2969 200927 325998.25 232950.7344 306842.0625 345267.0313 195949.9531 257150.4219 373778.4688 249422.8438 326934.9063 516806.4688 156518.0938 289622.25 499581.125 210799.625 247929.3594 436089.9688 204366.6875 278078.7188 361114.5313 226931.9219 312502.4063 370378.9063 266290.8125 325425.0313 358755.5 SM(d36:1) 261537.1094 235182.9688 487757.5 373342.0938 308616.1563 535706.6875 268699.2813 271582.5 635774.8125 246163.2813 392579.0625 731436 331843.1875 337736.7813 420048.1563 369201.25 472751.0938 605395.1875 209166.6094 280062.0938 473809.3438 427468.8438 344443.625 537155.5 202414.6406 240363.5625 635724.75 215799.7969 195962.3281 615064.625 269508.0313 253318.2031 573168.75 263816.1563 242935.9688 468369.1875 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136337.0938 SM(d40:2) 133367.0156 132404.7188 177288.5 104108.125 109081.9297 170618.9063 148512.1094 98054.47656 233008.7344 104695.3594 129627.7266 247768.2656 98591.70313 155171.9844 134222.4375 192782.0938 161368.7031 195132.6563 96996.53906 115981.875 148317.4219 211716.6875 145938.4688 121732.2266 81889.09375 102145.0156 151815.0156 114733.5234 103858.7109 127153.8359 98300.60156 113445.7188 161343.7031 156587.7656 111404.4688 190818.5781 178664.2031 144750.4219 135375.125 140612.6719 127369.9844 132184.2188 164876.625 144057.2031 200632.2656 96694.3125 328687.9375 165167.2344 101736.8203 74647.39063 180745.625 118820.625 117353.1484 134202.9375 112568.5547 130599.4375 142825.5938 153077.5469 138874.0625 132904.75 101667.4609 157426.6406 108537.9375 123409.6172 135831.0156 201165.9063 123600.7344 223663.6094 133411.6719 212915.5156 163459.8594 206054.5781 99619.67188 116191.9609 149873.25 89727.32031 102834.0156 168277.6719 143131.1406 107895.3984 169480.1406 100830.7109 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85374.96875 90420.74219 28619.9375 62423.67969 133933.4844 98350.65625 68377.39063 135980.375 93588.17188 77102.92969 126605.9219 118063.8125 87451.90625 77394.71094 123680.1328 79114.8125 86217.84375 103354.1953 71832.64844 121298.7188 100037.2266 75814.75781 78175.55469 121023.0078 68852.03125 118201.4766 81669.05469 100204.375 94296.09375 108671.9766 95615.29688 93955.0625 111903.3984 126609.6406 93329.65625 109266.7266 SM(d44:1) 97328.3125 106723.4219 123455.4141 109740.8281 64662.91797 119330.3281 91803.67188 111729.2969 81705.90625 98177.77344 118227.5703 132453.9844 69433.35938 90409.21875 66385.3125 105255.8125 78560.54688 100111.625 17626.3457 69237.10938 95379.46875 118075.9766 104951.8281 118650.4453 76667.65625 109332.6094 122128.7031 83746.27344 93840.34375 92364.82813 72022.48438 60455.90234 118034.0859 109156.6016 101028.2969 121305.8984 123109.3672 105892.8281 140092.7813 67615.82031 72750.64844 113779.6406 107699.9141 122222.3594 95855.26563 105505.7109 62167.63281 111828.7031 135099.0938 71028.27344 106375.9922 111398.7734 89433.9375 125350.6953 84035.64844 94487.73438 128492.7813 98009.60156 124908.1719 95815.71094 46073.60547 67393.78125 28018.54102 69349.49219 90653.25781 139215.7031 83912.94531 91561.51563 81272.77344 77723.25 74128.72656 106974.8125 127478.0313 99024.23438 152816.7344 81463.51563 92699.17969 137508.6875 93394.04688 126147.5391 123900.8906 66241.42188 110774.9609 107464.3125 47069.73047 133742.1563 155664.3281 121757.4766 104083.8672 103697.5547 83086.59375 80235.30469 108723.0625 102464.2266 66166.67188 95565.89844 sn-glycero-3-Phospho-1-inositol 102892.8672 53809.65234 47340.83594 51440.65234 35555.16797 39174.69141 41970.84766 30580.55469 29521.07617 35131.11719 27870.92188 31940.56445 23566.88086 31072.58008 19736.23047 29093.60547 28975.91406 25754.50781 29550.57031 30321.67773 38277.98438 31090.33008 29278.39453 32728.14063 73473.82031 50742.96875 47554.3125 46936.25781 40611.19531 44230.8125 61598.13281 44089.72656 53221.32813 60415.69141 35733.41016 51469.16016 26365.60547 27203.80859 31822.41797 32518.49414 30926.12109 29000.10156 27218.35547 28957.45703 27153.10938 36849.95313 41466.63672 35854.38281 84702.39063 54896.02344 53437.24219 40496.56641 42281.98828 44572.67969 48133.28125 41891.75391 31368.04492 51297.28125 33990.26172 41950.78516 21806.73828 31169.70117 52202.14453 25824.08398 36607.36328 32584.70508 23783.2832 26279.43555 25978.83008 23571.20313 32529.94727 25072.99219 70966.15625 56276.75 46733.24609 61804.24219 44680.13281 46207.90234 45342.96094 35258.88281 35725.97656 36747.625 42792.25 35970.73438 25983.34375 34830.51953 22784.55273 24665.54883 34298.75 25231.07031 33624.23047 26576.81055 29736.2207 35610.60547 37389.93359 35358.00391 Suberic acid 340659.5625 371844.6875 266484.875 391648.5313 308096.8125 276758.0938 261974.75 256204.4063 368017.9063 292989.5 262007.7031 246990.5156 257166.7344 254133.4375 353250.7813 334110.9688 301903.5313 300263.3438 380818.75 347798.0313 332565.5313 377280.8438 291301 251098.5625 216850.9531 293661.5938 262223.4375 218103.2813 334510.2813 275907.0313 300101.4688 261955.2188 311423.5313 265166.0938 276459.3125 276426.7188 302150.4688 286204.9063 293675.7813 376442.7813 344054.5 239798.1563 351423.5 258721.0313 305226.1875 313769.4688 289355 234537.9688 285447.7813 287660.375 248207.2969 284238.5625 335373 295435.3125 260010.1719 264055.75 241676.1094 293041.4375 285554.2188 239291.7188 269942.625 303165.5625 339494.9063 265988.875 253960.3125 305697.3438 256463.125 333276.8125 251329.5938 309816.1563 321608.4063 268817.8125 281163.8438 287641.25 333877.7813 349183.6563 318581.5 240873.8125 286781.5625 334302.9375 279152.5625 274966.2188 412643.3438 270108.7813 378778.375 279941.9375 301654.3438 362410.4063 362917.4063 244401.0781 340886.0625 280983.9688 287912.5 325370.0938 305505.6875 321904.7813 Sucrose 83824.13281 84049.5 143578.4844 95754.03125 79037.01563 133907.5781 98003.67969 73874.84375 141560.8906 91860.23438 79108.70313 122578.5938 76761.82813 100460.0547 146622.7031 114633.1016 96002.35156 136362.5313 69831.95313 98010.16406 140164.5 119081.1719 136508.0156 120521.1172 75783.10156 84921.23438 151171.1406 76370.89063 77166.86719 116228.9766 82939.41406 71388.48438 187559.6719 93776.86719 82465.875 158820.8594 109480.5156 89375.375 144161.9688 126252.2266 150759.6406 128845.8594 104246.7734 75768.89063 124629.3047 102717.4453 93608.45313 121955.4375 93011.34375 80623.78125 132419.9844 63829.73047 85065.92969 161890.3594 77779.96094 79569.9375 126437.7656 87484.70313 75548.28125 166342.8438 52084.41797 116013.9375 206836.7188 69497.10156 94769.10156 128715.8906 94887.83594 128244.4375 125028.7344 97299.78906 121528.3828 130265.125 87858.32813 78047.51563 156496.3438 71264.4375 96697.42188 159431.5 91637.3125 78658.05469 120352.8906 78100.59375 86606.125 167411.6563 75815.11719 97139.42188 135262.0781 114442.375 99454.28906 154958.5156 87866.89844 303713.5625 185587.2813 101921.6797 93185.57031 179670.5156 Taurine 217555.0781 128906.0234 431430.5 245806.0625 118019.6641 402570.8438 225952.9375 121803.8516 464446.2813 208229.9063 107480.0625 610125.625 647224.5 490727.9375 895396.9375 632415 607453.9375 638225.125 602460.25 571229.875 610896.4375 461163.8125 534708.1875 667146.75 237410.8438 144425.0781 444835.4688 232999.7031 116882.7969 440235.2813 199597.1719 126945.0391 449878.0313 247698.5156 117458.2891 352743.0313 603036.625 752266.9375 870789.1875 623157.0625 476848 774895.5 626685.75 590970.375 750023.0625 511786.1875 539136.875 587214 207758.0469 117012.6016 555100.1875 179780.3906 114396.4766 464123.7188 211417.1719 109147.0391 344666.875 228177.4375 133873.5469 397216.9375 511230.2188 564289.0625 1065025.875 478739.4063 504698.375 669649.625 534019.625 626665.3125 645455.8125 549666.125 519591.8125 659757.9375 221326.6094 135001.8438 477308.5625 270972.5625 143659.875 488567.625 198172.0625 105579.6719 366404.9375 220286.2344 124809.2031 350779.5625 555772.375 573864.0625 860787.9375 599947.5625 678559.4375 804562.3125 505595.2813 557681.375 622730.5625 533269.6875 588264.625 583696.1875 Tetrahydropteridine 53462.07813 58381 58335.43359 71414.10156 43517.09766 77406.85156 61953.57031 65327.42578 94556.34375 64700.90234 81245.75781 104757.5703 46764.74219 112122.6484 81261.16406 63131.26172 56586.05078 114880.7578 47820.42578 78028.0625 26414.39453 43960.44141 74145.94531 83667.76563 39124.68359 65685.21875 77454.30469 52760.67578 102472.4531 71023.14844 55972.96094 108691.75 92073.07813 52280.36719 108858.7656 99954.6875 54265.37109 103991.0859 81223.49219 59947.89453 49175.83203 115672.5 48920.96875 115332.8125 105305.5 47209.01172 119062.3594 96648.71875 58319.51563 45776.64844 84814.02344 73090.67969 56057.11719 108753.4297 45786.91016 91733.28906 56870.69922 71303.42188 73285.83594 69021.66406 48392.32031 72427.19531 56992.14063 28179.14844 51027.07031 62830.30078 49805.66016 65107.25781 73479.99219 57073.88672 64048.73438 49933.05469 52188.07031 115712.6016 76580.03906 45183.45313 87820.84375 84108.67969 54378.16016 129382.0547 52316.60547 57237.73438 116657.6719 97906.25781 43887.46094 44455.42969 99154.94531 76556.95313 55387.62891 50032.53516 35665.38281 54968.35156 79896.14063 77632.9375 84149.28906 135280.5469 TG(50:1) 12739.71777 7880.515625 15140.50098 20419.23633 12412.21973 12388.77832 10439.16699 15109.00781 17296.875 14983.37305 8834.109375 10605.68848 0 0 3997.50708 6729.114258 0 0 3491.687256 0 10425.57324 4328.374512 0 5723.957031 8141.330566 11762.14453 9945.801758 28964.6875 16840.37891 23660.125 60674.26953 32425.57227 59793.86328 129184.3203 96701.39844 75916 4897.370605 0 6445.697754 12676.67773 0 8979.240234 9118.405273 0 4549.550781 7009.206543 5422.32959 4690.877441 16455.75781 10612.94922 14561.08496 19717.37891 11367.88574 17710.46875 23481.10547 11976.59863 16524.23438 25071.36523 10007.85254 15367.64648 4217.593262 7247.978027 0 0 7159.841797 5454.460938 3737.013916 0 3973.823242 9521.632813 0 4250.508301 14086.15039 12555.86426 10530.45898 18283.73242 14350.29785 22875.16016 38932.92578 15773.62695 16871.75977 34107.55859 14874.48828 15374.26758 2897.14209 0 4044.760498 6072.923828 0 7720.50293 4497.67627 0 6770.329102 4609.474609 0 4837.373047 TG(52:2) 29955.30859 20533.875 30701.58984 36077.31641 21296.64453 28650.64258 33334.27344 32133.6875 35750.54688 34496.73828 21919.0957 36015.30078 10971.96582 16746.10742 14579.97168 14219.07422 15228.49121 17328.46484 12895.47168 11644.18945 21233.29297 13825.75684 15466.10547 13329.95801 18815.24805 16746.04297 30173.89258 50975.08203 31285.21289 42842.29297 136115.75 61601.69922 101578.4844 370824.6563 161209.5781 203289.7969 13540.53223 13210.95508 14447.03613 36266.6875 13170.42285 17201.20508 17125.65234 13876.17578 13963.69531 16382.6416 15987.31055 15677.24316 33172.67969 21281.67188 26238.07031 35770.46094 27136.38477 41379.82422 60041.44922 23045.38477 31885.42773 84753.13281 25291.27148 39177.05469 16075.54297 15219.58496 12218.71484 9920.945313 14579.55957 19941.06641 8863.836914 13693.95703 14039.59961 17795.88867 13178.53809 12113.92188 19678.42188 19852.57813 22764.77539 46409.125 27239.03711 44403.79688 96166.875 29410.88477 37128.41016 98363.97656 43006.08594 63849.05078 10839.78809 20545.90234 17995.45117 13067.12109 12080.07324 12898.92578 13739.55176 13871.86426 14829.48926 17735.08594 16027.83887 17643.45703 TG(54:3) 16163.21094 15314.57422 19441.3457 27110.3418 19679.81836 21342.85352 23053.82031 21431.66602 28844.89258 28803.91406 16972.375 24863.42773 3035.575439 3478.7146 3664.550537 7468.929199 3947.873535 8507.201172 5879.125977 4363.017578 10932.94824 4384.760254 3941.962891 7129.998535 11641.1748 13453.01855 15401.75 48382.93359 20932.69727 32169.77539 97167.52344 41101.40625 77943.9375 202309.7969 139407.6875 124042.8438 11432.14063 7979.756348 7473.064941 17729.62109 7862.679688 8128.642578 10981.92969 7915.445313 7536.866211 8905.917969 8918.6875 7389.85498 18753.48633 13622.76074 16054.5332 26940.69531 24061.94531 30991.31836 49094.89453 29820.92969 30920.24805 77523.16406 18825.57227 27685.34375 10617.93457 6718.908691 4306.682129 4485.946289 10072.98438 10157.16406 3481.808594 7683.626465 7486.286133 14220.78223 4570.458984 7706.084961 20399.86328 12874.26563 16836.88672 30470.6875 22001.0293 31396.76953 75559.6875 31786.51563 36128.02344 85194.80469 35050.25 57227.87109 6694.791504 8486.398438 5808.134277 7545.581055 3771.578613 7288.653809 9672.293945 9460.162109 8342.540039 7428.32959 7282.922363 8547.948242 Thiamin 117833.7109 126277.3672 91159.3125 138957.2344 123105.6172 101706.3984 160950.5625 137937.8594 112047.0703 151531.4063 137036.6719 121451.0469 40609.72266 60453.99609 43766.60156 74502.54688 75781.60938 56749.66797 67177.35938 83067.41406 67721.46094 83464.07813 117986.5469 71159.32031 94442.25 109867.4609 77076.00781 80485.32031 102857.8594 75969.0625 117336.2969 139968.5781 78822.29688 215992.9688 127404.8281 107609.2266 56586.69922 59143.67578 43751.19531 63007.64844 90596.96094 65368.03125 68216.55469 87105.22656 61510.87891 111605.2734 105868.6875 61181.125 119574.6406 91664.51563 56780.01953 140377.4375 141972.5156 96576.19531 235713.2656 129391.0938 115004.8281 174799.9063 131787.1719 128327.8359 43646.07031 69110.5 61941.93359 48853.9375 78007.75 55873.84375 56548.32031 93574.6875 43114.30859 88723.17969 128933.1016 19499.83008 143119.9844 118132.2969 73235.33594 126354.8281 132273.7188 88657.16406 165784.7969 143014 83199.57031 140070.3438 154677.1406 82282.66406 51873.32031 70045.85156 38016.08594 65076.46484 86108.14844 59346.30078 68763.85938 111236.875 61679.53125 99162.61719 107617.375 80446.17188 Thiamin diphosphate 81116.85156 70881.625 85152.41406 119886.5 56661.28516 130316.6328 130477.4688 68065.4375 131289.5938 65353.41406 59183.96875 129085.7813 33938.94531 42046.80078 127760.9297 47954.42969 51017.76563 97163.96875 64032.40234 80079.45313 129077.2188 43404.43359 64845.71094 126827.8047 88381.71094 51649.82031 100098.5703 137803.7031 80810.17188 104872.4297 197099.0313 98201.96875 239591.8281 186613.5 166433.125 228037.5313 43445.12109 58057.59375 89126.32031 54811.83594 54325.09375 87092.35156 72523.48438 64963.42188 97744.33594 41885.74219 64266.37891 171783.2344 84463.4375 56047.89453 89732.53125 128868.5 55252.40234 103673.8281 173313 75437.25 118109.0781 168973.5313 76071.125 154780.2188 42265.83984 60039.6875 134262.375 49189.54297 65921.03125 89584.38281 47463.69531 71513.15625 123957.7344 40284.21094 67524.59375 100116.1094 119405.1484 49033.01172 116174.5625 138616.3281 85908.4375 148340.6094 205561.2656 112881.1094 155596.5625 187499.7813 99043.28906 152457.0313 55975.64063 54264.58594 63030.73828 42674.43359 48548.96484 64439.10156 47785.01953 82601.10938 118310.7656 49267.40625 61679.72266 107643.8828 Thr-Ala-Ala 182130.7656 129772.375 171573.7188 134258.5 100527.8438 130067.0391 118690.3438 106628.4453 137171.2969 93497.49219 112223.2031 143699.4063 97720.26563 132662.2188 96138.86719 125121.4688 125758.4609 117734.6172 105073.1328 133020.0156 128283.0781 152630.125 141963.7188 115447.4297 151479.7344 124922.5859 154364.0156 322552.3438 169511.9063 174791.6094 331090.75 170643.6875 222593.8125 386348.5 235135.5938 277423.5313 116061.8438 132617.9531 122716.2656 129319.25 146774.2344 112893.3359 129480.5859 129865.9844 121497.9141 134724.0156 148478.0313 104068.0234 172600.7031 133824.4531 189833.1563 134946.6406 108267.5859 127263.8125 164115.4844 111101.4844 141231.9063 154846.5625 116771.875 124971.1328 96400.75 128930.1406 208309.4531 110671.7422 120220.2969 119348.4453 121115.7188 166336.1094 108008.9609 85629.66406 132739.5625 108768.6484 154371.2969 129026.3438 172922.7188 162794.9375 112448.6016 135891.7813 200866.25 98048.3125 119497.4844 151545.3281 113930.5703 137664.5781 108825.7656 131768.5156 129922.2891 113821.0781 127884.9609 104827.9766 121440.0547 121822.4453 107670.8125 142853.6406 131825.7656 130790.6172 Thr-Ala-Pro 69136.55469 48120.43359 36684.82813 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 53835.875 38686.51953 37753.85547 66310.16406 35745.75 37708.05469 110023.1641 51803.19922 55703.53125 129957.2266 113034.0078 72686.84375 0 0 0 0 0 0 0 0 0 0 0 0 74621.92188 36205.71484 24646.64063 19233.45117 6291.134277 0 28549.40039 0 0 34292.64844 0 0 0 0 0 0 0 0 0 0 0 0 0 0 64589.15234 45423.76953 36367.52734 44700.96094 24445.23438 13069.60742 41977.22266 8208.49707 0 38498.16406 7322.464355 0 0 0 0 0 0 0 0 0 0 0 0 0 Thr-Asp 77708.58594 69961.82813 83450.40625 54052.46094 36475.75 36334.27734 40812.78516 30604.64648 27920.3457 31773.52734 43674.48828 29167.21289 33533.48047 33924.62109 58910.21875 26330.77148 31590.73633 52962.90234 35517.10547 29670.96289 59643.08984 42393.58594 37330.25781 52783.35547 76756.75 55547.99609 59337.30859 88287.72656 53436.81641 92940.0625 78346.625 75935.67969 100343.5703 58120.30859 71614.67969 66743.4375 35883.14063 27906.84961 42455.65625 26755.70703 27285.00586 54992.20703 25222.1543 38964.41797 50760.125 45642.88672 51387.6875 59973.41406 77682.52344 87038.45313 62578.48047 53559.18359 40868.30469 53801.86328 43174.94141 41867.73047 27833.13477 61300.84766 32093.29297 25250.0332 25420.89453 31996.55078 86908.16406 31130.04688 33050.45703 47703.55078 33225.15625 37818.00391 63486.78125 33962.35938 45926.29297 44001.73828 87581.10938 69320.07813 55176.68359 67481.1875 60415.625 45356.92578 47431.01563 36551.72656 35133.46094 31827.45898 48452.01172 23400.88477 32302.77344 32327.89453 40295.61328 39733.57031 33506.82031 50293.89063 37030.76953 37896.97656 52247.56641 44678.09375 43732.19922 56829.37109 Thr-Gly 127065.4141 114099.4922 103036.375 133587.4063 136039.0938 171274.8906 140410.75 112167.0234 176194.4375 124746.75 160954.6875 203920.5 109840.8906 156562.3438 165303.5781 130369.3281 127977.5781 169564 170373.5156 163096.4531 185230.0313 143297.6875 186144.625 158535.8281 114393.4141 139412.8125 122144.8906 117960.25 111464.7578 145746.1406 111834.1797 135772.0938 157718.7188 123947.0391 129186.1953 172874.5313 131941.4531 154581.4219 168193.8281 143889.9844 130159.1563 157755.1875 144829.0625 133297.4688 162803.25 155956.3125 204108.0781 165445.7344 105283.4375 104015.75 116224.2813 94347.67188 139107.3906 141559.6563 129655.9531 139561.1875 180108.5 125130.5781 141839.9844 171206.6094 128742.9219 124741.8125 235810.9063 127101.2109 163993.5781 175771.1875 119754.4063 143224.6094 165747.6875 139891.4375 182290.7656 163619.5156 130389.1484 128107.6172 119621.0938 125131.3438 112899.9219 165304.5625 114368.4844 129064.8594 146588.9531 123289.0156 141044.7656 193668.7656 119192.1406 108065.1641 151949.8281 122665.0313 118187.1797 144976.6563 141335.0625 165892.0781 175234.1719 157182.6406 183296.4844 174952.2344 Thr-Pro 168704.5938 119796.8203 108748.6328 4727.599121 5948.132324 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98854.74219 111415.9063 105737.7734 175589.1406 138204.8281 121976.7578 313887.125 166125.7656 215042.75 470069.75 333381.3438 244676.5938 0 0 0 0 0 0 0 0 0 0 0 0 201269 116620.7734 91379.34375 62357.96484 20622.00195 22461.22852 88819.60938 21077.7207 22609.17969 67933.55469 22698.95313 25580.46875 0 0 0 0 4327.368164 0 0 0 5819.50293 0 0 0 149741.9688 125000.9141 102049.9922 107308.7969 57985.25391 45394.31641 105502.5234 31978.625 21628.00195 70393.09375 26434.56055 25043.37109 0 0 0 0 0 0 0 0 0 0 0 0 trans-Hexadec-2-enoylcarnitine 90403.82031 35268.44922 169187.3125 67682.0625 21897.51953 160652.5469 102123.2891 35059.29688 153968.9219 49040.18359 65976.42188 105632.5625 143302.2031 199727.7656 189663.4375 141377.8906 229404.6719 173297.3906 141581.2188 197385.0781 138864 242654.2344 185831 120079.0391 44440.48828 35234.34375 129192.7891 69970.02344 37473.10938 147351.4688 39322.71094 68722.9375 173550.3594 72695.73438 80417.32031 104939.5938 129346.2578 265081.0938 157664 145926.1406 165863.0156 175403.1406 161986.5 271596.9063 144101.7188 213094.9531 138809.2813 122447.5938 80554.97656 0 125814.8125 43367.10156 37127.97656 123943.7969 53405.01172 40842.88281 127616.1641 50105.29688 44011.05859 104534.5469 112379.5547 177763.4688 410591.875 117846.0625 228162.6875 177366.9688 89228.71875 149415.6563 136381.2969 92562.49219 189740 127748.1094 78143.36719 51202.37891 124146.7422 63497.37891 56744.98438 166285.6719 81047.92969 73335.50781 117568.9922 36648.28125 57180.02344 139762.7188 158382.4063 163925.7188 184769.7969 168961.7344 193386.0156 143807.6719 158499.8438 164117.6563 124331.5547 170453.6875 207132.0938 185239.2344 Tributyl phosphate 647167.5 233453.1719 426109.9375 697051.4375 242486.0625 203646.1406 993837 363994.5313 224177.3594 532287 252761.5313 309056 39807.64063 362778.375 309571.5 484684.875 179510.5781 306914.5 309096.0938 163625.9375 128732.9766 48542.92188 172079.625 102729.0391 250847.9063 328050.9063 158192.3594 653740.4375 317247.8125 424024.8438 296453.875 232772.3906 196783.1094 553745 206993.2344 740993.1875 580489.75 390604.9688 114750.0078 237241.2813 480387.4688 72387.72656 197065.7969 272464.9375 247642.3438 477794.5625 328613.125 403085.375 828852.1875 540166.125 321926.4063 501003.6563 172398.4844 321610.0625 703923.5 381788 230667.75 650630.375 406138.7188 332732.7813 584469.4375 543179.125 283811.8125 102725.8438 275985.125 95275.77344 166564.2188 231943.4844 274661.5625 134774.4688 258294.625 236277.7969 570813.6875 245022.1875 522865.9688 446968.5625 279225.9688 238565.9063 809165.3125 354853.8438 253101.2031 432432.3125 225043.8906 434889.0313 170679.7969 143236.2656 537308.875 229207 175613.4531 147297.3594 939682.125 438953.3438 189483.2813 398565.1563 324471.4688 367310.3125 Trihexosylceramide (d18:1/24:1(15Z)) 139480.6875 137446.4531 80380.39844 130579.75 100456.6953 113421.125 85111.99219 163961.3281 103902.7109 123054.6172 272134.25 101903.5859 166546.9844 141301.8438 42844.02734 132863.6719 110886.3125 103277.1172 35561.04297 151218 88420.78125 191481.2344 97414.9375 78936.63281 82461.14063 97115.24219 88109.09375 111393.7344 83941.75 84605.46094 85890.53906 140797.4844 77699.35938 142555.625 113091.8203 106431.5703 149193.7813 204626.6406 107625.0234 208533.6719 133596.3594 90838.03125 74332.51563 169951.4375 106044.0313 156681.1719 37226.61328 80828.74219 165336.8281 154250.1094 130312.1016 57664.75781 187815.6406 78805.45313 124191.8125 194380.0313 83093.375 93806.89844 161456.2031 95714.86719 76485.32813 168103.2813 0 116762.9844 192240.625 49894.10938 116250.9297 136437.2656 68908.20313 190734.2031 199062.0156 149994.0625 140044.6406 88564.75781 63713.60938 69320.09375 130963.3984 123859.3203 136858.9375 179149.4375 112386.4688 102520.8984 88747.9375 92387.82031 67271.0625 166839.4688 112181.6016 100666.9063 204897.1875 80026.05469 91603.1875 160955.1563 72168.15625 196152.4063 106967.6719 58388.46484 tropine 119970.7109 121271.3281 132876.5625 136365.1563 76289.07813 88852.88281 114918.9922 75843.625 78061.88281 58822.59766 120026.3672 98797.98438 87451.60156 87787.21875 73712.05469 61342.72266 127385.375 66198.58594 54553.5625 64821.14453 76553.16406 96034.83594 73088.74219 70552.46875 76473.08594 75396.36719 158197.5938 77451.51563 122709.3281 94378.10156 88526.59375 106003.1094 59476.51953 82721.875 65409.49609 116849.1484 59883.61328 128283.3594 58239.68359 101541.0938 134834.3281 116486.3359 11754.76367 132246.1875 136659.0156 89621.26563 90055.78125 79388.23438 121404.2422 89690.38281 128215.0156 41746.11328 82387.54688 99022.39063 47021.40625 65860.24219 72492.83594 119772.9844 128743.5234 91977 65362.36719 78490.27344 68405.90625 50023.24219 78373.32813 68301.35156 99554.75 58158.25391 83774.47656 89963.5625 113398.8203 80421.375 159340.9688 52005.69141 70992.16406 55239.55469 57663.74609 115875.0156 55962.26953 117222.1953 87327.21875 30219.36133 68402.23438 111110.8594 51030.04688 110754.5703 92522.82031 80528.78906 62652.98828 84974.28906 109842.6953 85082.28906 109407.1484 73208.14063 76459.96094 160436.7969 Trp-Cys-Gly 29711.66797 21635.61523 72474.55469 39121.81641 29247.21289 39062.68359 23002.00781 36294.33984 49269.80078 26510.60156 24232.03906 45020.48438 23698.00195 53027.34766 33160.25781 30392.82227 41134.83203 50003.54688 32856.15234 35551.78516 46885.60938 29231.32422 33566.32422 48519.5 16464.57617 16741.41016 34815.94531 18191.49805 26187.10938 34581.64453 24212.81445 26865.44531 44805.13672 19282.76367 24703.29492 37585.99219 29715.80273 30330.79102 47488.07422 30988.6582 42187.33594 37342.11328 34320.51953 34311.83594 47864.23047 35113.99609 50617.80859 39796.60547 23912.12305 35552.39844 43500.94531 18915.53125 23918.73828 38935.53516 27802.56055 35307.32422 42910.54688 29947.08203 24118.13086 51092.61328 25854.15625 45865.87109 108085.0625 26611.03906 37746.92188 45232.48438 27130.96875 32522.18945 48782.66797 19200.72266 44108.91797 48150.32813 26795.66992 36478.64844 42115.03906 22769.92578 28990.32617 51462.10156 30365.18555 27379.12695 32297.82813 26617.92773 20892.63477 46533.58203 23702.25781 41794.89063 46856.38672 36751.22656 41348.96875 45646.64063 34898.44141 28602.21289 44286.10547 32419.79492 38370.23828 50919.92578 Tussilagine 43203.60156 40584.71094 78069.89844 53637.49219 43953.16797 77040.94531 41390.66016 54277.24609 65125.01953 35226.97266 24757.75781 92311.45313 54234.05859 70079.23438 79668.14063 67976.74219 74978.27344 77286.42969 63365.42969 85650.96875 75947.33594 47833.36719 85909.24219 79761 47262.37891 30482.33789 75607.80469 54101.71094 36379.20703 60530.01172 47509.81641 39690.05469 76461.90625 73058.34375 31196.48242 74269.96094 72190.05469 71203.33594 87841.82031 80633.67969 68186.78906 89658.21094 86261.07031 84767.00781 86290.89844 66030 127018.8203 96399.45313 41941.29297 39933.33203 69951.08594 45871.25391 45311.99609 46321.08984 58195.75781 55969.57422 69633.01563 55898.4375 48616.53516 86609.89063 65671.55469 61821.72266 141099.7031 66531.58594 71456.49219 85638.69531 71184.61719 77520.46094 63336.30469 61976.16016 81116.64063 60792.375 49743.75781 30068.22852 65180.48438 42620.92188 54465.12891 70174.11719 30285.13867 30724.86133 52207.92188 66496.39844 38908.48047 90619.57031 48589.58203 105560.3359 93030.20313 100128.2109 77322.16406 70729.73438 62366.0625 98653.52344 83737.61719 79083.375 94598.63281 81277.46094 Tyr-Tyr 106071.7031 75130.6875 87389.76563 77493.82031 106691.8906 81158.75 76482.94531 124452.8828 101710.5625 89633.65625 80209.54688 102572.3047 72546.67969 137409.9531 90770.96094 79475.5 123459.4609 67142.23438 68365.14063 97070.22656 113844.1328 57009.75 72702.25781 99235.85156 49511.87891 89707.48438 72978.40625 91972.4375 109106.0156 85774.61719 75882.41406 84484.875 104278.6328 90635.75781 77836.75781 96656.39063 97681.14844 85010.80469 106076.6172 76845.60938 105362.75 80046.41406 107981.0625 123531.2344 103892.2266 87304.39063 73156.14063 75194.72656 130141.5469 74071.75781 86095.38281 79077.95313 150318.3125 75384.05469 82759.10938 91903.10156 99301.71875 86579.17969 86275.41406 116644.6563 49842.35547 116631.6328 142425.4219 90197.21875 130403.2266 109036.0469 94049.42188 130446.8203 65776.10938 74483.0625 90926.57813 99419.22656 67825.71875 94469.48438 87324.60938 67058.27344 115159.2109 70663.23438 121297.9922 84205.60156 101339.1016 63879.8125 84452.46094 105132.5 43507.96094 126018.8984 110610.1875 101285.7969 136441.2031 67904.71094 108472.7031 84230.50781 99940.24219 102948.3672 81985.79688 95439.63281 UDP 361428.9063 342276.875 345774.5 457844.2813 361789.2813 305388.25 559167 332849.7188 364544.1563 385432.1563 320446.3438 334926.8438 340742.625 371240.5313 337163.2188 432593.1875 404779.4688 281952.8125 429861.4063 435586.375 314090.5625 426249.2813 406387.5938 245513.8438 404146.4375 245635.5469 308668.25 409410.4063 357338.2813 421260.4688 416741.5 396744.5938 375177.7188 437868.4688 462218.2813 408573.5625 367047.0938 388309.9688 233789.2031 492144.4063 424880.5 287314.5313 384021.7188 411620.125 289358.0313 526777 480791.625 287535.125 385021.75 304036.8438 330763.4063 362721.7188 342056.625 333436.125 433872.75 358010.125 327010.5625 429643.5625 383050.4063 343678.2813 366755.0938 438369.875 389703.5625 392652.0938 492726.4375 241471.0938 384707.3125 445270.0313 280023.4063 388717.9063 463667.6563 250030.1094 346253.5 324463.25 315591.5938 416823.3438 343901.9375 339271.4063 506561.4375 381482.5938 356172.7188 464985.0938 416103.2188 368600.4688 400905.875 401178.5938 218927.3438 494932.9375 433024.25 256651.4531 410481.3438 458199.9375 288316.7813 395152.3438 447859.125 258169.1406 Val-Ala 113172.4219 206037.7188 212625.1563 172810.5313 177539.8125 222660.6406 135335.5625 161849.5 211454 109549.7656 253506.0313 308145.9375 55673.24219 54347.14453 105816.6406 102221.0781 116481.9531 158256.8281 89687.64844 88948.39844 341918.3438 86701.48438 89481.13281 161849.8125 117546.8906 168641.0313 193720.3438 163305.1406 189935.4375 200113.7188 137771.2031 214640.625 153897.2969 116110.6172 236616.3438 167285.4375 47604.64453 60491.72656 106635.8594 107984.3125 107165.8281 195763.7969 91126.14063 97101.59375 156205.625 65274.57031 108125 131023.2422 88918.85156 147272.5469 184438.4844 137723.0313 185473.5 195653.9063 151548.3125 213696.5781 196652.9375 137442.8594 171196.0938 201393.1563 38748.51953 43568.42188 157530.1719 85018.69531 95645.75 173013.5156 73421.39063 97569.07813 143350.8438 63342.53906 84256.69531 115661.5391 103349.3672 168863.6406 186402.9844 144270.9219 286769.4688 282490.2188 153290.6563 171470.6406 178828.8438 95402.32031 163420.3906 176393.2344 54724.98438 55588.26563 115767.3203 88794.89844 125385.7266 201666.5469 77619.91406 120231.2813 184269.9844 97416.73438 113633.2891 165889.6094 Valeroidine 698413.5 785158.3125 738604 867596.25 797599.0625 806182.5 866274.3125 788356.5 722739.3125 979281.1875 852398.6875 690501.9375 805551 813002.125 802869.3125 886327.75 732082.375 696633 846244.5625 728864.1875 803655 756725.875 760972.5625 641376.9375 662238.8125 799115.375 717802.25 790529.1875 859230.125 644738.9375 781439.6875 847998.25 762451.875 848984.25 812742.1875 741439.625 828600 791965.0625 743950.375 834563.125 824065.4375 786909 956056.6875 613497.25 542826.25 823858.4375 803768.25 642608.125 835512.625 774731.625 805962.6875 764594.1875 821908.875 951870.5 877599.4375 853594.8125 689968.1875 762926.9375 750601.1875 666132.25 879857.125 915659.3125 863079.3125 614896.4375 784690.8125 838433.125 767446.3125 833670.8125 743624.1875 793055.5625 829234.8125 628026.125 806784.4375 802952.75 812706.9375 762595.25 839018.9375 684930.875 819703.4375 763058.4375 651839.5625 751865.5 817870.625 763397.0625 775098.875 813823.875 933571.625 824755.1875 727395.6875 737048 895485.875 844744.8125 790671.4375 872600.875 765891.375 730371.3125 Vicine 50900.67578 47892.58203 91759.76563 50592.07422 40363.98828 83090.14063 56938.30859 41396.37891 76169.98438 47215.5625 44305.13281 104824.8984 52118.9375 77311.17188 98587.875 68739.75 83032.41406 92328.29688 68787.54688 70507.9375 88962.22656 66176.96875 86674.50781 99830.19531 53702.80859 39727.45703 65290.62109 37140.53906 41273.33594 76163.96094 47745.84375 37650.83594 84729.92969 41949.23047 40483.59766 78134.75 67621.64063 65549.61719 86709.375 56938.92969 87048.98438 101689.5781 66594.78125 56180.46094 68887.76563 103628.0703 75740.75781 80937.32813 44669.60938 40014.78125 81691.32813 51167.74609 41038.22656 85672.51563 52081.25781 55052.95703 75440.23438 72030 37521.33984 102223.6719 78322.40625 63282.12891 139171.0625 56652.51172 67682.91406 77604.54688 52175.55078 70835.3125 88070.00781 55805.4375 90067.14063 93246.79688 44834.74219 42269.19141 79239.34375 59094.32813 43401.53125 90645.39063 57426.12109 42560.72266 87314.07813 35949.32422 35887.23047 73006.8125 60136.97656 85048.6875 66254.4375 61365.49219 71953.98438 79158.83594 63424.30859 59771.97266 75304.57813 66852.78906 82017.03906 96608.69531 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention time mass KEGG ID HMDB ID Lmid InchiKEY gamma-thiomethyl glutamate 14.56681882 193.0409671 (-)-Hygroline 28.51320861 143.130977 C10152 CWMYODFAUAJKIV-HTQZYQBOSA-N (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol 28.10781182 293.1990147 C04875 LGXDICLRWHYEIS-UHFFFAOYSA-N (1R,4S)-fenchan-2-one 4.259011579 152.1200233 LMPR0102120031 (24R,24'R)-Fucosterol epoxide 4.086756691 428.3656759 C03910 LMST01040151 XUBCLKHKJZCPFZ-UMKPQZCOSA-N [FA (5:2)] 2,4-pentadienoic acid 15.7240784 98.03676954 LMFA01030099 SDVVLIIVFBKBMG-ONEGZZNKSA-N [FA hydroxy(18:0)] 9,10,12,13-tetrahydroxy-octadecanoic acid 28.16542801 365.2774806 LMFA01050105 VJOGZGLNDROOFS-UHFFFAOYSA-N [FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid 4.392085587 311.2460099 C04780 LMFA02010007 BZXZFDKIRZBJEP-JMTMCXQRSA-N [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 12.43107228 145.073886 C03656 HMDB12131 LMFA01060173 FAASBXNEOGMQHS-BYPYZUCNSA-N [Fv hydroxy,methoxy,methyl,acetyl(5:0)] 3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) 12.72547124 668.172908 LMPK12120179 CXLJITRXRSNEQL-VHNCEHAZSA-N [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 4.735890771 481.3535602 C13903 LMGP01060012 VLBPIWYTPAXCFJ-UHFFFAOYSA-N [PC(18:3)] 4.712545024 517.3165752 LMGP01050037 MRTUWVDDQVMUCR-YOILPLPUSA-N [PC(19:2)] 1-(1Z,12Z-nonadecadienyl)-sn-glycero-3-phosphocholine 28.40145484 519.3696444 LMGP01070010 ITLVMQFDCUMMDK-KAAGFHBGSA-N [PR] (-)-alpha-Bisabolol 28.21721071 239.2247924 C09621 LMPR0103060001 RGZSQWQPBWRIAQ-CABCVRRESA-N [PR] Farnesyl pyrophosphate 10.74672841 382.1310197 C00448 HMDB00961 LMPR0103010002 VWFJDQUYCIWHTN-YFVJMOTDSA-N [SP (14:0)] 1-deoxy-tetradecasphinganine 7.817877647 229.2405332 LMSP01080033 WMUMHAZHWIUBPN-UONOGXRCSA-N [SP (14:0)] N-(tetradecanoyl)-1-beta-glucosyl-sphinganine 10.91374516 695.5306279 LMSP0501AA28 SCBSLJVBXYHZPZ-ISTDJTIDSA-N [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 4.841453893 537.5126429 C00195 HMDB04949 LMSP02010004 YDNKGFDKKRUKPY-TURZORIXSA-N [SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine 4.681493129 840.7079358 LMSP03010009 YXEXWUZHFGYOHJ-UOJCCMJYSA-N [SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol 4.293050976 287.2459592 LMSP01080049 SEUBYHFHBZVRCC-QGAIPKOMSA-N [SP] Pramanicin 22.3919828 386.2417773 LMSP01080048 BOWRHOKHYKPEAR-YRMVZDNFSA-N [SP] Sphing-4-enine 4.887708808 299.2823336 C00319 HMDB00252 LMSP01010001 WWUZIQQURGPMPG-KRWOKUGFSA-N [SP] Sphinganine-1-phosphate 7.859941624 381.2642408 C01120 HMDB01383 LMSP01050002 YHEDRJPUIRMZMP-ZWKOTPCHSA-N [ST Trihydroxy,ox] 3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid 28.48290542 422.2676214 LMST04010262 MUKLYGDZYBKLNY-KKJTVWOLSA-N [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 5.138406107 368.3443054 LMST03020618 FXKMDILIEQILCA-VDVRBEGSSA-N 1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine 4.671066757 507.3693372 LMGP01060034 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 3.746883679 602.5270134 LMGL02070004 QCHBHNNYXGOTCL-GXJVVETESA-N 1-(O-alpha-D-glucopyranosyl)-3-keto-(25R,27R)-octacosanediol 28.37563759 618.4711818 LMFA13010023 RNTKVHFMPKUBEV-UOYNGNGWSA-N 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one 7.965275811 162.0350212 C15606 HMDB12134 CILXJJLQPTUUSS-XQRVVYSFSA-N 1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha- D-mannosyl-1,2-alpha-D-mannosyl-D-mannose 17.37363026 891.2837602 C04923 JMTBNWRTXSLTIC-CDJUDSBSSA-N 13-14-DihydroPGF-1a 4.199466431 375.2984664 HMDB05076 WMHAOJIJVNDMKA-BRIYLRKRSA-N 1-4-beta-D-Glucan 3.878137092 536.1591186 C00760 HMDB06944 LRQOQMWIEDQCHM-XCJASTIHSA-N 2-(acetylamino)-1-5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 14.81106136 365.1321244 HMDB02278 SXLFMZWGFIBWMJ-QTGWYDPFSA-N 2(alpha-D-Mannosyl)-D-glycerate 14.72938857 290.0614585 C11544 DDXCFDOPXBPUJC-SAYMMRJXSA-N 2,3-Dimethylmaleate 15.15649795 144.042257 C00922 CGBYBGVMDAPUIH-ARJAWSKDSA-N 2,4-diamino-6-methyl-5,3'-(2-trifluoromethylphenoxy)prop-1'-yloxypyrimidine 16.46391113 381.0936418 2-Amino-2-deoxy-D-gluconate 12.390852 195.0744037 C03752 UFYKDFXCZBTLOO-UHFFFAOYSA-N 2-amino-2-deoxyglucitol-6-phosphate 14.73609396 261.0613108 LBNVXZROMBUNNQ-UHFFFAOYSA-M 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 12.02237043 191.079452 2-Amino-9,10-epoxy-8-oxodecanoic acid 12.74097911 215.1158217 C12027 LMFA01060176 PFDHVDFPTKSEKN-JAVCKPHESA-N 2-Aminoacrylate 15.55263063 87.03203452 C02218 HMDB03609 UQBOJOOOTLPNST-UHFFFAOYSA-N 2-Aminophenol 27.84683339 148.0159771 C01987 CDAWCLOXVUBKRW-UHFFFAOYSA-N 2-chloro-3-methyl-maleylacetate 17.64962851 205.9980993 2-Ethylhexyl phthalate 28.23343015 278.1516956 C03343 HMDB13248 DJDSLBVSSOQSLW-UHFFFAOYSA-N 2-Methylbutyroylcarnitine 8.196922913 245.1627535 HMDB00378 IHCPDBBYTYJYIL-UHFFFAOYSA-N 2-S-Glutathionyl acetate 16.15329505 365.0893624 C14862 WBINJBFJLWYSJZ-BQBZGAKWSA-N 2-trans,4-cis-Decadienoylcarnitine 27.85929141 311.2095679 HMDB13325 3-(4-Hydroxyphenyl)lactate 27.85997635 182.058023 C03672 HMDB00755 JVGVDSSUAVXRDY-UHFFFAOYSA-N 3,3',4',5,7-Pentahydroxy-8-methoxyflavone 14.54782582 332.0530692 C04527 LMPK12113234 ZASFHSAGASJGRN-UHFFFAOYSA-N 3,4-Dihydroxy-L-phenylalanine 4.983171966 197.0688735 C00355 HMDB00609 WTDRDQBEARUVNC-LURJTMIESA-N 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 4.231579198 190.1721594 LMFA11000055 PEQDBIZKCMKPKU-VTCWLERASA-N 3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol 4.914059376 309.3031098 LMFA05000210 ZKWFMIAGZQACFE-NWLVNBMCSA-N 3-beta-D-Galactosyl-sn-glycerol 13.70565342 276.0820409 C05401 HMDB06790 NHJUPBDCSOGIKX-NTXXKDEISA-N 3-Butylidene-7-hydroxyphthalide 28.24228064 204.0787216 C09921 XLFDJKJEYMKLJX-YFHOEESVSA-N 3-Deoxy-D-manno-octulosonate 8-phosphate 15.60364494 335.0616315 C04478 RTNBXJBOAIDPME-SHUUEZRQSA-N 3-Methyl-2-oxobutanoic acid 12.6661393 116.0473482 C00141 HMDB00019 LMFA01020274 QHKABHOOEWYVLI-UHFFFAOYSA-N 3-Methyleneoxindole 11.55962333 145.0527324 C02796 IGXUUWYVUGBMFT-UHFFFAOYSA-N 4-Amino-5-hydroxymethyl-2-methylpyrimidine 7.632237103 139.0745197 C01279 VUTBELPREDJDDH-UHFFFAOYSA-N 4-Aminobutanal 10.48599319 87.0682618 C00555 HMDB01080 DZQLQEYLEYWJIB-UHFFFAOYSA-N 4-Aminobutanoate 12.42204659 103.0633366 C00334 HMDB00112 LMFA01100039 BTCSSZJGUNDROE-UHFFFAOYSA-N 4-Heptyloxyphenol 7.848887654 225.1729751 C14236 HZBABTUFXQLADL-UHFFFAOYSA-N 4-Hydroxy-4-methylglutamate 12.64039502 177.0637932 C06034 ONTAOGAXMOTXQW-DZSWIPIPSA-N 4-Oxocyclohexanecarboxylate 28.19140323 142.0629531 C03767 OWLXUYGCLDGHJJ-UHFFFAOYSA-N 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide 10.43154526 537.1119361 LMPK12112942 CHIQYVBCRPLTQS-IBIMWZLVSA-N 5-Acetamidopentanoate 12.56342678 159.0895708 C03087 HMDB12175 TZZSWAXSIGWXOS-UHFFFAOYSA-N 5-Guanidino-2-oxopentanoate 14.13336091 173.0801086 C03771 HMDB04225 ARBHXJXXVVHMET-UHFFFAOYSA-N 5-Hydroxy-L-tryptophan 10.77649248 220.0847443 C00643 HMDB00472 LDCYZAJDBXYCGN-VIFPVBQESA-N 5-Nitro-2-(3-phenylpropylamino)benzoic acid 4.745073648 300.1108854 C13705 WBSMIPAMAXNXFS-UHFFFAOYSA-N 6,7-Dimethyl-8-(1-D-ribityl)lumazine 12.83120704 326.12261 C04332 HMDB03826 SXDXRJZUAJBNFL-XKSSXDPKSA-N 6-Acetyl-D-glucose 14.10226253 222.0739708 C02655 ILLOJQCWUBEHBA-JAJWTYFOSA-N 6-Hydroxyl-1,6-dihydropurine ribonucleoside 14.6564447 270.0963429 C04583 WGRXVKRHIMUTPD-AFPKLJJXSA-N 6-Imino-5-oxocyclohexa-1,3-dienecarboxylate 15.60828168 173.008986 C04584 BQEPLNUEGNSUTM-UHFFFAOYSA-N 6-methyltetrahydropterin 10.19581853 181.0963744 HMDB02249 HWOZEJJVUCALGB-UHFFFAOYSA-N 6Z,9Z-Eicosadien-11-ol 4.83777559 311.3187442 LMFA05000532 HLRILOHBDLRFQX-OHNCOSGTSA-N 6Z-Tetradecene 7.854825652 213.2456679 LMFA11000089 BIODCQQZTGWGNH-QBFSEMIESA-N 9-oxo-11R,15S-dihydroxy-16,16-dimethyl-13E-prostaenoic acid 5.375687929 399.2986443 LMFA03010057 RQOFITYRYPQNLL-ZWSAOQBFSA-N Adenine 9.661480957 135.0544722 C00147 HMDB00034 GFFGJBXGBJISGV-UHFFFAOYSA-N Adenosine 9.17930775 267.0967079 C00212 HMDB00050 OIRDTQYFTABQOQ-KQYNXXCUSA-N Ala-Ala-Ala-Ser 17.78479578 318.1538342 Ala-Ala-Gln-Ser 7.83897227 375.1748268 Ala-Asp 15.65554391 204.0746241 XAEWTDMGFGHWFK-IMJSIDKUSA-N Ala-Asp-Cys-Ser 17.1220869 394.1158232 Ala-Asp-Ser 15.55091411 291.1065889 Ala-Glu-Glu-His 15.24980213 484.1920728 Ala-His 14.76440172 226.1066701 XZWXFWBHYRFLEF-UHFFFAOYSA-N Ala-Leu-Asn-Ser 27.86657744 403.2063292 Ala-Leu-Gln-Ser 27.87344303 417.2219873 Ala-Leu-Trp-Ser 4.7653941 475.2433539 Ala-Lys-Ala-Arg 7.837979684 444.2810175 Ala-Lys-Asp-Gly 27.86080007 389.1907041 Ala-Lys-Asp-Pro 14.71401082 429.2224427 Ala-Lys-Lys-Asp 14.1951682 460.2647865 Ala-Phe-Arg-His 4.767400654 529.2752871 Ala-Pro 11.36470542 186.1005316 WPWUFUBLGADILS-WDSKDSINSA-N Ammodendrine 4.897927525 208.1575789 C10125 APKLQIQRPUDADG-GFCCVEGCSA-N Antheridiogen-An 14.63952408 360.1578329 C09062 MALNZFMESUARAT-HGJZFELWSA-N Apigenin 7-(6''-malonylglucoside) 15.10330321 518.1070139 C10020 LMPK12110373 JXWAQRJFONLTSI-ASDZUOGYSA-N Arg-Asp-Asp-Gly 16.96354814 461.1872425 Arg-Glu-Ile-Val 28.40352051 532.3339111 Arg-Lys-Val-Ser 7.837739803 488.3074617 Asn-Asp 15.56326313 247.0804369 Asn-Glu-Glu-Ser 3.912186099 477.171008 Asn-Gly-Tyr-Tyr 28.39400863 515.201528 Asn-Leu-Gly-Ser 7.834341513 389.1904822 Asn-Leu-Pro-Pro 10.8212592 439.24312 Asn-Lys-Gly-Pro 15.44561984 414.2227122 Asn-Pro 13.66761374 229.1062949 Asn-Thr-Asn-Asn 17.80954567 461.1871713 Asn-Val-Gly-Ser 27.85406671 375.1750302 Asp-Arg 16.42124622 289.138529 Aspartyl-L-proline 15.11830926 230.0906635 HMDB02335 UKGGPJNBONZZCM-WDSKDSINSA-N Asp-Gly-Arg 17.66959627 346.1600442 Asp-Leu-Lys-Asp 13.98591654 489.2436778 Asp-Met-Gln-Gln 14.14055049 520.1956222 Asp-Val-Pro-Ser 10.08192992 416.1906838 Benzene-1,2,4-triol 15.32550291 126.031663 C02814 GGNQRNBDZQJCCN-UHFFFAOYSA-N Betaine aldehyde 27.9724366 101.084095 C00576 HMDB01252 SXKNCCSPZDCRFD-UHFFFAOYSA-N Biotin amide 10.56221879 243.1038793 C01893 HMDB01458 XFLVBMBRLSCJAI-ZKWXMUAHSA-N CAPS 9.173562701 221.108591 PJWWRFATQTVXHA-UHFFFAOYSA-N Cathasterone 17.30297239 454.3427044 C15790 JSVPGVHCEQDJCZ-UCGQCVSHSA-N Cer(d40:1) 4.950523734 621.6057629 HMDB11766 AOHMXFJFQLUIJL-RDUWXOKWSA-N Cerulenin 14.45105605 223.1208651 C12058 GVEZIHKRYBHEFX-NQQPLRFYSA-N CHAPS 9.166676892 614.3961375 C11321 UMCMPZBLKLEWAF-BCTGSCMUSA-N Cholesta-5,7-dien-3beta-ol 5.064383823 384.3393085 C01164 HMDB00032 LMST01010069 UCTLRSWJYQTBFZ-DDPQNLDTSA-N Chrysoidine free base 4.758208917 229.1326637 C14617 IWRVPXDHSLTIOC-FOCLMDBBSA-N Cinchonain 1a 14.32854505 469.1366643 C10217 LMPK12020084 LKCOZWLUAKSRQM-UMAWSMADSA-N cis-1,2-Dihydronaphthalene-1,2-diol 28.23286454 162.0680401 C04314 QPUHWUSUBHNZCG-VHSXEESVSA-N Citrate 17.73439889 209.0536108 C00158 HMDB00094 KRKNYBCHXYNGOX-UHFFFAOYSA-N CMP 16.23454914 323.0517555 C00055 HMDB00095 IERHLVCPSMICTF-XVFCMESISA-N Convicine 17.92315489 305.0858542 C08430 JJWYIMQKLTVAGZ-SYCVNHKBSA-N Creatinine 9.805680654 113.0589137 C00791 HMDB00562 DDRJAANPRJIHGJ-UHFFFAOYSA-N Cumene 4.232867346 120.0938347 C14396 RWGFKTVRMDUZSP-UHFFFAOYSA-N Cyclic ADP-ribose 14.0894628 541.0613822 C13050 BQOHYSXSASDCEA-KEOHHSTQSA-N Cys-Met-Cys-Tyr 3.875294408 535.1585836 Cytidine 13.68997316 243.0855314 C00475 HMDB00089 UHDGCWIWMRVCDJ-XVFCMESISA-N D-4'-Phosphopantothenate 14.91268136 299.0768872 C03492 HMDB01016 XHFVGHPGDLDEQO-ZETCQYMHSA-N dCMP 15.18694308 307.0569272 C00239 HMDB01202 NCMVOABPESMRCP-SHYZEUOFSA-N decanamide 28.57515381 171.162293 LMFA08010005 TUTWLYPCGCUWQI-UHFFFAOYSA-N Decanoyl-CoA 14.18257326 921.2524858 C05274 HMDB06404 LMFA07050022 CNKJPHSEFDPYDB-BOJFXZHGSA-N Dehydrophytosphingosine 28.25783555 315.2771515 LMSP01030002 CQKNELOTFUSOTP-HMTIOLNVSA-N Deoxycytosine 7.72091722 97.06401507 C02026 WKKCYLSCLQVWFD-UHFFFAOYSA-N D-Fructose 1,6-bisphosphate 18.7131462 339.9959875 C00354 HMDB01058 RNBGYGVWRKECFJ-VRPWFDPXSA-N DG(34:1) 3.881753853 611.5487828 LMGL02010004 GSEVZLBSIOIEFK-AAOCECEDSA-N DG(36:1) 4.669867407 639.5802741 C00165 HMDB07160 LMGL02010043 SAEPUUXWQQNLGN-LVVMQYBKSA-N DG(36:2) 4.991277587 637.5645931 C00165 HMDB07218 LMGL02010049 AFSHUZFNMVJNKX-LLWMBOQKSA-N D-Glucono-1,5-lactone 13.20764622 178.0477786 C00198 HMDB00150 PHOQVHQSTUBQQK-SQOUGZDYSA-N D-Glucosamine 16.33616206 179.0794163 C00329 HMDB01514 MSWZFWKMSRAUBD-IVMDWMLBSA-N D-Glucosamine 6-phosphate 15.63062724 259.0456976 C00352 HMDB01254 XHMJOUIAFHJHBW-IVMDWMLBSA-N D-Glucose 6-phosphate 16.51339816 282.0116074 C00092 HMDB01401 NBSCHQHZLSJFNQ-GASJEMHNSA-N Dibenzo[1,4]dioxin-2,3-dione 16.0529082 236.0086666 C03861 OEZWQQMRIGCJRU-UHFFFAOYSA-N dibenzothiophene-5-oxide 11.71448413 200.0297675 NGDPCAMPVQYGCW-UHFFFAOYSA-N Dihydrochelirubine 14.02858109 363.1100683 C05194 JPXUJRDPZQUCNV-UHFFFAOYSA-N Docosa-4-7-10-13-16-pentaenoylcarnitine 4.510786687 473.3507302 HMDB06321 KRXOUZZWQXTUIB-IDERWEGCSA-N Dodecanamide 28.61011937 199.1936362 C13831 LMFA08010001 ILRSCQWREDREME-UHFFFAOYSA-N D-Sedoheptulose 7-phosphate 16.00750002 290.040206 C05382 JDTUMPKOJBQPKX-UHFFFAOYSA-N Ectoine 12.94556569 142.0742136 C06231 WQXNXVUDBPYKBA-YFKPBYRVSA-N Elaeokanine C 4.787395179 211.1572648 C10592 JWTAWEGUCCQPAM-USWWRNFRSA-N Epigallocatechin 3,5,-di-O-gallate 14.91320275 610.0947597 LMPK12020125 RKUDRJTZBDEGNP-YIXXDRMTSA-N Epsilon-(gamma-Glutamyl)-lysine 15.213536 275.1481362 HMDB03869 JPKNLFVGUZRHOB-YUMQZZPRSA-N epsilon-Caprolactam 28.24107199 113.0840489 C06593 JBKVHLHDHHXQEQ-UHFFFAOYSA-N Ethanolamine phosphate 15.87183877 141.0191066 C00346 HMDB00224 SUHOOTKUPISOBE-UHFFFAOYSA-N Evoxanthidine 14.95112892 291.0507043 C10668 HHCAZEOWGVDROC-UHFFFAOYSA-N FA (12:1) dodecenoic acid 28.18410214 198.162063 HMDB10729 LMFA01030037 PAWGRNGPMLVJQH-ZHACJKMWSA-N FA (12:2) 28.23385054 213.1729206 LMFA01030230 HQSBWLQFLLMPKC-BNFZFUHLSA-N FA (13:2) tridecadienoic acid 4.822308474 227.1885203 LMFA01030244 PTYZGNZCLHAQEB-BNFZFUHLSA-N FA (14:1)nonanoic acid 10.14797794 246.1593577 LMFA01030191 DTHSUAKYTFUSQU-UHFFFAOYSA-N FA (14:2) tetradecadienal 4.637932055 208.1827739 LMFA06000082 NGKCMQUFXPQZQW-AVQMFFATSA-N FA (16:2) 4.222310098 252.2089127 LMFA01030109 RVEKLXYYCHAMDF-AOSYACOCSA-N FA hydroxy(18:1)] 4.231608273 331.272106 LMFA01050126 XEBKSQSGNGRGDW-JXMROGBWSA-N Fenothiocarb 16.54906418 292.0769431 C11084 HMIBKHHNXANVHR-UHFFFAOYSA-N Fructoselysine 6-phosphate 16.3111664 388.1247063 C16489 ZICZRZZPXBCXCE-UHFFFAOYSA-N gamma-Glutamyl-Se-methylselenocysteine 16.00561798 312.0221023 C05695 HMDB10716 IEFQLTYCECVOLL-UHFFFAOYSA-N gamma-L-Glutamyl-L-cysteine 8.369983211 250.0623197 C00669 HMDB01049 RITKHVBHSGLULN-WHFBIAKZSA-N Ganglioside GA1 (d18:1/24:1(15Z)) 7.93178334 668.4300036 C06136 HMDB04906 HVSCPOORNCFFOM-FLSKXLKNSA-N GDP 17.67288387 443.024342 C00035 HMDB01201 QGWNDRXFNXRZMB-UUOKFMHZSA-N GDP-3,6-dideoxy-D-galactose 12.54691515 573.0873595 C05136 GRUFZTGABLSDFG-PHMHICHTSA-N GDP-mannose 17.87360678 605.077454 C00096 HMDB01163 MVMSCBBUIHUTGJ-GDJBGNAASA-N Glu-Ala-Ser 14.56832562 305.1221327 Glu-Cys-Thr 11.87850048 351.1099448 Glu-Glu 16.55490941 276.0957016 C01425 KOSRFJWDECSPRO-WDSKDSINSA-N Glu-Glu-Pro 16.63024292 373.1484531 Glu-Gly 15.19613666 204.0746385 IEFJWDNGDZAYNZ-UHFFFAOYSA-M Glu-His-Val 10.95152197 383.1805387 Glu-Met-Ser 11.81282416 365.1255601 Glu-Pro 14.94192064 244.1059412 Glycyl-leucine 13.73004022 188.1160055 C02155 HMDB00759 DKEXFJVMVGETOO-LURJTMIESA-N Gly-Gly-Pro 12.2651517 229.1063084 Gly-His 11.84214956 212.0912183 RXAOVSDTBKWPLP-GDVGLLTNSA-N Guanine 12.29290755 151.0494212 C00242 HMDB00132 UYTPUPDQBNUYGX-UHFFFAOYSA-N Heme 13.20997466 615.1690688 C00032 HMDB03178 KABFMIBPWCXCRK-RGGAHWMASA-L Heptadecanoylcarnitine 4.637691781 413.3505772 HMDB06210 DWSFAVOTORHAAL-UHFFFAOYSA-N Heterodendrin 12.06023334 261.1211918 C08332 CQWWASNOGSDPRL-MPVQUNCYSA-N Homocarnosine 14.17306774 240.1223105 C00884 HMDB00745 CCLQKVKJOGVQLU-QMMMGPOBSA-N Homostachydrine 10.08847763 157.1102429 C08283 XULZWQRXYTVUTE-ZETCQYMHSA-N Hydroxybutyrylcarnitine 11.39843879 247.142007 HMDB13127 Hydroxyhexanoycarnitine 9.249456966 275.1731017 HMDB13131 Hydroxypropionylcarnitine 28.27613334 233.1262848 HMDB13125 Ile-Cys-Gly 10.95963642 291.1251788 Ile-Leu 13.30902429 244.1787226 Imidazole-4-methanol 7.734670108 98.04801493 C05562 QDYTUZCWBJRHKK-UHFFFAOYSA-N Indoleacrylicacid 8.774776799 187.063376 HMDB00734 SXOUIMVOMIGLHO-AATRIKPKSA-N Inosine 10.94829759 268.0806862 C00294 HMDB00195 UGQMRVRMYYASKQ-KQYNXXCUSA-N Isovalerylglutamicacid 4.774733746 231.1106858 HMDB00726 HCVIJONZMYVLAW-ZETCQYMHSA-N Lacto-N-tetraose 16.51611901 724.2750686 C06371 HMDB06566 AXQLFFDZXPOFPO-FSGZUBPKSA-N L-Alanine 15.04655355 89.0476961 C00041 HMDB00161 QNAYBMKLOCPYGJ-REOHCLBHSA-N L-beta-aspartyl-L-leucine 12.29524517 246.1216199 HMDB11166 IYJILWQAFPUBHP-UHFFFAOYSA-N L-Carnitine 11.8797686 161.105194 C00487 HMDB00062 PHIQHXFUZVPYII-UHFFFAOYSA-O L-Cystine 16.09083757 240.0239159 C00491 HMDB00192 LEVWYRKDKASIDU-UHFFFAOYSA-N Leu-Leu-Leu-Leu 11.73008203 470.3470474 L-gamma-glutamyl-L-isoleucine 10.89072596 260.1371021 HMDB11170 SNCKGJWJABDZHI-UHFFFAOYSA-N L-Histidine 13.89556537 155.0695131 C00135 HMDB00177 HNDVDQJCIGZPNO-YFKPBYRVSA-N L-Homocitrulline 15.10901221 189.1114217 C02427 HMDB00679 XIGSAGMEBXLVJJ-YFKPBYRVSA-N L-isoleucyl-L-proline 11.93666769 228.1473954 HMDB11174 BBIXOODYWPFNDT-UHFFFAOYSA-N L-Methionine S-oxide 13.21186567 165.0459606 C02989 HMDB02005 QEFRNWWLZKMPFJ-YGVKFDHGSA-N Longifolonine 7.832085924 314.1265778 C09569 XUPKMHYGWVWELF-UHFFFAOYSA-N L-Phenylalanine 5.012787101 165.0789889 C00079 HMDB00159 COLNVLDHVKWLRT-QMMMGPOBSA-N L-Pipecolate 12.41124127 129.0789874 C00408 HMDB00716 HXEACLLIILLPRG-YFKPBYRVSA-N L-Tyrosine methyl ester 4.923959538 195.0896995 C03404 MWZPENIJLUWBSY-VIFPVBQESA-N Luciduline 28.41605373 207.1623576 C09872 PISGDLOMGNKHKP-ROHXPCBUSA-N L-Valine 14.29307365 117.0789881 C00183 HMDB00883 KZSNJWFQEVHDMF-BYPYZUCNSA-N Lycoflexine 28.19013442 275.1884324 C09879 SJIMDGIDDDGXLI-OSRSDYAFSA-N Lys-Asp 18.01901291 261.132357 HMDB04987 OAMLVOVXNKILLQ-BQBZGAKWSA-N Lys-Asp-Gly 16.09472114 318.1538233 Lys-Gly 16.57454327 203.127076 LysoPC(18:1) 7.831650685 521.3487815 LMGP01050106 HEEMBWYZIJABCR-ZXAYODBVSA-N LysoPC(20:0) 4.542624422 551.3957328 C04230 HMDB10390 LMGP01050045 UATOAILWGVYRQS-HHHXNRCGSA-N LysoPC(O-16:1) 4.684611681 479.3377421 LMGP01060029 PLQWZMJRHVARFU-NFPSEPLVSA-N LysoPC(O-18:2) 4.685752475 509.384944 C04317 HMDB11149 LMGP01060014 XKBJVQHMEXMFDZ-AREMUKBSSA-N LysoPE(18:0) 4.731864431 481.3173185 HMDB11129 KIHAGWUUUHJRMS-JOCHJYFZSA-N LysoPE(18:1) 4.649705398 479.3015208 LMGP02060004 CDONWGCJDDHTLP-DJYGDJEFSA-N LysoPE(18:2) 4.667134678 477.2858547 HMDB11507 LMGP02050011 DBHKHNGBVGWQJE-USWSLJGRSA-N LysoPE(20:0) 4.687229608 509.3485038 HMDB11511 LMGP02050012 HEQMDGOBDIGJOC-XMMPIXPASA-N LysoPE(20:4) 4.603681307 501.2858038 HMDB11487 YWOCITMXHHTBAW-XSQXPFHXSA-N LysoPE(22:6) 4.548418639 525.2860384 HMDB11526 LMGP02050013 XEVRBOQZSXWGQO-PAUXXPOVSA-N LysoPE(24:1) 28.43443655 563.3955198 HMDB11498 URXBHXIAPOQMMQ-YLUWWHAYSA-N Lys-Pro 15.1270347 243.1582933 AIXUQKMMBQJZCU-IUCAKERBSA-N Lys-Thr-Ser 15.39903286 334.1851095 Lys-Thr-Thr 15.30198778 348.2008194 Lys-Val 13.69139568 245.1739762 YQAIUOWPSUOINN-UHFFFAOYSA-N Magnoshinin 11.16998426 431.2308142 C10658 MWJAXRZVJODRGN-FPTDNZKUSA-N Melicopicine 4.350819947 346.1528338 C10722 URPVDDXMEZAEJY-UHFFFAOYSA-N Met-Ala 10.44929868 220.0883495 Met-Asp-Ser 13.40407042 351.1100754 Met-Met-Met 14.00950597 411.131233 Met-Ser 10.45167427 236.083337 WEDDFMCSUNNZJR-UHFFFAOYSA-N Met-Thr-Asp 13.22215492 365.1254538 Montanin A 28.37550112 312.1360497 C09136 CZGWUKXZLUIKBU-IUYNRSMJSA-N Myricoside 3.85503151 773.2739497 C10479 KAKUSAKVVYFENV-SBLIKUSGSA-N Myxalamid D 28.28226779 390.2883576 C12161 SJFXXCHPVOUCOT-GWBIGIMOSA-N N-(L-Arginino)succinate 16.66673662 290.1225859 C03406 HMDB00052 KDZOASGQNOPSCU-WDSKDSINSA-N N(pi)-Methyl-L-histidine 12.45356066 169.0853005 C01152 HMDB00001 JDHILDINMRGULE-LURJTMIESA-N N2-(D-1-Carboxyethyl)-L-arginine 14.11238701 246.1327906 C04137 IMXSCCDUAFEIOE-GDVGLLTNSA-N N2-(D-1-Carboxyethyl)-L-lysine 17.037993 218.1266969 C04020 ZZYYVZYAZCMNPG-RQJHMYQMSA-N N2-Acetyl-L-aminoadipate 14.84494305 203.0792791 C12986 FTTGAAZKBNZDCZ-LURJTMIESA-N N6-Acetyl-N6-hydroxy-L-lysine 17.79798846 204.1110551 C03955 YXKGOSZASIKYPU-ZETCQYMHSA-N N-acetyl -D- glucosaminitol 12.08642279 223.1056838 DWAICOVNOFPYLS-LXGUWJNJSA-N N-Acetyl-D-glucosaminate 12.54436903 237.0848884 C01133 LZKNVSNNPRQZJB-UHFFFAOYSA-N N-Acetyl-D-mannosamine 13.56933695 221.0899928 C00645 HMDB11744 OVRNDRQMDRJTHS-ZTVVOAFPSA-N N-Acetyl-L-leucine 11.79906385 173.1052435 C02710 HMDB11756 WXNXCEHXYPACJF-ZETCQYMHSA-N N-Acetylneuraminate 14.70479945 309.1058087 C00270 HMDB00230 SQVRNKJHWKZAKO-LUWBGTNYSA-N N-Acetyl-O-acetylneuraminate 14.95367349 351.1169154 C03708 NYWZBRWKDRMPAS-UHFFFAOYSA-M N-Acetylornithine 13.45209316 174.1005479 C00437 HMDB03357 JRLGPAXAGHMNOL-LURJTMIESA-N N-Acetylputrescine 18.21584204 130.11063 C02714 HMDB02064 KLZGKIDSEJWEDW-UHFFFAOYSA-N N-Acetylvanilalanine 4.566697659 253.0950054 HMDB11716 UKDKTHYZLXZOSS-UHFFFAOYSA-N NADH 13.05986812 665.1248764 C00004 HMDB01487 BOPGDPNILDQYTO-NNYOXOHSSA-N N-Carbamoyl-L-aspartate 16.39829942 176.0434088 C00438 HMDB00828 HLKXYZVTANABHZ-REOHCLBHSA-N N-Carbamyl-L-glutamate 15.25694599 190.059038 C05829 LCQLHJZYVOQKHU-VKHMYHEASA-N N-D-Glucosylarylamine 4.761300358 255.1105661 C03142 LKZGXPMJCWRGTC-RMPHRYRLSA-N N-Ethylmaleimide 12.26950226 125.0476342 C02441 HDFGOPSGAURCEO-UHFFFAOYSA-N Neuraminic acid 16.7444668 267.0954201 C06469 HMDB00830 CERZMXAJYMMUDR-QBTAGHCHSA-N Nicotinamide 7.85516544 122.0479745 C00153 HMDB01406 DFPAKSUCGFBDDF-UHFFFAOYSA-N Nicotinamide D-ribonucleotide 13.88955796 334.0564749 C00455 HMDB00229 DAYLJWODMCOQEW-TURQNECASA-N Nicotinate D-ribonucleoside 16.59133065 277.0562251 C05841 HMDB06809 PUEDDPCUCPRQNY-ZYUZMQFOSA-O N-Methylpelletierine 28.33753968 155.1310031 C06184 TYHJMEIBGDDCPA-UHFFFAOYSA-N N-stearoyl tyrosine 4.56713026 447.3349857 LMFA08020100 YKWCFTGLODSOSB-VWLOTQADSA-N O-9Z,12Z-Hexadecadienoyl-R-carnitine 7.817120043 423.334703 LMFA07070009 O-Butanoylcarnitine 8.94556742 231.1471191 C02862 HMDB02013 LMFA07070003 QWYFHHGCZUCMBN-UHFFFAOYSA-N octulose 8-phosphate 16.17274085 320.0507882 Octylamine 6.438333891 129.1517608 C01740 IOQPZZOEVPZRBK-UHFFFAOYSA-N O-Palmitoyl-R-carnitine 5.912475593 399.3349412 C02990 HMDB00222 LMFA07070004 XOMRRQXKHMYMOC-OAQYLSRUSA-N Ophthalmicacid 13.2693704 289.1273631 HMDB05765 JCMUOFQHZLPHQP-BQBZGAKWSA-N Orotate 11.98575237 156.0171451 C00295 HMDB00226 PXQPEWDEAKTCGB-UHFFFAOYSA-N Otonecine 11.1624718 185.1052743 C10356 GRAGROPQORVALZ-VKWJFSHESA-N Ovothiol disulfide 15.73929448 456.1613145 Pantothenate 8.630025907 219.1106868 C00864 HMDB00210 GHOKWGTUZJEAQD-ZETCQYMHSA-N PC(18:2) 4.666302153 519.3321898 LMGP01050034 CLDXAAPENVNFAW-JRMAHNDFSA-N PC(30:0) 4.154181105 705.5311144 LMGP01010702 RFVFQQWKPSOBED-PSXMRANNSA-N PC(32:0) 6.269043083 733.5623464 NRPOMZRRLOEOKX-KXQOOQHDSA-N PC(32:1) 4.875690267 731.5475874 C00157 HMDB07872 LMGP01010490 GMJKBBMXRYZKEP-WYRBGLKBSA-N PC(32:2) 4.108829558 729.5308751 GPWHCUUIQMGELX-VHQDNGOZSA-N PC(36:1) 6.879081791 787.6094345 ATHVAWFAEPLPPQ-VRDBWYNSSA-N PC(36:2) 6.325047678 785.5935324 LMGP01040060 RXVOSONMLRHQRN-UNGCUCNDSA-N PC(36:3) 6.058970427 783.5773596 SRIGHEHXEGELQJ-YYQUKWHJSA-N PC(38:3) 4.573937204 811.6076497 PC(38:4) 5.311894502 809.5934064 PE(41:4) 6.063390941 809.5933048 LMGP02010791 VITOSVGJMSZUDA-WRIQGYDKSA-N PC(38:6) 5.409794147 805.562408 PC(40:7) 4.026769479 831.5781102 ZEAKXAXFIRHBSN-WDYLLCCDSA-N PC(O-32:0) 4.155819738 719.5820596 LMGP01020195 PEBKRUKXUJTZIZ-LDLOPFEMSA-N PC(P-34:0) 4.120654694 745.5978963 HMDB11208 LMGP01030030 ZGOGLUJRGBOVEK-IIKIFWEUSA-N PC(P-36:1) 4.121090277 771.6130238 HMDB11216 LMGP01030037 WXILBCFZIXHZIG-KOUVQCMKSA-N PC(P-36:4) 4.570678052 765.5664536 HMDB11278 RWVKPDIHPPTVRQ-HWGQMOSASA-N PC(P-38:3) 4.116582629 795.6129049 HMDB11252 LMGP01030067 LIRPHCPLRLOMHJ-ABWFFGIPSA-N PC(P-40:5) 4.028214269 819.6137548 HMDB11292 KUHMJRMPHBRAMY-DDURNVNNSA-N PE(30:0) 20.50866019 680.5101283 PE(32:0) 3.775338382 691.5149059 PE(32:1) 3.775706817 689.4992212 PE(34:2) 4.756296729 715.5153863 LMGP02020005 FENSRZKRANTRCP-UHFFFAOYSA-N PE(36:1) 5.232322761 745.5624983 LICSIKXBSOVGBP-VEAYGOGPSA-N PC(33:1) 6.110939914 745.5626273 C00157 HMDB07939 LMGP01010542 ZEWLMKXMNQOCOQ-KUNNKMQBSA-N PE(36:2) 5.458790151 743.5468684 C00350 HMDB09026 LMGP02010034 VHHMKXOBDPAFKC-HWQBUQMOSA-N PC(33:3) 5.867108677 741.531093 LMGP01011355 ZWPOINKEZAPNIC-YGQCGPNASA-N PE(36:4) 6.148475815 739.515241 KUPNWZACJRZMJD-SIOSMUJOSA-N PE(36:5) 4.002137214 737.4996555 LOVKENPUWMFUJV-XVIXSHTPSA-N PE(38:1) 4.752146969 773.5930184 VDNXNFMAFDYQSI-JHWHEROUSA-N PC(35:1) 5.619722877 773.5932584 LMGP01011450 PPZQIKKCINYMLI-RCENZVMYSA-N PE(38:2) 4.775567964 771.5773273 WYDGEVICLIVPEG-JMMITYAOSA-N PE(38:4) 5.759816892 767.5463802 C00350 HMDB09003 LMGP02010027 ANRKEHNWXKCXDB-BHFWLYLHSA-N PE(38:5) 5.911391187 765.5308081 PE(40:5) 3.983770419 793.5609011 JNMLRFRSKRFHKL-QPBWJCTOSA-N PE(40:6) 3.946930985 791.5457834 FEABWDMFZNBFCT-KUVQHVNNSA-N PE(O-38:5) 6.748509274 751.5511711 C00350 HMDB05779 LMGP02030003 URPXXNCTXCOATD-FXMFQVEGSA-N PE(P-34:1) 4.049193539 701.5350169 C00350 HMDB08951 LAFTYABRLNPQHQ-NHGOJEJISA-N PE(P-36:4) 5.010261967 723.5202489 C00350 HMDB09150 XLBRCASDZDRYLA-FWMGDSTOSA-N PE(P-38:5) 5.250775372 749.5354975 C00350 HMDB09447 IQSPCSIULMCRPM-ZAJUHDLGSA-N PE(P-40:4) 4.894895104 779.5819805 HMDB11391 LMGP02030061 TVTRPEJBOGUHBJ-IKHSQHJKSA-N PE(P-40:6) 4.847506803 775.5510494 HMDB11425 FTSKHGJWLNUZOB-RCWWZEBWSA-N penem CGP31608 13.81190409 261.0783004 Phencyclidine 5.233286662 243.1987852 C07575 JTJMJGYZQZDUJJ-UHFFFAOYSA-N Phenethylamine 28.72462257 121.0891404 C05332 HMDB12275 BHHGXPLMPWCGHP-UHFFFAOYSA-N Phosphocreatine 15.0043993 211.0358649 C02305 HMDB01511 DRBBFCLWYRJSJZ-UHFFFAOYSA-N PIPES 14.00893752 302.0605508 IHPYMWDTONKSCO-UHFFFAOYSA-N Proteacin 14.57804827 512.1168841 C08339 RJPLGQRRNXUSQI-UUGBRMIUSA-N PS(34:0) 3.733428964 763.5376852 WZFUPCSEUKNOBF-AARKOHAPSA-N PS(34:1) 3.781944363 761.5208024 QRWCPZZFGKGUHF-FQGNUJBYSA-N PS(34:2) 3.795662248 759.505354 DGTSDCHTRVSEKL-AOGDOVIASA-N PS(36:3) 3.776896359 785.5208701 MWONMGIZXLAUBR-KSXMTAOISA-M PS(36:4) 3.77551995 783.5061888 ZTNFQEXYTMNFHG-SOFXVBFTSA-N PS(38:6) 3.768200821 807.5055913 PWBBJQOVCTWPIM-FAYDGCQZSA-N PS(39:4) 3.74848873 825.5524084 LMGP03010247 HKVBMGDYFMSDES-JEJCSLMQSA-N PS(40:8) 3.750316783 831.5056479 psicoselysine 20.75561526 308.1582205 BFSYFTQDGRDJNV-ONJAQYSBSA-O Pyridoxal 8.222326243 167.0582741 C00250 HMDB01545 RADKZDMFGJYCBB-UHFFFAOYSA-N Pyridoxine phosphate 13.68402663 249.0398619 C00627 HMDB01319 WHOMFKWHIQZTHY-UHFFFAOYSA-N Ribitol 12.88561343 152.0684725 C00474 HMDB00508 HEBKCHPVOIAQTA-UHFFFAOYSA-N S-Adenosyl-L-homocysteine 13.55708455 384.1216918 C00021 HMDB00939 ZJUKTBDSGOFHSH-WFMPWKQPSA-N S-Adenosyl-L-methionine 16.2334479 398.1372814 C00019 HMDB01185 MEFKEPWMEQBLKI-AIRLBKTGSA-N Saphenic acid methyl ester 15.0128816 321.0630732 C12118 CMJFOBNRYRSQGE-UHFFFAOYSA-N S-glutathionyl-L-cysteine 16.83506339 426.0880239 C05526 HMDB00656 BNRXZEPOHPEEAS-FXQIFTODSA-N Slaframine 12.02098464 240.1474469 C06185 UQNSGOYQGBXKSN-MCIGGMRASA-N SM(d17:1/24:1(15Z)) 4.581256114 798.661584 HMDB11696 POQOEIGODOXWFL-HIMVLHDZSA-O SM(d32:1) 5.544046327 674.5359961 LMSP03010035 RPTUKVYGSPDHGQ-PSALXKTOSA-N SM(d33:1) 7.822454587 688.551553 LMSP03010037 CGMZWBZSOINWHL-YPDYIYJKSA-N SM(d34:1) 6.483460468 702.5673115 LMSP03010042 OQCPQFVKIYWGRP-GWQJGLRPSA-N SM(d34:2) 5.623039418 700.5515108 LMSP03010040 QQFVICUNTBNUKN-QQRIYSRRSA-N SM(d35:1) 4.344380154 716.5830702 LMSP03010044 YMQZQHIESOAPQH-JXGHDCMNSA-N SM(d36:1) 7.796029917 730.5989537 C00550 HMDB12089 LMSP03010031 XYLWKHKCYHMVMA-RVPJYPCXSA-O SM(d36:2) 7.784099149 728.5832718 LMSP03010048 YTBRKOHFRDWGKO-XZNYDZQTSA-N SM(d38:1) 7.757128287 758.6296512 C00550 HMDB12102 LMSP03010005 AADLTHQNYQJHQV-SVLGDMRNSA-O SM(d40:2) 7.728269149 784.6458195 LMSP03010071 FOULCGVQZYQEQM-DNXGLLHMSA-N SM(d42:3) 5.664620298 810.6616573 LMSP03010080 TXFLWJQVQCDUDZ-BRUGZULGSA-N SM(d43:2) 4.684709373 826.6931996 LMSP03010082 MFOZKYNROBQPRM-VKGJADIPSA-N SM(d44:1) 4.817821564 842.7225948 C00550 HMDB11698 LMSP03010010 VRAWSAPVSSLIRI-MVUJCARGSA-O sn-glycero-3-Phospho-1-inositol 15.92561653 334.0664175 C01225 HMDB11649 BMVUIWJCUQSHLZ-UJGXJMNGSA-N Suberic acid 28.19158932 174.0892402 C08278 HMDB00893 LMFA01170001 TYFQFVWCELRYAO-UHFFFAOYSA-N Sucrose 16.04305129 364.098068 C00089 HMDB00258 CZMRCDWAGMRECN-UGDNZRGBSA-N Taurine 14.72186935 125.0147013 C00245 HMDB00251 XOAAWQZATWQOTB-UHFFFAOYSA-N Tetrahydropteridine 7.671941888 136.0748722 C05650 HMDB01216 IDAICLIJTRXNER-UHFFFAOYSA-N TG(50:1) 5.725525079 849.7781812 LMGL03012777 XVGGRWCKUUQGIE-YYSBDVFPSA-N TG(52:2) 6.053217754 875.7941944 LMGL03010083 JFISYPWOVQNHLS-LBXGSASVSA-N TG(54:3) 6.193289444 901.809774 LMGL03010233 PMQJCWRMENJRNL-INWYVWJNSA-N Thiamin 19.69107751 264.1044135 C00378 HMDB00235 JZRWCGZRTZMZEH-UHFFFAOYSA-N Thiamin diphosphate 14.5980897 424.0371802 C00068 HMDB01372 AYEKOFBPNLCAJY-UHFFFAOYSA-O Thr-Ala-Ala 16.38695 261.1323641 Thr-Ala-Pro 15.13417726 287.1481546 Thr-Asp 15.50825687 234.0852484 Thr-Gly 21.69287851 176.0798029 BIYXEUAFGLTAEM-UCORVYFPSA-N Thr-Pro 11.35326735 216.110997 trans-Hexadec-2-enoylcarnitine 4.692472832 397.3192459 HMDB06317 SOYNLLDADLOGAM-ISLYRVAYSA-N Tributyl phosphate 4.185013653 266.1646101 C14439 STCOOQWBFONSKY-UHFFFAOYSA-N Trihexosylceramide (d18:1/24:1(15Z)) 7.877228579 1133.779629 C04737 HMDB04883 FZLJBZZCTNZGFA-YOPMPTLHSA-N tropine 28.37541398 141.115338 C00729 CYHOMWAPJJPNMW-DHBOJHSNSA-O Trp-Cys-Gly 9.248114931 364.1204663 Tussilagine 10.34314378 199.1209572 C10411 LADVYSUMGRTFSZ-QXFUBDJGSA-N Tyr-Tyr 4.604017793 344.1371568 JAQGKXUEKGKTKX-HOTGVXAUSA-N UDP 16.05913605 404.0021541 C00015 HMDB00295 XCCTYIAWTASOJW-XVFCMESISA-N Val-Ala 12.09924337 188.1160677 Valeroidine 6.160689674 258.1942946 C10869 APLLVFVOTXZBFO-RUJICJSRSA-N Vicine 15.86755528 304.1018095 C08437 KGNGTSCIQCLKEH-SYCVNHKBSA-N METABOLITES_END #END