#METABOLOMICS WORKBENCH carlo_g_20190624_171342_mwtab.txt DATATRACK_ID:1745 STUDY_ID:ST001202 ANALYSIS_ID:AN002000 PROJECT_ID:PR000810 VERSION 1 CREATED_ON June 25, 2019, 7:46 am #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 treatment timecourse on ring-stage P. falciparum parasites ST:STUDY_SUMMARY Red blood cells (RBCs) infected with ring stage P. falciparum parasites (3D7 ST:STUDY_SUMMARY strain) at 10% parasitaemia and 2% haematocrit were treated with OZ277 (1 uM), ST:STUDY_SUMMARY OZ439 (1 uM), DHA (300 nM) or vehicle (0.03% DMSO). This was a 5-timepoint ST:STUDY_SUMMARY study, with samples taken 0, 1.5, 3, 6 and 9 h after drug or vehicle addition. ST:STUDY_SUMMARY Samples treated with vehicle acted as the untreated control. Samples from drug ST:STUDY_SUMMARY treated uninfected RBCs were also taken to ensure the observed drug effects were ST:STUDY_SUMMARY 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 6-12 h post invasion #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - DHA_i0h_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_i0h_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_i0h_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_i0h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_u0h_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_u0h_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_u0h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_i1_5h_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_i1_5h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_u1_5h_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_u1_5h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_i3h_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_i3h_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_i3h_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_i3h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_u3h_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_u3h_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_u3h_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_u3h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_i6h_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i6h_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_i6h_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_i6h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_u6h_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_u6h_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_u6h_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_u6h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i9h_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_i9h_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_i9h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_u9h_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_u9h_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_u9h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_i0h_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_i0h_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_i0h_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_i0h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_u0h_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_u0h_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_u0h_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_u0h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_i1_5h_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_i1_5h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_u1_5h_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_u1_5h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_i3h_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_i3h_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_i3h_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_i3h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_u3h_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_u3h_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_u3h_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_u3h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_i6h_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i6h_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_i6h_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_i6h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_u6h_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_u6h_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_u6h_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_u6h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i9h_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_i9h_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_i9h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_u9h_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_u9h_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_u9h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_i0h_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_i0h_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_i0h_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_i0h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_u0h_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_u0h_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_u0h_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_u0h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_i1_5h_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_i1_5h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_u1_5h_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_u1_5h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_i3h_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_i3h_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_i3h_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_i3h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_u3h_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_u3h_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_u3h_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_u3h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_i6h_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i6h_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_i6h_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_i6h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_u6h_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_u6h_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_u6h_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_u6h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i9h_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_i9h_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_i9h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_u9h_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_u9h_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_u9h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_i0h_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_i0h_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_i0h_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_i0h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_u0h_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_u0h_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_u0h_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_u0h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_i1_5h_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_i1_5h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_u1_5h_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_u1_5h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_i3h_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_i3h_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_i3h_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_i3h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_u3h_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_u3h_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_u3h_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_u3h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_i6h_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i6h_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_i6h_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_i6h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_u6h_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_u6h_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_u6h_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_u6h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i9h_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_i9h_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_i9h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_u9h_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_u9h_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_u9h_d cell_type:unRBC | treatment:DMSO | 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, 2E8 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 200 µL of CO:COLLECTION_SUMMARY cold chloroform/methanol/water (1:3:1). The extraction solvent containing the CO:COLLECTION_SUMMARY internal standard compounds CHAPS CO:COLLECTION_SUMMARY (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 Ring stage P. falciparum infected RBCs (10% parasitaemia and 2% Hct) were TR:TREATMENT_SUMMARY treated with OZ277 (1 uM), OZ439 (1 uM), DHA (300 nM) or an equivalent volume of TR:TREATMENT_SUMMARY DMSO (0.03%). DHA-treated cultures were incubated with drug for 0, 1.5, 3 and 6 TR:TREATMENT_SUMMARY h. OZ277- and OZ439-treated cultures were incubated with drug for 0, 3, 6 and 9 TR:TREATMENT_SUMMARY h. During the drug incubation period parasites were at 37°C under a gas TR:TREATMENT_SUMMARY 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, 2E8 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 200 µL of SP:SAMPLEPREP_SUMMARY cold chloroform/methanol/water (1:3:1). The extraction solvent containing the SP:SAMPLEPREP_SUMMARY internal standard compounds CHAPS SP:SAMPLEPREP_SUMMARY (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 #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. LC MS peak heights representing MS:MS_COMMENTS metabolite abundances were normalised by median peak height. High confidence MS:MS_COMMENTS metabolite identification (MSI level 1) was made by matching accurate mass and MS:MS_COMMENTS retention time to authentic metabolite standards. Putative identifications (MSI MS:MS_COMMENTS level 2) for metabolites lacking standards were based on exact mass and MS:MS_COMMENTS predicted retention times. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples DHA_i0h_a DHA_i0h_b DHA_i0h_c DHA_i0h_d DHA_i1_5h_a DHA_i1_5h_b DHA_i1_5h_c DHA_i1_5h_d DHA_i3h_a DHA_i3h_b DHA_i3h_c DHA_i3h_d DHA_i6h_a DHA_i6h_b DHA_i6h_c DHA_i6h_d DHA_u6h_a DHA_u6h_b DHA_u6h_c DHA_u6h_d DMSO_i0h_a DMSO_i0h_b DMSO_i0h_c DMSO_i0h_d DMSO_i1_5h_a DMSO_i1_5h_b DMSO_i1_5h_c DMSO_i1_5h_d DMSO_i3h_a DMSO_i3h_b DMSO_i3h_c DMSO_i3h_d DMSO_i6h_a DMSO_i6h_b DMSO_i6h_c DMSO_i6h_d DMSO_i9h_a DMSO_i9h_b DMSO_i9h_c DMSO_i9h_d DMSO_u6h_a DMSO_u6h_b DMSO_u6h_c DMSO_u6h_d OZ277_i0h_a OZ277_i0h_b OZ277_i0h_c OZ277_i0h_d OZ277_i3h_a OZ277_i3h_b OZ277_i3h_c OZ277_i3h_d OZ277_i6h_a OZ277_i6h_b OZ277_i6h_c OZ277_i6h_d OZ277_i9h_a OZ277_i9h_b OZ277_i9h_c OZ277_i9h_d OZ277_u6h_a OZ277_u6h_b OZ277_u6h_c OZ277_u6h_d OZ439_i0h_a OZ439_i0h_b OZ439_i0h_c OZ439_i0h_d OZ439_i3h_a OZ439_i3h_b OZ439_i3h_c OZ439_i3h_d OZ439_i6h_a OZ439_i6h_b OZ439_i6h_c OZ439_i6h_d OZ439_i9h_a OZ439_i9h_b OZ439_i9h_c OZ439_i9h_d OZ439_u6h_a OZ439_u6h_b OZ439_u6h_c OZ439_u6h_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):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 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):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):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):6 cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 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):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 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):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):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:iRBC | treatment:DMSO | treatment_duration_(h):9 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):6 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):- 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):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):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:iRBC | treatment:OZ277 | treatment_duration_(h):9 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):6 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):- 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):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):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:iRBC | treatment:OZ439 | treatment_duration_(h):9 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):6 Lactosylceramide(d18 128056.6676 93289.88171 88277.91337 0 65145.32685 91013.99958 99737.67003 0 75423.42455 103479.5178 109554.7992 0 44357.03973 96338.9941 84118.01952 49808.89391 0 90449.60471 83988.99286 31596.31347 0 65742.32478 0 0 54077.65604 73401.91501 41003.95146 33713.42261 53992.99086 116259.4011 32434.84606 0 33946.14877 98881.03351 108802.2183 0 0 98962.45099 42977.69521 33524.18577 0 90126.18784 127224.865 0 0 51936.97297 112719.3481 0 0 111003.9798 39390.70625 0 60768.63509 53625.49812 92852.59392 31971.68484 86140.81505 113334.9895 134204.5812 68617.69821 37475.69165 101573.189 101378.6648 0 118909.4538 60141.62117 39312.33099 0 64398.31954 74758.84906 45488.18987 26660.98177 65624.25095 69895.77895 48627.14952 0 50386.62201 68002.60984 121060.2348 40562.24621 0 60550.36201 60677.22372 0 D-Glucosamine 1419920.401 2767659.515 1934083.15 2533005.01 2757813.294 2105030.934 1269773.391 2950678.731 2117503.254 1148878.923 938134.8115 1974972.902 1601808.631 833314.5856 1143163.331 1696897.699 1772359.735 1753706.797 1817937.013 1025367.528 1371134.562 504538.5309 1795521.994 452731.0678 2227888.929 1871700.174 2052652.256 2378895.524 2363460.866 1225434.507 1598621.281 1795330.363 1614711.835 1194753.313 1574433.513 1963598.714 674723.9348 876175.8095 1513112.613 1106263.619 1842223.473 1245952.888 1871550.271 1735285.579 1385919.12 2499431.678 2043975.782 2205701.496 1468420.412 1158381.359 1627755.026 1763951.49 1840138.57 930426.551 1140914.701 1431413.689 784058.364 721871.8907 1290266.962 1134217.964 1385731.302 1451393.18 1546036.319 1219003.186 2292010.031 2719479.172 1554687.66 2134516.94 1780753.903 957462.4328 1548963.012 1693668.985 1683074.93 1242466.63 1061767.883 1615205.915 1009641.249 852296.5758 1349691.367 1035235.457 1454313.174 1396383.748 1833012.378 1079519.491 N-(5-Methyl-3-oxohexyl)alanine 34407.70936 80969.56429 0 93049.15572 58093.0019 71332.60185 104398.562 0 92697.16769 59912.21907 63059.84679 0 0 61258.80859 94885.95426 0 57688.36949 118583.4967 114863.9509 63681.58932 34623.44959 49467.76299 0 76435.17763 76020.21227 73261.61348 96685.48552 0 58377.42756 67643.84416 80031.53906 0 63054.49081 82624.96845 135277.7583 0 43316.98744 67446.13606 114742.1855 0 67288.1656 121524.2489 100380.1547 84214.69863 30186.60507 42662.88125 73969.03014 92870.1129 74089.9306 52017.8154 101875.8228 0 48728.79475 98266.14785 118277.8543 0 33101.96641 65240.30206 98689.34204 0 98173.66853 125045.8552 80645.11003 47499.05144 51632.56603 76602.15971 0 99431.14582 82340.4773 74341.62159 85801.68437 127533.9554 35630.73013 86733.39811 125969.0708 0 55724.63104 112691.9067 72268.50084 0 52024.50784 70941.31347 124667.0873 123482.1704 SM(d43:1) 1194881.135 691760.3493 808636.4207 162855.9912 145072.5522 76672.18964 384471.9968 188678.199 69457.67016 231222.723 1094993.949 226144.5535 36022.98314 82792.7917 354358.003 235530.475 201597.7883 44176.6403 236184.0428 108948.0136 924099.2057 601221.763 254667.088 124502.5458 165311.1409 476931.5002 140206.7283 112565.291 85609.78536 63293.91186 77178.3507 132821.9136 39566.9119 247544.0231 270569.8943 164164.131 757150.1909 982401.5078 75634.99696 119272.4615 499671.2413 228160.5932 171056.5658 124152.0426 1146700.168 652283.5252 913378.0219 106717.1627 1074061.526 98228.99652 104359.6211 167905.8038 40194.87083 51365.4406 376929.2977 192886.4617 848428.2051 192239.573 335423.9115 277294.1692 537068.1197 323995.1244 360637.3598 106190.0832 374148.7454 720718.7453 32647.84854 68759.43049 60993.12272 780845.8512 81961.13768 211865.9055 21938.36318 27319.89639 49623.59437 146523.9922 971715.7418 64058.79836 158490.5245 141854.8504 511103.5465 462676.5079 172533.4204 185724.79 N-oleoyl tyrosine 68991.42371 0 116600.5214 0 0 0 62411.87826 0 29026.69961 42508.77569 83806.86609 0 28682.83161 45913.34007 0 0 809451.0924 307895.8245 193482.7461 271931.1002 167433.5083 0 0 0 34830.23583 0 0 0 36158.54976 80211.01462 54458.07204 0 26530.9873 0 44630.93545 0 180494.3382 0 0 0 537247.4446 414212.6538 201450.4411 199464.9224 236733.1608 0 0 0 124236.3953 62661.38242 39296.28152 0 33693.17389 46567.90151 0 0 59422.63616 0 0 0 268229.0936 500754.1749 193101.2668 251091.8013 0 0 225746.4331 0 0 75469.2205 39685.47289 0 0 0 86931.34476 0 122555.066 0 0 0 1138624.733 458424.6624 266442.3418 399335.8369 Montecristin 113774.7631 134167.9323 120582.0608 111183.9229 58098.22423 116673.5917 111328.6529 103106.2979 57243.9536 123712.131 150034.0398 104738.3286 55948.73157 145246.6688 66825.02991 110340.1227 65691.90459 84375.36114 64820.04956 46702.52766 105958.0623 123631.3144 41402.77863 71981.02595 62986.33777 132545.4205 76721.57993 114171.8831 58433.16539 145131.8152 98675.67782 85663.01769 59862.05376 196484.7311 53076.85017 116993.7586 123256.963 274195.6415 57653.39697 102728.5664 63270.9118 94678.42898 40535.23015 96280.06529 118231.7988 123433.3695 131892.9772 96432.64779 113872.8856 162522.2198 67678.94884 109875.635 42501.59518 71373.09676 73243.05048 105202.2717 91478.4307 149961.1636 67020.67468 112024.4343 47426.76271 89476.31238 40838.60601 51098.97041 58750.39562 135159.3407 89466.5388 111119.3002 62735.18367 194937.6804 81428.24724 96791.28986 36336.96476 102728.6657 59619.28675 116333.5753 107589.8814 160282.222 71504.24444 102604.2586 59260.87847 101594.7986 27846.71209 81718.75982 Hexanoylcarnitine 0 29039.77643 113364.3791 16779.53021 21473.74264 36167.63764 58442.36165 20006.39658 36109.5928 52296.90836 44998.65129 17133.82699 7915.5165 47504.20405 101984.5384 19604.97442 70243.38003 347878.8889 396186.0235 1027070.617 0 17609.50411 76441.6721 19883.81242 15357.18762 69336.81761 25007.13041 28963.82596 21152.40305 48194.65286 93889.76536 17328.7091 23191.29344 66262.02935 104980.243 17990.17391 8994.190911 39783.69379 81708.3808 16233.35931 111348.6326 411094.9073 374555.5423 890165.0099 0 14727.10713 114520.8108 32258.62757 0 27039.33579 68582.35746 16064.44989 4101.116289 53629.26179 113076.3518 16859.00732 0 199361.1205 87607.8878 15265.06715 50702.29435 387983.6439 459018.7678 896714.7703 0 51115.89054 54947.46091 15551.43952 5791.748984 71299.70607 92836.46188 19803.47411 43915.94727 68723.49317 101479.5742 21025.60859 0 52307.13627 72034.58863 16628.99951 54180.35174 325723.4667 390268.2826 868540.7193 N-stearoyl tyrosine 272098.5544 223619.8064 244828.0504 39318.24676 211155.4531 178773.0768 233913.8679 0 213111.6742 187045.6855 369072.4975 0 156599.3218 172285.6839 154224.2503 0 3033740.776 1343710.797 785387.8244 987668.2287 530417.5239 273467.6117 139919.1114 0 160402.8241 198029.2755 171086.0416 34771.21726 148858.3268 248440.1805 313514.5026 0 121495.463 232717.1917 188240.9967 0 668626.6732 221351.5885 155165.4123 46044.12998 1846977.867 1301000.897 749457.0782 265344.0777 817844.8156 184636.3174 249714.027 0 428227.321 212551.738 176499.1568 41867.34593 136593.0194 225505.1839 169998.5868 0 341358.927 136164.9501 131250.9043 0 1183312.899 1361953.621 813884.071 849900.3244 167180.6827 176331.7351 637549.8702 0 128858.8242 312594.5588 191468.4395 0 141726.8267 202505.6083 245601.818 0 356988.1566 171202.3084 193139.3966 43160.76932 3608223.496 1464584.582 787015.8903 1258952.217 Glu-Ala-Gly 102053.8468 85137.59119 0 130883.5342 167452.4206 106424.446 69186.87898 102743.9527 131882.2672 77133.60596 53805.09737 87044.07824 172944.3856 41090.54327 67741.01753 62746.30433 30650.64706 0 0 0 104348.1509 73330.48232 0 107183.4526 129635.2314 92786.00752 110584.2954 86675.077 150991.5292 67631.37235 99850.99026 97691.40314 217837.1545 62187.94472 87407.14452 93062.90993 124092.1633 77257.10223 87380.74566 109082.875 36186.72744 0 0 0 100457.042 89673.22496 88155.44001 101506.3064 104573.0683 79891.3143 92819.26919 51010.60533 142722.3207 68229.58468 110764.1842 45570.1636 109498.8066 35937.51114 49319.58687 36564.57737 57461.41539 0 0 0 135281.7495 82169.58798 0 112860.0146 151175.9231 75015.07001 113935.4101 99617.64865 160325.0562 70130.83123 67046.70307 82588.39331 103611.3539 63042.70459 84574.23986 55890.03754 29718.9732 0 0 0 L-Homocitrulline 149988.8845 56025.16275 0 44008.38788 220553.6658 57355.00249 23240.81188 39767.78218 190798.2443 71246.22961 38067.50907 0 235141.122 61565.05414 46120.06658 36951.79981 228901.3505 110170.7583 124036.8705 351247.2369 122271.2579 33602.18697 38437.60227 0 224137.9276 43125.5155 31403.93141 0 213542.2354 38719.48036 49523.95469 30684.18787 160426.6416 72107.96958 57195.18007 37015.08395 99158.33069 45896.35998 67177.73232 74525.43912 241462.6023 107051.4224 115446.3582 393325.7234 135227.8965 56866.99398 48008.97034 27924.8206 159128.5494 47639.96493 68932.92423 0 279198.1058 72339.94094 69571.57113 0 144174.0492 45741.77988 51975.19667 41167.9696 272048.5647 110181.4572 143833.8516 378134.8237 162985.5278 34570.78526 0 29852.94506 219540.925 34264.9064 68055.94628 33939.54361 189807.3892 61399.45572 64527.43615 0 123805.0706 37510.79901 69321.42522 38145.95329 238285.3008 95040.82508 145861.7333 354603.8624 Leu-Ser 44081.68708 41548.77703 59777.41348 15232.52263 73481.53671 44619.72176 37435.57881 0 57029.29319 51125.92159 36484.52296 0 49238.43048 46460.09876 53891.2812 0 45762.89249 66590.69289 98567.52198 40968.92292 39993.31621 18158.20655 51632.85835 0 44559.18254 39789.70734 49579.65908 0 57957.71721 41906.34849 63007.2501 0 58596.99783 42831.81124 64550.16918 0 23581.32997 44702.44265 60291.06427 21089.63451 56876.116 83130.64189 100866.0809 44323.8895 41187.68765 43562.04467 54990.76704 16212.85622 20236.64671 36417.28049 61458.90435 0 59248.44288 55810.52275 67725.72167 0 41037.24172 39608.91717 62023.39542 0 63966.06592 87017.01088 91861.3087 50518.95402 57769.21675 35698.79845 0 19315.77113 52293.20495 46993.90105 66293.41335 0 47629.81929 49018.16443 50246.23942 29953.08799 34121.94697 45553.7584 61502.13665 0 44088.07666 64925.47183 106690.2492 22706.97821 PE(P-36:3) 622628.4263 646794.7905 653654.7585 583918.9216 359345.6844 560776.4228 610820.7418 666822.1323 312794.9614 649118.9223 790463.9454 697634.6337 351640.42 606694.1335 393223.9615 718818.0739 333565.7264 473592.8168 298104.9773 339131.9646 583461.6362 514672.8402 370087.2475 675395.5902 351576.9278 742324.2326 415613.1786 543380.673 398760.287 598757.976 524444.7846 504046.6236 303601.0625 703318.4219 468865.135 636035.5417 577562.03 763526.3809 292938.1805 570587.5192 330764.2177 392848.4916 280741.1382 295961.778 743725.6444 723183.3412 727060.9717 635614.0935 602433.2736 706831.4416 255559.9733 579849.2193 447542.4387 548018.9351 342707.9509 605665.3777 577793.9892 612137.9724 396328.76 671920.9981 302392.9078 440645.1686 290996.5297 314983.9329 453134.5937 780924.0861 500921.6949 625032.0798 346762.6436 901795.4789 334709.8774 645742.1627 262282.7257 440984.5281 436571.5847 631123.9985 542960.0213 633554.2068 384612.5447 520520.0166 384211.4549 458889.2339 315285.2879 332096.2714 PE(34:3) 238443.2399 204969.4699 151525.416 181299.298 176472.1429 203735.4959 260054.1914 231342.4428 122430.6479 175853.8452 124185.1247 189438.0962 104673.4898 180378.385 132565.7529 162362.82 81681.08836 170287.4268 95756.58955 165905.3918 181125.8127 198426.9029 112732.469 220461.8544 145110.9304 212205.7932 142623.8104 233639.9946 138988.1906 199464.63 162925.3224 197943.6912 137553.0588 192662.6201 193905.4788 234889.7365 192361.2386 216635.9042 132246.2025 162839.077 88767.89674 151009.5277 64089.77428 125452.701 236657.4639 270569.8943 229707.1165 204409.2422 235309.936 204021.318 147522.2816 193558.6252 104141.4548 162076.6649 128450.1729 194107.0755 191310.2716 176463.5286 124146.0549 216357.3048 67368.25581 111817.9841 80924.78853 128797.0812 202748.2036 312139.1875 81490.52674 199840.0109 138377.2911 195487.8721 133030.7237 201274.9685 120803.3019 177557.7217 142935.659 168091.4232 128921.8395 204293.3365 92732.82902 208004.3136 92177.66931 167799.1613 69370.45971 132862.3631 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol 0 255757.228 1185377.017 292358.0936 0 122699.3214 828324.4815 252374.6985 40549.83297 247272.7771 2066044.901 353875.7427 0 215052.3799 559400.7103 80486.29798 91059.85111 253037.8188 597001.6255 195750.4223 0 294177.5605 673157.5479 191195.5454 0 249515.4145 604866.0278 172638.7361 35010.94934 430289.2281 1111569.639 279426.6355 0 216265.018 761949.5082 104041.9429 0 196427.667 708466.4576 147821.7892 104498.1853 243025.6311 420090.2815 167504.1487 89259.34695 317888.136 879914.9745 275105.0779 0 273554.4701 1089996.307 326933.9176 32664.68622 205087.626 669347.5655 91967.77182 59849.62718 248128.0872 550236.7889 99605.30869 0 222484.4433 579221.6367 135596.0701 0 338773.0552 6952198.682 264352.5367 0 306755.9211 680033.7473 293236.1852 37687.47672 264405.9447 844002.6814 147194.3738 0 96458.25591 705483.5799 66763.1575 107846.9529 564704.1854 778974.281 309426.6092 PC(34:2) 43435103.42 41318609.94 54342327.5 25704507.48 24712999.73 37318883.65 43247025.4 26390272.54 23847965.27 54168880.2 58375498.62 28740115.53 21752086.94 45401706.33 16994275.85 24892900.87 42024918.51 47817422.22 29240491.46 48686281.94 39644267.2 38077528.46 28344556.37 25866193.37 26267846.55 53131939.32 27885018.45 24362853.28 23173215.4 45563666.8 30721358.52 24593358.44 20139573.3 55051019.51 28232414.19 29282540.44 39520301.47 56268222.72 18180789.63 23082470.67 44118624.33 59033338.4 21825817.6 29157680.73 45564564.08 44740611.69 53149175.86 28286782.37 39470222.09 49642430.55 21656380.28 25198308.97 20190435.29 30332366.45 24385631.64 24886676.78 49607900.67 56896800.29 23110940.27 25232494.63 38390836.49 54904355.22 22047688.43 34779001.13 27616419.63 45417659.87 21179837.2 23588950.92 25219205.94 61189005.62 23425033.63 29480258.54 13958330.78 31244634.25 25744644.11 30232398.19 49658729.64 38808898.69 23041426.31 25130089.44 50653053.42 56131649.77 24512447.47 42300169.84 Oleoylcarnitine 5882546.805 4555646.203 4481575.675 1493495.371 4515259.224 4383478.119 4731706.754 1879950.577 4285143.791 4696445.144 6660390.806 1550227.367 3592715.97 3929631.406 3364830.957 1635631.684 67219952.6 16776621.02 9865332.985 14442108.1 12841073.69 5495515.935 2499101.116 1446919.928 3914267.536 3968578.963 3185926.878 1588155.119 4020960.045 5265728.535 6333703.302 1693880.439 4066977.268 4680909.122 4513137.445 1381328.907 21648649.99 5328120.708 3178358.795 1631438.071 49959014.67 20553492.16 9365868.09 11085993.19 17531508.46 4895904.599 3884358.771 1504502.136 10850039.41 4962115.826 3285869.315 1651846.698 4156886.24 5332692.308 3998839.144 1740218.103 10095642.94 4123221.101 3970800.99 1472174.764 25868825.37 17713555.94 11284249.98 11783439.81 3581720.896 4041158.498 12994392.87 1563562.721 4053922.006 5503357.514 4203519.112 1426491.936 3929856.785 5140644.107 4908147.425 1582343.227 10528645.52 4235563.319 4469745.632 1641007.405 83434005.72 21655246.5 11333712.27 17197446.1 GDP 458657.8638 549266.3934 541670.7184 904609.4279 743455.0602 579578.4943 460890.7515 918117.8234 738482.0547 519623.577 476599.0552 916000.8025 697078.5211 520727.282 728520.116 972391.106 425199.1255 540008.9368 703622.4337 513749.9396 210631.5713 485575.8341 765746.1191 218959.2259 690317.6161 432931.1386 763844.1791 871823.6626 688026.9553 411916.724 680882.331 905240.69 585326.9876 445058.1068 705095.6672 882271.4543 451160.3704 405726.4042 530473.0508 842200.8556 375302.8174 552589.3296 668070.1409 563127.7361 495765.5649 455706.5166 490319.9186 864849.774 591917.9195 432688.6896 747396.9736 914081.0827 676026.9674 546915.9298 757220.5412 983192.7947 473368.4336 408475.5042 617507.7076 814678.7466 452747.9336 481901.507 709632.466 558358.3845 686032.9857 481509.283 589241.3602 849103.882 713200.8123 454812.8331 769132.9663 877375.7962 675402.6306 479665.9706 733439.869 812886.6969 432028.2018 510970.9114 674962.7452 842652.8537 428831.9797 497883.9711 746475.2455 445641.3474 Crotonoyl-CoA 0 131230.645 0 175229.3824 159345.8628 216787.5359 99680.60674 316342.1243 300277.9314 139760.7431 95682.90816 188863.5185 253149.9108 172825.581 167201.3996 180519.1088 0 0 46250.54953 0 0 109223.0379 0 190010.255 315638.6459 209976.9498 183149.6468 213756.3196 260909.6774 158918.6439 202226.5829 203690.3586 246178.6144 124647.511 160886.4341 214407.1133 107768.1024 124980.8419 167957.886 198404.1734 0 0 0 0 92276.39233 120550.9585 0 180369.1476 134203.0268 210672.8539 218445.3378 237378.5335 263942.4856 173497.1355 215144.2797 233171.2164 162713.3838 123765.0037 203127.0281 217191.8459 80474.85203 0 0 0 153247.7829 142447.4377 0 239446.8711 308233.0296 122522.5697 265488.2687 309669.3659 339401.2406 173605.9677 211188.799 172201.0065 126572.6613 118415.372 223450.7775 161347.7689 0 0 0 0 Thiamin diphosphate 164800.9853 121468.7254 0 118991.546 245851.6105 164434.8295 58700.21795 133853.012 205421.5008 161164.5449 118048.4501 130985.31 319934.447 143486.9425 143827.8865 142278.0917 175972.9977 101266.1374 143489.6296 0 150013.1682 94488.70978 0 152403.6893 286123.9934 125596.3588 114067.63 173172.1222 304335.4738 112681.3826 133936.5849 188797.746 282367.0235 106326.1408 217802.2378 141583.1614 170184.3702 133237.0166 187205.0199 150562.9494 154535.0513 51879.66913 59641.78398 89083.07982 205651.4561 72692.74216 113269.1074 86410.31626 174802.3044 102475.9638 170044.1499 72645.04497 312505.9248 130353.3448 156669.4919 151268.1312 198072.9245 144975.7009 149053.4826 157067.1234 177892.1093 80318.43148 66565.69572 70186.37985 297285.3592 126093.3333 0 133986.406 274088.6178 118697.5502 146959.5409 140309.0441 285867.3032 161735.7079 150684.492 149280.6402 191249.4261 142580.4655 193826.5073 139799.621 132360.0835 58944.88347 76748.90408 0 Docosa-4-7-10-13-16-pentaenoylcarnitine 132183.8249 0 69442.40284 0 90556.7548 51525.13307 69157.6047 0 38328.04122 63026.63409 155834.6986 0 59593.55274 90253.71523 0 0 874727.4548 515640.0337 323556.2867 362951.0907 131783.5809 64693.15327 46510.6183 0 28797.06417 102542.3821 42717.32039 0 59163.43025 107575.6328 100747.0904 0 54827.4085 55875.86649 60884.47557 0 231392.7182 48565.3864 0 0 699749.9426 594977.6232 278861.9541 281613.9116 232859.1422 0 55322.60541 0 176953.5971 123800.8184 41833.50155 0 30463.11168 100559.12 36612.64349 0 125594.6258 0 0 0 479195.199 537620.4174 283377.518 334213.5471 0 0 115903.6694 0 32004.43215 95791.52963 58213.54075 0 31785.35307 110344.0881 68309.82027 0 146219.6864 76169.05273 0 0 1110725.272 562262.4 338242.9192 713520.3488 O-9Z,12Z-Hexadecadienoyl-R-carnitine 1446482.989 485079.9268 810324.5244 299278.2774 1032438.055 946170.1318 864198.5602 291572.1227 888313.0234 932360.1645 1339758.874 284985.733 808833.2666 856065.7393 605055.216 284558.0259 14838182.13 4060853.249 2209815.258 3184029.984 2959478.178 1054960.629 542994.7775 288925.5098 740315.8463 877340.14 605808.4969 287766.7223 779105.7837 922125.9903 1261682.737 293959.0772 787040.4065 894745.6577 863403.4837 241031.4635 4237792.327 937659.8554 623349.7495 264067.5529 10654766.16 5184924.383 1994875.548 2631254.41 3943895.955 937086.7788 779853.5429 295921.9841 2518004.954 957926.8824 677799.0007 280049.5046 898540.9942 986080.0308 792955.6876 319476.1924 2076361.746 780402.0326 681093.2568 299491.9191 5446249.66 4404643.236 2479753.212 2836040.435 800564.7969 802344.7822 2346315.41 260706.8918 783077.2839 1080333.924 826188.2509 287219.2365 748827.3206 1001121.865 945278.5309 274594.7896 2218826.86 798093.9661 733493.2592 276830.8723 20001937 5228445.06 2349639.773 4972413.05 [SP (14:0)] 1-deoxy-tetradecasphinganine 53695.6511 96283.86259 121349.3525 61976.25959 90153.2451 97107.06617 90841.91088 98728.55919 78513.35027 89573.77594 116252.9226 72305.53959 80856.11531 106054.5848 136983.3704 69892.23673 170496.3921 110789.1682 53029.17133 68267.95898 118049.6115 122828.4268 42881.08639 65298.17935 71232.79985 82117.33203 83393.85169 62814.04175 88458.89027 221541.7934 109248.7235 83454.56746 75371.08443 87161.92749 115302.7671 74886.41665 157708.8174 43606.70382 71551.39522 81687.79485 121940.1239 103802.5967 104415.9383 71921.74525 98235.44405 149108.4844 88629.57996 108700.0591 117182.1343 102158.2541 67664.90671 75751.48993 77495.80669 129113.9554 83131.92993 87082.08644 90402.87215 92441.09923 68489.76836 54968.63645 111379.821 102320.1681 83003.67425 61494.92692 88749.12255 45163.8468 154679.0945 77670.63377 122882.997 62008.8727 83766.14566 75737.04084 74905.40122 146710.4126 94973.25107 71579.4823 110602.359 89797.48543 157286.8227 56903.81292 160899.812 111870.9326 150944.7988 51701.31217 SM(d40:1) 6171349.245 4629043.784 5119121.715 1113728.952 1150917.495 1804807.161 3263218.088 1568225.512 781740.3078 3145475.906 7369184.232 1907747.692 637314.4802 1406715.228 2038574.996 1725076.159 2104502.857 1022679.922 1412336.624 1565554.109 5196286.206 4750974.399 1101042.905 1349736.406 822512.3347 3963760.797 1190552.371 1707580.46 697908.9361 1546473.463 454119.658 1613636.487 610086.2456 3199179.009 1809173.075 1453602.743 5137686.634 5567275.615 542872.6191 1119200.082 3176871.25 2900374.173 1426929.934 1032231.633 5876165.009 4545077.089 3668082.117 899592.1091 4977183.045 1943890.687 782438.9916 1529240.904 423281.8604 652321.6281 2081229.967 1592284.398 5461916.46 2486979.309 2059917.421 1523332.03 3462334.95 3515032.032 1846216.791 1143058.47 2559732.378 4410965.149 1428703.44 1094977.402 685332.957 4549016.83 541600.2024 1529719.456 356485.6668 374045.5724 355027.8133 1628396.812 4261070.511 1351942.493 1471854.565 1319920.252 4013985.939 3249313.058 1306955.926 2192338.404 PC(38:4) 9194843.525 8586752.099 9928561.662 5242590.179 4016350.677 5889814.471 8562330.532 4980207.416 3175157.45 8631005.448 10764788.73 5557908.755 3042041.254 6209992.03 3766956.028 4689280.682 5298710.855 6405101.563 3991684.369 7136515.607 7581767.88 9746273.376 4509843.028 5782309.099 3726810.166 9301214.678 4446836.596 4824474.864 3622271.676 7666107.726 3678012.675 4360461.847 3432414.693 8963760.473 5023721.527 4964232.592 6168485.721 10306144.19 2950363.806 4559549.585 6078663.271 8576833.196 4908097.04 4112599.749 8537057.44 8744104.573 9827880.152 6765425.594 8799638.259 7986637.434 3271541.91 5079017.368 2413087.863 5478396.061 3843333.16 4764199.156 7645627.962 8916662.731 4451753.124 4862098.376 5635884.646 8665072.821 4139798.106 4306991.507 4474686.822 10326847.92 1982654.28 4712142.111 3670672.683 11008900.59 3861197.764 5724867.194 1770060.781 4198359.063 3667911.496 5570900.796 7510224.611 6617472.023 4591616.885 5098420.994 6467278.61 7061345.905 4685304.816 6216876.072 Met-Ser 219552.0689 208546.7006 98228.43165 374602.259 132835.3494 178384.0562 108453.3221 482138.498 142208.0444 243046.0241 154938.1483 189130.1917 186576.3863 330917.9419 282784.7227 221444.7253 166512.3651 106949.1102 179901.4154 116373.2066 153939.7755 174137.3672 162281.4296 275937.6488 181121.449 180527.431 283322.1888 230891.951 301585.7068 270569.8943 132805.4963 180951.2901 328749.0789 244192.0472 237503.5233 394454.9007 180920.1862 168837.0177 296014.4127 259289.4173 75302.87432 123301.5996 150433.7553 198279.5137 196013.2896 224059.6934 221736.2143 333980.8282 217964.0628 230818.9996 167713.4039 330781.2645 198095.6211 341186.2082 259890.8516 222590.5949 275662.0474 291130.3651 176182.6095 351580.2393 49891.50937 116460.0764 141207.3881 125940.8914 241024.4512 172474.8093 141982.2393 363428.6356 254330.7736 207861.1243 349720.3979 252414.019 330696.4044 279117.1476 255408.6163 251723.8678 199570.3463 151413.0051 324824.98 180041.2215 88842.02365 119819.0969 161195.8643 57374.33486 PC(38:6) 6353420.999 4347475.181 5939286.105 3570104.463 2795172.196 3958726.599 4773658.908 3622152.632 2232511.245 4713785.645 5596643.644 3646869.563 2169782.325 3439800.138 1901382.76 3244342.539 5513595.118 5916265.676 2825396.483 10124364.44 5456537.062 5573007.209 2298937.537 3577856.016 2307137.464 4949209.312 2422021.085 2929333.435 2561710.538 4606558.219 2989970.417 3202432.29 2118639.113 4910255.813 2267503.119 3388033.344 4057336.55 5350238.608 1516242.365 2698130.322 6203195.389 7014002.058 2776370.062 5636188.797 6291098.928 4623497.983 5298151.616 4280347.588 6304417.106 4668002.7 1939504.428 3562202.325 1759311.162 2807785.087 1937326.064 2869319.928 5455589.712 4518197.415 2090191.884 3304476.38 4979285.869 7203939.103 2282799.866 5928517.086 2933976.673 5484779.908 1321244.671 3238877.332 2678978.032 5505710.773 2342368.478 3770970.759 1308608.598 2808150.897 2678114.94 3652782.599 5313756.407 4070433.247 1983073.229 3072983.675 6185930.993 5340774.029 3192341.915 8806756.673 Cholesta-5,7-dien-3beta-ol 0 43035.34349 28783.88019 27770.67703 60427.38526 69974.95172 41171.35468 32806.13946 43606.79689 70000.81974 0 38398.54334 78034.10977 94179.82971 147108.3789 22462.86558 0 86725.71533 93132.74977 30725.31745 0 30868.6702 49283.76056 37887.28194 55659.49032 65571.25448 122716.9978 55044.0726 76561.53749 105038.7505 188850.2873 32557.02432 71496.71134 56288.98697 106355.729 72530.85941 27986.19511 48150.42643 151259.1368 39096.88381 0 43951.99922 110294.6212 0 30836.81547 75048.57896 33460.82078 22015.27306 0 74985.03346 131362.0435 27226.6189 101161.9528 108656.3982 131332.2524 52006.2523 32239.59059 69688.23728 140963.6489 31983.14009 0 34871.68216 92671.50969 0 50771.70615 29387.29981 0 27689.64129 62660.61616 51574.60578 137553.3751 51811.4999 77734.23439 201643.5248 216359.5158 41978.03511 31127.76301 115198.1911 129078.572 29235.81041 0 17902.99681 86284.47402 0 trans-Hexadec-2-enoylcarnitine 384108.3509 199892.7781 203852.5869 38287.02196 193807.9405 162846.8758 213163.4363 51992.69606 213652.3332 153891.8018 287934.7764 40762.34989 194033.0916 185998.459 166074.5383 43288.29621 2621775.828 1206094.079 695295.2262 833105.4751 566207.3988 260780.4435 156781.3477 49414.76868 184368.6723 225829.6289 184756.7275 76045.16839 186144.6137 225475.8689 326126.314 40932.86097 233554.5265 192278.2381 179566.1735 37762.67423 868656.4566 233891.7349 164975.6839 40177.42539 2354391.571 1036313.546 564299.5106 688797.0078 787731.5207 160006.8377 205961.1153 73443.86383 601237.4733 238136.5298 162833.7315 59514.17974 200536.8636 275897.3228 172396.1134 43047.88994 320527.4708 176816.2676 178101.928 39424.32869 932223.8 1107243.805 692915.7176 753585.0762 168438.9282 159171.8518 576000.5087 71316.1846 154327.7342 219806.8215 193357.3206 40035.13343 187893.3334 254214.5494 239040.7779 84741.7779 415125.0366 163041.8944 191854.5944 49054.05683 3336507.832 1076790.519 592543.3902 1428452.725 PC(36:2) 20720317.19 20050049.33 26476164.43 16000797.83 11148721.68 18506076.55 23147317.28 15273491.07 9803116.16 23900749.53 27453823.61 15882695.43 9639359.641 18545591.03 11182761.83 15441085.13 14240671.44 16290342.15 10487471.1 17568750.06 19873090.24 27565327.35 13574652 14854882.14 4179600.39 26091577.35 12513322.63 13524625.78 9358494.595 18957146.04 11187049.32 13827963.8 8751529.108 25876516.08 15858948.71 14964579.02 15937091.27 27593869.93 7902771.676 12335571.37 15232369.4 21403448.61 10118482.49 11693444.88 22044570.05 22716238.41 27518064.42 18988359.1 21614645.43 22356094.58 9644541.824 14996917.45 7609112.414 14987757.54 12150332.14 14166262.17 20887537.12 27769035.36 12163652.77 15804969.16 14321581.58 21164248.66 9635013.448 11712025.02 14083273.76 25540210.76 8518704.461 14806917.24 11505112.2 31149214.86 10148029.01 15530609.39 5033758.197 10895103.01 9665224.752 17438123.1 21388901.92 18463355.96 12829885.1 14509070.5 16112671.47 18762668.45 10191555.22 15325143.5 PC(40:5) 1781356.556 1533271.305 1474682.976 1156641.543 731057.043 948520.5186 1266844.058 1178433.695 588665.4606 1575973.667 1637911.372 1242024.702 473604.2925 1144027.647 578567.5348 1109621.06 641259.8 457156.8442 407238.0016 1024048.941 1578401.593 1619673.372 662956.8159 1295272.487 550509.8967 1569122.082 734880.2042 1089863.094 678717.5616 1081822.277 514648.7481 1112492.982 533728.4596 1479015.933 765186.6508 1314886.176 1215573.079 1861345.12 421346.8822 1010056.676 724294.0843 912051.363 387323.7763 547313.5857 1655316.459 1705105.215 1548492.492 1342630.779 1625202.627 1257479.636 407602.6955 1179669.297 395112.2261 981593.963 490828.014 1069251.88 1506673.862 1292470.581 721746.5737 1322935.303 574911.8212 953643.4078 366447.3923 598314.6899 739086.2183 1807022.205 272141.0839 1119408.05 651982.3979 1826797.763 476492.3511 1141671.952 278814.5089 732547.333 550230.866 1206167.964 1343414.028 1181383.657 603069.2403 1314066.601 991419.042 739127.8146 434479.1777 1072101.012 SM(d18:1/24:1(15Z)) 9636069.937 12628207.86 10193323.31 7306955.821 5487411.031 7290492.374 8126957.793 7128267.816 5918648.82 10335459.26 15533084.41 7563188.298 2692572.614 4957641.947 5780466.448 5692667.193 10456437.07 5336670.296 13864792.3 7182537.543 12433420.56 16352312.84 5780062.488 4378964.747 5435536.033 12523957.13 8066964.336 6750823.904 5160806.416 6702478.993 4025990.577 6790997.94 5467292.686 11077854.92 12112054.23 7171666.42 13265555.74 12716452.11 3701372.17 4759625.544 10339069.39 10122208.55 12376325.69 5459899.106 15448556.96 13952613.44 11793456.18 5231490.645 15378008.61 6736624.032 7557875.935 6326765.259 4352592.321 2492299.259 5301673.801 5381924.282 13837993.34 9256345.121 6723214.495 7262010.389 9672691.225 10658806.39 5345976.361 5564421.651 9042675.333 12827888.66 7676970.153 6817031.175 3412060.771 11264921.54 2442244.323 5086050.451 4323506.377 4270277.548 3792364.884 6635823.754 14425073.39 6337434.898 10473375.6 6716473.011 13056819.99 11413956.64 4741290.28 9222823.917 PE(P-38:5) 1421050.184 1524149.086 2212459.334 2544901.087 1421342.63 1479235.558 1759390.399 2242932.947 1293545.803 1899985.008 2363649.768 2685592.49 1071441.284 1540365.736 959046.8625 2344714.973 1711567.877 1461734.224 997113.757 2161640.955 2115536.827 2303928.748 1089064.875 2700780.405 1382553.898 1837686.008 1065710.62 2304537.641 1112057.393 1484324.164 1499528.226 2199323.258 1119680.783 2123839.158 1090835.458 2806622.5 460715.6009 2368787.868 803435.867 2146238.728 1187567.707 1722151.03 1014866.337 1680937.067 1890935.268 2658891.6 2371349.546 3064600.768 1998588.151 1675991.571 987222.7537 2149192.981 924872.4676 1459832.676 866651.6473 2601061.175 1539203.699 1817141.347 926863.1736 2277041.317 1180638.662 1854890.539 910558.4649 1864925.026 1342262.656 2592945.051 916158.0306 2495738.068 1316677.37 2248807.326 1034293.565 2208377.56 956131.0313 1253437.143 1086217.607 2591076.454 1429944.26 1778263.51 876558.8612 2330890.474 1437440.128 1781917.398 1154148.821 2170136.535 LysoPE(20:1) 131137.222 173117.4119 209110.236 118759.4296 105366.8662 126742.5173 181399.4803 117246.3228 154781.8665 156480.4824 195588.6479 135196.4815 138080.0812 194629.5673 178950.3714 106461.1715 322576.1044 252687.9513 205274.2076 128260.6691 190890.7772 181202.2416 142534.2862 101821.0464 111517.9303 110368.3803 161215.8606 157467.0993 143940.1606 218976.4987 229955.9302 123295.5834 99311.29344 149771.568 186264.3873 128562.9962 244991.5825 156036.0749 185648.3935 109402.6683 275558.8405 211614.6456 201560.524 116955.6977 274383.0516 140437.3604 170047.6211 153320.5849 198661.4049 176221.0123 166175.2501 89071.1177 165512.8726 304731.499 197800.0124 118839.9014 154095.7925 158458.9024 210907.6797 107611.961 154920.4752 241465.2901 181503.4719 100576.3119 104576.104 129177.4077 447232.2465 102048.6833 92176.95991 137681.2898 164667.878 100086.8146 115693.8838 248157.2154 257222.4661 119036.5065 238675.1451 160150.539 206797.2921 137696.9319 307330.1961 263709.5738 203584.3326 188719.8024 L-Tryptophan 8134883.511 7538724.943 5899874.349 8099900.649 11055815.67 8200778.162 7473898.684 9106540.646 11311287.88 8027676.706 6496110.016 7865715.83 12235548.9 8200634.656 9069484.004 8716588.008 8203628.575 9320345.01 8695763.986 8337711.893 8764809.375 7578383.606 7619023.582 217423.2422 11041399.91 7804404.929 7495289.698 8363085.743 12290247.84 7305560.268 10154398.62 8427448.827 10432661.85 7572841.076 9323667.648 9121813.409 8047353.169 7038956.02 9048886.164 8473081.559 7971343.573 7958683.056 9533115.735 8580255.007 7523882.057 7757692.278 7080739.987 7720652.127 7754108.812 7523311.199 9907574.783 8108483.628 11865469.08 9188922.779 9006539.907 9493217.165 9486423.111 7250215.745 8948973.113 8649730.584 8922870.2 7668206.036 9287805.756 8784018.765 10004915.01 8179774.858 6388686.092 8130081.536 10676744.12 6581539.369 9048659.198 8337036.645 13328631.65 8749081.965 9138030.675 8652978.643 8373174.781 7995622.622 9426038.036 8896977.206 8184805.584 7606388.133 9576547.577 7697244.021 PC(36:4) 13739675.57 12738981.62 18798076.75 7413287.316 6493605.925 12984926.64 16108791.34 7045229.809 6314110.296 16610559.52 18495207.48 7556212.769 5341816.818 14084151.68 6777421.112 7425519.576 11651458.45 19613247.76 10220840.48 16303204.5 12841073.69 19622775.4 8537516.979 6457479.593 6210844.435 17742272.6 7749367.315 6060081.433 6376228.429 15381894.81 10326507.07 6354842.153 5606659.894 17081883.17 8800845.163 7136368.95 11054629.78 18035752.33 5894742.064 5655445.951 14285279.08 22871555.19 9616739.557 11389719.04 13539184.75 15451654.55 18555037.73 7728023.33 14267374.65 16915828.22 7123121.47 7078765.63 5058289.181 10705541.1 7469289.231 6329111.2 13576899.13 16474595.9 6948111.746 6873918.447 12147100.61 22391161.63 8532603.853 11283536.3 7653819.184 16294885.6 4877779.944 7013690.523 6615774.084 20225654.58 8341128.468 7604364.338 3363398.599 9904639.101 9050164.995 7907469.028 14010559.78 12368655.93 7209121.604 6206637.075 16668280.83 20795290.86 9840122.281 15879899.83 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate 79325.78145 91139.31314 107676.2648 95725.45045 110374.5294 107409.091 91306.13273 113604.1495 100298.2721 89059 79910.2801 103954.0142 132832.5419 96608.71025 122548.0318 115324.1862 95410.53806 113121.268 134928.0232 174180.0823 73373.71037 96004.13665 93514.5984 79388.94077 82805.24712 96359.64188 91677.65539 73672.49686 122443.1187 85073.68106 144081.168 97521.91778 102181.7851 99608.93602 120506.8659 112182.6061 88112.17176 69569.0836 109445.3702 103673.7094 82404.55343 122845.6052 133642.3401 148690.5871 81299.13624 126256.4765 117487.4916 94861.65776 90035.85757 92771.43708 123690.8927 106502.943 109127.8823 94122.06492 116249.471 104903.7812 82031.70206 105808.2846 130139.722 98501.30756 70905.34904 98060.73124 172786.2396 154640.5303 101884.5088 117398.403 66234.19344 78305.84733 99608.28446 86921.07734 93662.01994 101576.7751 119934.4483 103935.048 127899.6034 111860.8358 79499.38905 86362.9777 117267.3454 100411.8065 83274.57188 98688.13632 140930.7585 131804.5663 LysoPC(20:4) 176653.7408 195204.8328 254013.1697 138912.8297 128609.5339 264409.6905 264859.9808 146159.7423 132885.0542 235771.6372 342457.5734 122150.9861 135455.5074 320688.0418 150068.5363 142298.2119 409827.6028 414594.6023 239241.1296 196927.0772 269605.4124 220203.1829 148464.112 158825.9424 122645.7025 235725.2747 189235.0241 129119.6052 138548.9285 382839.5643 290758.4307 124070.4047 95219.03221 283764.1428 171607.6989 96118.97192 393939.6202 315491.7224 233659.9338 115469.8113 334786.8359 448246.4069 235861.3304 190209.8858 378632.8214 162580.7381 256310.3773 122507.583 226738.1645 325379.9935 186438.9805 124944.9349 157857.8209 360794.048 212572.4372 167676.9012 225914.2844 244765.9746 185253.2598 121191.7208 260109.9847 426502.2649 283816.3831 218109.373 139615.1327 202951.464 0 107080.0035 215337.0576 268283.4672 199037.5609 100280.1552 162678.1303 458991.6404 272589.7066 95474.51616 218675.6668 323102.7354 190105.7452 104170.3625 473462.9512 318955.3227 283072.3681 289910.0216 O-Palmitoyl-R-carnitine 4557294.431 2553517.511 2744374.91 849521.907 3174559.71 2966231.91 2983958.948 1123784.081 2873065.471 3007822.584 4003543.053 904707.4497 3023565.333 3394246.874 2914766.399 895492.104 55966834.61 15560923.84 9065441.121 9901032.873 8365563.578 3511014.725 1948760.392 841851.1669 2465323.994 2653584.338 2631147.766 959444.7107 2663546.265 3744173.949 3426800.168 826687.821 2225935.184 2983276.479 2773066.798 967185.626 14463140.63 3492303.866 2522080.024 899273.8997 48380530.8 15453753.51 8780501.335 9187706.689 10675126.44 2685380.809 2516686.989 954780.5758 8970505.021 3233684.125 2561015.801 808309.328 3167638.16 4091554.322 3025204.565 1089065.504 6715747.446 3292392.368 2711986.302 984469.0002 19720292.96 15566458.25 9374607.679 9069677.912 2434060.064 2454682.658 8954276.51 876624.0695 2582371.905 3302601.266 2783363.975 756937.7804 2668535.838 4998356.763 3404688.546 739465.5646 7154328.206 2683448.918 3171116.662 768823.3773 69451170.13 17824535.02 9664405.812 18514992.37 [LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine 113573.4723 90172.1025 155872.9367 77856.39818 137006.3214 163913.2277 140823.4893 101008.6247 88183.66926 150974.7741 168330.3086 101497.3134 101420.4633 164819.498 131260.5012 97216.91839 243405.9847 216609.7315 159549.764 137764.765 117681.6648 138154.0116 95708.8603 84660.42748 105251.7063 107539.7642 106108.0929 160458.12 112353.7473 162459.1689 169901.2274 108935.8389 71384.39013 162510.3348 150378.1516 107137.0185 210792.6027 187633.991 126182.2683 106625.3395 266148.2156 205606.347 142607.4541 128567.3502 134727.4728 124162.3864 157644.775 93387.7965 152585.0199 127885.8662 177930.6725 80656.55004 103632.403 197814.8976 140618.0296 111654.5989 126856.35 135324.1301 152006.5758 91795.81402 204811.4104 236854.6375 151332.1135 116803.3917 78661.90035 93272.13104 160782.5902 87136.74543 88249.5245 120685.5795 117654.7155 97522.82546 110065.6362 183535.9311 187218.2591 107446.8183 196481.3002 111675.6099 159211.851 111999.4522 265642.4495 167034.7536 160445.2941 158253.3759 Hexadeceylamin 1367444.951 823474.4959 763204.2326 451606.8728 470218.7344 543534.5234 576550.1499 409578.7215 441122.5239 711508.7029 822394.8193 275476.1818 325120.5049 707790.7866 483483.6809 406689.3472 263353.0855 270922.2185 143385.7964 0 1318850.627 1131078.018 589202.4873 215742.2156 422331.5986 834062.9301 420762.9349 221917.9479 407513.3945 827762.7945 683805.593 468169.5249 461128.7282 870624.2628 517773.1634 521350.6338 1744438.313 1068786.736 483846.7969 681638.6756 298556.7834 252957.1306 142605.5464 0 1885337.118 898936.1104 600009.0855 394965.6689 1055747.172 603127.7985 439692.5246 394185.8555 374260.6677 618655.9353 433295.9524 325120.8317 1040358.507 673537.0505 406544.5449 288089.1191 282516.2537 282767.1345 242301.6545 0 836912.7775 745020.8048 641391.7852 364061.4718 324123.718 744004.9174 488944.5641 480550.6499 270569.8943 678348.9227 553854.5565 359576.6157 1308267.108 560225.3865 348180.7713 401457.5647 306905.2996 282557.8224 115755.7913 88163.28931 LysoPC(O-16:1) 748029.9743 630381.5127 837073.807 576819.0192 659617.1377 840307.5779 890423.6907 785269.6264 554950.8121 731922.0424 1062077.627 732211.3562 587188.0582 922456.0574 829583.2253 547595.7412 2350503.485 1547563.965 897365.353 800633.3442 1227124.213 809334.9474 555830.0805 509362.4493 558663.2805 782757.1047 771757.0295 658325.9812 604429.1703 994347.6241 1225199.295 738202.4834 645975.9631 762535.1059 775418.668 546682.1097 2019446.871 898099.3262 719491.9858 615843.0042 2273881.199 1475534.816 1075206.256 708456.5171 1385100.368 623932.3336 829710.3298 742367.3335 1339667.181 945985.0727 810179.2694 591350.1439 695679.0309 1323628.084 823782.6947 753600.4589 922380.9111 844945.0834 730084.106 587521.423 1008105.032 1403492.293 1151716.992 740761.7928 435788.1332 636481.3374 2597730.31 572469.885 560252.1959 920660.5955 835229.2463 612606.9798 715423.9461 1273185.755 1070767.635 564116.7666 1071566.576 709594.7204 765216.0775 609898.2024 2747178.307 1383464.087 1058798.475 1355307.757 Ala-Ser-Ser 14405.14674 38649.21346 40770.63785 0 50300.49909 33577.96911 46157.69624 0 51713.93786 60418.13461 25047.63482 0 33252.9453 31889.88392 42667.99768 0 57226.5513 94162.32492 103533.795 48607.19698 15311.27354 21165.99299 47686.66793 0 47923.60603 37966.49167 52027.90534 0 26616.00385 39995.48259 49873.8189 0 50225.53088 34405.4833 54330.4192 0 15931.52257 32615.74518 42092.86371 0 66091.77964 83513.97943 92948.76039 66532.90138 35491.59505 26366.45532 40839.35671 0 29764.14233 31185.06514 47909.33343 0 70147.94003 45184.40896 42588.79936 0 59574.07081 54646.26513 48704.68774 0 53346.09299 71954.16803 89883.9405 66275.20399 67599.79569 29624.9629 0 0 80120.40052 40261.69698 45811.72106 0 54735.22378 45338.99549 52475.65255 0 14527.43881 43985.49699 49520.64952 0 56271.40711 70581.76895 128720.7976 46721.45316 2-Ethylhexyl phthalate 892332.025 710604.5571 687831.1431 316243.5104 489033.5667 539533.8624 640371.2583 454111.0075 367364.6496 771784.04 2096098.349 392000.0495 305094.7775 648825.4845 657898.0032 517969.2119 1418706.477 1021412.456 667558.087 861667.3494 1299625.832 1036462.295 591507.7236 343305.1236 572876.022 695584.0774 567126.2119 559995.3516 373521.6533 810685.7214 1518015.363 596369.3371 343977.3349 618342.5011 1005794.024 432843.7801 1658272.31 878389.8643 652115.5049 480588.0198 998220.3779 1506147.156 563471.0599 600472.7739 1539812.459 699871.9547 734473.7977 795465.1843 1066572.757 768847.9811 1279908.843 837988.2385 590368.5074 633474.746 1709453.913 638775.3065 1233987.608 479792.3527 750601.5275 526836.638 625906.6336 728135.7982 1096527.353 656369.1537 456714.4821 584972.1279 2762050.291 267852.9206 538098.5271 866010.4186 817044.9825 336072.8259 235493.5536 1142136.688 805956.293 364441.8461 991154.15 467576.6192 550434.7457 714928.5222 1465974.026 2384998.032 788840.4862 958843.9541 SM(d44:2) 1070854.524 698069.2607 492653.6577 406800.7999 272268.1581 321524.3567 417992.0242 383035.5328 216876.1091 439103.6014 762968.5798 426008.4929 171073.9276 206597.31 356684.2322 370722.3516 332369.0245 210265.1219 440785.6608 448665.8164 1010985.248 908922.4306 320213.7146 373516.2402 266298.6979 653956.0924 283197.0357 391661.2937 205373.589 224595.0476 112050.6894 373786.7696 206048.2608 544433.2834 360010.5527 372239.0536 839923.8617 757730.0578 176623.0117 377607.9016 643805.2677 464944.9602 346786.1354 276737.6882 1026873.284 1004728.919 640838.8662 367654.0281 736610.9908 320116.5358 227183.005 370152.7231 72200.90092 141276.9974 294254.8373 432242.8697 725972.7885 450567.0353 426094.0599 454512.2384 518390.9215 516482.9116 357319.7632 321150.0418 419870.355 862419.2438 249598.1304 311467.2379 229199.7687 709937.0637 166626.7516 360276.1647 114400.6966 74951.45707 130080.3884 371351.2581 781200.0048 212303.5117 357085.2407 368607.085 721905.8473 623012.8911 252489.5482 457771.0078 Triethanolamine 30751.53989 72433.28262 26286.83142 29392.16312 46104.07234 23077.19248 20915.74147 36976.12574 20753.86042 17646.8991 921809.901 49018.97029 23464.00167 31668.73582 20517.47871 34565.47953 24877.00357 11620.31822 16073.29756 42613.00095 21874.73281 20476.68871 16935.99249 50066.29291 25706.85655 25930.41553 9319.663753 33329.91972 30917.3359 40098.54064 24293.13309 41294.42031 19213.35385 20869.1017 22469.28339 54064.20733 58611.24047 152344.5897 21390.12836 45433.0607 15473.88669 16084.50811 19827.08249 28491.95462 22557.27649 35990.22495 21742.82736 52477.334 23282.52529 19122.08966 22585.34898 32722.99323 23805.088 13240.14068 53268.79793 38517.25847 21612.71271 12527.63083 20423.92863 37460.45585 19966.5462 10404.70046 16114.61085 32091.97794 39989.98618 19124.56002 21760.5521 57524.08368 27147.00075 15218.16494 29880.45518 38802.36224 93565.66592 34535.52798 27421.71506 54179.00531 14236.31264 40714.82636 24426.87627 36345.44388 37928.53558 9329.527697 33050.45236 21581.11 Nebrosteroid M 843920.1674 546566.9756 712244.7315 285338.7759 168846.7511 416433.7225 600241.8645 405644.3778 132355.7213 566548.9844 826833.5788 372931.2664 117016.7295 353408.3529 250360.3268 403060.2828 227086.9252 234039.2832 182024.8784 281849.6041 836107.9139 751613.6191 260863.0843 323417.3711 115503.3317 463930.8381 306464.65 359849.1275 148465.0652 359551.3496 356989.2049 365420.4454 142433.5318 521496.5214 228725.0342 310744.8527 560788.1839 631071.2859 216298.0321 330345.5792 242612.9717 359783.6647 134366.0389 213389.2573 769893.9702 561699.7859 636836.3637 495023.6465 595909.8476 375752.716 214864.8975 277990.671 118779.4008 330110.0715 234252.4028 376596.769 453522.1457 467684.0555 203082.3783 437497.1146 215051.7865 348123.1108 170802.7478 204504.0527 195266.5848 635478.003 277697.3379 352053.0938 83026.94421 652345.9524 259512.9824 349816.7177 81021.23927 399302.8241 336733.8768 365001.8325 567383.7328 452058.0733 202041.8204 381942.4204 356658.9025 257292.3991 188894.12 335631.131 L-Methionine 19612278.84 19496180.56 14561890.44 19613881.21 23319409.52 19221781.17 17052098.94 20203541.98 25450397.72 17902491.92 15316343.7 20496240.29 29714904.48 21432404.72 21220831.5 22272595.52 18821586.73 23422432.24 24085632.78 22333156.86 76076.63377 17286730.71 19892414.56 21607101.29 25466454.62 18880814.15 18039510.8 22046992.7 28896155.23 17211093.12 21857773.29 21066763.65 20956042.49 17842957.17 23614148.9 21061259.37 16766188.5 16124128.82 21418464.5 18316454.46 22335546.84 22098867.51 21407698.49 21488603.25 17184349.88 17757871.65 16903953.86 18988359.1 18624477.09 17765869.84 22971545.07 20315591.66 26984373.23 20697379.46 22346415.05 22493727.09 20365348.7 18767452.03 21286392.36 19871744.85 22119720.24 20167381.88 26387784.58 23352635.25 26296112.71 17450551.25 17189433.09 21750850.85 24390837.87 16726701.68 21733695.46 20273490.1 27077062.72 19719236.03 21702822.85 21039474.61 18653112.14 17656704.48 23128704.44 19914410.5 22131772.88 20169868.58 23809581.59 22051563.95 PC(40:7) 608265.9639 439191.8303 510952.4519 316707.0174 270569.8943 353677.7701 409229.649 300567.8343 226055.1603 437331.2605 660662.764 395820.594 165129.5661 329920.4876 153537.27 318695.7209 338168.3325 414191.8266 248923.5984 634418.8243 514609.5952 467316.9072 231425.6457 361801.8865 205097.398 444599.7368 221456.2145 352245.1151 244056.1179 430851.7066 257546.0444 250098.1564 151142.3521 445404.0255 214582.2912 327840.0079 456958.9555 440614.0009 103129.725 260878.2354 428575.3903 477531.2698 220127.7956 412398.757 595640.4857 429310.7809 412985.853 365729.5603 568108.6507 383568.5034 141925.1731 276883.0407 142304.0988 305007.9473 209628.3979 315002.9319 525111.5954 387528.5917 197706.2338 346984.7539 354590.5034 517892.9509 229223.7785 419459.838 224141.5252 469175.5859 0 254565.7547 177830.9959 534630.0826 182753.3834 291652.9871 101237.443 223213.0009 204396.3838 314605.5383 478832.9534 377092.7588 144637.7807 352134.1336 414977.3684 452539.341 239331.2674 653721.5605 Bis(2-ethylhexyl)phthalate 1889346.804 1288031.093 2247073.61 1161539.981 1278452.484 1084613.797 1967967.319 1098991 1156575.533 1065369.22 2733019.29 844019.6705 1021361.231 922777.4341 1255815.238 874680.7966 1658899.177 1987263.296 1925351.936 1614854.925 1978207.531 1484395.798 1342855.694 1150591.518 1122322.794 1059467.118 1338251.898 1075505.8 1074618.695 1036640.456 1777056.008 971109.4763 987315.5922 987106.216 1262847.977 831047.1576 1325717.84 1065526.794 1346215.662 993382.2774 1835432.244 2660862.05 1616793.014 1252324.76 1776547.491 1399621.103 2442643.544 1142611.785 1225584.142 1006955.795 1373714.725 957176.0764 963181.068 934987.7244 1320947.149 892553.783 1115423.094 1008537.29 1311696.711 959621.8094 1575616.354 2275651.522 1733819.042 1297087.757 1644121.813 1387181.589 6379772.143 1120060.192 1045454.589 1103557.584 1809486.596 937617.2403 1173627.079 993996.0395 1516299.35 951393.7287 1218319.004 1065629.506 1453879.416 1068202.459 2171787.4 2394589.86 1595985.028 2056591.958 Acetylpseudotropine 81885.32408 41826.24798 21680.17919 42558.90431 105493.6393 33405.29339 25627.29224 31671.89167 90355.27452 36751.78213 27188.24568 33370.21964 106536.3612 34780.09428 43422.32848 44595.17716 89783.52782 30312.40231 37327.95368 24736.64945 76907.70475 27710.38569 23463.51951 20835.73533 95494.48829 37331.38783 24835.94562 29802.10055 100301.4105 24968.80204 37326.17497 43284.2021 87685.75737 31985.04996 19878.50736 40145.93283 64335.13129 29928.04731 33777.55542 42491.82711 78764.7361 25902.79083 33152.98445 45101.3713 72752.33601 30721.75757 32476.36202 34748.55186 68475.52244 25330.14117 28139.83789 38098.97534 112889.9731 30364.45171 31693.62428 41042.63175 86458.36408 24931.26267 44563.92783 39278.52554 86005.95954 30465.71668 45515.41563 30669.16942 85265.58386 28099.90634 23505.4926 46690.78538 112529.1582 24989.29761 42881.76507 38674.11629 114644.6886 34322.54307 33881.16393 51234.50433 73209.30057 35924.75906 31885.50673 57980.60983 70253.69288 37179.13756 36074.19304 22987.42 PC(34:1) 52299410.24 58045446.67 67514219.3 35614679.03 31773856.79 47543235.34 50503237.71 34413688.74 29692130.68 64227496.8 73691842.32 37513413.96 28258291.51 53537272.21 28441197.41 38181592.31 39037365.06 43603005.35 29329368.33 41316340.18 47287763.44 69614131.79 36796698.18 33137814 32946112.62 66035410.3 35697905.17 32514682.52 30303435.52 53046750.76 32184280.36 32481794.17 26399170.41 66467129.54 40431605.5 38058065.17 49008858.7 72059895.27 23825966.32 32147246.6 39304248.51 51074655.34 23163798.76 27487188.61 55285004.42 54311412.65 63606040.34 38466108.89 53054129.7 58652871.71 27969171.29 33830255.64 24113695.23 36844903.96 32797400.04 33214141.7 58485103.95 70059492.89 33189395.43 34937300.26 38915711.21 49076518.63 21700480.74 27708937.24 39939284.17 53738452.51 26705012.12 31860401.24 32030232.37 74075393.14 29175583.4 37385059.73 18051375.15 32505224.69 27677689.06 41984176.8 61099305.09 46965041.37 32118351.83 32906192.58 47226795.69 50581027.02 23809581.59 34672270.36 Heptadecanoylcarnitine 1086061.104 721712.2568 706582.721 316065.6951 810575.1262 734532.5061 620479.4407 390642.3114 755180.2256 669095.6001 874604.0447 268870.6586 792375.6643 717941.9827 636360.6203 333669.4499 9556322.071 1875166.291 1140449.491 1343440.442 2161245.189 937542.7011 507276.7945 349466.3937 665783.837 654457.3472 630968.9696 297227.1285 662271.7324 779202.6203 892655.326 346516.1282 654397.2191 721208.4705 734783.2162 304032.6155 4074710.283 764965.5529 609806.2546 321084.6139 6850972.812 2040749.09 1091007.709 1059776.15 2778605.011 703854.0709 595071.1654 316754.9791 2047566.895 806492.1805 661785.9925 317283.2758 940591.5827 899726.4046 680424.1226 386055.0521 1918102.752 635570.1129 702924.7329 297373.6142 3655665.054 1825469.933 1183767.843 1065352.219 636501.7405 847101.2569 1990437.359 413025.7452 697805.0739 853999.7294 667585.8155 287789.3412 692912.6613 949043.6098 762604.1356 275058.1083 1884391.689 587348.146 672128.3334 302589.9252 13149421.55 2543329.351 1338047.088 1862500.402 [ST hydroxy(3:2/3:0/3:0)] (5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol 214284.0737 112626.0894 184315.4942 56994.18457 45650.11759 103509.1319 283122.2118 136828.2464 0 171046.2274 241779.8416 72417.41568 0 211713.4491 100188.0184 129755.1962 107847.6764 157238.0067 155791.5637 170444.0825 227262.5771 218421.4196 92907.12069 61547.32972 0 213703.1976 147973.4444 113746.9082 0 187231.5026 197330.3261 128524.1227 41393.35773 204883.1298 131890.1409 83884.6997 157183.4059 196973.129 105438.2611 122231.1368 126029.2973 214735.6277 119546.7347 75201.07078 181056.9113 164796.8506 220268.4941 99035.40343 206483.8855 144913.0498 114687.5622 104775.4774 41287.57872 165685.6451 109575.763 95119.98949 209128.7822 177160.6206 93133.52569 73777.51374 84004.4763 180566.2309 139102.0617 105437.0254 48737.58252 212454.3039 0 114051.5965 31364.96723 237141.0263 141010.88 122789.1566 0 245669.6878 198963.745 63262.73702 165315.8488 195538.5212 155599.9684 142999.1733 199324.8438 156441.2117 167937.8444 225525.0025 LysoPC(16:1) 208582.7316 152946.8788 244235.9979 145527.6918 121219.4121 197156.9724 225119.2932 146950.1213 142736.6115 175972.9164 260822.5677 124409.4251 118043.0954 202751.3415 186991.6961 106137.1792 339680.9682 303124.1624 254178.1935 159782.9546 203928.7187 261332.9911 175080.3681 122387.0967 136013.0312 175363.3 182607.1315 167773.6341 145903.5659 250221.752 279124.491 166958.0461 136531.2391 238011.4127 187824.5496 129172.4766 322584.0577 245933.3267 191402.764 109361.6957 380742.5688 349455.5832 208707.9305 161781.8946 287844.2884 143259.5305 222677.5532 200168.0601 270569.8943 246185.8395 199254.782 137684.6038 170819.5301 297436.8994 238931.3694 121894.4942 172515.0375 238697.2037 178042.7388 147682.9952 228723.8356 328771.8416 156921.2623 174115.3314 99756.83762 159743.0937 452394.9277 109991.5892 136789.0824 232440.8551 206764.2015 109489.5683 134468.2732 325582.5953 237562.4104 133253.2192 229159.0009 174037.9824 243160.0612 128971.3381 509002.2435 391295.7436 250696.1969 241398.4012 CTAB 190391.4947 1179221.358 319980.5397 190562.1792 49984.55332 136369.4633 245537.9345 171009.0416 32598.47626 191849.915 461749.5168 175569.0052 47630.86841 126299.9582 222795.4793 219381.615 24424.13248 51313.37157 83432.00565 64674.15856 158292.0301 394226.7409 184563.4684 200650.4214 26224.17869 228073.1191 180543.1281 190721.6269 21491.51179 155644.288 104612.7941 189374.1383 33982.15634 193722.9046 208497.0323 170593.4874 115415.1353 298449.339 93552.69313 172003.0135 22633.38856 82398.45386 77672.88972 51822.2784 174040.7007 337314.0151 362887.0792 179035.4662 125047.2915 147015.734 156245.5778 174200.9806 15714.03906 80499.54267 183869.0831 191478.7043 101876.3106 202498.0475 199802.509 195851.7147 25671.59901 95569.25319 82901.97358 49145.83179 76513.9948 309949.8873 269599.5034 178647.8978 32665.68848 293830.8104 150624.9483 194059.9048 18701.20949 80299.4557 101470.4101 195459.6955 90497.08908 133319.5885 138338.6589 185578.776 28011.06402 94048.99329 66571.29635 78395.89404 PE(38:1) 1597657.093 1627039.487 2153516.111 988840.9827 1274903.59 1401888.338 1652114.737 1358169.335 1029319.538 970285.1864 2208138.667 1489975.889 1136280.832 1793290.747 1017215.715 1634095.063 1191721.751 778232.9029 619752.8275 1269555.66 2109223.044 2391010.508 1242019.188 1624005.185 1297372.058 1852911.629 1063050.665 1409339.998 1193834.451 1460564.853 1069274.847 1201203.662 912189.1443 2180754.598 1208304.63 1409779.389 1764234.852 2369601.763 706747.5325 1247178.014 1039161.81 1257363.843 579472.3215 674650.8344 2388065.274 1944841.094 2205100.536 1712506.641 2287814.106 1612188.616 716577.4018 1553187.254 948140.0305 1095228.487 1080181.521 1296514.62 2233486.286 2086665.311 1020218.34 1645223.695 1146652.462 1010787.358 494151.6833 831322.214 1846286.245 1791250.692 695373.5116 1325553.398 1315427.224 2317335.812 610998.7673 1587516.224 666572.9369 879590.2545 854670.6733 1620937.75 1948157.975 1081713.465 801535.9985 1355664.604 1327662.021 910796.0189 558196.5312 984614.0323 PE(38:6) 1656708.474 1408738.482 1537588.522 2212305.664 954957.6915 1014212.745 1220887.835 2018117.55 937626.9984 1358314.778 1327851.772 2468415.349 763262.0982 1160845.524 746940.8543 1828635.305 1055091.969 983913.6688 834088.6851 1603670.667 1702419.868 1546913.172 458351.1662 2346125.807 901705.2729 1138711.627 807831.5253 1998144.192 830110.7813 1288204.59 975745.6289 1885421.983 759024.6838 1341649.158 774367.9037 2350540.697 945028.0003 1447303.361 622843.9147 1658053.585 943768.3076 1181518.849 736734.2885 1514231.444 1214401.95 1436077.351 1610778.353 2543254.815 1044479.257 1179840.66 737326.8116 1849392.831 646142.3721 1016012.278 703465.0927 1955703.342 1145438.485 1050081.614 786360.8204 1786387.372 848333.9174 1185127.953 657706.3621 1654290.148 1056877.697 1674425.463 450330.9167 2161133.905 796154.8573 1387541.669 852604.099 1866763.672 619498.2039 923170.6665 912848.6265 2122628.761 980143.4251 1090733.397 711456.7315 2035454.505 951611.6574 1118853.197 842951.1649 1804294.675 LysoPE(20:4) 611830.5925 467974.3823 493973.1221 207154.6356 349894.733 613268.3082 471329.3571 239646.6483 333026.1129 539869.5421 739471.3131 314396.5143 313269.0467 700335.3169 411401.6179 346811.3341 1115180.881 691386.1308 463723.4488 268663.3871 751315.6164 499021.9248 295171.6298 241882.5231 290670.223 461107.7592 399359.9128 214237.7725 328558.3737 647519.466 738243.4424 262904.6549 372140.2772 706321.3873 438512.4578 272021.1178 877825.6963 590370.3277 409705.3396 271724.7479 985796.4273 998052.1774 435223.1619 274273.6648 858133.4371 445837.4209 465059.613 214686.7833 819111.2304 611382.9246 409127.629 226510.6047 556589.0001 839166.5521 386572.1634 290700.8228 640600.9096 547083.5934 387935.2965 290897.3317 464771.6886 569674.1896 383365.5482 277336.6685 621058.3443 483027.5748 780456.3453 190666.2481 308892.6464 543263.2688 439939.3091 235988.0747 322158.2745 926248.2522 616857.2691 251773.6233 697390.6911 658171.9774 421725.2511 291269.7089 1107924.306 474318.4993 431197.1785 540165.0209 PC(40:6) 2604537.777 1759142.726 2027086.138 1819482.593 1204193.752 1472154.683 1914585.724 1665471.008 876479.2955 1984340.12 2175109.55 1969199.921 826508.4759 1415650.463 873772.9103 1648044.913 1502081.625 1158602.768 837101.3889 2330301.886 2275107.55 2449386.951 843639.1158 2085658.824 929948.9406 1887409.201 1070401.528 1549813.153 966824.3676 1626846.046 710947.6874 1554680.987 887329.358 2212429.229 861880.9266 1699692.82 1979277.801 2350241.796 596933.4876 1316721.55 1831552.725 1625537.061 843766.0388 1378657.341 2590862.3 1814591.718 2002101.937 2011369.833 2699725.173 1671717.03 779596.8108 1830762.212 649604.7686 1139111.838 792234.1024 1737502.943 2526309.757 1807749.341 914238.388 1790668.231 1553629.633 1734268.508 664618.996 1551812.071 1116487.835 2700950.962 336597.0455 1751257.63 838853.7227 2276715.742 696555.4256 1964412.843 442127.5038 962129.5514 761811.5871 1763799.337 2296839.771 1811701.567 827923.9411 1795746.998 2039062.047 1327596.385 730352.875 2213030.121 PE(P-36:4) 891844.4189 1406619.934 1470799.088 1256682.918 1004914.881 1211690.986 1113089.908 1207097.954 933770.7918 1474842.698 1635029.443 1302972.183 862512.3068 904276.5126 698683.1646 1357947.047 1187426.894 1254942.311 660030.0492 1633721.79 1524475.708 1884334.971 860263.8495 1199713.393 928544.1112 1342868.138 737106.0829 1307389.331 1024603.25 1184013.662 973981.1946 1103208.989 929885.2067 1498308.102 758532.2097 1480528.016 1121333.742 1640626.99 545231.3483 1168504.987 1013892.355 1347432.858 818084.6404 927627.5042 1364197.407 1507891.077 1663465.029 1543396.217 1459385.832 1375272.985 787912.4882 1369854.406 791217.2283 1139687.038 692432.0283 1215879.992 1254217.079 1263189.322 689669.0121 1143611.869 1044395.994 1342271.349 630081.1076 1069119.439 1058654.335 1774175.876 942014.89 1309769.352 944397.3651 1632340.362 761715.5499 1145581.922 689419.2742 965926.1797 879595.0368 1485873.208 1162316.972 1260940.443 710461.0517 1269835.154 1247444.414 1251316.268 767192.2721 1311316.88 Undecanoylcholine 334372.8376 236615.0388 245647.9428 151567.7188 159221.543 209047.1585 200710.4381 147634.6189 129111.856 203671.8318 388458.2384 132604.4705 106435.5894 238845.616 169806.4274 130931.3215 405905.3498 187352.1808 154895.5737 129710.754 376348.2707 389682.0756 183957.9584 73920.84437 111991.8577 236821.625 148050.6006 165370.538 120781.2599 259593.3014 290141.153 149496.0801 136804.4728 220219.9998 223647.965 122236.4346 451503.4957 259748.5728 145932.2537 128671.7492 367312.0634 278389.9282 203198.2704 116028.9305 418788.7904 287785.5166 247357.375 182842.7423 351252.2183 145906.961 194261.019 184313.9956 118590.721 199228.8514 194530.5747 147436.3008 371939.4237 228401.9878 186071.8628 124858.6354 252963.5342 200234.125 137122.9643 125341.5539 172064.7696 252136.1605 312505.4923 146613.6589 108071.56 245408.4226 212914.9113 128389.5775 76146.58905 238860.5579 204787.0703 151966.3718 396473.6083 198036.564 210391.4055 161219.3624 377179.2636 293772.0837 193118.7695 183612.7286 LysoPC(18:1) 2242053.002 2245018.562 2916740.036 1475310.336 2107587.096 2813381.942 3348812.731 1555807.101 1713020.083 2613678.23 3537023.118 2107833.351 1861357.639 3238841.82 2428829.609 1545227.757 7295354.069 5342174.163 2884558.707 2256692.359 3836254.715 2854682.529 2140039.192 1544518.581 2073050.881 3120402.98 2913305.723 1131791.866 1961246.791 3532766.849 3874579.458 1866730.335 1409209.489 3228573.167 2662258.929 1606507.601 6608854.729 2676366.846 1961388.83 1812225.098 7892419.379 5355121.592 3123677.566 2340214.059 4890400.4 2079423.132 2629351.056 1860283.423 4051097.154 3644991.638 2348172.38 1634452.345 1886209.723 4011400.598 2572934.154 2061932.72 2766549.505 3325613.943 2246250.897 1807186.619 3068606.179 5088644.53 2908060.374 2180651.583 1339618.466 2343596.753 8929627.068 1503593.43 2119373.516 3327127.005 2515362.352 1390585.074 1915039.561 4254320.274 3392143.304 1374296.112 3244668.856 2607013.537 2567849.573 1554147.622 9069035.658 5191256.669 3539412.033 3972401.322 [SP] Sphing-4-enine 679200.0862 486240.9742 405564.3689 139937.9131 333762.823 484040.299 411140.2097 168243.5761 358482.726 549104.8401 565040.3739 218093.5159 448622.2877 152236.9132 940587.1606 278358.4302 1268045.277 731565.1757 735020.6891 255286.4077 493387.8101 533275.7861 415531.0897 126745.784 283366.5651 425098.5064 538581.4651 159971.0512 371220.8965 502047.3783 414653.1733 226607.2359 441939.9162 741469.1589 743815.846 215631.2557 1070982.091 903553.8945 731719.5008 292857.9413 908291.1919 708754.338 698858.2371 250722.0513 696398.7623 537937.2097 411568.6235 122514.6868 640922.4535 490024.5546 550656.7046 168295.0589 449167.8703 530367.2263 810357.4804 248874.0364 895261.7626 724175.7865 981738.6242 287356.0597 1050862.17 698674.5506 846119.9724 295047.6695 484821.9252 410194.3478 980059.3005 147528.6082 342075.0582 610986.4623 466579.6823 190685.1796 365789.9635 719994.7787 708042.7886 250607.7154 973330.6868 654651.6719 989257.5643 324651.447 1221060.494 759991.511 677424.274 263332.8596 Ganglioside GA1 (d18:1/24:0) 305879.7006 253371.2998 356255.1189 396559.1279 107127.0287 131825.37 282022.4195 563774.341 105521.8853 240129.6165 517928.4386 469550.8079 108888.5939 96093.39624 155639.7062 203207.5462 281757.3483 123897.9169 216748.8508 329452.2394 198318.1377 310356.714 281573.473 361021.778 150284.3188 236374.2137 237509.3942 367574.3752 94907.22445 92287.62734 165757.9451 392430.1594 118411.6688 311259.9759 271770.0715 572292.093 305034.3723 1039094.755 117438.9248 469746.9684 327654.1358 337509.2522 135902.9402 132140.7915 219657.8675 341943.4217 380156.7284 365221.7258 275399.7103 114127.8496 114859.9789 287370.4472 69460.29304 105422.112 359894.6701 475628.3937 220311.9506 219599.2248 209317.6622 490645.9158 199688.4926 534292.416 228742.6517 301420.1448 264771.8559 327701.1644 263645.0084 351957.2318 153734.1568 786276.2687 113370.2124 598982.59 69070.67301 72988.57286 78285.26579 507109.9192 255759.0642 81103.25297 169253.3772 548546.4674 301166.3758 550616.3531 135774.8117 350511.9494 Thr-Ala 33559.07102 32442.95599 0 85678.81242 46719.77792 33073.78875 26302.00661 121861.7658 45686.78881 30241.51341 24017.34317 84180.53111 53488.89918 33929.79984 64161.53627 111396.6891 0 31178.91264 14426.58528 14136.54661 11921.00176 13389.89677 0 122773.5314 56002.85406 31393.72313 42608.00251 90424.68686 62908.59523 29371.89054 50100.02051 99282.37302 51918.82915 31242.76497 44955.57213 93307.41942 24519.38657 27007.75831 64486.47995 102861.4863 0 20871.30826 28382.35972 32688.08728 26201.50423 13794.88643 29304.22329 93175.82151 31910.76951 41594.25974 50114.31339 110913.1716 74138.16003 41530.80502 48778.03743 108050.495 33696.77847 36520.81613 46859.35234 94178.94315 11008.20155 13616.35558 21952.54369 22036.07995 41914.19598 26762.13307 0 112692.4475 61347.78938 15725.96315 47104.41874 95469.21921 52442.86476 41136.93125 49996.38855 101791.3711 31788.72762 38812.1547 45242.34037 127389.1056 0 0 15452.16654 0 Glutathione 169529867.9 209362393.5 174080781.1 286982051.3 250846237.8 237204959.1 182130929.1 286136288.4 258274406.5 216860082.6 154608375.1 246559938.5 269958936.1 216073631.3 254473871.6 275132062.3 177261504.6 237466181.6 266630621.2 238964778.4 3694085.43 206739955.1 231366710.1 278399189.7 245760191.5 219169249.7 228034661.1 276976925.2 254248638.6 191234368 232346409 257070199.6 240404816.4 196187965.1 256183017.6 283588009.9 163977008.4 178695242 240750182.4 270074251.9 164951565 205534921.6 245854037.4 271834627.7 159692948.4 212171973 193412681.4 269164884.1 176847099 190409322.6 248127757.8 249367348.3 256447235 212326565.2 234509907 317783718.9 194080032.4 210603081.7 246748384.9 278204428 204701139.9 219310692.6 249121518.9 249951753.5 222251664 190684831.5 899477.6938 297159511.6 243908378.7 192015708 254546394.3 250163708.1 298057589.7 205296155.9 237237334.8 296637637.5 177411822.1 225862412.7 246124326.5 260783947 173164917.5 188408462.3 242488727.6 203179504.3 3-Butynoate 52832.24251 42097.37539 38591.90549 45215.48033 99021.68301 47300.49086 38272.12655 38182.23612 90405.06333 42279.47211 36516.11687 22672.40591 97604.6457 38078.10807 50512.7677 22869.50276 151303.7263 118835.0321 113489.0534 271943.3601 57262.10406 33486.79001 35751.85617 41062.17214 81138.42843 43274.78231 31766.31458 35047.21718 99168.16134 36173.81899 54383.43009 33689.79789 78934.64642 35772.89611 38904.08567 20165.85455 47877.40007 31076.27463 49311.90905 38652.52289 132845.5113 83323.33088 105145.5497 215741.5665 69416.59631 35334.16925 38017.68018 44724.10833 73155.29608 27604.77451 52623.13407 38591.71903 83189.11622 44526.37015 50502.87147 42385.7458 68778.32858 31408.59616 48170.80045 21715.88719 170566.8265 86417.86036 90351.48413 235165.0095 84315.02306 36389.80524 37986.54481 36560.24921 84315.28667 37023.99545 42041.41445 57515.59499 81912.74729 32795.37153 49272.71171 43552.75271 52235.21667 40162.70424 46012.99261 42471.99595 115140.0999 94696.61682 101590.3875 173852.0619 Ala-Asp 106455.8928 115181.9774 90933.38993 176936.2578 191795.3495 143106.9436 89666.00199 125744.5057 166755.2182 99905.28446 59676.05579 192591.9221 157787.0836 89125.95792 88587.35444 238928.7274 151237.9224 105545.0052 128622.2367 105857.3605 68294.44787 94818.53923 118169.7202 121235.5998 211496.4431 126551.6959 116904.4959 153138.1769 195230.4551 97490.54678 116933.8701 184103.9962 169923.6099 94791.92556 108909.6964 209973.9289 100812.358 86119.73042 96046.5459 193175.6317 144623.1838 126724.437 116997.8284 123428.8547 96652.15 97899.46532 103977.6698 163403.3179 133623.9754 100932.4011 138526.1845 189491.8284 203886.7504 91819.77416 114676.9509 227497.6822 110499.9465 71564.33232 99268.58848 112840.5478 201234.9047 107508.033 141734.6556 111518.8538 135559.6157 100193.1237 80275.27603 125259.2281 186017.7461 83986.81062 106328.8083 237875.3314 182123.0427 120691.6432 113213.1777 218017.4093 97492.74454 105646.7795 109380.955 190126.0035 113247.3385 77697.6148 135288.0633 76284.6832 (24R,24'R)-Fucosterol epoxide 1489007.285 1147199.782 1235840.338 612757.6499 390974.0271 741869.9481 1004334.07 707804.3889 318291.5404 1058126.324 1236700.291 799015.2967 195920.1944 889482.4672 364362.3373 613016.9284 1051626.656 1071663.907 447875.0635 1777443.843 2138176.098 1763366.985 494465.8768 750758.0171 327690.8571 1258786.963 567273.577 666522.5644 202999.9763 811959.6645 569134.6264 770494.8971 233783.5348 1213343.92 343919.7649 610265.6937 1289868.942 1287186.918 328170.7504 508642.9173 1460135.271 1664030.429 459654.8024 1346788.432 1893960.104 1558521.479 1305143.958 805235.5637 1529969.396 1033777.477 343893.8386 652710.206 191719.1425 714687.5384 420253.0646 629623.59 1230439.121 1171110.662 339687.5433 674240.9088 1121316.947 1823249.604 472747.5769 1304906.605 382988.5784 1480485.699 218778.8294 758449.8076 198900.3222 1494294.616 517858.8886 646885.0458 125074.8841 956772.9425 669321.7016 628595.1744 1143659.093 1165059.16 450690.1078 611376.7882 1810897.822 1832186.496 514387.4502 2553453.22 2,3-Dihydroxyindole 59060.58668 42124.42409 41651.91923 25134.33993 37917.3577 48869.6932 43401.69894 17426.65758 58899.02109 75821.84037 70215.29307 30319.88239 80570.6571 125172.5836 127129.332 44387.46094 85819.589 91894.03661 109896.1016 29719.91246 34412.17458 41479.84067 36346.01733 20851.70489 40125.12344 43476.74372 39336.57454 22192.11212 57204.56572 71099.431 96792.40795 37741.81834 86304.69832 122682.3545 134334.5267 41722.54317 128188.0764 144906.3223 145233.0274 55946.3135 59548.78517 88247.56674 104072.2902 27542.51773 46710.71289 44864.33213 37975.38959 19620.46262 57089.59548 72813.51581 99098.60565 35336.54464 90763.69168 126639.2469 136643.8939 42730.1623 108283.2499 162901.351 155015.0843 57451.3012 62460.03282 104181.3376 94558.05452 23404.53093 46402.04898 42843.46882 24031.52729 19856.49487 55948.04833 77859.13601 97750.2221 40309.30942 92103.05029 140789.7739 156812.8349 38559.60916 111520.0273 164834.1871 151736.9701 42690.72108 54549.63302 69087.1624 106346.95 19924.04364 2-(4-sulfophenyl)butyrate 25914.92867 86001.73897 0 64378.81488 0 74827.48495 51996.20906 60597.31904 0 101117.7976 46977.90039 62158.49436 0 78202.68958 57361.59363 86974.72675 41097.95614 75682.96171 38434.13053 61693.40911 22556.2759 120428.3965 0 50269.91045 0 82760.63025 42585.61688 46512.77513 0 87848.25527 57563.48668 65850.00054 0 86047.85916 44383.29594 78214.41171 72592.36398 57866.38284 51509.47113 76472.02236 42779.75246 62557.82646 46774.54725 46920.25011 0 94281.26293 54909.60103 58588.478 0 67975.84262 45424.3912 55996.03137 0 56988.41803 53071.87612 61643.83101 50376.39138 87754.27176 29218.37006 73802.96719 27631.69853 63324.60259 44497.80549 39970.10571 0 116554.469 0 66432.96541 0 106677.9135 65871.91337 68995.90922 0 71170.75503 50504.2659 77555.93401 44675.89725 82581.18972 59713.83504 92811.87321 53356.39319 91553.36904 52713.20078 54138.95155 Tetradecanoylcarnitine 312468.7199 182747.3724 222544.7382 67554.56999 205950.7131 182383.1676 203394.6697 90533.27846 198119.0777 235793.078 305335.5787 66077.16539 190971.807 198507.9714 244316.3797 93602.34462 2133416.15 1284456.805 661728.6529 1094258.803 450951.1826 255492.7698 148964.3305 90514.10643 181919.2931 192117.191 158228.3247 90080.04339 187239.7271 359818.8699 261082.4697 102341.1357 160168.4333 212166.7137 208997.5123 78293.91826 697114.1662 174196.6802 186980.7435 72798.88258 1884787.685 1012774.582 649177.1676 852046.2779 575257.4492 181140.3085 177579.8068 75569.32587 499188.1538 199678.7741 251534.7745 77267.95921 268266.4742 278363.5282 213062.8183 80954.0414 300652.6528 213552.52 232493.8599 59906.20905 1029386.452 1100831.459 728920.45 754897.7693 169737.1957 179757.3808 425598.309 78058.39789 178114.2086 207777.1308 194144.2421 81694.36929 214094.5404 265029.74 245880.7366 69933.21892 433182.3372 219600.8506 285263.6312 31680.96366 2550038.382 1256424.112 767935.9921 1657516.9 Decitabine 17942.03438 66175.56513 37325.09859 36321.57719 62109.03492 76641.98786 59527.31278 37894.65359 64877.08461 59458.30525 52137.87024 51466.58051 68239.61659 72513.50012 85311.8495 58990.73193 0 13175.09914 13972.65186 0 34087.21055 43824.45847 61472.15658 41127.16631 44437.77723 49804.07352 75656.62249 48287.54212 61216.85376 58877.03454 79951.69015 54910.33166 68551.00108 71010.97917 72368.69353 45510.49192 29043.7367 56969.21195 77308.28207 56496.62484 0 13052.80766 16092.36092 19173.29434 41166.4547 59029.95535 61930.17794 42647.03863 29424.77825 54264.8639 71587.55011 47117.88145 70051.29387 88360.80411 83259.67304 56937.69912 41361.35891 65608.73804 81663.57449 44197.65972 0 10501.87701 17158.45144 0 47799.15461 58701.7972 0 42741.02824 66314.70452 47788.30937 73225.16462 54900.8168 68744.05758 67000.04375 88040.63524 39273.67482 38448.89579 71422.72106 87672.73621 61687.88701 8881.457235 12382.2137 16859.96949 0 SM(d41:1) 1855355.789 958087.8685 752149.1101 952261.0942 470392.2653 517322.9281 661700.6223 926847.8802 378161.0088 666219.724 887005.858 982342.065 356051.1047 333926.9804 715629.3964 955880.9016 640435.2353 216892.4824 549510.2124 591044.0184 1507251.217 1312064.175 589447.7809 793593.9007 389681.1662 823079.1469 525067.3942 995360.3503 338219.0304 503037.8477 329701.894 839607.8607 387665.8357 719278.3551 693790.0667 872841.6911 1583162.434 947125.197 339829.7265 855092.0533 1226549.254 581784.9953 572810.2729 800629.3845 1472679.04 1308001.873 976087.8579 804742.9308 1124666.601 484336.5011 392958.1984 846232.238 275526.8973 280205.8849 571552.8983 962848.9539 1077384.278 718200.5079 633473.4793 936150.2176 844108.6759 706833.1863 660001.4592 669502.3776 798989.0931 1173501.106 417920.6819 794302.8431 485673.47 808867.9302 272351.534 823411.5204 262571.715 107363.46 248816.4663 898827.5012 1140141.634 352096.4782 536200.3373 888102.6949 1516502.53 1047520.366 594415.9237 892589.4928 N6-(1,2-Dicarboxyethyl)-AMP 0 21785.45648 20505.20114 20774.13261 40142.96119 30652.99976 16975.63944 19676.22553 49410.59954 19874.83186 14481.66477 0 58865.48902 18405.49274 22324.88503 11693.21226 42560.41802 112559.2613 61181.04846 68862.75376 0 24105.24138 36646.17775 13472.6412 59335.27405 25423.15301 30922.11441 27928.90948 68010.52133 25469.07576 20587.22467 30637.40829 57862.32794 20816.47395 33542.21432 31143.58675 0 9116.615512 18239.33466 13756.14518 32762.07719 103979.2766 81369.33052 128394.6655 15511.36249 26770.58158 22733.11528 21753.08965 24088.1287 21632.58298 37896.06598 15046.95542 43335.13092 19000.99377 21737.06634 0 21399.74074 10150.85507 30124.50111 0 42658.33742 81491.9426 53238.20645 121522.771 25631.12845 24774.63193 29027.0644 19392.65382 60257.70516 22159.0094 25380.04382 13446.27298 66490.71859 13615.55582 22064.3661 0 19474.32997 11898.27379 23142.25471 18604.01191 26627.1319 73585.16401 52938.57431 52482.19671 PC(32:1) 3336812.069 3525314.878 4455148.492 1764843.611 2225588.186 3201040.282 3502077.36 1888169.746 1717259.813 4002937.673 4497262.502 1872143.983 1594959.272 3345609.968 1836675.514 2007474.421 2564027.664 4116394.4 2187256.974 2409392.714 3060408.253 4621632.86 2640545.575 1749509.072 2129893.611 3530991.426 2761356.193 1638770.568 1775898.712 3422342.929 2874058.818 1497223.941 1712317.438 4146183.179 2822207.102 2046880.753 3215712.579 4267352.09 1877898.95 1593675.57 2443492.448 4465179.335 1922971.395 1708930.339 3742759.215 3313129.355 3878750.983 1964906.835 3122342.324 3699702.016 1911106.513 1781313.256 1182026.786 2566566.051 2314590.053 1787260.862 2633174.095 4036554.536 2242660.013 1559386.769 2125035.338 4178025.126 1893234.788 1787629.767 2254799.519 3210905.474 1769319.091 1615776.635 2095663.321 4204605.935 2257629.476 1766096.145 1242938.062 2515389.349 2278178.704 1699726.199 3257655.152 2874930.277 2192065.075 1745547.392 2133626.297 4556417.483 2105066.609 1894326.773 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 403859.8617 386524.3109 334521.6836 356495.1948 124832.3092 409998.0044 273589.8164 473122.9393 105456.4477 390584.0417 283150.3832 351174.8336 63004.33338 430632.3142 142692.495 388262.0791 75977.51429 77145.743 51043.1794 97542.38313 408890.4241 452812.4423 129558.8745 357086.8574 99511.97315 400168.6565 186125.6897 456154.537 120491.7413 437153.5546 143650.3591 361599.5133 80966.32935 477685.9307 129351.7152 347347.1334 311925.8976 525308.1173 113375.7336 319530.402 129470.6141 150341.3581 25666.13548 82249.23063 431955.3221 324660.7388 357283.1973 299485.2684 302952.5363 490658.8982 124145.9946 361820.8238 55487.58931 208271.5627 119433.105 344958.1154 305258.5179 649799.7266 127938.0466 333929.1908 72697.08153 127051.6183 22513.37566 79297.66249 107675.1033 334717.2828 133504.645 309132.1488 218571.6336 499733.5745 178585.9395 361135.2306 44886.76623 202199.6196 146097.2584 349119.3393 270569.8943 408301.1801 97371.79795 392147.2221 158680.1236 111838.843 21231.82785 137458.7793 LysoPE(22:0) 138572.8692 207567.5991 183522.3262 131876.4385 153400.2117 182193.6017 154507.0277 133070.1701 134689.6906 172837.7309 189240.7865 128272.1817 131942.0356 163138.6944 263704.0527 129526.3143 555724.1531 359626.3987 228925.0381 183420.2399 316253.5108 188521.3434 221320.0803 129173.5639 158663.5532 165680.2413 286261.7874 167067.4703 117153.0348 226417.3604 236394.0771 126852.0499 122641.6525 230285.7981 258394.3662 110906.9003 458792.7862 228390.2071 262081.6603 116703.091 548042.3505 325660.2075 243928.1285 175118.9827 420900.1112 238699.2531 167441.1691 117743.074 283421.9848 161997.2792 185642.9633 122262.0289 156352.8081 229831.9649 277427.1053 182943.6062 233122.0215 143886.3952 226365.0216 132943.1284 274579.3981 273708.5149 278012.8066 162059.3215 142292.0463 160945.8347 610342.2206 149873.6698 143671.3542 305367.6209 252768.3222 107568.1349 163770.3631 221707.3832 303781.3089 149206.0069 302380.549 201810.1244 250413.1466 131663.5175 597689.9987 430176.2435 283598.8037 253159.257 LysoPE(20:0) 1903700.749 1688333.928 2069001.547 1417515.583 1524146.154 1992819.313 2103959.26 1821583.004 1359170.36 1890215 2253596.781 1697051.636 1307183.532 2005013.49 2334240.835 1260154.093 6554335.254 3531122.93 2314063.831 1922071.506 3123127.98 2169978.924 1457330.03 1264792.061 1257441.369 1730640.687 2124993.87 1871334.151 1425251.257 2229613.968 2773119.147 1647165.935 1351393.151 1685935.358 2114686.464 267915.5001 5090924.629 2252536.64 1876031.891 1326435.579 5548358.59 3229849.743 2617558.389 1501129.281 3333328.41 1592883.826 1921879.113 1686743.157 3053941.369 2151744.777 2126654.351 1557717.5 1642612.001 2861996.386 2255707.037 1598024.007 2079106.499 1642012.889 1927945.698 1266446.865 2298132.834 2945559.804 3092988.182 1618842.526 1120213.164 1453501.484 7102666.59 1382836.382 1279057.954 2179391.301 2124526.448 1277802.858 1504795.167 3105610.62 2362575.007 1235912.166 2678691.153 1577315.313 2230605.352 1229756.929 6872954.933 3459237.22 2412672.566 2954944.242 PS(36:5) 44803.33601 85136.44019 54515.51368 80936.12432 50303.89596 85292.4364 85078.48285 73721.8426 46194.89835 77723.02128 91474.67843 75460.57086 34908.17731 90399.60727 53482.24292 55794.15315 0 31718.64419 0 0 62197.3185 102316.3302 38768.39437 73522.59329 41291.47217 77674.01795 54198.69587 104405.0595 37275.21567 100592.1876 87852.42274 103935.6147 52830.71963 91510.05818 60164.60756 79065.44277 73667.45551 82082.61401 36636.01632 90596.78455 24357.22707 26503.18123 0 38369.88718 60067.92078 77181.81626 92686.01902 61497.63806 62121.42139 92514.61826 73699.18418 61383.64468 37731.03294 90729.87202 54905.27256 65577.859 63938.179 81549.60135 50298.67946 86270.7252 22682.03622 0 0 49501.20404 25127.95699 63469.63576 45527.34143 71130.29237 25577.69625 85236.42618 60544.87204 74413.85849 26394.82512 96062.24562 77981.43588 98253.50976 46579.61573 109083.857 62076.71995 56785.64148 21123.34732 0 0 72233.00089 6-diazo-5-oxonorleucine 112738.3664 51934.87653 62749.1199 126108.3848 62446.29101 100765.2993 91146.45636 107347.9844 78320.54288 52140.51749 38952.6804 124889.7821 83041.36856 51941.61738 85632.96867 80547.11919 32937.59394 38074.06842 125698.3126 55458.34067 50377.77818 45366.04721 67105.61715 121810.1715 64502.05373 66007.73248 44380.0202 144988.1134 73323.37822 39103.68345 114310.0767 60634.60622 66715.7456 40740.46973 66817.6326 123431.0029 44891.40134 41816.62164 85369.54121 64838.24834 37296.69449 37997.25146 101148.9516 59937.51847 88202.45927 58250.61162 58388.56005 110294.3716 45200.64945 42533.58894 98604.80239 78835.07441 74474.31344 45706.57242 60976.92376 80224.79746 59393.09988 32070.97351 92804.23823 136117.1919 36658.48338 81784.23905 126226.3663 104773.1357 168255.9419 76243.7589 90197.28155 142028.4767 111038.067 37110.65254 46239.35213 83764.31559 92773.71267 45832.32812 110892.7549 104919.8972 71058.17575 50543.81855 76706.00052 72808.98879 76149.63422 76150.43978 117451.4415 50149.53304 LysoPC(20:0) 288928.1161 242326.8105 381160.4194 257313.9269 279820.3429 389419.867 394921.8496 265422.4922 270939.0135 401747.1451 415414.0099 263519.2302 225700.5402 445884.8873 306699.4331 232773.5102 1037560.757 619953.0817 340838.4225 337817.6583 489975.3394 421288.5412 269207.1998 233135.2341 223126.5182 384259.2579 314490.7833 328434.7682 258341.8306 421702.805 566204.9103 334810.1246 257176.8512 430148.3765 360348.4812 252253.4112 781990.2894 433634.1336 300752.4697 348019.0887 904271.0894 747769.9466 392094.3586 382197.8492 591200.0562 370701.4804 327260.4976 213585.7613 392571.5124 495079.3802 323559.1442 293717.1078 286951.3286 484117.4487 299766.3777 268756.1879 406260.0949 384051.7832 339303.8452 240547.457 472026.7694 748766.0522 363832.2945 309277.3782 163193.9231 368303.1294 1108383.47 195088.8413 191937.1263 436990.6818 304398.2961 226667.0063 206699.2652 528519.7588 396239.9747 241441.5206 411829.8347 362777.552 365971.4635 233593.0569 1441514.25 751209.6539 437440.0827 426668.8545 MES 71200.89979 97552.42976 71121.66396 118080.7345 132600.1956 103234.4962 101880.8377 47797.54596 120312.624 102216.3511 62915.35862 38168.74355 148282.1984 83671.16491 88440.26432 50733.57877 76712.8959 106916.5649 81974.5152 61214.22913 67375.03082 77691.25269 81666.0322 110005.8803 133131.1646 88890.92047 86725.65285 46366.19564 156715.5537 91308.43463 108029.7654 48308.01547 128341.061 95239.34726 95209.52125 70004.69904 67405.8282 72820.71365 130088.8551 63104.91658 69000.84527 100549.4186 94082.62759 55887.84455 69656.86124 98541.5666 83978.22237 120011.1552 63200.85882 85396.66198 106574.4339 53186.34363 132132.3297 106882.8748 84327.98488 58703.03418 96240.24522 94100.36805 99001.44286 50107.28702 84232.48637 86954.82649 121807.9857 45504.21049 128935.0788 82228.40052 61407.2593 111992.4616 103530.4923 82616.57186 86630.8695 45237.50614 150274.4513 116058.91 99334.2032 48829.52861 64547.66966 97065.72327 95838.25304 56260.41743 63814.64339 80772.7258 116145.7308 45048.76803 Cohibin C 295724.3213 313581.3523 293123.5116 212658.1358 132485.4421 286407.447 293714.5585 267959.233 136267.1146 300128.9328 358983.7818 252458.5163 98133.38105 327054.0128 184472.6168 230856.3737 78717.82435 86144.65009 96890.05436 88754.06488 280694.4376 359107.7401 201804.5705 244266.8193 137165.6442 298134.9341 224320.1854 273681.0503 118147.9673 432001.867 168298.4675 232082.0133 129913.3879 462978.5984 187209.5932 248822.5563 322437.1521 596949.9489 194446.2173 241955.6324 114165.1782 164760.3862 94452.70214 91372.21167 337029.3639 301343.857 285540.0653 226938.0983 277562.1092 363458.1657 160864.4229 264624.8863 77010.52755 166706.1842 173731.694 238008.1154 246025.4063 370866.1089 213330.0521 217183.9318 100603.8033 127163.9335 83361.12185 70257.39293 159287.6197 293407.9601 218216.5757 214249.2316 97439.36234 415930.6123 175837.0128 227914.4972 70150.64802 194028.8692 146145.8453 210439.8666 235113.2037 360084.5966 147185.8657 252586.9148 112008.3947 129061.458 62802.09572 89878.19062 PE(O-38:5) 3559247.998 3277730.831 3418243.931 3259012.048 2340368.688 2119544.401 2622795.129 2803944.949 1015571.257 2984510.125 3576271.61 3337215.617 1801203.287 2296885.227 2732285.299 2987927.177 2560248.907 2160405.319 2770996.948 2472069.416 3933048.894 3377515.903 2429399.334 3607599.282 2252935.098 2973686.245 2247206.474 2940551.695 2150178.157 2257280.176 2079484.871 3224581.625 1679248.848 3144503.875 2908422.926 3408247.765 2200602.775 3676320.071 1914792.877 2709722.255 2122138.781 968723.8508 3365032.851 1248013.372 3195753.369 3785617.601 3803786.272 3530753.239 2858937.754 2192528.711 2081000.378 3058325.081 1354721.751 2337916.435 2360024.861 3111949.712 2445756.317 2819120.75 2546513.056 2761751.531 2045445.773 2596672.724 2276149.97 2575115.8 2539780.615 3983121.258 1721614.322 3379108.795 2021537.033 3521084.846 1945150.521 3013252.089 1504777.588 1668757.232 1787122.353 3558176.28 2148133.431 2448279.092 2378214.925 3051377.962 2431101.864 3309870.743 2760411.285 2618744.225 MOPS 117776.3398 120029.3503 92891.5505 110248.9489 136095.0296 131968.9343 102347.2307 68951.06677 145777.3596 110074.2632 102723.5835 79516.496 187101.3284 90657.46595 118294.8675 91969.34022 92013.09072 136336.6898 144517.4767 82117.66846 102069.8158 94378.17655 100264.5394 134155.1271 136541.4073 135313.1587 137607.6433 80250.185 179148.3491 106899.2712 121865.3822 64732.88059 118862.2222 121757.927 150243.5111 80696.413 115615.2199 92954.80398 128923.7722 71410.04297 121048.5024 120144.8445 165756.9453 87026.04318 107751.4541 98976.85608 114655.1702 144562.9077 102586.7222 102322.7703 155538.6631 81149.42656 157313.5732 108686.6678 118915.1095 64696.56554 102841.1693 89689.89742 159790.8385 68261.40043 141850.4034 94864.62894 136372.6159 79167.19096 138938.8278 95420.11621 105172.9597 119971.5312 170368.0323 77346.27405 130148.3795 69444.33958 140536.6133 121231.446 142505.378 69350.37602 100266.8315 101700.7973 133142.1872 70202.89776 138062.3284 109729.1544 164874.1179 63784.80967 Furfural 60716.82269 37947.92041 56491.95935 56978.9701 136429.8977 83651.15637 41953.73877 58703.58438 206347.3769 99752.40096 70138.87503 49336.54443 228592.797 91577.63782 140411.5583 51818.10663 344850.1826 415705.2177 303723.7178 330083.8025 42077.61802 34684.00835 85134.105 38653.882 159522.3086 65965.94148 88396.74909 54985.33297 196743.252 79838.73768 74472.07305 74864.83675 168846.6502 58072.97219 110156.0018 53485.08764 49516.46485 45674.18244 110333.798 46229.41178 324447.4952 413961.1923 282845.0351 428814.5218 82376.85344 35766.24037 50266.37299 53564.7066 101964.8605 66953.45506 82120.19122 54690.14631 222144.442 85383.14428 115220.0384 56682.70415 90194.06475 65671.36034 149909.3096 37251.29346 424686.491 365244.0582 248769.2387 382460.2834 87383.32693 31457.41073 82326.07355 45080.3656 219651.5897 81840.50837 100748.3569 60992.27622 252865.7556 116936.7369 115120.2405 38793.01583 79973.79987 71580.85136 152424.7627 47190.75182 261929.9083 298463.1173 266800.9407 287457.9337 7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha-D- ribofuranosyl 5-phosphate]-D-ribitol 80693.87988 85148.67722 104519.4682 53178.74836 30337.09432 81057.67767 84013.75835 63910.64857 21303.02676 83306.98096 108693.3 58656.79136 22560.44644 117673.3196 60988.02172 51823.77275 118917.7056 88523.00333 63829.49598 65520.40491 94214.72202 118219.0183 59412.68738 61141.33226 26012.66723 84102.54527 64441.91933 70864.71131 24133.44232 100954.1363 84041.90799 48394.9804 24578.82684 111029.9811 65029.5797 64203.60089 108109.7451 120586.0557 55760.97213 53565.87896 100087.6362 116447.5822 75588.68355 58829.01999 91044.82694 113958.8621 96241.99796 50020.18359 110174.548 91574.36597 68039.55744 54766.24803 23923.37077 107957.4993 55583.93273 59734.62358 68569.82717 107761.3987 74077.24272 63453.87512 49281.68812 100198.5851 55197.89888 65724.26123 22850.80147 93118.45459 123775.8047 56798.82796 26659.38353 116166.0497 77847.19543 70188.39352 20756.677 100937.5862 93634.51446 52324.6869 87464.72783 92298.64412 74988.9056 54937.539 112993.5017 122691.1411 72576.94894 89259.27977 Stearoylcarnitine 12631637.22 6950438.772 7545706.863 3942878.921 7577773.584 6223081.304 6709257.171 4240692.045 8171214.978 6961964.432 9175356.838 3465778.473 6432122.697 6455520.346 8072701.924 3576358.155 59253143.4 11346506.97 10842978.6 9156594.311 21503702.77 8232090.088 6172396.824 3649215.806 6566282.681 6893154.692 6987134.464 3572663.987 6920727.219 7089585.993 9207802.134 3740517.804 6763834.87 7119872.662 8403560.199 3653896.18 35466937.22 6986397.178 7003549.821 3605341.508 41514125.94 11513046.36 9031372.801 7043434.902 25342576.59 6167387.236 5639221.12 3639725.865 19991411.19 6921395.879 6559198.096 4120451.025 6945879.58 7259770.89 8173417.122 4260161.634 17232218.13 6150723.293 8047230.271 3617866.505 25718861.16 12575857.9 10676636.52 7355723.031 8714927.846 5779318.633 20975201.09 3726702.709 6172833.707 7385526.633 7240146.813 3667426.698 6568880.724 8476733.203 8230096.156 3511346.627 17326668.61 5443807.573 9687872.426 3686681.559 70469787.3 14462890.26 10367271.69 10262992.03 PE(P-38:6) 828783.3939 667151.6139 743188.1696 996194.1235 535037.7215 507804.8555 537607.7364 1091945.377 531173.837 660052.9384 835842.2259 1005871.806 421673.7037 583408.4272 301572.478 900162.7398 549172.8841 464259.2004 310043.419 935870.938 828138.9321 798871.5112 348779.2859 1168872.502 551078.7737 543429.028 298431.3907 957986.1243 463811.9942 462292.4555 486236.332 1032885.557 433867.5591 717810.5393 274362.9442 1229231.974 625723.4247 802232.7573 241193.5985 924238.2459 424980.6399 502897.3022 262973.846 721719.5602 734722.9544 782935.9848 740597.0585 1049830.649 648508.831 530260.5309 272705.5575 912860.6763 345872.3235 485636.2974 274805.3843 1032759.517 592952.1402 728511.7792 272998.6065 874836.5838 449649.6731 613748.0185 292922.8814 838922.3541 539714.1322 786678.9399 354616.31 1025450.055 427493.9008 751695.7865 339621.7348 1007903.303 360555.7862 470414.9814 426465.7136 1073955.953 594462.2484 412583.5191 232235.6486 969088.3796 515290.6997 593171.6487 372459.0341 822853.2421 LysoPE(18:1) 691400.4887 721101.478 856369.6356 644051.4683 666480.2211 730349.0848 894440.6391 807590.1903 633773.345 797602.8478 1149072.021 788743.3056 640785.8317 998226.0597 791463.1054 587488.3111 1965580.252 1461349.659 937652.5733 941985.9425 1015818.74 981041.6053 663646.5405 603718.9011 564803.8348 694336.1291 936020.7496 705597.0957 665669.3761 981773.3408 1207564.741 745126.4419 640620.2088 1042485.449 899663.2381 768834.0565 1533223.375 892045.4015 926387.2964 751359.3017 1566745.974 1057916.155 1313550.456 682885.7911 1192359.224 571680.2287 802221.4055 819631.1746 1125172.367 800527.1197 999613.798 715983.5195 762249.0969 1159338.843 826329.6443 790519.0064 796425.2546 1117676.499 827182.4735 620002.4831 932677.1605 1356769.53 941739.6687 665496.1866 569309.9463 796596.429 2339116.824 699622.6275 677099.8987 771316.4849 898041.6874 661831.3393 706096.5277 1063008.188 1156555.841 665283.2321 1369381.75 801201.6469 859176.3302 646795.9304 2417882.992 1526088.121 1155449.233 1163171.804 Arsenobetaine 19394.45841 43994.1033 0 205340.0451 48949.81621 47711.58168 44544.63174 207987.3235 26054.92935 34007.5865 47776.10451 191921.0673 49702.91932 46566.468 53518.27252 207990.0714 39566.89336 64682.89677 77384.07327 335430.1043 26710.82265 38842.74736 14734.15018 190967.236 34409.7242 51649.88955 42331.84694 175437.1062 47327.20621 33757.4227 67175.71679 202152.6792 34657.62158 39919.63622 65233.76639 201490.3924 30581.68689 30977.49551 47047.18077 156817.236 46681.46864 66571.23868 68587.45542 347479.8737 19005.72214 33524.7978 49560.00024 185718.5855 27840.47126 41559.43128 53237.90169 212451.3216 59542.91164 47007.61279 49417.97771 217928.2316 32218.48207 32974.32632 50917.77341 211867.6335 44285.61306 60974.73477 79026.86449 350616.0283 42456.1536 37605.94245 0 222359.9279 31420.88567 39233.30286 48155.0899 184496.752 36494.59452 42878.07606 67452.31302 202350.1679 28629.04586 47564.46674 53246.29037 189572.6822 50450.25238 60282.96345 78599.38382 244410.8581 PE(36:4) 2697928.235 2287882.743 2338460.228 2429502.558 1719666.048 1800461.939 1890879.859 2502381.226 1706147.886 2325321.455 2566251.58 2939867.448 1481618.033 2087702.77 1445138.956 2481333.483 1839564.625 1809520.062 1314201.668 2415030.905 2202829.885 2497857.834 1566828.487 2673190.058 1541082.467 2291378.926 1305949.026 2300851.949 1620157.583 1929958.859 1768036.88 2239922.021 1437139.539 2298198.887 1579034.024 2576518.08 1759103.546 2554684.944 1178715.798 2320873.739 1477421.544 2077574.998 1395797.935 1755435.891 1717971.748 2665289.334 2689784.46 2383121.04 2281870.079 1933963.051 1350466.228 2343611.45 1185217.067 1821234.904 1487326.193 2360094.013 1971451.48 2024320.855 1206424.641 2163137.631 1331923.021 2130729.329 1205589.195 1919346.843 1824852.437 2787742.03 1301034.681 2490517.354 1516525.656 2725441.091 1362691.923 2452694.97 1205069.137 1731789.68 1525608.28 2494005.104 1868307.733 2004980.413 1281166.47 2573334.197 1820637.307 1875983.646 1477455.154 2092222.396 LysoPC(16:0) 10226074.88 10167704.58 12443797.28 9086052.014 8529290.502 12678196.09 13569117.03 11503452.13 8412495.117 10150897.48 15677578.22 9756512.904 8073437.099 13034401.24 12327453.99 7843094.245 31568481.44 20585805.5 15997837.27 13846557.25 15898472.19 13899465.91 9647394.186 8283337.826 9171485.406 10626387.86 14037788.33 11301399.62 8658330.434 13802132.64 17124790.89 11415030.52 9025283.969 12684566.71 13070562.12 8942649.524 24688673.18 12217767.71 12784664.86 9718935.018 32201071.07 22485211.35 20069717.34 11010061.73 18312615.28 8712037.777 11400340.98 11060229.78 17001242.85 13005636.77 13853069.16 9852625.999 9951683.746 16504375.86 13084973.07 9559488.471 11836271.04 13502374.99 11989886.31 7907651.235 15671259.43 19553925.39 15537544.21 10283729.29 6972942.409 9415935.505 36936817.53 10518017.08 10492662.33 12545026.26 13784406.07 8710274.388 10403668.68 15847422.56 17661001.59 8744940.102 17575376.77 11024236.81 12044381.93 8542870.539 38800053.72 23844224.48 16868781.05 20179261.35 Hexadecasphinganine 336041.3009 113141.8191 85213.07501 114824.306 72006.74084 57720.07175 73203.9635 77480.26632 70120.96379 66091.52023 144679.3814 64980.20174 52120.44545 59261.24832 36833.63453 37126.86092 375990.168 44307.82162 37114.43047 50557.71325 566775.6928 302324.1878 42581.21277 170724.4076 57145.83235 72915.48499 34863.54306 51923.59883 55135.6658 53679.15905 61586.39399 58985.73827 59526.60683 74347.94513 49422.47417 50631.94878 733816.4007 96095.50916 35836.6829 71662.87253 317227.4606 53826.76963 35092.50508 34821.55369 728247.0908 145945.2014 84404.90599 120917.5526 421719.7535 59041.2876 52368.36885 56648.11391 47823.22666 50076.19654 51237.24169 63752.29264 253193.9383 67064.07141 51234.9617 99695.22251 204705.5451 65666.37686 38478.143 43994.66649 72981.10793 134422.1615 522680.9401 93468.8486 62612.0574 100146.4726 46108.17102 63152.55376 49590.08991 46823.90349 54798.53624 72981.27727 357500.4954 51453.20256 41223.11429 70742.72795 474594.0213 135120.8226 35610.89529 68341.74283 SM(d38:1) 1018437.87 766568.565 696500.0185 671653.7479 344618.9198 611140.8124 647641.5749 786934.2436 366394.2649 824954.7294 947992.2694 679385.9366 317657.0629 397505.1155 721242.8456 770451.4249 802703.454 351940.6092 748495.2008 687902.8732 801077.7706 908209.791 783664.7131 682641.046 339122.3234 811538.3086 536853.8564 757835.2101 286570.5539 442607.8393 228745.5506 738063.4497 308052.719 723902.7782 547040.2215 692467.766 916726.996 699063.7865 404181.472 650146.8147 764507.7862 700195.8562 439555.7644 431102.5265 1001444.352 889747.4928 796053.3296 687581.2071 912437.8016 511757.4625 437182.3408 689177.8374 201510.2178 278026.4152 578807.1989 717216.4964 841364.3556 599916.6246 646989.3068 694429.504 726041.8573 725940.5825 625315.3566 545140.3109 513985.2014 791108.2451 837973.9917 729308.1351 408123.29 716016.3344 291697.4564 673464.3004 250832.1389 229092.3046 249825.7684 730871.0103 841296.0319 365947.9164 636171.3257 674947.6168 885012.4412 797025.6964 576436.1204 752828.258 gamma-thiomethyl glutamate 234602.6405 262251.4605 157909.8432 387350.9269 290733.4317 334382.5334 178384.4106 383676.0769 290032.055 266903.7765 138892.156 351539.3556 301447.2973 237565.4946 258347.8566 405702.6969 138876.671 0 0 0 221868.6095 222689.3185 225999.7335 396044.2727 315885.2131 334811.0046 229028.0848 382548.7587 315073.5502 236226.904 251415.9716 373612.1509 308881.095 231040.5034 240415.2905 399356.6663 159837.1936 226554.6588 243784.1535 324861.0393 59917.67561 0 0 0 218288.6388 291993.2457 187435.0821 467246.1975 193479.323 300983.5334 216075.5615 367301.2107 382023.4295 340078.129 281361.4125 381166.2559 213180.9916 251061.6427 253136.5018 301491.6579 76291.79968 0 0 0 314186.2505 303728.8669 167725.9093 488378.4023 263976.5733 262424.8013 277234.9823 348428.8439 407333.7735 283789.6329 206254.4684 373313.6985 212288.8023 249349.4708 238146.7236 404157.7158 94868.82984 0 0 0 Cys-Gly-Pro 178033.8892 80499.97013 0 375690.4423 80673.15899 0 77908.37565 152163.7105 107511.1917 64769.17119 45868.3488 172498.6934 0 54016.20034 69279.47278 171993.4657 86953.05433 28649.42039 74098.15637 67474.21881 161588.6063 69973.18003 0 269399.7801 122816.0261 43150.44704 48193.10988 288395.1889 124892.446 42176.6749 51723.8066 151725.5783 98842.90095 81374.3891 34443.05175 125261.4215 0 72530.42478 70737.7543 136260.1844 94057.2667 81400.0448 47997.26799 115350.8982 75446.35441 68120.45956 144369.7781 218336.4603 130397.5837 55356.21772 132750.241 124285.9589 104335.6368 0 60358.93227 177285.6262 135940.4704 53799.93849 0 118488.7303 60878.0159 29531.25292 47456.21847 84929.62224 386460.5042 47614.47643 0 323371.425 192503.5661 0 0 161817.7901 92088.68528 190900.2976 57212.54283 0 84246.08798 64502.63873 0 150149.2617 80530.90341 40537.78653 0 52491.87785 Ala-Asp-Asp 47649.38879 39598.57049 24494.69501 121526.4062 88600.16866 45713.71541 35088.39254 124305.8642 102319.8482 36839.57154 23730.91523 107143.2216 106691.1339 40878.3857 41870.87506 119247.8302 46071.36127 44225.8602 49643.56305 98145.08178 36355.3265 20562.04331 42292.44793 100814.5356 83970.39586 37731.71194 47299.32736 100712.181 104383.9306 41271.11781 42869.51253 112207.5604 91707.71149 34701.04361 51328.87693 122248.3567 28216.71761 24906.31654 50902.45573 132965.7634 40674.57907 26187.44474 62334.76504 130913.2882 48910.25068 30075.59789 24611.90498 114794.992 51857.2147 31297.25402 57848.4208 118541.7362 98856.19283 42259.25228 50665.75986 121872.3893 58568.19174 29874.0478 50153.00411 109656.3174 65626.50944 37172.98567 53657.35124 116071.2786 80566.47746 25013.30849 30108.93194 109662.3108 101129.2316 23655.29514 47260.12096 109335.6355 104289.6307 35557.04236 59995.21457 122022.5852 53360.75711 42099.89666 51323.66908 119053.3319 37739.03517 22840.97141 43387.29285 77911.51702 SM(d41:2) 802758.1354 589540.2684 550468.3755 652203.8103 408161.5816 482130.6777 485495.4336 574037.3054 412216.9401 523428.8947 668067.0783 500819.7227 390856.8411 416854.121 556669.739 616941.4206 831646.4983 400393.917 684642.0552 580429.9995 724584.208 773171.8075 533025.1987 482751.629 431554.451 661218.7423 355703.6615 467354.0099 352966.6828 313729.3086 177338.6925 565440.5787 364495.6876 531507.2871 556537.2375 671140.816 991985.4762 644711.8625 367885.4505 551257.527 641989.5673 465633.9079 578667.5467 505281.4412 921115.2186 614142.9465 510145.0624 587684.2696 762206.5648 418059.0217 368574.7418 497814.9365 336590.1058 348413.8424 488642.9722 539997.6336 798290.12 473814.5796 686131.9957 523124.8964 607913.4596 577674.1414 459438.8348 566776.2686 546821.5094 627164.4332 480386.909 566875.9977 474455.9568 686882.5911 287975.1646 630605.0496 347400.9122 284884.7146 297648.0648 607064.8972 570906.0621 417392.9544 662788.1006 546908.2701 891276.7053 668835.9203 539748.2788 732711.4934 Glu-Pro 124998.274 44276.92254 100140.4865 173438.3253 173817.7891 55168.57281 54812.62285 103621.3931 143385.1253 42094.81301 48386.73195 154998.2557 175617.2704 92979.62186 138092.2496 189980.9555 93229.55402 41692.39161 52770.14732 120642.7246 98289.19119 44958.14735 130854.9763 152878.0976 236138.5075 114148.783 112252.5134 161545.9087 260054.1096 110911.0747 137575.3072 200269.9821 280999.0125 132329.6413 177045.8016 233624.5454 149357.2605 142004.3688 183154.5408 304928.8411 31872.08666 31805.55119 42050.484 59464.02056 136201.4594 64611.04127 106515.4251 150889.7048 114897.8192 95474.95467 72944.64949 121339.2853 160289.3002 101106.1062 137778.3541 180150.6301 109658.2236 42224.09672 129717.0215 129976.8951 80670.05151 38415.51063 96774.4399 94051.38832 285628.648 44216.77428 52155.12128 217361.6679 151779.3807 90286.54596 95606.88048 203173.85 174090.3612 134490.2968 153915.8897 162091.0118 119719.4821 52741.20509 138192.3589 119695.6606 71384.94392 39660.28975 89578.15571 97890.5243 D-O-Phosphoserine 46909.00276 59206.7537 37337.1861 44387.67696 176067.6969 120963.7936 55523.14775 83177.36759 180234.3556 123838.4692 57131.977 64179.25419 266715.3322 101337.877 100946.2943 54020.41699 138842.7654 58907.88564 82301.75568 83783.89065 47191.61463 53061.04687 48770.68914 43920.58452 210528.8736 102879.7789 64934.02601 74274.16467 226793.6116 109741.6219 89339.7221 82755.99137 238931.1746 89688.09193 113493.7264 75238.05827 90793.25774 90223.64327 106235.4412 76291.33281 115112.2808 66722.77602 65830.96599 124146.3003 72153.9214 55685.26941 39027.79892 38446.30387 129369.3529 105933.3288 89655.48272 61459.76002 249393.396 108701.5344 99003.32121 70141.74499 167563.5896 92689.75735 143364.5177 71898.57239 181877.2323 73332.06677 67923.73214 106482.7723 77190.98733 49144.54614 65847.25534 41089.41474 182841.7455 90304.92749 79119.35261 69409.38553 267717.7179 106517.0073 92797.39485 83246.50623 132351.6416 114217.6124 124016.345 89555.34108 119659.6999 64801.54782 74322.64402 91061.93986 SM(d44:1) 682523.2317 439051.2169 427852.4178 578697.8871 203142.0191 171079.7474 295111.6968 501729.7107 191884.5255 323951.705 574584.9125 548808.1052 138058.7023 110427.6291 237972.2261 582342.9204 396195.9566 113002.8008 240860.3551 422152.0787 623552.6657 504076.359 234375.758 600242.0276 200865.993 373122.7501 231604.3921 564582.6082 130551.7944 132357.2425 97705.7122 489243.6839 172072.9225 299512.4023 268734.3245 519250.2235 560402.884 541761.7934 169948.1091 522826.7801 482088.9534 253862.9379 192146.2064 447566.3179 512966.3506 616603.2477 474537.3258 445231.9664 390696.49 188796.3687 184450.876 402571.6773 68899.47917 59378.48584 276848.4244 523995.2611 378203.4275 271019.4161 217814.5845 602235.1792 296864.8523 280843.3493 235244.1971 399927.1797 337729.317 598023.7823 243371.901 464442.3824 183288.115 414466.9725 95918.59538 514102.2879 75085.21805 22468.46804 96816.89954 516090.2564 332393.0437 129404.3039 169151.6027 591157.9124 484732.9083 476940.9243 193503.3003 440472.7954 Proclavaminic acid 84427.02555 0 0 0 117113.7647 0 50851.22411 0 108407.1105 0 48065.54931 0 56360.4144 30370.88616 39784.21614 0 127886.8234 151247.4309 84608.67297 21098.08094 83865.74658 0 0 0 98468.32017 0 33294.96115 0 160304.4703 0 34939.31647 0 45571.79471 28274.98927 0 0 26423.82903 17776.19457 60801.91904 0 108953.5917 142749.0135 69575.26836 19445.25354 82215.9807 0 0 0 70803.28173 28852.38491 33218.19605 0 57375.3367 0 51584.89094 0 45825.43763 28678.36247 54280.33105 0 155093.1097 134088.8028 98298.66135 20171.97548 90984.73911 0 0 0 109577.2916 12895.60494 39767.44002 0 0 0 37805.87327 0 52828.41801 0 58773.8564 0 145797.7853 128787.2616 80172.0325 17751.44397 Asn-Asn-Gly-His 126392.1949 114051.7996 109648.315 300106.9316 146111.5173 108892.7004 107724.8097 282507.6259 191966.768 125024.9563 74622.67028 312956.5068 241663.1672 94164.32262 134409.0238 330340.1414 148491.9873 92694.47189 68335.76872 262625.1064 132025.0756 90514.00274 134689.2685 321000.109 142776.8069 102895.1373 146215.3563 280673.386 210635.3953 107449.2908 114033.7755 284531.9904 167891.0694 96413.62103 90345.33203 291233.9168 141418.1507 91059.64743 107268.6434 220622.2342 122784.588 153004.245 63531.99032 225310.639 127591.0314 114579.9913 87088.28578 407746.1987 124227.6918 93502.13422 127369.0799 272282.6055 141568.966 120431.3434 109047.4984 306023.9565 133788.0886 120397.2784 119948.5902 301421.3558 203501.1685 80358.13247 83771.38301 259089.4317 131283.0161 92423.5745 110942.5867 327827.1901 197177.3166 98576.79752 114647.9656 270569.8943 238319.5416 108060.3372 140149.8913 327341.3507 124980.7607 112030.1585 140929.2375 297080.2123 169812.6976 92569.8513 131058.513 196515.6457 SM(d32:2) 128451.1207 135811.2696 161566.9461 121860.5197 134897.1807 125668.2894 124476.7735 131600.3232 142206.336 165657.4273 227858.7663 119852.4623 140592.693 151232.7749 176130.2049 132768.7667 625800.767 323707.9165 272108.7695 241288.7294 196296.2578 185634.3754 154330.9202 74676.32193 101399.7103 159785.0569 111907.0373 141584.1748 132541.9379 229820.7605 213555.0974 118953.8261 128262.0931 158175.1859 154185.8513 149140.5481 414101.077 160772.4209 147815.4494 144720.4473 445438.3336 308264.6415 315410.3989 182423.2926 202186.6236 96432.21577 179503.3809 145138.6606 224822.5079 188786.7261 148263.144 166207.5337 147606.4055 175792.5401 140672.4485 135562.634 199890.6298 145946.3035 105500.9468 167770.7875 193033.4444 315308.317 240024.4061 208650.2391 58348.94839 200570.4857 334662.371 133022.7836 129373.2753 175346.9311 167886.7192 160283.5031 139612.1691 271033.5552 219071.641 133376.0976 215615.3 143091.3308 154437.4237 179640.4589 600234.2844 434882.986 304793.5321 300931.8813 deacetylcolchicine 196657.5554 177384.763 179565.1325 221112.3154 233463.1452 176167.1771 162104.4747 189387.1959 229983.8593 196699.9965 119106.5285 229356.5686 235058.5653 166603.732 178919.8004 231102.1151 116417.0611 136729.1827 129623.1848 174119.934 169358.2202 163912.755 173827.7276 208090.1658 238762.0364 140147.5574 154297.3668 197922.2164 171983.7972 165923.1612 177124.1754 298175.04 199345.8568 148837.746 196032.032 187610.3989 199499.1756 145725.6192 191212.317 177262.9344 115101.3301 111121.3253 128955.447 174262.8199 156659.5011 190237.1818 213797.3019 192824.8291 192239.7247 208355.2685 240090.2378 228118.768 225428.064 203034.5597 156937.0329 211105.3338 188815.5844 152285.5067 178155.2526 273193.6866 102538.8804 91757.19028 181136.7202 129387.5363 224698.9423 152611.7699 0 240178.3137 241097.1333 127326.2961 175222.9513 263175.8827 218083.7171 208319.4626 214358.0042 206214.5573 123091.4336 167452.0233 180112.0584 242779.7196 93677.8508 115690.5648 151459.5658 138707.1002 Methocarbamol 160796.9676 153345.5604 186535.9756 232439.6059 228237.8787 246221.1918 246126.2773 208718.5993 340667.86 210904.8222 184264.702 218245.6305 367121.7881 249365.5369 335136.2278 348318.4191 174067.3743 288454.3446 294114.378 240236.2794 148159.3019 129040.8 223209.6196 176345.2081 401056.4794 111170.1181 187793.9872 194736.0554 364337.3903 370830.5657 313497.2648 211408.2358 240171.8959 296083.2882 475048.8179 218827.5962 173951.5088 191896.7296 282367.1202 169199.7228 197943.9375 269142.6918 331425.0926 230411.667 110592.3843 129647.7687 265841.1361 201516.6373 178117.9339 222320.9211 423108.4336 230299.983 363080.8421 269033.9558 291446.7458 173897.1645 184597.7706 333968.5604 402655.6785 196399.1409 187859.4098 237738.2065 274759.3348 208222.0851 177660.55 138420.4395 236569.5729 175307.5817 286026.1783 199647.2657 332254.5829 234300.3415 310177.3302 282094.3639 364266.5875 146843.8194 159884.4642 224221.8013 304792.74 218300.9678 159016.9908 191983.0194 291078.2576 158505.27 Benzene-1,2,4-triol 1003927 771706.5978 401528.119 997222.2393 917851.7844 420815.2406 395336.0432 646552.6147 717390.4499 333175.9006 287834.9176 677786.7477 775163.4758 439629.9056 433105.3114 817409.5779 163293.3074 118015.5382 190419.8129 194425.3565 805681.7032 610172.8658 613698.7046 982152.6071 707680.2731 355708.9349 521009.735 642078.8876 672540.1875 273975.7627 509132.4033 668396.6136 829289.6252 422131.3339 510077.053 831661.5021 593787.3477 448551.0306 470070.5941 1089160.63 129570.8848 94600.04345 140502.1721 167189.4484 1132445.62 712294.2489 403494.504 940114.6989 515783.6949 292700.8341 559097.487 723011.9077 879117.5682 466944.3668 442965.7687 905320.6482 758191.053 431947.9024 414887.0188 1026016.428 192621.8395 542286.8562 195894.1186 190843.877 1416421.407 687943.3453 409128.8752 960326.8706 686352.9427 253149.0025 539547.3936 733716.0901 809255.086 467092.594 447996.6492 872176.8485 589138.702 463957.723 425085.1591 998802.2799 124751.1725 90694.26852 198783.8135 121519.0373 LysoPE(P-20:0) 230881.1205 249968.1224 256569.3813 158569.9389 228034.2693 279247.1737 222200.4818 248701.8106 201426.9077 310131.2004 313199.6994 242549.2743 174452.6476 274252.386 240000.2849 231437.0375 656215.3681 399081.3186 237388.8244 251755.4426 467929.7445 290790.3869 197520.6979 165802.6567 196609.461 206868.6869 241707.1931 191399.0884 188530.7308 294742.6979 308794.8316 193836.6438 163096.8218 316299.845 281175.9474 214773.0873 716771.3131 285845.844 264582.6085 211575.3455 526326.9012 386268.9353 272340.4981 214526.4259 452118.6995 272682.0107 210793.5331 223273.2196 382303.7015 295576.9765 248145.9784 171543.9051 230695.803 352869.7731 226627.087 195941.8546 277363.2665 356112.8535 249135.6375 212012.1224 283303.5424 341714.5034 286605.9257 240591.6406 163117.8679 209484.6224 962066.6067 185737.1243 167643.6361 296857.7514 252765.1774 191831.2885 203671.6094 423368.7617 328343.5556 171848.1126 319181.8216 267987.5173 255110.1828 239088.2488 850094.9394 393866.5712 316677.7311 356591.9054 Procollagen 5-(D-galactosyloxy)-L-lysine 45807.61264 45487.38109 38396.70842 85394.07241 112044.8997 56082.35028 43585.81115 97783.36093 112372.4239 46647.59146 34805.77019 127462.6251 130862.0632 65313.3808 59104.157 107546.7558 53253.49033 53017.18699 56974.36021 99415.05905 48622.97078 36136.81142 61949.41712 96914.50412 102497.5894 43357.20426 53356.6221 92028.34794 93073.75813 39882.7459 63886.21334 109635.0821 104818.364 43620.41141 63214.16712 122704.453 43777.20477 40862.46242 78600.95231 101457.0958 45660.63043 46873.5283 50012.39305 96402.90227 49123.43453 40903.80516 50512.83473 119566.7426 52984.07766 43991.73904 66008.31966 102368.2665 107999.6162 60888.07865 60381.90665 116568.9249 61890.18046 54087.07626 63340.28732 126538.6499 68498.12479 44047.78699 58176.05929 105255.286 86627.13317 37878.74274 37613.87528 98468.68821 113540.1413 40857.17902 66728.37134 119511.2215 132177.6525 62757.24246 63451.57582 121444.7179 54216.33262 64424.17926 73335.27824 109822.9731 37955.69749 40525.86747 53035.86015 60936.92148 Phosphocreatine 270569.8943 134174.5701 99889.57308 273130.2639 409144.0047 159685.8897 110117.5003 340715.1844 495523.4854 139105.5344 96747.18409 187296.9812 410799.572 141337.4419 142672.3528 235840.7882 392074.3154 240970.6313 242776.9293 716072.1957 234851.6452 139366.3365 141038.7667 271430.51 395974.5415 148781.2751 138119.1829 229101.7907 460971.0178 129198.9783 129669.4652 252360.0204 408409.341 133652.6549 162664.3166 270569.8943 201714.2902 108386.8913 177326.3109 267126.3016 340262.2018 222279.8604 228400.4652 841797.8087 325552.7893 140422.9105 136567.7681 208941.1683 291401.4626 148948.8083 171423.1139 242414.5714 429552.1687 170227.2758 163602.3237 262198.9075 253971.6183 126098.9932 163152.2965 202432.9161 487361.4061 253039.9439 285815.2415 820039.3918 387071.9026 137320.9321 0 292066.4108 449385.9722 133840.4023 170719.0103 249250.6165 431019.3816 142252.4105 145009.7696 259011.6291 229195.8148 205350.9183 150976.4094 213905.2469 354084.8685 238480.7963 279311.4591 512924.0149 SM(d42:3) 2382687.723 2288902.969 2314354.343 2207950.35 1715681.541 2081355.297 1850808.152 2127515.622 2010157.954 2108143.234 2828221.745 2414545.595 1660703.863 2031439.645 2046278.994 2450595.43 3378640.129 2087981.173 2186284.883 2147976.04 2429436.618 3010844.78 1709678.115 1957253.43 1890516.951 2120554.997 1604523.018 2148835.387 1697602.563 1843112.473 910873.9737 1941529.062 1605502.403 2536352.895 1884515.39 2299986.054 3345203.288 2255830.242 1407928.651 2111390.505 2480705.205 2182771.209 2102518.222 1861067.941 2711303.329 2504622.972 1810387.316 2414398.733 2430692.039 2062402.427 1273688.99 2197209.928 1372549.499 1668409.625 1539964.958 2171239.073 2157475.015 2616760.486 1736853.736 2168592.887 1934067.545 2561922.907 1641885.932 1688915.25 1733265.222 2591726.402 1845543.867 2229410.643 1696467.336 2679670.306 1313989.312 2177277.282 1406226.131 1237905.093 1067529.895 2178142.173 2316336.004 2504291.85 1838272.484 2367328.393 3445541.076 2778928.856 1865993.37 2620484.6 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 541737.5407 544412.9799 656999.6082 512076.6943 492009.927 565775.939 681887.3143 599827.0905 424809.8499 560084.4776 807234.0774 593931.1737 465543.8516 628511.9935 658250.2712 449269.8649 1368702.924 1119489.13 936318.7536 714583.6443 836715.8903 731200.6036 539738.4084 392686.2448 466829.4976 576978.7641 723055.9877 558990.905 506198.5435 695974.2535 852507.1574 564222.3954 387985.3076 606019.7617 736408.3772 496811.149 1243884.561 672110.4144 706525.098 551795.1056 1759677.053 995949.7908 836814.6522 559216.6015 928527.3798 433849.6683 569379.5142 606987.4904 772416.548 451966.6507 697445.1516 542614.5218 565069.1623 869845.7892 895536.0881 596634.6847 618176.9418 638773.3709 805057.9294 401328.6615 896422.1892 1012243.071 831401.4585 548035.8681 379107.4949 447439.1402 1971986.344 437687.1446 457056.4017 603333.943 606385.3782 480473.2585 469999.8241 844117.7462 917750.5983 440041.6776 852539.9207 594981.9819 679856.0481 505374.8704 2164976.324 1288273.35 866767.3358 1087215.175 Bisacurone epoxide 510783.866 352173.1278 389411.8815 306204.397 72378.44474 196520.4904 145633.247 269232.5575 169746.9065 179094.8076 496803.9857 230586.4376 50021.1627 365838.9836 109613.7741 333347.0881 564821.8758 202943.0664 101157.8732 187928.3272 351351.3309 452779.2997 253835.2671 343566.7721 163986.2008 391511.9159 151663.7431 241412.9925 67078.81382 328257.872 262365.834 220220.0391 122475.4386 247037.9883 190521.3333 220998.7592 472895.0392 337660.5554 135763.6976 219793.2482 444629.9525 363921.0691 174081.6707 209258.4198 464938.3709 373183.0421 297363.2508 295174.2257 1049863.162 105128.4323 240265.4287 229251.1797 122243.3075 286864.5084 177766.2363 232191.9316 482388.6948 278150.8622 230937.8355 281679.8749 539235.8054 114356.8792 103709.3846 184457.6432 195284.1202 523235.819 0 331667.0961 63538.71508 289141.2802 199031.377 220863.7488 57232.96475 359863.7893 259876.0645 207994.5756 414739.8757 125801.4847 184515.4856 275746.4852 542960.3352 372127.3569 69761.18175 136210.5342 N2-Acetyl-L-aminoadipyl-delta-phosphate 101849.0675 86918.56486 92381.60514 262190.3636 257878.294 149945.8846 80898.28095 348983.5322 330478.5105 121439.9304 78614.54885 272462.8658 351828.6265 122299.1789 133554.3019 292606.3991 196418.4598 151236.8949 191297.8748 524023.0522 86856.9094 84332.86499 114800.7359 231981.6435 304867.4653 118989.3265 112404.8806 301416.9256 281124.2032 107591.9501 128009.7884 327256.4254 340717.8651 104145.4788 144088.4881 287939.8908 127752.2246 85606.11799 145074.0623 311973.638 207789.4224 137323.1523 192679.8832 614533.2872 133898.6046 85414.98428 78813.67756 248469.6221 193987.972 126552.1243 135915.2125 294774.712 321309.2177 132379.1315 123880.1372 310139.8599 208451.3651 98362.59253 131367.7622 226901.5761 289946.7223 136763.581 171056.4943 554617.6334 156445.9514 81535.66926 110604.9931 245722.499 313842.0019 86645.9615 133709.0825 292796.5677 349465.407 133998.9197 133391.5104 313238.2983 157204.5172 111088.2038 160655.4449 297024.4994 169360.4403 135092.1778 221975.2301 408245.6136 Ne,Ne dimethyllysine 68847.10171 52037.23408 43236.90033 108927.77 118221.9448 57666.48975 51638.95966 91513.86619 122557.134 58876.38775 41795.47755 76524.26236 130737.629 54661.52007 58848.45175 100103.5606 73535.18156 74094.45074 78236.24279 234495.8206 62470.048 37790.89075 66146.64722 94598.8825 113450.1614 49990.76914 58773.05073 102175.2476 138755.3003 50331.5865 61612.7481 83082.18689 129083.3959 53581.28784 72490.46079 84348.35917 53724.20888 49377.89457 70366.55021 83715.84864 72573.18858 70402.76747 76673.66344 283201.1401 71118.87351 50782.50862 52449.83005 101327.893 71597.87224 53404.79112 72979.58355 82307.41665 131676.9983 65994.5451 58834.15985 106635.686 73094.43352 45625.97937 65226.10828 92949.79052 102415.6286 63953.20978 97560.98736 232742.0396 117977.0387 41915.11267 34062.5675 103037.2924 107037.8545 48174.5843 64756.54192 99234.63638 135474.3571 54283.82723 66671.04297 101431.7246 49775.36341 54348.03452 65540.16843 82428.43438 72188.81228 58692.03331 81119.95421 174236.6641 PE(P-40:5) 1507240.61 1403549.009 1180675.098 1624044.461 874993.6014 708520.0939 1066159.448 1573104.088 682007.7989 1111331.099 1354190.916 1874373.611 644633.232 750258.8779 994495.0068 1644098.195 876437.7669 763299.0762 1075575.372 1229937.384 1083864.583 1488117.117 855531.3971 1983857.044 796372.5439 1292232.807 793188.4765 1572087.331 662903.8358 690312.6768 656693.2412 1507325.083 623900.0538 1317632.199 1234805.848 1883381.642 893929.8161 1496633.221 688682.7595 1372263.628 820024.9386 1002864.573 1212844.273 1219429.164 1224132.371 1494112.872 1209024.146 1643556.019 1009057.082 840398.6937 787536.7347 1399915.161 460022.2927 877563.2019 926123.2748 1495808.204 1054789.076 1139492.813 1145892.006 1588276.82 717536.2625 999562.6384 865098.0193 1353725.753 988198.77 1612144.186 473795.612 1717013.187 694714.7432 1457823.152 749637.3869 1464014.4 456962.2971 613477.5323 615624.5136 1812694.791 958238.9719 955470.9404 1084592.993 1494258.233 807817.4077 1193925.077 1127569.289 1426422.317 Lactose 44845.844 52147.2852 60660.91068 73269.09687 70189.69518 57265.3477 47196.88505 67561.77873 73363.30469 53177.0337 41146.53949 72273.74466 66775.62952 55718.65157 80713.88803 64658.92252 45082.67947 60537.36308 78132.97202 63774.37661 46489.44007 42148.1274 57015.89955 56296.87878 67595.66309 51976.24922 58040.39906 54787.76473 81733.18994 54073.35908 74204.49819 66288.30175 76448.00871 44019.57556 73440.77234 75293.48985 43523.56724 51199.37829 60284.52666 69933.14741 49477.86997 59741.12031 64065.36657 60439.1822 44987.77908 64402.15294 52094.92687 53474.07375 43874.45639 44391.84301 75082.75125 75223.1238 73387.59734 67146.15743 69911.26133 69099.51071 55865.91082 54974.49651 67325.05109 65055.18249 49342.06629 55792.29154 70979.70234 71934.20095 76606.56242 47270.02487 57225.84817 67097.35402 73623.42052 43278.8438 68641.83639 59953.27438 77002.97168 60089.729 66792.33879 73588.07242 49705.69922 67398.60154 68733.15018 72494.03291 49021.39222 50767.33751 73843.55581 60323.29272 Choline phosphate 4916231.544 2973388.806 1761000.52 3684380.355 9061503.532 4149865.741 1864288.744 4254841.291 14704674.24 5814046.96 2350718.294 8092611.479 27287216.21 11722213.2 6933252.458 15441085.13 3099017.076 1847799.732 1791019.319 1527463.608 3979546.829 2191886.351 2494060.353 3546105.004 8362033.255 3203499.435 2559501.213 4185811.465 8023852.487 3419370.897 2312018.017 4535939.636 7343743.904 3345317.268 3161423.043 5708111.193 3442970.433 2965036.335 3259372.269 7038041.087 2822120.613 1323650.208 1506116.049 1575723.209 4843017.593 2351909.889 1643994.426 3855750.505 6579429.723 4384377.389 3236480.274 5524109.311 17893892.89 7884345.54 6712025.304 11390440.53 22280039.6 10615074.68 7756575.444 15250408.84 4295492.584 1610710.704 1830448.354 1631404.387 7307465.821 2739831.599 1474097.484 3952897.261 10032457.84 3569148.938 3274309.974 6218189.561 16687027.03 6589084.123 4757189.795 10519737.3 13015727.14 9231677.979 8586364.822 14793562.08 2499471.448 1218306.187 1745212.239 1336832.031 Glu-Leu 664591.1545 685178.1037 576350.3155 814806.047 901530.2881 839020.5237 554365.9588 901245.9929 1043629.378 919294.0562 597804.6159 919782.4912 1117170.677 902875.8612 788480.577 958211.8036 843084.2845 397374.8597 499593.0162 266248.7076 743363.2592 661204.5285 380990.3504 875283.092 916215.9768 772215.218 684764.9822 925550.1806 1170234.595 719533.3922 715364.0441 994587.3171 1094973.518 739167.0686 810302.0377 1019662.628 731031.9583 635468.02 746592.881 977374.5961 832776.2273 391159.5895 453201.7088 270257.0567 813379.6511 651176.7572 537298.8564 708962.9926 905466.1173 778420.0873 870256.2164 936356.6276 1116187.069 830995.7709 825085.2442 936081.1191 947269.6082 747902.6545 780093.8241 890908.1463 989451.4528 369511.0553 274781.7406 272206.7212 991679.7729 679518.2538 633366.3408 766367.6152 1086322.934 772387.2925 792506.467 1015549.919 1272354.195 801646.2036 783663.0128 1013594.34 912225.5785 783356.6117 800504.6983 918303.1948 832026.6387 408610.0709 452217.673 232300.9826 Glu-Met-Thr 99553.62754 168396.5288 85302.2045 152646.2079 74286.9012 76465.52993 37770.88385 43432.69125 163772.8675 73874.76414 37427.00076 63149.30158 142202.2959 94243.3341 66368.32939 62599.14611 55766.63351 71566.40846 48276.11598 46568.44729 54037.32494 108463.0934 103261.6147 156836.8783 73415.45893 65168.60659 43019.3502 48198.05945 132160.653 54239.14317 45176.76078 55994.79218 112853.3067 78593.02037 53986.03712 55689.86968 57088.36446 58196.67684 40319.85406 49725.04886 24802.46434 44460.78991 42146.46847 18224.66125 73600.26407 165700.7075 88652.50345 125340.2911 79035.32863 80227.76476 52537.81618 53601.07829 124106.2429 88384.11096 71721.94891 83319.40486 91200.12055 76976.5741 55162.2366 62130.69274 54838.81677 56333.31943 52628.63655 49680.75086 100895.8774 128227.4866 45450.69082 155920.3808 139583.9473 68952.69408 51023.12375 53832.49891 125633.8814 77244.14888 69995.29681 68175.82751 75734.66641 88660.29588 53337.36988 46962.34361 32438.35185 47145.35461 41993.06846 29576.1509 Asn-Leu-Pro-Pro 46557.94504 20698.3419 36335.54678 91001.35199 86679.50376 53010.26807 62373.43735 75961.33786 0 13905.82477 14749.77557 54041.18435 0 0 0 0 0 0 0 0 44332.57282 18483.48253 51522.94449 98532.35856 111147.2031 65662.30815 80451.29045 96998.87952 89404.96376 60847.48905 69741.69916 104787.2105 90829.04322 85245.1243 97581.77381 102291.5433 83528.08452 103530.5559 111872.6016 105830.5581 0 0 0 0 51010.15668 35436.45357 65344.21765 66874.75719 22121.45894 59089.29503 60334.87684 114503.0451 0 24783.68136 0 26666.80327 0 0 0 0 0 0 0 0 76565.86155 29206.87603 0 69170.65751 58111.34019 51264.4504 67351.80124 101421.8033 20121.97021 22435.62727 28412.51901 33493.22059 0 0 0 0 0 0 0 0 4a-Hydroxytetrahydrobiopterin 258493.8864 272215.4211 260623.7508 268188.5336 272242.8413 324266.2084 273281.8129 246735.1976 263987.4023 237593.781 292064.7707 194145.9919 283898.9043 221383.2636 268618.3868 233812.3326 192871.8138 276200.649 370446.5309 356409.0343 238753.2998 278341.0025 254201.5266 190603.9796 273667.9976 244322.82 232274.7402 253240.6569 252448.0821 213661.4045 345242.0501 270569.8943 254245.6134 213889.6082 269743.0178 237919.3853 182404.9179 247435.4576 339292.423 219209.4696 172565.493 264277.3673 298352.5765 447757.4279 222104.8608 271482.2373 305381.1549 187394.8098 182693.4254 276914.1534 332799.6291 270418.4265 278120.7343 198635.2097 270569.8943 267874.3561 214239.4567 211883.8567 290739.2397 220254.1742 143771.4215 319476.2506 275069.4619 347089.5438 262489.702 251274.8103 232071.0317 238798.6217 248534.7857 256345.0506 308572.8887 227070.3256 255906.6612 270569.8943 297272.3567 237895.2556 141333.8664 234955.0553 213766.2599 215411.0371 232725.127 286144.1795 391931.6037 322841.549 Corydaline 1844724.022 1996175.572 1146159.529 4080521.139 3321371.187 2068522.841 1413762.947 7083470.57 4101849.556 2189994.073 1453724.121 6746925.907 4753967.154 2122997.785 2948383.366 6900445.476 1575051.373 1005367.786 634022.1207 3775027.103 1774285.675 2297266.787 1461840.613 4277017.665 3151668.988 2023608.895 1410718.805 6766110.9 4973863.771 2276718.319 1790531.132 7432620.565 4683223.263 2460944.626 2951260.822 7458247.346 2814384.378 2405812.691 2394174.018 8370614.08 1310070.783 1149554.402 891197.0527 3628954.313 2474998.123 1906460.741 1446290.204 4269178.224 2754841.024 2667753.829 2242471.709 6532373.869 4541792.488 2911955.355 2526196.372 7734336.447 3998229.259 2487503.269 2477510.825 7263120.434 1723617.152 1245431.492 1088003.513 4028102.482 2289284.148 1964897.545 1756742.284 3609654.028 3993489.334 2092861.982 1893080.773 6398213.968 5989903.331 2568899.612 2270281.995 7921210.079 3168066.327 2567326.733 2710310.174 7773238.316 870633.0394 1120168.538 1017075.588 3482935.309 SM(d38:2) 333438.7958 280542.4745 291689.3308 416333.9849 251109.4522 402860.8637 306441.0252 477556.5715 290040.1261 373127.4107 408351.9202 449037.6449 309317.9841 382078.1034 382171.9862 469056.2702 680268.2232 206758.8107 259387.9615 503472.5465 385456.3245 483780.3282 194950.7985 404464.0952 316147.5576 338193.6293 289140.0501 439532.9399 213115.9027 381938.1905 278614.7273 392782.3838 220988.272 407263.7797 360380.5041 527330.8652 483246.75 339251.0729 283138.6363 548031.1209 357816.743 409749.0786 279182.7821 380291.8509 307231.468 374330.5292 326904.4581 477010.1231 363356.5532 324921.2632 260082.9072 392640.7425 242150.6306 265208.2582 267615.7121 453837.0272 259042.3943 375770.7511 287080.0437 380497.2096 269308.7187 333529.5801 308928.6677 388622.1297 274759.3244 276103.4561 530690.6211 410113.8565 223331.6581 369637.6253 276861.5929 430584.547 231208.6641 235604.6048 276203.622 483951.1558 306769.1858 458985.0248 285521.9744 422540.9392 604389.7216 508263.3914 268025.657 516812.0333 LysoPC(O-18:0) 447066.3283 380465.9559 521608.1152 366276.7148 311482.5673 362369.0762 446474.5623 322279.9658 287279.7594 478755.66 510223.6675 394901.903 281870.0549 436748.8874 670689.1125 331345.8884 1317747.337 808632.8798 702090.3075 366703.5728 744057.9256 498691.3015 508793.1109 292312.819 295338.1918 343049.7463 619887.2156 398168.1962 291489.3796 503755.0805 556876.0944 193984.0444 271460.271 441439.6227 524142.9929 330083.973 1200594.746 501643.2052 554150.8831 330224.2677 1060170.444 695964.6185 610165.6615 259961.9608 792295.7882 388862.6518 502368.3591 381222.9358 716748.5306 552978.1588 521265.9497 290278.9609 317245.2946 553799.8715 597550.2545 306320.7122 502980.9235 346921.4727 592248.5251 289548.537 467458.766 610599.0218 703112.9363 271735.1604 259618.1204 280658.8914 1521957.905 263644.1023 272351.3746 500762.192 530820.3529 277459.2191 314437.048 610890.902 544737.0644 286575.177 584613.1461 343004.5919 635518.3217 257857.0917 1635098.39 815288.6133 628253.3697 580357.1601 gamma-Glutamyl-Se-methylselenocysteine 158970.9377 525346.0823 85381.6692 87276.46466 174007.5351 395839.1623 119251.439 84111.12438 136668.9303 285480.6399 105048.2405 95041.73623 164368.7437 208922.9172 149239.4462 95558.7711 871765.9179 148185.571 174936.3089 42260.23594 136805.2067 386009.7768 113770.9913 121324.1253 191504.8866 322387.3222 130231.6609 94533.56627 116838.471 209954.9005 143927.1982 68271.72131 263590.6987 178860.3052 134395.7677 95928.55172 238441.3833 119801.3291 197964.0237 99412.99467 739791.491 123229.8241 148925.064 34267.25403 135357.7691 480840.3912 115132.2155 78887.54774 67051.3947 237491.4544 122941.2488 82583.30925 173940.2861 169745.3034 121739.69 119670.0755 277178.3248 162651.2864 159063.7615 107375.493 626354.9328 145514.8372 125319.2455 40050.64541 222944.1031 423828.3132 71187.37846 102990.0314 109356.0915 222341.1222 111220.9445 89578.39131 195437.5882 163766.3137 170347.1974 89061.85226 249707.8132 198772.8295 150976.7503 107134.8833 813313.0788 114383.933 132596.0596 37653.62783 L-Lysine 3400185.492 2850004.569 2167762.274 6529613.836 6212426.803 3358252.725 2617221.451 6400111.38 5894705.18 3034862.268 2111521.076 6260863.997 7236504.676 3556900.237 3887393.933 6880910.632 3055383.858 3071260.957 3515240.779 3771762.74 2653216.022 2307161.25 3308955.677 6060697.901 5394392.126 2965818.449 3184948.361 6203661.083 6593263.885 2900724.791 3690548.624 6648288.249 6925307.527 3837855.187 4807323.994 7597992.034 3639602.358 3523386.864 5101147.276 7973334.855 2723105.674 2526462.88 3287125.344 4184900.167 3068265.671 2561402.902 2648554.93 6699769.917 3369899.429 2761989.868 3849112.53 6235422.697 6895348.47 4055185.369 4337956.188 7276248.345 4465147.958 3331559.446 4867832.153 6678819.042 3752385.593 2607510.008 3620141.902 4021968.666 4943647.735 2746403.292 2072529.819 6936983.544 5988717.397 2548076.181 3738742.344 6570837.622 7724697.156 3612246.867 4132069.857 7448651.633 3704978.958 3704329.322 4755398.223 7035448.288 2557789.133 2266475.233 3625220.096 3047623.22 Betaine 111911873.6 43866406.26 40177579.53 37679298.11 142146201.4 51326245.46 38022552.53 40020413.3 158358030.3 44017982.72 34823007.84 31235967.67 158285275.5 45051789.52 50278401.61 39491744.99 112531179.9 67592762.94 69501715.26 67148358.28 100486497.3 38194330.7 45504965.5 43421963.17 184320143.6 45921176.13 37349409.68 39184360.98 166997260.8 41489543.31 47415878.28 34430701.82 139706949.9 45157057.48 51410877.69 36302960.23 77013920.81 35157249.94 47568915.34 33081759.58 118386290.7 64442152.12 70327634.5 71299641.16 106751264.4 42434394.59 40962604.47 40227915.41 107646060.3 52787584.54 50765361.05 35050934.97 155973504.9 46390678.11 49790871.56 36181399.32 124454908.7 40422204.38 50826691.95 38911649.23 155962773.2 62879289.5 73608030.66 68343950.88 154035806.7 44261994.22 36936817.53 41050901.6 157389934.9 39171204.44 49979042.86 35804099.49 172117763.1 50423617.24 49907705.99 35350108.23 99483264.73 47502809.02 50534037.25 38880515.73 126864137.4 55037160.77 73098051.23 57555968.8 [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 110992.0719 377120.6578 425497.694 167500.1422 171177.2259 466404.9538 428871.3087 139053.7324 179329.2316 351025.2156 317046.8019 142923.7201 166923.0815 424530.9951 496586.3336 148882.4018 229331.9316 1386739.791 1438344.663 1175487.752 115302.2365 312281.3958 514910.9889 144205.9434 150641.5365 302600.1518 440038.6921 148430.0179 204673.9508 390229.6813 516162.6033 145175.3054 146656.6336 336316.6461 553260.5565 128587.7206 93318.94554 292632.9906 476832.2498 109718.4387 225966.5274 1224334.536 1663291.1 1461386.47 122837.3863 368604.012 492302.0054 159087.5801 123900.8423 339486.3279 505052.2694 126066.4477 178040.9151 387962.7877 583798.3408 140115.3105 113692.0409 361103.8758 497385.9348 122353.5247 292798.198 1108695.205 1624848.017 1289738.729 192470.9553 347793.5312 376456.2905 153308.0449 155787.7473 342250.6382 478807.1588 115834.944 173428.3736 411879.9431 557685.8845 144454.1332 96165.35534 398079.6735 493273.6255 159271.9435 229538.2153 1026722.436 1441218.135 978397.641 FAD 98046.47031 110442.557 80962.28544 181873.4072 171543.5805 141408.6628 85042.76864 203462.2799 203147.2986 135125.0705 93082.38647 213785.0038 215359.3164 126267.1945 159047.8345 196580.1623 117725.7652 125934.2856 146276.7529 146379.8035 88159.27359 99094.21277 133522.2834 179353.6787 200096.0446 120392.0898 159273.6953 220441.2827 241508.7207 98049.88128 128779.6376 204451.6362 213181.5791 126212.3504 151086.1131 284863.0013 124246.5827 103129.8357 154554.6514 237089.7401 137872.8962 122832.2522 149083.2044 163236.1244 100966.5379 98785.65626 119864.5855 197933.028 181921.121 100346.9682 148092.9946 195043.4126 271130.454 140314.7951 164262.7325 226677.3641 173114.8334 136928.2536 194988.6756 157180.1584 189845.0062 118114.4799 109174.2845 167577.2965 198061.6127 102421.4818 110010.1336 222799.2052 193415.5476 88652.679 147203.8204 208881.9011 235159.0751 124828.5746 148641.3679 273475.646 154592.7317 130838.2389 178868.6723 205841.7035 149524.781 130179.9134 145249.5124 127340.4573 SM(d18:0/24:1(15Z)) 16620575.29 11520470.33 10656656.18 10323095.37 4432649.054 4275440.206 7619022.931 10246772.49 3693418.038 7118312.246 17628244.63 9983408.553 2670565.62 2959285.843 5775935.669 10668386.09 8113293.922 2714168.755 6364274.289 8114380.324 14165946.38 12731443.57 5762165.291 9055136.212 3964674.644 7268344.933 4904991.896 9241791.795 3055722.914 3144033.525 2370986.46 8773754.868 3935566.552 5931732.976 5736981.231 7955059.36 14002531.06 13713820.9 2992396.297 8957915.305 11128311.32 6704311.929 4579765.245 8124666.246 12497709 14298546 7770311.232 7909703.265 11277206.31 4198058.041 3642047.505 8429593.788 2053335.213 2219836.547 6010925.224 10146106.69 12358459.47 6247390.108 5554269.652 10259365.95 5824047.358 5963412.004 5892756.43 7284308.244 6554111.899 12481188.97 4710023.867 8461172.885 3955305.707 10752879.65 2414744.644 8747600.859 2104073.928 1545423.653 2152179.319 9666785.63 9948326.473 3287562.307 5125973.308 9577883.144 12130804.38 11570312.21 5216803.207 9292168.458 S-Cysteinosuccinic acid 136100.9568 147382.7132 111496.1341 290682.5584 300402.9154 176710.4417 154092.5619 311097.0274 302532.0885 152656.0453 98313.22605 282937.0307 313252.9329 155702.2378 237050.6389 302292.3754 144934.0913 193396.0699 279546.153 310642.7894 107698.1122 96697.26667 209052.4688 291542.4817 309847.8379 146302.4567 214125.6187 316849.7336 321696.9735 135015.7769 200742.6048 329491.8109 290451.6845 132153.96 241426.0262 340048.8123 93464.12396 107845.2408 228467.7982 338536.235 119905.1745 164440.3969 265080.696 425844.4627 145839.2868 130484.3941 151733.5262 310615.6952 153319.6269 134148.1625 246733.2448 315973.6613 343053.1683 178999.8115 241843.4662 341106.2741 186408.0101 134307.0864 218931.5228 319214.4526 201611.104 199621.8068 245553.7971 413337.5376 253422.3739 97394.25496 117623.0364 375059.3096 288028.8445 95622.22247 221442.0966 299267.4322 391481.3929 157050.1101 227462.2506 328574.9025 135320.6212 166975.0205 239341.9158 331194.694 106442.3392 138399.8066 293493.6452 246108.7375 Crotanecine 54302.00778 86288.94589 85373.42128 65251.60033 92343.41003 126985.2658 90245.9094 59010.64016 90683.83944 109141.9667 73445.61021 57034.2334 96354.40897 117191.3639 104326.2112 57744.18966 65297.34525 67730.44065 41264.84507 13910.53389 61506.84008 84262.37302 107578.6902 62047.28611 89294.01743 101460.7157 101916.1695 66163.89066 110376.6871 123231.2318 112318.076 73387.19787 85658.3765 94124.24168 125206.2095 64250.67551 47619.90493 82169.07861 143305.2489 55303.12399 61331.20176 54147.7791 53855.58386 19378.49615 59937.56001 87750.68672 97239.50319 80943.66158 71837.57294 122778.6567 146524.7976 58355.24961 99171.63843 122886.1881 105772.9427 71795.19097 78187.95327 119789.8572 126058.7622 62619.86839 64817.92705 70740.15921 42445.21466 17535.42524 82304.25407 102786.013 81031.03074 65719.68845 87314.35303 82899.08164 148925.933 66594.06298 125395.9404 113193.4374 122055.0392 41535.00371 62591.5994 95190.75576 128852.5217 59154.18575 62931.32579 56486.28375 37947.10409 16703.62087 LysoPE(18:0) 687078.8621 504757.7764 850414.4843 564367.5597 578922.2257 596878.6725 752283.1409 566449.0145 520574.0998 688879.584 853342.9548 557631.8406 541517.2333 849178.447 762231.9053 459630.8037 1359837.608 1126969.618 899875.2919 725008.8084 931517.7284 825401.1677 602571.5986 472973.1171 540506.0211 544110.4332 843294.5675 558985.868 513013.5914 800390.4529 1020210.923 583876.7231 418618.3527 631929.4162 896296.2613 575125.8369 1206308.493 395638.9019 851289.5839 466187.6129 1582839.012 1043835.854 901777.0341 613021.0647 944591.6008 504261.215 740614.3555 588550.9193 813731.437 717937.8198 854635.9493 538464.866 650720.9839 1062068.296 818550.5641 554507.7626 680128.2346 673330.8526 822376.3645 456719.0129 926413.9055 1045859.145 807873.9058 530096.6968 409903.8257 524089.567 1904862.631 550465.8487 598091.7621 640032.1451 776616.662 464301.4883 571594.4327 986052.9691 1046842.47 473664.0552 876805.3911 150447.138 869850.5546 484999.5539 1746700.17 1227963.391 1006892.928 968279.2323 PC(18:2) 790021.7193 740370.0185 936353.0528 506772.7847 593590.4594 966855.0816 1001066.597 690027.2053 578686.4304 939634.6096 1113532.143 718678.4488 452838.2718 1044320.601 731838.3474 384030.4906 1918086.617 1447553.522 884233.5172 868532.6549 1232975.437 1058194.445 593632.2314 491472.7692 594240.7969 831184.1396 854778.0024 587107.8261 616340.5079 1202208.365 1445109.793 653968.7807 509383.3896 920188.573 762317.6624 542172.8756 1700465.644 1528105.297 819412.2877 492507.5577 2116620.599 1690070.197 1256352.807 697067.415 1343491.676 601864.4666 658782.708 696532.7747 1247311.666 1289955.051 771497.0397 547242.5857 539621.5587 1423531.859 865477.3984 475162.9948 796176.3992 898812.766 700658.2208 450237.3293 797755.3025 1488689.896 887953.7251 675193.0648 455425.6356 649214.9671 1933697.905 453239.3859 1470065.596 1005913.116 866443.685 462486.174 519133.2469 1458406.108 971341.7979 362980.574 1297953.284 908492.6789 754725.4645 433278.4515 2393931.598 1273892.645 890490.048 1412780.859 Imidazole-4-acetate 58073.67944 85831.0695 83457.32782 116173.0023 25860.35633 30847.43217 51908.65266 71060.80835 0 15755.91595 13695.7652 24538.55172 0 0 0 0 0 0 0 0 71636.15258 86038.50612 59519.56642 101479.2234 46771.92514 45526.84864 65797.55744 69713.54043 0 11028.51653 21010.65348 23734.18779 0 0 21249.46978 18149.47387 0 0 0 0 0 10285.70519 0 0 52851.79567 98732.8475 78752.41912 93517.32445 0 16080.918 18654.443 26612.70813 0 0 0 0 0 0 13470.59468 0 0 0 19895.68057 0 83540.4516 84640.8345 59727.78838 138403.2233 18655.53583 13512.99128 17011.71879 57777.05646 0 0 0 22578.28235 0 0 0 0 0 0 14620.04782 0 gamma-L-Glutamyl-L-cysteinyl-beta-alanine 83851.06203 58635.42509 72780.62832 89072.13484 175319.7745 82600.756 73707.70899 80311.04294 185578.5267 84349.07008 60169.67712 85962.92637 200627.5578 79830.02828 100507.459 86249.50754 103546.8209 130993.5361 164306.5932 138450.8001 67887.06545 58412.5283 106651.9627 92617.04126 153637.0588 73271.64984 98658.64632 95558.58793 187881.7401 62694.34275 89723.00625 98353.55314 146593.3998 95810.39056 113142.3598 75143.05744 76887.40431 56915.76571 93205.22677 95422.18613 110424.714 124011.6392 156607.7936 186439.877 91882.04864 74268.85237 77350.63786 92748.96576 95966.14234 64340.6662 115556.8862 76224.68029 187368.0619 82435.71226 94226.57583 83011.69397 124179.1144 70814.19816 103305.4075 82580.99276 104817.0359 129236.0026 162959.9364 164571.5709 128902.5956 66871.23377 63182.26171 92223.47198 179282.4233 62184.57374 112251.2865 101409.6337 178238.3894 81716.21303 97982.32795 87750.48348 92998.5297 89683.40583 117643.2414 94895.44801 117056.2722 112140.084 147347.1689 122178.9915 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 234818.7252 266457.6783 238804.3921 186060.4064 111111.1434 255866.3979 255153.7991 216477.2669 99096.99277 276680.9653 292315.5351 203417.2199 82024.51615 289692.602 197126.5143 192779.579 46617.5545 101580.1545 117940.7641 75523.08276 244354.0876 361685.7844 210376.6244 186488.3234 118748.489 267877.1842 168874.7127 187443.9604 83805.71067 337405.8122 136268.1839 188106.3187 79648.17812 342734.3498 185210.6277 166135.4054 226080.4216 372424.2862 131322.5053 178803.3915 82962.83113 122539.4397 92156.97342 63414.88274 287341.5594 235821.6707 264803.877 194601.2102 221412.5813 302013.4119 152276.8763 200272.3478 70783.71297 147551.6433 153092.2201 176031.571 193220.6653 301872.0776 156747.8075 172722.3324 56055.84074 135659.8386 91670.35801 61887.66362 116605.9309 263439.9789 188516.2505 153423.9154 80358.88712 370945.5189 154611.2209 178737.4939 46808.98023 174172.4315 140368.1552 206288.1244 203723.4617 300108.0148 143214.6017 171608.2688 65037.9317 115282.3912 83212.42162 72789.54499 S-glutathionyl-L-cysteine 148215.521 603970.0729 348275.0788 697904.1535 542173.1937 508944.4553 302939.1998 666627.5282 388103.8076 383230.0625 299007.3369 639908.6463 736238.4682 391944.7187 417137.6263 450626.5455 412611.6292 411261.186 519462.4412 249298.4929 101583.4107 954246.7347 568640.1445 648039.0392 455427.7218 368946.3781 482229.114 764637.0663 1414771.944 541564.1417 444863.2084 949374.6902 572679.483 425028.304 524508.3696 500305.1934 195297.3368 420559.0963 737226.765 696494.2781 209616.2955 391149.1823 470329.1219 282777.9646 254531.9814 324651.6221 712848.9725 917282.7876 237345.5999 422822.3362 465884.2507 651976.0546 502269.8515 425307.869 576557.9536 758837.6686 287950.8545 300326.1247 509112.2391 585503.8632 318294.0811 429033.8752 616067.2084 211491.3871 235384.0761 681200.4696 522880.0766 552660.9103 596001.8009 299676.2486 627258.8167 745847.8674 531374.7292 464924.8006 567159.2875 717133.5128 293750.2204 412299.2304 411865.5226 477842.783 137099.793 316241.3075 611216.6695 234468.8663 Ala-Thr-Ala-Ser 57767.86951 58381.80511 44806.96273 72888.98921 93950.96716 50238.29057 46653.44293 77004.68405 92265.87329 52032.80478 38217.74312 77728.93054 86163.28465 60306.4061 61119.06284 79277.28733 45417.06372 63690.65361 68769.50175 49551.17997 45714.70803 36089.3742 63796.72236 74862.30012 79946.04489 45480.82887 69649.10613 79917.96033 103872.714 43456.71097 62242.59107 76673.96392 80968.96587 41582.00814 67806.11429 78946.69894 36564.4187 38448.90136 70393.34275 85127.24067 35635.21072 47011.03049 67011.55796 80363.27114 56069.1014 45409.6714 52839.22295 71046.89701 49356.56295 47368.11763 66899.99454 68048.28814 107504.2972 68031.95036 72154.91734 80855.52665 62946.78931 49125.75954 73848.14928 94678.12684 56987.87998 48077.2825 64343.13926 62388.95636 90485.65277 42384.76886 34946.43562 69889.95776 99783.59366 40841.7011 72632.18543 72182.72836 107424.6305 54649.511 62585.46048 82197.58299 55230.79637 63068.92777 64377.14644 77956.47125 37463.11869 47557.30268 70432.84423 50232.05846 Asp-Asp 229016.5862 200972.1818 144715.9224 416736.3921 510020.2804 235695.6052 166045.0515 466903.7344 498422.9455 226228.4094 120547.1657 484562.224 540837.3592 216143.273 255717.9538 432342.7215 217490.6235 202541.6457 262835.0232 359824.2626 194154.5501 128792.8599 155124.7893 441359.4218 556201.7272 216747.3583 225428.3806 453776.9588 552670.8672 201944.1941 236905.2929 535970.4849 582136.3507 231743.2548 307864.2109 502797.327 218545.8997 194321.2059 317418.7383 470134.9081 189791.9068 186058.4233 244437.8941 429400.4279 249007.0068 172282.8673 89448.72764 432535.367 280390.8085 175636.3697 291636.7246 425821.5314 529780.5157 229432.9744 256109.8838 520317.2376 295988.7215 189052.2111 265599.3316 484045.2616 314230.2855 178861.7325 245207.4846 426879.2095 429272.4874 161033.6111 127335.8335 406020.9565 494258.8148 165553.7166 272578.1733 514223.3011 613853.9351 199606.7568 247501.2818 503915.8521 228694.9529 221550.3564 295434.7244 476190.45 165975.6797 137134.2793 225388.6735 275689.6667 Hydroxyhexanoycarnitine 42604.73689 48640.29203 45600.25998 79951.5591 53563.39459 52564.01507 61140.91299 69971.61299 49613.63938 45604.08208 43127.24199 51054.13268 59217.76557 63160.2169 68680.0297 56076.85953 59632.20481 71469.43128 70829.63297 112032.2342 41015.71346 57072.12228 60970.56412 58544.89299 55228.10911 49848.09195 53204.90998 56116.41013 66688.3302 45239.53299 74086.65096 59413.02612 64614.90376 50385.79443 53801.23842 54035.49924 41009.59977 47920.20047 54588.26839 48417.59583 50719.50786 58678.11938 71720.74858 95534.91669 49707.30849 50532.15344 56306.9536 62553.93818 40309.56502 45707.0699 56534.96845 54464.416 52360.22485 51092.97901 71681.64252 52261.90907 44834.86046 45177.15743 66469.19694 59185.23369 63266.9867 66987.48894 76690.3466 88049.60037 54083.29548 45783.13913 49172.75384 55251.29369 56329.37089 48755.70184 72009.15855 50457.9698 46532.40457 52228.49151 53693.76948 50078.09956 45342.42864 45036.51065 60989.86176 56059.35449 59976.14594 57400.54851 77250.01861 80001.10096 L-Threonine 8234226.351 6193605.905 5593486.217 7754100.181 11055815.67 6513208.019 5948589.885 7675221.198 9265327.576 5617582.799 5279601.832 6840787.342 9395151.68 6366345.796 6942575.536 6988466.68 7896670.404 7479067.898 8638093.561 8933262.742 6927786.265 6534470.643 5904200.973 6958128.596 10507138.62 6769681.758 6733056.847 7327662.625 10413874.13 5527286.847 7371386.029 7417523.955 9706911.456 6207548.732 8527588.506 8509159.848 7727642.221 6410721.729 8112482.519 7888756.758 8444888.736 7290582.521 8947748.979 10098884.21 6790418.855 7189219.565 5783960.635 6656814.138 7499860.778 5330789.501 7201593.408 7007943.124 9951683.746 6717529.435 8169851.042 8334369.061 7109003.635 5749675.581 7133117.43 7051155.926 8397995.482 7744888.097 8940598.064 9569581.419 10569598.18 6234995.863 6330912.715 7183251.17 9480212.453 5901218.328 7133938.388 7869078.925 10000606.66 6076558.218 8036169.572 7496109.39 7051019.809 6700418.65 7642313.074 7287167.859 7818993.307 7120360.752 9225114.638 6924587.732 4-Trimethylammoniobutanoate 22160767.05 17280705.5 10921417.83 13832947.8 37255311.62 19324024.69 15092921.62 13726808.43 35347774.62 16241435.97 12643208.24 11193518.68 39231442.52 16008694.14 18755340.71 15160338.12 21311214.6 18478597.06 23196864.05 14144332.68 20994136.36 14133070.38 16562782.94 14127720.08 33391330.36 17078123.35 15181137.61 14080432.32 36401650.1 14051568.78 19620363.43 13642353.55 33475236.7 15221480.05 21435721.88 12932352.24 18608626.8 13215136.5 19924153.02 14391499.93 22256622.65 16767322.55 22243936.71 16704921.25 21784201.11 16143519.68 13759032.21 14290208.39 21785512.19 15640765.79 20954959.05 13078707.08 39041220.85 17039652.92 19457524.89 14453416.13 26370515.62 15455548.73 21373275.59 14048861.48 30742662.03 16716689.16 22221292.28 15854082.65 33887877.47 17334984.68 11971212.33 15011150.59 34423295.7 12715706.89 20042357.29 13577658.51 39880945.1 15577296.04 19769777.9 14026316.4 21886318.24 16133029.48 21906810.62 13845256.82 21483561.96 15322845.9 22403849.84 12135294.63 Asparaginyl-Hydroxyproline 84245.9392 49533.32753 62488.63477 45907.28498 117037.6907 46605.90991 46732.64903 32853.70674 105636.795 51832.32456 51811.11669 39834.34077 104674.8326 52092.35498 62569.4786 56241.10384 74459.67375 91850.37914 81644.14319 49027.8513 65030.03403 42329.47199 61079.69093 42208.78336 94363.23178 69069.51978 62264.6032 47434.93272 105361.7705 65495.62744 86934.72835 41736.92314 103119.7466 55014.25078 79705.71061 41992.49519 58977.60501 51992.04948 61024.0033 39347.73849 87458.32851 86238.62105 84903.27324 79111.74269 65170.48069 44251.22071 55424.78466 44980.81287 66562.24854 51382.36945 62749.74544 39162.82598 121091.859 62113.64008 65716.53573 43231.0478 74650.39865 62398.51388 74587.45094 59434.77501 100591.3141 77937.51347 97858.01955 71505.67317 110208.1929 52484.63204 50106.56595 43725.28535 112918.0814 53285.19905 70643.78617 28785.01384 102610.4741 80601.37836 65256.3163 59271.13791 63355.73579 61061.13583 70258.38322 37928.2061 71614.33535 68285.74848 98385.64168 63279.81889 Methacholine 16952986.79 9175168.983 5533059.336 13729716.84 28522146.3 10326595.2 7764147.177 13630140.76 27524133.83 8722937.513 6487849.305 11193518.68 29326474.36 8616326.205 9685856.703 15066755.79 16531129.08 8996159.096 11731747.33 13846557.25 16204212.04 7741909.654 8484655.235 14023839.78 25644541.72 9138967.762 7685847.911 13709894.62 27864149.69 7181996.26 9724127.488 13178327.92 26036295.21 7991076.609 10717860.94 13578969.86 14278896.8 7046331.562 10294145.73 14765305.12 17047625.86 8190489.358 10703849.25 15717812.27 16316453.42 8811716.516 6882046.982 14290208.39 16659509.32 8345768.968 10608996.01 12991515.7 29663672.7 8921284.251 10196082.91 14070544.18 20191285.89 8284454.36 10860404.26 13586727.88 22419648.65 8358344.58 11023844.21 15282764.36 25745984.83 9084674.927 5691585.516 15011150.59 25863492.23 6815189.203 10063462.1 13763653.83 29490909.4 8396988.253 10104553.15 13836771.59 16663446.84 8669113.864 10997044.38 14034917.87 16390476.15 7220616.725 11421570.5 11996605.55 NADP+ 2413714.736 2245187.631 1930364.242 3619540.476 5054909.38 3030762.65 1704480.282 4449172.298 5647135.022 2644559.798 1757385.536 4494349.014 5834043.24 2876541.015 3193458.874 4423365.544 2528418.268 2786807.674 3400506.068 3744284.024 1623018.974 1778136.19 3183735.702 3486622.628 4888837.59 2336039.405 2902309.879 4244714.916 5376727.775 2408638.021 2726494.538 5034079.039 5193318.285 2301944.851 3516764.574 4804496.796 1895619.472 1898194.78 3269649.603 4196665.111 2446488.016 2498810.9 3046199.676 4880973.734 3147303.049 1881792.722 1846953.517 3366387.702 3187294.12 2347735.685 3795760.24 4527230.64 5849234.651 3040184.096 3422805.492 4421586.669 3352388.351 2428356.285 3366443.385 3786681.368 3698381.233 2488653.006 3196510.759 4260746.505 4020652.804 1890067.039 2013116.028 3607133.278 5274484.173 1803673.525 3485342.888 4684308.925 5797002.873 2846527.997 3088740.257 4104623.797 2760670.337 2744771.46 3580883.991 4308794.229 2340901.926 2164295.304 3493883.896 3018900.365 LysoPC(18:0) 20720317.19 17945348.02 24159500.05 15174950.2 17745048.68 26174340.32 24598559.75 17110176.7 15647281.56 21778289.15 24780688.15 16109591.07 16799602.86 23969301.61 33460232.25 15534667.46 75385932.02 42630447.61 36439518.23 20769835.88 38727047.65 23594051.38 30564310.78 14647121.55 15671664.38 23150344.99 37984603.72 16766830.59 16324451.33 26190793.87 33389039.52 16240897.08 12609913.01 26468462.53 32589268.23 15426448.75 61813804.86 25931588.61 32210714.05 17381941.47 65033535.69 32916494.97 33700400.36 19666248.2 47907884.52 20064088.75 20992352 17324430.72 37163520.8 25756261.05 28758270.17 13340281.22 17893892.89 32027410.46 34156877.76 19430751.49 27588955.29 23777767.28 27455101.98 15989822.6 34641731.36 33356696.26 39581676.87 18282185.4 17494066.62 19184049.71 94848836.14 13377283.86 15462870.8 25175392.83 28414481.22 13949649.15 19100873.7 32145055.99 30752987.85 13268137.14 28021119.57 21062566.26 30285511.1 14698731.56 87508474.37 49877426.95 39711922.06 34186858.58 3-(1-Pyrrolidinyl)-2-pentanone 168307.3034 374497.57 176775.1032 130117.3266 151159.8993 182556.1189 138420.7419 71381.04264 151127.1864 193750.5407 234663.7699 48033.73502 114025.772 141081.0594 131289.9991 70562.66642 224825.005 157941.2875 77611.01481 44369.21002 189568.7549 406748.3421 165187.9872 124648.3597 157924.5057 293023.5052 118947.9151 71290.35201 127799.7259 209669.1922 139839.8376 64612.63995 134682.2342 256043.9778 97614.41623 74101.57008 250185.6751 242954.8822 99488.78702 76526.22411 269844.3097 232915.5923 85231.85607 63733.24318 175509.8054 308199.6459 223254.327 159186.0853 203798.4741 249723.7127 106509.6757 57615.75091 123735.9554 124184.5417 95006.30402 65091.79857 228966.3807 194962.3662 94911.21096 57473.07564 209322.6852 249391.4115 107126.4847 56838.58798 147193.574 357624.7066 399047.861 153044.8551 175333.8256 373425.8018 126506.1092 45066.66289 124991.6621 161737.0304 142482.2996 110431.8234 181976.1868 130099.5366 97215.51555 79252.62674 210407.5866 404028.6083 114056.4551 66883.44881 S-Adenosyl-L-methionine 1723826.512 1003587.634 864084.9554 1489632.211 2625117.492 1196607.766 971293.9955 1184782.465 2789020.01 1260453.666 855371.4672 1309982.124 2843914.701 1530218.913 1506659.885 1687633.516 937540.766 795775.6665 852476.8103 889284.252 1701363.282 855138.7247 1109479.999 1214442.71 2566383.3 1136584.096 1183267.887 1248878.882 2527975.919 1102086.884 1305045.784 1361971.954 2126020.448 1099942.625 1165157.724 1541255.686 1096064.24 1013197.347 1129082.035 1217410.154 895338.7451 706335.0529 820327.379 1049307.479 1602856.891 1013973.823 953943.58 1291183.704 1911613.125 1126126.636 1293076.273 1204207.568 2805823.168 1647127.121 1434383.776 1545490.267 1771041.871 1400586.391 1455514.529 1480680.102 1073383.325 664581.8024 857221.5586 1037468.851 2518964.051 1024074.188 793170.7704 1388141.216 2762680.254 1002930.472 1301797.935 1364929.461 2881872.919 1539005.334 1513955.533 1430474.352 1427928.377 1601090.357 1561244.062 1466415.161 848719.922 611115.8934 887676.4425 754473.2839 N-Acetyl-L-leucine 1640031.527 413490.5888 249093.8776 2001874.01 2397551.411 448517.9937 311966.9256 1864509.247 2431880.234 439014.4639 259348.776 1703541.986 2655346.442 423944.6385 429242.4706 1940059.696 1758323.337 365992.0424 409407.2361 2240274.325 1585547.498 400711.7106 323178.7676 2014193.466 2289454.751 421750.8977 290464.39 1832216.139 2652326.02 401437.3405 370861.7377 1879632.452 2384083.905 417100.6347 352748.7663 2061819.236 1346807.771 392515.839 388674.2287 2051632.138 1766210.004 366242.4644 431760.4301 2464132.114 1665514.893 434558.1094 270569.8943 1867358.912 1733397.81 446317.4866 404861.0974 1851149.083 2688341.627 443416.3476 390284.5201 1990685.515 1873621.218 425800.7922 437243.0794 2098097.41 2268547.895 343335.1548 425787.7366 2396886.274 2236985.278 392785.6894 282848.2526 1980432.457 2520453.923 369200.0694 364932.0291 1846941.569 2597705.705 459261.3448 365137.2265 1871093.905 1756321.909 498896.1231 407319.0412 2030084.963 1724570.018 335236.0419 456190.0732 1877972.383 GTP 711127.7265 942389.2891 1006572.309 1507715.951 3522841.827 1630279.778 1107490.017 2269186.676 3463131.764 1220851.093 1056973.473 1743324.168 4482413.227 1343407.076 1981641.31 1535265.801 1248086.055 839539.5997 964058.0036 1043292.492 576773.2585 848780.157 1677451.656 1372308.425 3824013.442 1214031.487 1988859.877 2094977.965 4058900.79 1460029.813 1771820.577 1872143.194 4121534.646 1304986.743 2276885.822 2014401.381 1330365.16 1235232.523 2349015.718 2391131.593 1077013.064 738353.7814 1163058.099 1221849.859 1087344.512 778575.649 1025812.017 1662322.439 2008048.83 1140783.373 2024829.69 1698170.389 4701557.202 1826764.205 1972005.279 1968008.129 1896516.788 1165378.097 2183739.062 1561959.12 1708486.326 786521.6152 1158630.44 1089683.326 1433206.909 789553.8748 1920715.663 1563142.384 4070337.961 946151.8542 1929917.484 1435205.933 5256692.68 1681505.628 1852422.917 1642516.835 1787004.205 1427309.956 2457639.333 2066547.063 1016246.446 613825.8775 1202764.296 805414.0435 dGMP 89436.22456 90537.74243 91822.6064 131612.4575 211483.3388 130820.2284 89137.82911 181366.5741 217460.4815 112331.5402 89423.23885 140550.427 214386.0714 128688.4821 128497.6794 132427.586 215342.2302 290370.562 187083.7778 152944.7397 84349.10217 102148.9745 124679.9637 143233.1531 229781.8416 136104.8009 118669.3627 161869.1449 218319.6001 127792.5223 100077.3331 154046.4314 201935.595 126612.7599 123132.3878 150432.7729 109703.771 94129.24463 120092.7156 161880.5734 198332.2815 236234.455 151732.4203 234737.6484 136753.1703 107672.2945 84871.90838 127276.2212 181380.9685 107542.5439 143326.2209 147193.2189 269828.5716 136173.0053 125271.8627 166401.3693 132780.6321 116663.3197 168621.9898 141712.258 307100.9168 293445.5187 178550.4569 159207.4835 156941.5134 94855.02279 598873.7097 144958.8104 225682.7134 105400.4891 135182.0794 121478.6452 219277.6529 122685.0644 126028.2703 136427.932 122337.5629 124711.2168 154779.322 157442.2033 161328.7163 223031.4734 190338.4544 105887.0117 PE(32:1) 258985.5957 270438.8005 227898.7358 354685.1046 135586.6595 294788.9232 245355.5315 347799.3231 139233.2494 282543.3393 161234.7821 321760.0344 89046.34655 315940.6275 118272.1938 290398.4117 128450.0005 173173.9984 163248.139 207386.4623 220123.4719 276295.8684 167201.654 364046.9021 133416.7161 280056.0802 125037.5006 354126.5492 118660.1734 300005.0208 161170.9322 295210.7863 109256.0653 334831.8384 140240.4465 259559.9881 180539.3772 392858.7364 139609.6298 271899.7062 151278.935 225281.7521 86776.15944 183102.9384 189650.2661 274538.3713 243029.3977 301666.391 155454.9007 332709.2914 136470.349 287153.9946 108323.1805 175775.6315 172129.8868 271060.449 164296.1587 357182.6938 140859.9999 318775.9745 113697.8224 218622.2794 127887.7958 181165.8008 167288.7828 301795.0591 221548.0036 275744.5608 87926.02951 350501.3931 156875.3545 314874.2125 75615.18202 212099.1376 123706.1864 296724.7688 156955.7183 321005.2735 116429.0118 273803.7338 163966.7467 196678.1695 85011.1611 238135.7406 Damascenine 119233.7391 113550.5223 184244.3601 141377.3719 230946.2342 176698.9553 177049.7664 70752.4385 280441.8208 201317.9627 366115.0931 136556.3545 207515.4556 269337.8864 211380.3257 118485.2293 469947.8526 277437.9248 76049.64256 70203.56321 268031.744 120041.6351 189389.0331 87739.72346 240472.8413 93646.41434 142011.0863 94252.97809 297324.638 287929.5318 249772.7662 163553.9541 197804.927 302830.1828 269579.9081 139864.3999 435680.2901 190558.4114 199348.0907 74080.07067 373384.8361 213574.592 207459.7012 113352.7618 245093.2005 95687.03739 190491.9459 108300.6017 399377.1889 218898.5074 311504.9739 152871.8164 203597.8735 211742.4163 188470.9948 126914.8129 195757.2093 213003.1766 213884.8288 84948.5393 282341.4283 244441.0333 171188.9079 169627.4142 119305.9155 109998.1792 242426.0985 91760.71593 256862.4447 241670.8101 383770.9728 115789.3898 182047.2985 224646.8943 270727.8877 110730.7045 339042.9041 255973.5359 247004.9628 83558.99206 678561.0826 190536.425 240842.182 179326.1092 L-Ornithine 8530499.186 8399153.979 6326547.667 18478340.72 13192653.99 10428838.72 7052087.081 17690182.69 14516152.78 9228088.621 5687795.757 15731431.66 16605387.8 9535233.122 11711081.29 19277960.82 8088104.365 8671973.183 9509825.49 11092134.57 7492619.236 6766570.699 8879017.658 17348009.21 13801749.88 9131848.082 8956235.995 16581561.74 15949176.59 8067820.459 9982290.164 18561025.24 16420102.56 8794632.917 12983425.04 18290041.03 8519550.759 8394520.672 12203543.73 17755746.67 7449216.623 7804145.521 9198620.446 10782267.35 7215383.488 8849114.132 6674460.139 18107455.84 8628771.496 8840432.837 10082930.09 16827936.44 17989582.16 10348689.73 11045756.49 18186417.65 11749239.63 9341265.719 12511185.71 19317184.53 8847888.098 7588174.504 9982221.139 11283536.3 13643171.45 7740927.587 5801994.882 19095817.41 14818584.51 7294873.884 10148029.01 17669555.59 18681074.28 10805060.84 10895344.27 18291074.77 9699618.311 10038329.45 12306216.32 19060935.76 6581248.906 6723138.643 9840122.281 8460033.969 O-Propanoylcarnitine 2244668.388 1704310.134 1416497.798 698095.2598 2925960.172 1913417.637 1656182.207 536637.915 3052148.609 1668095.138 1501011.165 517110.9248 3229800.607 1537435.073 1898499.457 434806.101 4795474.904 5871900.024 5741677.123 5353316.881 2275539.662 1383208.708 1638274.165 744850.6694 2902539.388 1551603.959 1642380.741 515769.0147 3252657.014 1482540.904 1825456.454 523375.7852 2776706.021 1357945.443 1849028.16 500035.2883 1966319.703 1314321.79 1898620.069 500437.8933 5048986.669 5354942.329 5195467.378 5433192.113 2139037.357 1619912.69 1569663.711 573884.7977 2385446.947 1523398.9 1948750.694 439436.4381 3763166.293 1715574.225 1797330.659 557448.4585 2279370.33 1494388.09 2063949.672 407417.5895 5900585.339 4978854.607 5203423.299 5659746.108 2975128.714 1601840.704 1558679.087 594855.6463 3083641.821 1348546.479 2093085.528 571455.6892 3562485.064 1782431.086 2031030.12 692499.8538 2263436.4 1636302.15 1926430.814 455280.6449 5177640.757 4788055.524 5972995.518 4495245.29 CMP-N-trimethyl-2-aminoethylphosphonate 4816104.766 3470317.925 2513292.271 3665500.445 7189188.142 3696224.038 2766969.719 3486648.25 7368908.157 3244679.935 2205854.22 3121694.625 6836329.396 3252344.454 3488646.144 3415282.604 5362466.241 3806071.892 4478776.298 2846873.201 4195311.773 2848200.005 3422215.871 3496506.579 6539332.315 3281703.008 3487798.082 3186431.013 7790345.284 2799052.753 3860601.24 3158790.447 6755606.675 2918319.024 4006247.976 3505709.898 3936364.815 2548484.843 4014037.752 3793554.759 4399565.649 3339902.297 3960280.388 3169835.119 4641756.743 3044296.511 2703585.555 3340695.914 4602804.571 2741520.865 3841533.674 3170811.989 6907856.014 3505142.25 3876308.142 3608176.168 5374629.183 3088790.565 4188757.574 3174086.771 5574213.741 3381329.959 4069100.978 3116786.959 6814615.055 3033214.658 2579631.013 3674508.581 6997559.267 2543780.15 3771513.712 3308256.247 7419036.999 3269994.764 3702430.407 3432448.36 4747556.111 3671704.303 3818325.235 3385291.18 4660331.865 2990892.871 3820289.538 2464318.614 L-Citrulline 5292959.597 3606442.805 3862003.973 2514814.683 7880629.073 4532853.341 3809395.366 2358746.368 7724034.052 3963313.183 3009873.22 2312757.182 8125775.145 4196974.411 4531171.003 2256108.412 9930871.647 9158252.053 11198486.09 9528813.592 4715352.836 3391327.475 4740670.594 2350830.806 7713485.467 3598122.446 4583955.617 2271608.42 8091557.68 3576901.663 4802301.666 2317722.414 8106375.113 3449555.443 5038974.873 2114476.31 4098250.656 3050455.985 5053191.085 2034217.021 8050267.767 9040445.801 9700363.379 10326678.59 4993917.014 3730434.15 4081458.087 2117478.545 5426529.738 3719414.057 5007525.902 2182735.287 9288342.783 4564438.592 4790751.91 2155912.948 5771016.327 3523188.294 5249964.6 2112545.555 9897637.533 9891985.787 11457853.83 9569581.419 7602823.98 3555082.928 3366966.905 2811989.568 8444471.63 3161862.926 4901918.731 2263052.977 9203490.471 4346229.922 5160088.203 2023552.501 4491472.923 4218078.252 4679660.88 2106471.663 8037215.365 7974134.09 10367271.69 7766588.562 PE(P-36:2) 734085.5887 840822.0118 810168.315 935193.7271 347276.4383 627837.6899 420684.85 825513.7045 391916.6837 926837.8456 1076644.951 913453.8043 462216.1282 812355.9354 375112.8403 1037357.366 315436.4118 258803.9464 290685.3416 323963.0053 693224.7264 1101644.366 423168.9124 759665.6226 374295.3595 941456.2183 466470.585 754153.5129 282049.7832 809689.5358 477239.2014 823055.7764 351096.1808 811640.2877 444763.9987 843922.0648 261004.4441 1133456.959 321956.1009 865182.8077 262977.5348 360138.7147 198629.2216 227667.4328 318369.4002 824014.1797 824055.5641 885014.2001 696296.8471 905786.6045 383541.7008 821888.1866 318314.4726 661887.0848 474121.6259 643566.0516 802041.2823 1055583.619 403125.2824 714090.4004 209237.1119 328640.2601 233362.1957 305936.4382 515305.302 846229.1627 454704.6938 842220.0696 433820.9647 1190952.04 469859.1342 1061005.2 267309.5122 644876.9828 482217.7228 1119894.746 636321.7492 755276.0096 383011.2364 804551.9635 304663.9078 326421.6187 163063.7167 239480.0712 N-Acetyllactosamine 478224.3668 482905.6804 492660.3594 791011.9573 761361.8815 600735.0423 492259.4026 901805.9404 735842.9309 541938.8256 382311.0203 835665.4672 851311.4994 589273.9078 658182.7454 855304.8083 412219.6995 552301.1549 604943.2185 661030.3161 458345.4691 436511.3765 582350.9699 858736.779 767670.6363 495295.7309 622482.2611 847386.2965 824406.8984 433682.2611 616097.2141 856455.9933 712284.6011 518069.7857 669909.0605 883342.0683 372853.7775 409612.6101 606608.4799 829321.3977 449559.7057 516627.4793 650389.5562 697244.0031 487324.0243 494397.1281 507907.0575 825544.4213 502330.7139 472560.8215 622064.8922 836917.5283 943315.1384 538397.7203 657560.1502 864951.5869 577296.3872 531583.7798 669393.5062 814897.8557 578810.1875 512278.3863 600339.568 854846.9589 762052.682 544126.8591 419997.9622 812601.2569 812906.3582 425970.2069 618432.3042 867116.5849 923403.0748 515690.7187 713221.2073 867531.1643 495757.1811 537973.6255 668245.1657 884123.7838 424768.0735 417937.3158 642304.4822 529882.5258 L-Methionine S-oxide 441499.7168 301468.7615 378982.2171 265360.8927 515108.7428 458506.1948 342312.2241 293159.5567 647753.0953 417310.951 328487.3024 412359.5379 676190.3271 397097.2711 536938.218 467347.9539 387851.751 364432.2016 458124.7889 581055.0953 288748.294 258280.1457 514881.2676 329731.0855 655115.2512 381758.9436 522809.2794 283112.682 845356.5523 317752.2457 531391.4582 410427.2774 602622.4132 347485.6978 597230.4721 416335.3149 310751.9765 267410.4169 629735.5962 650089.9262 432976.1047 397524.5317 435009.8166 804965.1658 355523.5594 314373.353 423212.4011 287537.8956 423086.9012 262266.5284 516002.0575 379141.3097 644815.2815 410516.9931 508096.8328 481402.2223 472205.2045 337660.218 533566.8829 471157.5975 478581.0019 334608.7363 437357.0496 739132.8216 902367.1991 352401.6757 303592.5986 305999.337 668945.1327 292247.6409 509634.1225 426543.5661 656675.9031 410138.443 558206.7083 430892.7343 387142.8295 331974.3891 621133.7949 437005.9728 361620.9282 323180.3922 444663.7318 452230.2923 EPC(d33:1) 124439.5803 130018.4254 132895.525 91091.69521 126277.622 141735.6024 73791.45025 116586.717 100067.9888 119050.9729 145571.9807 100881.7526 109823.8153 151195.6509 131520.0382 109166.9438 781978.8579 301436.8761 203520.0836 251801.8304 174301.6355 156690.7269 94784.51401 118877.85 128072.3085 100201.0782 149488.144 107927.2953 134851.8566 197902.1725 186307.9227 119010.5749 115646.9779 142060.2499 124553.0082 115936.4739 337580.0949 154339.7169 135914.0108 119599.6067 496311.2904 249223.8901 174018.3125 200499.8445 189956.6064 131188.592 90510.89418 113312.5971 189818.516 200953.6108 125424.8142 90432.06616 129324.074 195417.1212 136998.7653 130390.1087 169646.6863 128006.6681 117151.9818 115808.5431 304724.2888 257532.003 167813.0591 201466.3579 112228.3656 82664.90808 542117.5014 127339.4883 120268.3956 132016.9331 125385.9941 81371.20968 128386.7489 181519.2538 208076.5417 102977.7588 201677.1117 72126.9306 158135.9435 129903.3296 741359.5252 268904.6831 158067.6719 270569.8943 Lys-Val 557752.1229 345505.344 199802.2715 328018.9685 967176.9813 364424.2987 258159.2769 329120.8948 1073154.313 340273.7714 203749.0486 331913.7565 1349260.346 320522.9795 350074.7907 356497.2811 536285.4499 387619.5484 460884.9991 285183.1767 543682.2702 222826.2327 310731.5747 402476.1835 1041117.305 319003.719 311776.4205 372309.3548 1235733.524 278162.9639 370940.3697 345945.8697 1060476.334 303887.9436 414586.7938 361507.9147 464704.9691 254057.0774 353234.2453 322146.3083 551468.9431 314929.6764 368103.8338 318349.3385 604501.9255 285205.0939 251961.2946 296291.5047 612050.9899 306259.7417 380266.3376 346044.2519 1324695.297 491849.9161 360173.8941 380796.7546 698107.3998 293045.5899 482010.9691 367676.8148 727298.4168 319905.1429 401998.2591 332176.9089 1066037.327 284339.1448 165404.9202 377386.1018 1253735.317 267890.4751 386405.7606 335835.0134 1245652.59 346307.0959 413531.6933 343218.9276 597842.3478 325734.0158 397980.254 396688.5375 575336.4451 270569.8943 413928.8621 230017.6619 CDP-choline 401998.6343 259797.4237 164216.0312 218871.0584 631142.7219 292048.2219 161488.7284 246156.9437 648154.4692 285865.2205 131276.7792 233625.1375 816407.1077 322570.4576 278940.7308 329531.707 319361.0923 195830.6681 194113.7858 96000.20301 337635.2043 192896.4083 227542.1693 233250.2166 531187.3356 240327.7252 256525.2974 253841.6228 665263.6689 210654.5688 226426.1472 246228.2117 649766.478 248999.128 258253.6398 270945.1922 349541.0603 207497.6034 293261.9221 323948.6334 342156.0372 172490.4382 153733.6429 100624.2169 385571.0027 220593.8274 165607.004 197080.1883 382631.1249 212594.3463 236747.6643 226467.7856 723630.2844 327417.7394 302554.5284 313010.203 475867.2684 266047.3151 303288.3283 313221.3597 395330.3417 139211.3322 175566.6951 137421.287 594288.2965 223136.7896 178222.3348 231000.3864 589914.6186 205171.3042 269227.1039 238702.9525 754297.2414 271496.9065 251835.4762 276514.6713 438302.8496 300812.4624 322153.9693 423241.4701 276332.2579 124694.5813 182000.7767 81466.75739 L-Valine 13628871.74 14954456.68 12046654.82 13936178.75 18116672.73 14007361.81 12625809.43 13920143.76 17155453.28 13103885.84 10403554.21 13386843.29 19712828.79 14958943.71 16113743.42 14692426.45 13742745.86 15641970.32 17242113.51 14069888.82 13044900.26 11322444.19 15111405.05 13088917.13 17541578.88 12334200.2 16197448.08 14450970.01 18951374.54 14134714.15 18157441.59 14848820.19 18415916.13 12346311.59 17601690.33 15426448.75 14463140.63 11885311.45 18097772.33 15512915.51 14285279.08 16844591.32 17644626.49 16628989.79 11976971.13 12338261.47 13051424.84 14583842.81 11875239.98 13005636.77 17097142.32 14996917.45 20668881.63 16593588.71 17928112.46 15123442.04 14012056.15 13247613.2 18071712.69 14326141.64 16271116.25 13879452.93 16839573.05 16139741.8 18044194.5 12365622.41 36936817.53 13275167.18 17027566.06 11094240.91 16997948.59 14228642.14 20885021.25 15757380.39 19242583.82 15542674.93 13513143.46 15864145.65 18066572.9 15931528.4 12779015.3 14306534.69 16956639.29 12828740.03 4-(Trimethylammonio)but-2-enoate 14182890.91 4019318.184 2067076.73 3730662.404 17652142.66 3406040.833 2503711.615 3454195.464 19794753.78 3411787.47 2296765.751 2615568.9 19033076.07 3230175.037 3012359.77 3330958.604 15834033.28 4088005.035 4515914.388 5664694.687 13248726.83 3052897.381 3148649.068 3746986.121 17897753.07 3399756.011 2637541.788 3095944.782 19795742.71 3150812.575 3413027.404 3088632.788 18960228.92 3122511.162 3033543.278 3212118.021 11330995.53 2943259.826 3204465.869 2999438.334 17126550.05 3940472.633 4477794.356 5938373.609 12671288.3 3420888.502 2522941.452 3441213.093 13925641.13 3265648.665 3547503.596 3256590.651 18276649.96 3421882.803 3456724.673 3103663.167 14186118.96 3346968.076 3199597.384 3503592.65 19420364.55 3932389.482 4825534.6 5957867.136 18704347.96 3256660.299 2528601.93 3680288.64 17763893.24 2928918.643 3194864.015 3047147.411 19520673.13 3376851.188 3202228.227 3302838.089 13347338.02 3883995.477 3180715.511 3215856.768 17964702.67 3945613.274 4924970.659 5127587.409 L-Serine 10270059.57 8758034.907 7214754.808 88863.9551 12821029.93 9204431.708 7401336.561 10536775.48 13102241.79 8533617.738 7179606.188 10512831.73 12915301.62 9447753.919 8805324.275 10200474.42 8858837.885 7378743.705 8258594.642 8486599.605 9113664.659 7541076.388 8364161.843 9863756.008 14514098.26 8936551.203 8702158.378 9911883.275 13791346.82 7328742.863 8777531.007 10022953.63 14605726.58 8625505.361 10195038.46 10345881.79 8441719.717 7823272.709 9131903.469 11027253.19 8444888.736 6293587.477 8066664.137 8808049.388 9112912.816 8698676.708 7002155.471 9625607.378 9568538.689 8063453.995 10433640.7 9852625.999 15118904.15 9545774.149 9091507.265 9763234.737 10269705.75 7816343.154 9470272.517 10259365.95 8023084.97 7340598.804 7786495.321 9283922.272 12212838.96 9547394.206 7182559.596 9815693.336 12609602.97 7319774.481 9978895.191 10508735.69 14692979.77 8575079.066 9665224.752 10424964.89 8787688.385 8429310.721 9164203.646 10336527.35 8104138.513 5899110.389 7767867.208 7350521.317 Glucosylgalactosylhydroxylysine 92373.20141 95620.64802 75089.58775 104511.4933 139716.5205 100616.9982 81783.61824 98074.29281 167886.0671 87422.82384 54345.20507 111135.4506 173683.5257 99192.68188 99951.95309 116475.4829 74007.17611 100879.9636 107802.4611 89630.61226 72673.91644 63836.85602 115092.9724 98655.95176 162483.1735 76830.49652 100326.0803 109792.2433 184853.8592 81355.73809 100099.8618 114249.7372 180741.5857 85090.02901 130907.0577 118912.6109 57665.78174 71176.03562 102387.8681 110821.8065 68400.27531 81872.41659 109460.9766 87486.98868 80170.89796 77167.24926 77346.26445 116840.5534 93219.94636 82778.3412 115565.8457 111986.334 200275.3329 106426.5232 104873.9748 121351.4442 110850.4587 90936.53179 121797.574 117030.0416 103225.0253 81035.36082 108518.6994 109463.4692 163389.2185 72037.73183 59173.82004 108615.0086 159816.3344 64910.30338 114847.1602 95338.05615 179151.6336 94770.09828 100029.2139 103447.3857 83727.797 86964.87133 118222.5637 107075.1623 65805.11393 70151.84611 110806.4555 63507.98951 Leu-Pro 1988591.03 2263298.17 1624081.187 1965459.55 3487917.063 2383488.34 2097133.159 1847474.471 3674706.812 2301324.503 1848070.934 1577897.292 3852432.975 2257443.916 2846509.506 1859727.217 2047956.063 2478005.801 3017186.777 1716785.873 2023403.524 1755071.836 2182923.139 1990230.1 3431077.623 2205848.364 2357969.388 1806315.207 3665317.331 1892964.987 2868821.773 1838291.944 3497716.126 1923268.252 3026754.21 1855539.558 1831915.556 1759884.455 2922932.191 1966704.533 2132292.181 2338064.626 3019657.057 1961072.332 1898355.999 2189456.497 1954993.762 1824455.375 2233549.172 2045685.084 3123008.294 1691439.977 4041799.802 2577557.519 2862249.918 2199272 2501734.046 2023050.442 3258249.866 2001071.767 2523665.126 2167525.024 2980774.345 1710756.213 3001404.472 2122786.897 1662672.983 1987477.742 3424554.632 1681268.524 2972247.759 1749745.877 4296710.317 2373296.947 2940461.211 1941261.737 2161968.029 2282753.761 3035280.254 2115306.312 1888798.885 1848392.555 3008088.7 1424988.012 4-Imidazolone-5-propanoate 86085.65509 64517.03973 73364.70184 89636.25974 73502.83251 86732.44048 82676.00762 60426.90075 70813.08058 85440.169 72152.65025 54433.54247 64455.60164 55292.07768 81683.18913 60069.88978 36886.28379 118027.3026 147678.6744 114391.7206 52454.36881 62018.95242 96583.28876 83087.89083 80890.74824 67634.62385 94558.3298 76312.94701 81929.85003 61604.16395 96181.04646 65734.82069 62810.0887 50117.00714 92853.5729 73322.87938 42615.99005 48140.49495 76357.027 48738.77261 33698.10888 77746.37908 130762.0612 175480.3334 66305.72994 60847.05624 92713.82578 66856.31328 62184.19491 75159.64396 94447.6624 51361.47231 97081.0223 64435.25097 84010.15386 53061.28887 61353.0947 60180.98498 75251.83617 71615.40724 35578.08501 88462.941 118440.9119 127395.1643 109579.3451 63163.38437 81637.35315 71163.74356 82582.84688 53068.92136 104299.1034 66692.29176 71827.07438 51096.85484 80629.4878 48905.63159 60604.29165 42158.18283 82454.45182 59120.79133 49039.19633 90650.47668 142910.1496 89654.76576 beta-Citryl-L-glutamic acid 410465.4669 362474.9829 248256.4655 328901.2061 2019850.837 531683.9886 281170.4495 511542.7475 2039300.073 448841.6572 235863.7458 370820.2388 2285311.397 444848.4228 548473.7431 385706.8426 1396275.179 813308.7554 873996.901 980243.8499 339585.1875 289651.0541 493758.4902 300440.0887 2165934.432 418108.3949 520985.8358 482119.2422 2157588.425 415367.1792 461572.438 486129.0279 2272628.377 415972.3161 617243.191 453288.0392 517610.7575 303398.9634 568186.6187 499424.5308 1161630.948 658113.0639 961573.0845 1350720.733 553742.7299 303837.8326 219158.5088 344835.6668 960998.0287 377271.0232 579756.26 406463.6825 2314400.173 539701.343 552975.9539 448252.6005 968636.0357 393194.202 656748.4117 349346.5743 2068417.852 593998.7456 895094.6485 1130968.75 994922.3641 292291.1537 346572.0006 357501.6245 2113828.052 334108.7187 573747.9955 389961.8608 2535920.938 487546.2365 510754.1342 423749.3825 763228.4048 489306.2694 599057.7738 452321.9622 982000.19 508262.7073 927056.1507 663845.9068 Ala-Asn-Asp 80156.81887 54467.96504 41809.62563 144390.9899 115853.7559 66025.50832 50323.45372 154530.8901 141949.3134 59856.35669 36440.53419 157135.8608 154768.9511 50318.31091 72582.04723 172367.7074 84429.83982 76063.05703 67305.53994 150095.5407 57835.1951 51587.02091 61172.48306 161406.9295 145677.1361 77163.97949 65531.06871 143186.345 140720.9631 49479.72963 75406.83035 146050.0372 154549.3533 60150.77027 77402.19423 159236.9913 61380.14095 52548.54685 80509.66281 137546.8044 75815.55478 59664.07489 76598.89852 162084.1967 84954.37709 54493.3966 43262.59562 143497.2595 79679.64317 55560.07497 76444.3167 161646.6207 157221.0238 53964.74389 66225.73581 152558.1703 88810.46942 49267.09262 72595.80212 175233.3786 106298.4831 55907.83583 68879.45523 159587.9682 135443.1175 61506.95887 40132.26631 141174.7974 141055.5519 46474.08519 60714.36923 136386.0976 187423.6992 60651.7821 78797.12455 151711.8931 74556.23662 56699.15399 74227.46528 164646.8488 66546.23749 50040.83379 72536.71261 142185.1732 2-Amino-2-deoxy-D-gluconate 280812.5489 75318.04319 40959.51322 402480.2297 575602.6938 89002.38234 42940.00258 501262.7757 549500.0085 74795.07853 34893.82674 439425.5889 571738.068 80507.96477 61630.27383 498739.563 305168.0661 63936.52203 71047.27022 588159.5516 282124.2491 59463.22371 69493.04039 437475.6622 561261.8494 72003.34717 63815.7371 453454.3015 550737.7332 72319.93368 67368.70683 420119.4098 518654.6807 72822.41458 69154.50615 488367.0158 211891.5307 65832.03493 67994.49288 479000.8664 274082.1936 60485.79202 74475.36955 589500.2034 283759.7507 73536.62844 47555.63173 417614.9152 291709.8505 71930.89369 66166.68057 409278.6562 665275.6204 92511.48041 78199.68103 494842.4636 342290.5438 73242.56899 68984.08645 485502.3689 371146.4814 68057.5212 76087.03933 541147.9565 488393.768 64314.5989 41285.4987 491016.7461 555456.0022 65194.28662 66882.1708 434722.4488 627529.3605 103344.8075 69492.44426 491041.4055 288807.9487 90373.7931 78479.08301 445519.7389 248265.6221 50756.18801 92619.93818 406565.9588 Anthranilate 721094.2545 321502.2295 426736.5302 497691.1383 409748.6486 473576.2502 417647.853 245749.6859 1193958.397 416037.2441 266526.7317 473726.6332 1334218.875 391165.4157 422568.5852 595891.4783 914181.708 1890246.001 2152822.074 1879882.498 800370.8746 301892.3297 567322.272 522702.01 398700.1924 439335.6721 508994.0075 201986.0451 1370993.213 335333.1538 414839.3462 562389.3202 1144682.431 374541.8786 405417.6039 208754.8671 629293.264 325397.7762 407361.0866 526376.5277 972644.4997 1780164.614 2130059.937 1976957.763 714528.0345 427255.5091 496178.8584 500759.7949 742956.0212 369157.5619 424769.2675 519043.4219 543461.8082 494584.68 526744.3002 566063.7354 1003030.956 346944.4543 433794.9826 587744.1714 709507.4133 1804955.756 1981158.843 1939902.518 1150589.507 328757.0095 436311.2011 492803.6602 400969.5263 403320.5674 562313.4396 194472.7708 1121456.374 450764.3744 529977.8269 184017.3488 741531.4157 370084.582 461461.5108 511522.6741 634615.6811 1619788.887 2068026.017 1651580.834 Muramic acid 1314505.925 1391713.249 1376637.519 3003545.633 2579367.087 1553375.655 1386599.589 2703340.735 2655644.609 1785575.512 1164559.86 2850155.556 2577938.63 1707238.767 1950063.216 3237548.227 1239527.959 1783210.957 1997885.242 1822210.284 1263249.924 1139419.449 1792098.237 2970648.945 2714703.36 1608932.017 2115142.963 2912816.717 2593128.54 1425525.313 1886746.64 2708367.96 2672733.886 1444300.176 2337809.673 3117470.753 1149039.523 1310552.983 2245635.929 3112439.644 1222129.796 1375054.318 1813218.682 2350083.25 1588189.875 1349344.129 1380239.184 2759833.2 1583661.286 1440547.362 1976638.325 2764188.665 2900735.916 1825766.025 2064460.81 3422134.38 1786826.865 1713324.643 2325940.851 3068236.687 1610557.638 1544592.268 2054312.683 1963404.41 2119614.944 1233701.679 1366535.63 3077783.689 2715911.283 1333195.143 2082451.028 2803828.331 2717515.673 1568181.7 1998383.627 3005496.766 1637696.095 1916994.68 2274435.556 3028154.914 1147869.841 1232821.652 1662378.617 1585437.41 NAD+ 11080383.53 11852791.59 46736.63041 12490945.4 14214620.14 12371465.54 7619022.931 11406784.47 12725198.86 11535110.78 6725102.358 12706156.34 15051667.3 11722213.2 9950016.431 14598844.12 5706657.793 2929079.904 4353008.411 4236248.853 9699852.539 10065670.84 9647394.186 11322952.12 12733227.31 10531509.4 9527910.633 11301399.62 13885165.5 9395427.643 9035693.683 11971861.28 14605726.58 10232217.14 11414957.59 13301848.02 11423117.44 10139916.06 11041301.47 12802827.86 4445297.089 2915123.622 4158084.595 3935412.548 10154388.57 11992328.91 7271025.043 10962351.64 9995705.595 9945486.942 10082930.09 10986113.95 15310282.69 12668223.64 10535952.34 13687672.23 11836271.04 11124598.26 11207937.2 12754887.4 5467578.694 2916177.922 4193141.794 3989857.722 14853452.79 12712322.1 9570794.969 12151883.81 13898175.54 9046073.356 9471493.74 11438712.3 16791976.88 11525398.23 10104553.15 13836771.59 11357672.72 11741260.34 10386097.47 13845256.82 5045243.677 2745813.528 3913293.63 3451730.612 [SP (17:0)] heptadecasphinganine 650978.8341 459125.2211 357553.2784 250879.8319 269551.5863 345555.7369 333256.6526 199145.2077 253430.9661 344527.4588 552256.8712 208164.8931 163743.7202 244338.8179 208900.8288 184380.3452 680611.3561 255745.9362 208581.316 171849.3499 808268.1986 802083.7187 203607.2138 191987.9897 276494.7406 455518.0241 272335.2573 183852.7844 203586.5629 412949.9612 329198.7457 175001.5389 227310.38 297272.2285 164007.9567 256298.3219 994534.7199 515395.5702 214080.5231 189259.8763 672454.6021 422232.6207 167259.5609 156936.803 811042.0805 459528.3147 263936.7877 324134.1038 744231.1144 377507.6535 274016.1467 209348.6572 182518.0065 286538.4355 222764.0992 220687.138 527811.9079 144284.7789 223880.514 241889.0309 430076.4388 327474.3573 356464.8999 150705.8433 285124.6449 531437.6864 618003.9244 268314.137 206784.5887 334372.7137 250500.7662 120600.6891 177603.164 286348.2938 218930.9049 152994.2082 741399.8594 156575.4344 187745.7445 136965.9516 930228.5098 480488.1435 207422.3646 279845.9401 5-Acetamidopentanoate 2086080.399 704580.7497 555961.0213 2411863.485 2706436.965 793830.2951 554828.8144 2555581.792 3167542.361 674937.903 483063.663 2074112.309 2820553.785 768761.5494 701351.2329 2775933.01 1930440.648 928083.9917 874868.8943 3016208.035 1864504.027 613552.2829 710225.8458 2517526.216 2833746.124 780622.9323 611464.8602 2463887.607 3132343.227 703351.3271 807732.4984 2415993.762 2826001.709 704256.9213 753827.7332 2516941.273 1499588.512 611756.7197 726062.7536 2266594.421 2102714.551 766016.4348 854608.39 3248107.546 1872821.184 644874.5145 555751.0454 2418304.316 1783114.912 639478.5002 789675.905 2100984.867 3141665.701 810552.5922 751878.909 2451246.491 2088013.51 733746.2848 800872.9269 2772545.355 2343803.12 754149.7079 944877.6667 2882894.427 2810899.863 673994.8943 473081.336 2613102.29 2707858.854 574071.2824 735115.2403 2456035.678 3023223.058 747700.7555 765536.4329 2326396.072 1807874.551 761515.4027 873799.0717 2337082.433 1958938.779 716062.7784 895504.9407 2524531.692 Asp-Leu-Gln-Pro 85982.7114 73516.49848 75073.48488 153667.275 133093.2652 75806.44266 53153.61461 165403.0118 170229.3005 74898.45475 58653.09042 161161.5451 172333.3516 75601.20844 96808.48675 179187.8563 104079.0411 84680.93173 97169.10686 154114.9041 67190.3528 58607.6291 105668.0006 180139.6306 149897.8281 70067.61897 97232.9632 155591.4548 157831.1898 78702.53012 81380.513 160908.283 130662.4983 82005.50575 117763.3821 182841.8106 89557.11839 53737.46435 86099.01037 174874.991 87855.95231 75902.07621 118230.7701 171158.1367 113798.6786 65257.44419 71232.19893 152371.534 122559.4982 61686.42453 109309.141 158697.6856 151800.2567 99803.71023 90317.35388 184394.4366 114821.6881 72399.00891 102408.0666 187312.1502 131904.1799 83246.84752 100454.4481 186777.4186 118945.4442 62888.06057 78648.64279 206745.4273 142343.6067 54100.41573 88120.85251 147366.2733 154388.5512 80023.20912 94324.80235 176685.4148 108945.4445 77251.2191 101757.1831 149270.6272 106818.5475 77842.84224 100204.6778 130206.0879 L-Arginine 26703724.3 23373261.92 18069982.23 35614679.03 40507022.11 25663122.73 19374086.88 32770338.43 41191940.02 25654086.37 15966565.84 32219182.15 43504173.88 26681156.9 29585889.57 36497110.3 22605821.1 22693013.94 24352263.4 20323172.74 20688396.51 21141204.45 23563546.86 32722292.82 35706462.6 22960588.06 22295310.88 33163123.48 44376238.4 23197560.29 24955725.41 36101194.09 39190521.02 24608059.41 29365196.24 36210586.28 22017137.65 22690140.03 27976831.54 36913262.81 18468261.35 19162654.35 21491322.31 21564534.71 21263463.24 21793751.57 19341268.14 33474323.77 20760311.62 24226186.14 26917039.45 33568681.5 41242073.99 28994173.82 28973868.95 40010118.82 28894426.36 24117449.67 30843548.11 38079808.75 23844308.6 21010884.54 23870528.81 20353214.21 33777851.9 21264247.88 16370888.65 35740834.73 37920849.81 21335078.67 26131174.69 34595129.9 46807635.56 26382356.88 29435002.65 37624646.03 25036621.62 27784661.88 29936398.58 36414922.05 18890718.28 16730046.03 24600305.7 14839731.72 6-Hydroxyl-1,6-dihydropurine ribonucleoside 68386.53865 124934.8362 0 113534.8707 162544.7475 155549.5643 129387.8574 149412.0352 176744.1163 118320.3101 50278.57923 170362.1518 168487.681 81785.96075 110693.4925 175901.7711 87721.29125 149482.6819 191617.9149 108098.3184 133190.7805 82457.89712 0 166140.8194 198143.2639 145052.759 112313.3829 137778.1881 222488.2429 96751.89755 126214.5494 135739.3442 223104.2171 97755.4301 99996.17214 151648.6883 78522.8274 91686.67807 132901.222 131088.3122 102032.8956 79393.86989 80939.7262 209593.0402 113712.8857 75057.39393 53425.76312 111931.07 92844.23308 76075.84273 106055.5809 130710.3697 168069.9141 104939.9933 141086.6777 179178.8383 145169.2941 96709.71925 162974.8511 132177.5608 181838.9679 126249.9433 105870.3524 91557.04278 165098.1391 124701.1355 0 145407.7249 200474.7106 47372.82871 131621.9183 131504.4179 160977.9426 119780.7822 115728.0376 162562.4157 101734.1125 115533.8058 122906.8763 201835.7213 84836.44189 68209.10372 95640.45622 67833.38233 L-Histidine 28919801 33675220.97 29123780.88 47589469.67 53978394.14 38034588.27 35845688.84 46980485.18 44679587.11 35528141.19 29332243.12 45000970.37 47485582.65 36391348.43 40504491.67 45761761.38 28381757.76 32985916.69 35906256.99 34914168.55 33223730.35 29434163.1 38845702.25 49654780.85 50220560.86 36528208.28 41414651.55 45483501.76 56478848.87 36500820.67 44920305.74 52898921.93 62868127.47 39491284.35 52107974.33 66693988 38599082.32 36071504.67 50557538.29 62612369.83 27544543.63 26966799.87 29268337.78 38421318.88 30897113.93 33324837.06 34043776.84 49232704.26 38530454.9 37826852.04 47433610.24 50222235.18 56743735.21 46479890.95 45457536.32 47380403.87 38903037.89 38384110.04 50566042.25 49910428.94 30817644.14 29982685.6 35154778.79 31636750.51 52042097.55 31318538.99 30183825.96 51364685.34 51634943.56 30637172.97 45412429.81 47242811.8 68112456.23 41509442.05 45778019.05 50987555.58 36228488.91 40063689.87 55421612.53 49975687.29 25187624.37 25095069.05 32858979.76 31205043.33 Trp-Trp-Tyr-Tyr 1923003.192 2575317.785 1894004.029 4030505.742 2842804.18 2456834.516 2134280.068 3986704.039 3049859.722 2919605.287 2185090.099 3740187.962 4243205.333 2990173.875 2658191.797 4019967.195 1325221.324 956923.9758 1159604.901 1295653.163 1767457.613 3505944.048 2380509.456 4357255.844 2377999.432 2915456.96 2439889.887 2960543.825 3356743.92 2394495.616 2600941.207 4358221.067 3201668.027 2831970.739 2906646.418 4381430.596 2878740.287 2441386.135 3033926.742 3940020.745 681055.958 868362.0565 1090508.997 1429826.982 1872379.207 2330226.115 2736538.634 4500432.458 2278147.106 2673606.365 2588155.322 3528794.076 3270649.092 3161904.314 2916979.093 3984292.343 3086038.311 2681787.372 3071174.407 4418918.723 705967.0865 1115574.544 1042944.526 1389340.664 2352582.824 2556258.445 2426923.108 3677990.504 2888547.102 2079846.09 2755160.7 3642784.41 3256974.722 2724084.147 3060703.417 4121377.19 3288571.235 3332690.648 2994400.487 4302563.389 544639.7803 755696.619 1150228.257 1055286.521 Asp-Gly-Arg 165863.1786 136724.5213 123541.1445 276763.3806 177682.9841 122451.5007 114411.0012 256489.8562 158596.834 121900.9744 107678.4342 264815.797 193076.2789 118468.3415 126890.2399 270569.8943 96813.56007 112015.0342 145716.3286 138578.2038 132926.3155 103787.7007 139839.1655 298784.4965 177575.7349 115581.0623 149577.7261 243183.3086 167311.9785 101747.616 158768.1906 250438.6643 142513.4352 91768.03716 134945.0036 278461.92 93660.65308 104501.1463 111850.2907 256798.6482 74771.20888 125650.2442 125754.1964 176536.3858 137438.2254 112835.4732 126586.0325 278092.7469 122975.2918 100044.1076 168356.2044 273598.8138 163676.5357 103864.9089 154498.8813 278295.8015 126014.9466 113041.7481 133050.7991 274330.1021 108029.2457 120250.1831 118356.9853 163739.6668 214336.1489 130135.2739 93851.10722 281647.7979 187165.9706 83294.56733 154420.3243 281744.5804 203949.0706 107823.6599 133304.0566 320620.8912 125787.4431 110277.5891 121866.2211 265362.513 89633.15929 101713.3418 122704.6775 112955.9509 sn-glycero-3-Phosphocholine 4056541.705 5929756.671 5274202.538 13213562.08 7701543.905 7305493.031 6575716.017 12953467.11 8503972.33 8336925.643 4799136.077 11722941.86 9399150.568 6850204.203 9245590.489 13943767.78 3235332.169 6846620.894 8166380.442 4275312.15 3780478.849 4580472.337 8024515.512 11530712.71 7062250.344 6934370.845 7812886.719 12227743.85 9259200.651 5480625.245 8022935.271 13456743.3 8303996.037 8101064.487 11502094.67 15149326.91 4132443.547 6141791.207 10128111.12 15232561.62 3106781.041 5883848.974 7159124.063 4732299.556 4126654.554 5233593.591 7005798.076 10962351.64 5185410.252 6740156.38 10784351.31 11509262.23 9403234.015 8777968.28 10026148.2 14070544.18 6367643.15 8400469.483 11294820.43 15897395.88 5150127.341 5490976.514 8075265.354 4481457.831 6792035.606 5115184.744 4253092.924 13377283.86 10952866.81 4991974.88 10655430.46 13019672.54 10384044.11 7683446.346 9401627.713 17438123.1 5189570.205 7373608.293 11346156.9 15078053.66 3395971.46 5434767.571 6431112.954 3140537.277 L-Leucine 44875553.28 40653967.42 38258057.61 41189150.53 54071300.15 50201566.78 39618919.24 44177122.9 61552258.2 41526398.79 33161329.05 41521903.76 61663282.17 42427413.43 50278401.61 46978331.72 49294631.9 48141608.14 48882280.56 49951827.5 45453324.34 38311132.93 43797462.1 43214202.58 50487691.51 41556766.83 41414651.55 40944415.02 74022943.12 38745745.86 50083559.27 40463035.02 53977685.2 40336922.13 53327893.46 41753022.96 38046350.83 36237732.8 50142451.77 45136977.06 51458574.35 48447517.24 48167321.61 47836819.95 43915560.81 39551623.22 39626012.77 41793965.64 39726522.24 39611939.44 48661097.38 41677479.89 71671260.83 45230911.15 54379108.87 44317428.27 47432115.55 40337283.78 51956173.99 46213360.13 47763599.31 45165733.55 54077598 47133759.23 59303785.58 38714799.12 43485172.99 42684768.33 59734542.55 36098953.11 48795106.14 41197963.83 61500615.33 44210707.26 48677586.48 41984176.8 49327118.76 45530994.31 51581374.81 44665177.83 47504600.37 44326804.2 52275649.62 40081144.54 Guanidinoacetate 0 33792.92673 45642.39949 0 9461.951298 44555.15259 40176.36925 0 9536.588416 31232.82281 28249.14067 0 0 19292.60875 32013.09784 0 21362.3395 146300.4932 150180.2946 241298.5467 0 29549.8247 51301.60936 0 12100.35464 24514.59722 54791.75868 0 8477.051491 35463.94259 34738.8303 0 0 24041.53164 34586.13698 0 0 10353.98429 24502.41629 0 24152.68238 136609.5994 144938.2721 253706.5136 7225.638065 32522.06631 41406.00464 0 0 37191.00431 43093.16228 0 0 25162.10238 29019.07092 0 0 11172.23756 29343.72968 0 21359.45444 125972.6298 159116.7406 225714.0882 0 28416.45716 10578.34586 0 23992.44639 32272.78678 39924.35789 0 0 20619.095 41959.00594 0 0 10336.29859 22364.89296 0 25317.49625 128165.7848 144633.5438 195951.0727 Arg-Asp-Asp-Gly 154530.474 63636.74753 53652.78372 157166.4817 321440.6113 83391.13033 53797.51842 164667.3407 332440.4592 62559.53421 42235.90428 159733.9223 347307.9978 71344.8463 82590.49525 154091.9841 157995.0681 94457.06187 115199.7527 217800.6227 118552.8083 51975.45678 96763.80388 157606.615 297500.4474 80047.04691 82745.98349 157433.9245 312569.9692 69813.10706 78730.97735 170132.3874 295470.1917 67542.89972 93423.91228 175729.5509 101356.0572 59576.05217 86430.41802 142670.4178 144097.5733 74874.07563 105900.9537 253875.1289 145674.061 59185.27366 53425.83683 154345.5373 164102.9481 70492.35099 89420.38334 164359.962 349576.6345 80254.17251 87967.56164 167513.2384 179057.1473 68746.32191 91702.02945 154712.466 216131.7631 79178.99603 111783.4282 220312.2737 242467.0928 53410.83937 52719.61318 194822.0615 333686.8535 42920.00778 77120.40892 159615.7218 368316.4672 83251.7205 94771.30419 155898.7456 144308.3772 82377.44721 107688.8162 151157.3991 119980.9549 65357.53235 108832.5761 155994.5534 Lys-Thr-Thr 177239.2525 185868.2498 162903.0823 347403.7415 215499.6658 197309.2034 177647.2815 296408.3757 231491.9868 203531.5649 144154.8802 309688.4295 240907.8679 180017.9296 255410.1527 360306.6378 112616.4574 198238.4703 214307.0142 180421.4669 146836.8496 156980.6702 214485.878 318706.5295 218264.9075 193499.7036 234665.2533 339645.7625 235492.832 163206.6329 212573.2993 323221.6355 238998.1365 177040.321 255678.5757 383744.1418 119152.1832 174074.6064 236469.5507 312983.7589 134342.9499 158349.6742 214716.1584 178568.0269 159220.7856 156492.2349 160338.4495 342239.4492 156844.5681 186337.2514 241901.8499 324171.8308 276004.6559 231859.4662 226130.0545 358510.0775 183710.4038 186603.1276 267117.9148 322963.6559 138484.6678 161836.7335 201242.9616 206964.002 236360.8109 159581.5352 162828.9833 330588.3292 173731.1491 163112.1036 209749.5323 297962.9657 265959.611 189112.9886 228434.0038 327603.6926 143599.6755 218315.558 253217.9929 344000.2527 123948.7075 155076.3375 205951.6864 159494.4699 Asp-Val-Gly-Ser 45730.39621 37524.76467 27340.00101 85654.41604 90282.33366 43151.58473 45411.477 81396.8927 87487.3991 34935.65825 29649.21513 79817.91862 107401.8093 38136.67813 45363.89217 94641.05734 42147.27983 44116.51077 51048.06762 65509.71524 45529.17013 28449.75524 45160.52004 91457.67224 76967.86519 47770.28325 50722.13496 82591.40425 83807.34517 44588.81323 51586.80558 80557.41618 99223.04111 44046.33207 53458.7046 84207.64046 38555.30282 38306.38996 53432.02218 90062.49135 40401.18073 39776.75118 56950.52765 76994.89811 58646.66574 42910.38519 30479.65926 73792.63882 54102.91122 36651.61638 57691.34765 83351.19965 83317.69867 49811.03924 45598.86425 78506.03891 57432.24153 35203.72089 47046.53819 76676.57891 61201.36451 34263.74019 49891.01919 70089.97546 95358.51363 38958.06674 0 75589.36838 85899.95049 43359.07703 54515.14246 69975.10919 92583.23689 48025.85747 52853.82163 83332.31228 43950.08069 54599.87154 55665.97083 88223.60933 38129.4665 47213.72353 45810.70438 49323.12489 Slaframine 8098195.253 6424991.782 5262834.335 7482462.895 9260828.74 6745467.971 6428523.75 6939499.55 9291167.271 6969176.644 6017084.864 5815015.559 9807860.629 6168897.8 7605908.79 7214309.395 8787078.843 7397232.838 7328807.45 7295883.525 8402961.167 5658653.032 6744329.782 7239499.801 8407615.538 6491998.114 5789281.093 6283591.622 9569505.954 6357401.149 7796120.428 6742326.292 9071879.865 5878806.622 7356744.107 7721295.547 7389480.635 5806819.912 8242348.978 7157839.577 8208116.155 7296277.229 6999035.454 7482949.733 7600820.211 6200886.192 6090207.209 7105051.483 7014145.522 5502977.332 7510697.467 6222778.203 9951683.746 6798200.594 7712361.299 7301318.801 8621243.917 6402114.163 8688323.41 7073526.427 9447744.918 7069831.381 7451852.207 7039077.722 9472831.326 6061975.959 5496997.041 7741379.024 8792237.117 5881604.99 8026960.712 7194741.26 10449774.2 6003093.708 8571757.458 7517545.014 7661870.268 6322870.357 7528360.13 6973638.225 8460761.012 6575882.185 7532196.279 6128519.339 Leu-Ala 6085517.824 2261141.544 1545297.223 1677665.458 9203620.933 2465905.05 1875137.869 1677857.278 8793369.745 2367284.342 1432638.591 1426294.411 10099183.22 2183978.662 2407495.85 1765675.685 7551691.135 2638754.602 2941138.391 2767543.222 6064314.252 2042399.347 2131976.147 1882778.401 8993398.311 2286169.624 1863047.628 1615524.77 10038599.38 1911919.222 2412654.562 1911734.325 8541043.351 2091299.439 2430699.98 1707059.989 5915901.71 1854457.041 2421676.406 1640966.365 7876278.593 2717799.473 2962043.798 3263415.708 5869962.587 2049776.567 1762703.031 1686981.735 6086005.385 2102818.506 2398979.826 1770919.062 10334440.81 2260920.622 2392118.731 1754908.9 7085810.201 2207534.921 2266314.626 1597316.269 10722440.66 2522191.823 3236612.38 3083431.254 8073165.714 2109048.632 1658937.991 1859096.919 9756335.146 1951175.298 2190329.016 1842303.892 9867510.306 2351271.28 2697548.412 1619267.623 5973383.925 2418791.499 2622281.67 1709857.923 7632670.171 2391605.619 3111870.142 2498007.752 UDP 548838.5429 429544.2672 369526.2963 486608.8761 676648.494 399655.785 369083.9515 454367.781 659222.6822 330642.992 262980.1764 487493.8576 534053.0629 351188.1033 512684.6677 445249.4508 259200.8219 363786.2358 437130.5438 409651.3268 426201.924 351805.958 477790.5054 513885.9491 660129.683 366774.9066 495725.5979 465355.2774 581141.0856 288975.1368 465583.1565 451991.5033 539740.3377 360222.0334 487204.5496 467433.3191 247345.8156 305788.4149 476551.7551 501241.4576 177968.5446 306985.4571 426423.793 470113.0261 494784.0825 423805.9848 341102.428 462870.3412 382085.3391 306583.8467 512105.4434 451702.6305 451478.7063 451570.9868 513773.1303 481380.6558 330686.0755 330002.5828 505807.581 470003.7654 238722.3241 324807.7146 366619.4771 406753.2282 769236.3894 393918.2417 294693.23 538517.2409 556193.6525 320348.4464 503265.1243 466880.8075 541452.5063 389864.8848 471674.665 485400.2852 284684.3933 430627.7524 435491.1669 516860.6252 210379.8785 291233.1869 410267.4526 300454.0324 L-Isoleucine 47978060.66 40543193.67 38258057.61 44079617.24 61968311.34 49383618.64 39473794.99 42533772.59 68056248.73 41526398.79 38435353.05 35546985 67392626.5 41290183.79 51158934.04 45293849.7 52680525.81 48141608.14 58392106.05 50175159.07 50752815.08 44268046.89 42943710.4 41967639.05 56720739.84 41746523.75 41414651.55 40388608.48 60325414.99 44981649.16 50083559.27 41855111.91 59420813.12 42704707.91 53327893.46 42584388.46 46060957.42 40060979.84 49727365.25 44669720.56 43566154.97 48524786.01 57784061.16 50874078.36 48602201.68 41857840.32 38210798.03 43457894.02 47159226.4 40121964.41 52080525.85 41067140.23 71671260.83 45230911.15 54379108.87 43551684.36 51435560.17 40337283.78 52477473.4 45843653.25 57286326.33 48156333.91 57289269.15 53275430.88 58753657.7 41372830.11 43485172.99 44420751.73 55684743.05 40109947.9 56744395.53 45010867.93 70001553.63 45021086.82 54652452.69 42268494.03 48746799.72 47323553.14 56381671.96 44760008.35 53431100.22 45655826.55 58162151.34 45351329.64 PS(40:5) 5387586.073 5170730.484 4570739.123 4756776.02 2959540.354 4522178.607 4122684.872 5156268.717 3002373.522 4276426.844 4302809.598 5368827.913 2145465.143 4504586.281 3949499.646 4758706.141 3900988.704 3849511.994 4074481.621 4964676.774 4351211.579 5663506.164 3814177.544 5206715.138 2808947.941 4948237.282 4027314.116 5238416.415 2310936.944 4669910.423 2454605.351 4416263.249 2445768.379 5293640.499 3729076.685 4328224.128 4648487.023 6108164.919 2564904.5 4610817.435 4702184.685 4948681.307 4040951.035 3968443.872 4295499.47 3921428.708 4783591.722 4768004.865 4385767.901 4829685.717 3119354.328 5123923.108 1686342.833 2933521.89 3703708.001 4832994.545 4301877.478 4693131.298 4429905.031 4488916.713 3627629.246 4345261.415 3201021.421 3790736.157 3781650.846 4736695 3472584.204 4303732.614 2046072.145 5666118.562 3173159.918 4814076.931 1416333.458 3066774.08 2528843.232 4901429.927 3917498.839 4448974.169 3354992.481 4617171.721 4401523.931 4734456.443 3035358.579 5694464.467 SM(d34:2) 2472943.818 2685906.27 2833577.079 2854872.413 2145443.974 3327018.608 2772644.258 2782708.513 2391433.661 3565592.484 3037185.801 2855485.334 2366529.951 3251141.396 3055834.958 2649016.649 6733653.191 4074676.131 2522271.684 2984066.528 3614429.243 3322191.065 2594476.92 2338577.605 2004572.609 3124220.415 2497131.033 2312035.934 2585581.53 3773774.535 3680855.476 2778669.467 2291652.562 3201129.895 2628114.918 2890131.317 6676579.997 3136455.356 2758632.851 2642022.163 3907983.151 3486459.514 2405919.875 2209307.082 3168635.076 3235754.907 2476414.892 2451254.013 2999103.177 3330621.383 2445468.052 2468426.129 2372885.931 3632967.303 2592958.836 2769880.904 3071904.628 2966829.939 2727547.958 2457055.757 2338420.342 3226046.486 2590694.315 2366152.385 1774286.883 3163090.386 6612516.044 2746353.312 2187621.151 2880202.978 2610420.842 2807168.807 2588974.927 3982037.693 4206212.674 2803257.423 3477937.008 3058170.57 3109575.107 2742742.531 5859604.947 5433815.756 3088878.52 3071330.385 L-Tyrosine 37673303.99 34007542.23 30513779.51 36956681.43 49425999.45 36603179.04 32217582.68 36927048.03 49581145.19 34697613.21 27815058.13 33883083.57 52146744.14 33941930.75 39800065.73 35467704.62 36348566.96 37767658.91 40705608.17 37445259.66 35669649.15 28616547.46 32869440.37 34488257.83 46836906.05 35389666.73 37222370.87 34089467.71 49723903.49 31761534.16 39154672.63 36472414.59 48262400.88 35093967.89 37468944.75 36487708.11 33808742.75 31250888.84 40844513.7 34576980.35 32674616.23 34152795.25 37547096.18 37662004.28 30810324.28 32056417.66 29719509.58 34061592.61 32122951.31 36126768.81 42435984.02 33394298.74 61719577.08 35060647.11 38915049.79 37904323.1 38032723.85 33713477.18 41703952.37 34197886.49 37940943.88 32896603.9 38453251.87 38778229.18 47310997.77 32474204.64 26500376.01 33085801.29 44455753.54 29613089.19 41184084.39 34595129.9 57932320.25 35296532.07 41736197.79 35160563.42 36145586.19 36478572.21 41282555.47 37552888.36 34910788.19 30802047.37 37866899.13 33216035.01 Ala-Leu-Thr-Ala 1801603.325 1667614.389 1638523.107 3677708.538 2733078.926 2091487.885 1445962.934 3489557.463 3108807.085 1888193.703 1548356.458 3517739.09 3143744.156 2054203.921 2164946.809 3492435.623 1833237.485 2239538.29 2100666.458 2658213.114 1932156.23 1682368.723 1904654.086 3698362.612 2738919.198 1742173.994 2256883.973 3124463.91 2671838.899 1766888.533 2072887.954 3501530.451 2717033.916 1783165.733 2464746.398 3370238.658 1602344.29 1549679.112 2229470.799 3301306.82 2202760.24 1930554.941 2017690.217 3179059.652 2266151.208 1633914.599 1548834.109 3378734.051 2165521.347 1895002.669 2491056.267 3508177.892 3391752.949 2317936.995 2128719.285 3426300.505 2418779.192 1881071.483 2317714.964 3462381.655 2694315.019 1979006.013 2021396.309 2769369.019 2609469.99 1651088.24 1797388.77 3713247.561 2927484.083 1737777.787 2234367.445 3194007.458 2993110.058 1786818.054 2275616.541 3729344.489 2030550.222 2041904.437 2506158.773 3371367.214 1914322.537 1703470.486 2280582.542 2417356.237 L-Carnitine 7762267.941 5377152.942 4646132.649 4704412.634 12542311.89 5719618.891 5374246.168 4642559.829 11782591.54 5346520.153 4120634.694 3761503.674 11458688.66 4562209.269 6106261.686 4569232.328 18821586.73 19370108.32 27196323.36 41018564.76 7384493.319 4406733.977 6362817.603 5209699.1 11575661.19 5097793.729 5951867.901 4372769.037 11821154.41 4002877.465 6891918.991 4183602.19 10069786.65 4112931.433 6368651.872 3995220.676 4761071.979 3376928.867 5728036.261 4065164.182 18783958.12 17076397.62 22745679.65 43053137.96 7478677.67 4953735.299 5259150.656 4611496.741 7067332.501 4333331.965 6857432.317 3923719.369 11004265.68 4951447.917 6426980.636 4748576.544 6893379.849 4136954.885 5950683.965 4104928.055 25119004.34 16256596.8 24738548.04 44134338.19 12322864.54 4983144.166 4351767.432 4764752.109 11597153.1 3794923.781 6954223.136 4028265.295 11019734.83 4331977.597 6379677.894 4096250.181 5901724.471 4197939.301 5844059.795 3801187.522 17316491.75 16026445.96 21964558.66 33354724.09 O-Acetylcarnitine 13407264.07 8412280.669 6751421.93 8858842.749 20160605.04 8468174.098 7619022.931 8321083.968 18569364.26 8746012.349 6814828.679 6371980.847 19615721.26 7412854.69 9509750.218 8107133.993 27883832.19 22774060.42 23641248.41 48835169.66 12535333.84 7448665.38 9220518.337 8993563.245 17452535.34 7592016.168 7812886.719 7781968.7 19983380.08 7237657.933 9810181.713 7457970.749 18234478.53 7453426.028 10282175.54 7213936.275 10317654.46 6054288.719 9630007.294 6598191.058 28649482.35 19239923.12 22829303.47 47836819.95 12324129.71 7661345.447 7360994.176 9069885.643 13669340.98 7071036.781 10608996.01 7518330.512 17893892.89 7855152.422 9686278.768 7626714.014 14012056.15 7325970.862 10078455.16 6998987.974 33142089.31 19630607.45 23002509.58 49276202.83 18484296.8 8304460.203 7316907.294 8896397.199 17579811.44 7268984.193 9471493.74 7852986.61 18995923.85 7779583.475 9928821.791 6970950.362 12020894.49 8066340.861 10036984.95 7131714.074 29169491.46 18997201.8 21964558.66 40427867.24 5,6-Dihydrothymine 2413674.015 2410835.378 1773094.998 279863.89 3696781.86 2517002.526 1952992.855 692887.239 3329663.987 2506128.78 2104826.317 803644.3461 4109648.49 2201455.914 2679841.668 896579.7062 4843790.116 6035438.849 5521173.6 2171896.154 2504343.901 1697129.606 2417061.554 829604.3944 3770737.797 2271231.247 2718391.35 816591.1404 4615978.79 1981087.03 2718980.498 852123.096 3261341.719 2245374.854 2661054.695 858397.4083 1649837.052 1826164.598 2609929.973 853721.9989 4323578.225 4880276.813 6239818.953 2951979.217 2523339.956 1982700.963 1895480.051 745164.5072 2357016.213 2078224.677 2708764.701 823695.228 3958103.271 2696512.139 2330473.214 814652.0835 2275718.057 2251976.841 2682572.852 887585.7523 6243881.898 5371091.014 5823114.813 2793837.51 3783100.983 1942229.885 1725279.738 800070.5841 3732274.045 1825682.792 2419929.23 835537.0785 3772826.351 2489010.144 2755168.968 851893.2431 2426126.149 2357107.085 2550798.7 760888.8479 4999760.569 5108869.792 5704800.349 2202892.296 ADP ribose 1'',2''-phosphate 41776.37001 80187.68334 49052.41053 89156.52614 111960.4496 88770.92858 44565.42532 124865.9174 122497.4626 82742.47427 40402.71528 131708.7172 150531.4212 104681.9814 92303.67598 142453.8364 37200.94163 0 26952.45876 59683.31449 27892.36386 45466.6477 88413.85214 107115.2488 132807.2408 76435.14242 97068.59684 158427.6169 143062.7654 86419.28506 103424.9231 147526.1318 217567.5213 80566.11132 113630.1503 154993.52 42431.82539 63457.4336 119270.04 191248.5053 31352.40785 13164.19239 36511.50987 67613.42385 47524.66077 69827.70434 62255.96602 85890.49158 91485.80891 81131.72425 103390.7624 144439.7969 173492.9537 103256.4006 116816.6813 159786.2095 101043.6513 82720.1389 130767.6027 164716.2288 35655.0969 13578.27515 39248.55753 62998.81075 131918.0872 62973.5708 44920.38754 133817.8657 139474.6057 50467.71189 94247.48062 111543.8576 192738.2287 130734.7644 106598.5189 172885.2782 91635.81623 87081.06556 120392.3253 160566.9876 28085.31167 27214.66425 42448.68205 46261.50382 Tolylacetonitrile 128242.7748 118520.6464 101758.8421 125304.4253 177594.7524 120713.3449 116136.0749 121508.8307 152972.8999 102203.3164 88521.25879 99099.54044 174977.7111 125919.8064 127053.0146 113450.931 123461.0587 142272.5339 151127.0138 132741.7473 122079.7325 92172.88648 115724.1751 128648.733 159973.5229 93724.71872 125708.8114 144728.4187 183168.7876 94949.70195 167360.7991 122967.8653 164355.0916 113153.7212 161750.7523 132144.1175 123600.8224 108146.2631 144165.5547 129745.6944 130848.7662 116327.8881 131275.7598 124502.395 104876.8793 106220.4768 105949.9902 122662.3528 112459.8174 117651.2455 148282.4468 141625.1502 213270.2942 156943.135 140651.9103 165515.2152 135131.4998 129928.461 121477.8572 105303.3654 151862.4473 102044.6159 141045.6653 135678.6546 161661.9889 118188.8331 95252.73666 115897.0362 175610.4085 100556.8795 130555.5163 122117.4665 220886.4195 132059.2144 144220.2552 120462.2389 120647.5392 140495.7476 147630.5614 133499.1254 125855.475 117419.3444 131797.0027 101136.9107 PE(32:0) 258371.9675 288642.5456 263183.6856 354517.7737 179197.0762 422301.8614 263269.0789 411924.5437 128423.4728 388740.8752 190727.5601 374421.0019 107516.2596 330235.0846 295821.9959 328954.0994 146090.6323 177570.1114 253658.9582 197308.7881 261313.8114 273471.718 308643.8583 366894.7478 157352.7348 316739.4445 319773.6128 388171.3208 117197.8919 329654.5064 172468.9242 365602.4305 137815.5055 396312.1891 238736.8125 391438.9492 207053.0719 446567.6693 190250.354 328843.7 206329.1275 217911.7121 188010.0546 239572.3706 181935.9548 249575.445 352513.0391 361451.6434 188595.2302 388031.9391 228827.6186 356036.4658 107503.258 216097.1041 224439.0447 315273.4548 170481.5759 450545.1151 247848.8425 372872.3229 126542.4441 203874.4022 163435.6924 172435.8565 262012.019 302570.5107 183871.6343 363405.5955 107026.5148 392927.5571 192794.3957 379663.8521 81553.94997 262950.3567 150222.9502 376033.8444 219618.5558 362895.7489 210920.4746 379245.3809 188900.7296 200307.3045 138271.7427 213660.4116 L-Asparagine 23047197.73 19606954.31 14892842.49 23846350.31 28522146.3 21164407.99 15818542.85 25906934.22 29880652.14 20301794.97 15244096.79 22840828.66 33890528.31 20295175.09 21132778.26 24331406.87 20912874.14 18640690.02 16975482.88 17494306.2 20382656.66 17169928.48 18953287.69 26073953.96 28048717.5 18785935.69 17594874.97 23807046.74 31147803.69 16712220.85 20394851.46 24222137.94 28032108.78 17927520.95 21174310.64 24201973.48 17411041.91 16373471.01 20671308.76 22054506.39 17836867.8 19085385.58 14801416.54 19362522.36 21350252.88 17757871.65 15881854.32 23882266.08 21614645.43 19465953.07 19026050.69 24500777.93 35500717.98 19626825.35 20732035.26 27279626.47 23411447.86 18852372.63 22155224.7 25787054.95 19270400.35 15949868.56 16405563.44 17639452.32 30367059.03 18606216.89 15654662.28 23997417.6 27612269.28 16214659.79 19450388.93 23993396.54 34318602.76 20079404.72 21263494.45 27294453.54 20974388.31 20883310.38 23914207.61 25604242.07 16205273.03 14697423.62 16165915.18 16642689.77 Deoxymannojirimycin 25523.02287 26467.68128 23193.35533 12455.9628 31926.6763 10961.14803 26573.0885 12962.30314 39015.55913 13208.08304 22633.53697 0 38245.82763 14113.6742 17882.03655 0 42941.39332 96096.78409 84990.51024 63049.36324 27339.61169 15352.1515 27607.22005 12970.96126 37356.97172 23907.44548 33936.24412 19774.24513 33391.30532 21534.72744 28590.6727 14789.10408 22843.64023 11344.12429 23876.28685 15531.85067 9122.765755 9025.778495 24142.2509 16734.96828 41562.92637 75785.95574 100415.2702 51384.81827 23966.53354 24923.33547 22951.24661 8771.488085 13596.18781 11985.35606 31819.43952 10342.60069 27939.88476 10539.99639 25894.87761 12595.75526 21718.54765 12315.97703 16528.94136 12853.11787 52044.23967 74311.16488 87375.26996 76884.77437 26786.15202 12425.50259 23858.4619 8336.457456 29422.65442 22217.95423 26932.91688 9704.127018 33756.02848 24221.40451 25009.26329 11807.27877 23746.95808 13498.37675 24073.25666 11096.16432 40178.42432 73754.06468 92707.14433 49299.80237 N-Gluconyl ethanolamine phosphate 206598.0099 114612.6868 37000.99828 279114.8849 596621.402 171916.5946 68231.95578 344590.6816 540114.055 158630.3964 71073.56372 358996.4938 617090.1375 148525.6353 146633.7994 407258.6787 461105.8147 150980.2055 188912.4334 515552.7837 270441.802 82744.59186 106747.6363 261264.265 514340.6859 122736.1363 124917.3596 408093.5403 536953.0123 119152.2755 136906.6659 351612.5797 464927.4078 134712.3314 197703.1307 317053.6179 132703.4608 85153.55542 238296.2687 288454.9834 526672.6385 139854.9118 151680.6258 725304.5691 256158.3651 92530.81714 65699.69822 269596.9244 251081.3119 167151.9847 176081.0029 389468.5021 501141.7648 193158.7399 153110.3155 380253.6447 329193.3238 161950.2934 229027.8162 324587.7089 779580.0158 129266.8431 146781.4142 653472.2128 608132.1958 87005.24516 0 283370.7933 582563.4847 119187.977 167722.3687 326726.3866 563634.3798 167185.8762 192029.0286 370994.2623 229615.1213 217502.4505 188565.5453 334100.4792 348829.0933 146859.2904 80584.95247 471966.6588 2,3-Dimethylmaleate 490830.1729 1141865.956 798832.0488 1087281.569 1133699.804 867899.0773 556502.6865 1251935.679 794250.5921 495300.7578 413844.4459 809364.1963 714514.1783 324468.5923 352052.4665 710943.0035 210231.8955 262630.176 199908.7524 296683.0077 521902.5098 892555.3715 908096.5152 1095302.4 872200.8604 786422.7341 892725.6855 982404.6157 942379.7917 504944.3712 686772.3663 787675.0981 683521.1854 319531.8989 406527.9754 724832.7095 273368.9035 252224.1265 348851.6062 418983.1718 508779.1426 313670.3645 555475.5249 434658.3019 519609.6098 1023627.071 863272.5405 893600.7435 606186.896 453980.3461 714323.045 726670.2946 685732.012 389719.8903 452326.0118 551133.4642 311063.4855 309439.644 322919.6493 485988.2446 268567.8721 217098.6548 216626.3917 184186.3562 917940.2879 1112214.784 646612.7558 911210.6029 746096.8619 393847.7125 685265.2677 734918.7242 657194.4866 416233.5103 437237.9085 619614.4818 336676.8604 326689.7016 340053.9501 445496.4165 204806.3063 179500.0182 205514.88 152992.3248 Hypaphorine 640693.6758 7944760.597 8273801.385 9100575.576 912424.6796 8045735.582 10158697.24 9956769.494 862794.1689 7929775.913 9030863.03 8319507.128 900730.0681 8337062.847 10654442.37 10013309.75 857384.1468 16452435.1 15997837.27 17419862.35 792494.825 6645565.92 9135143.167 10232370.04 812566.393 7099113.539 9146794.208 10097152.12 872452.6788 7228925.174 12133645.8 8854197.423 761143.4213 7489000.318 11763505.91 8605496.635 562455.7057 7193768.435 10543197.64 8900051.196 903494.1794 13367496.78 14216049.78 16704921.25 585311.7042 7129084.378 9120272.781 9171674.994 596735.0807 8153221.791 11485772.54 8806329.433 911928.5207 9099709.936 10790854.42 9858952.724 681422.718 7289438.87 11034170.73 10074512.51 898088.2916 13879452.93 15537544.21 18282185.4 907909.4624 6913078.636 8117478.537 10313783.74 833955.3061 8202980.173 11754800.27 9070458.979 1003297.464 7922763.137 11686135.38 8773328.229 601639.6551 7868818.803 11433435.03 9862374.722 985516.5028 12664801.2 15463049.3 14562353.55 1-Methylhypoxanthine 76285.506 79734.40233 82629.07893 86740.79279 111106.1715 103608.6356 93763.5964 94227.90907 103626.5891 93032.19686 74666.43615 81068.74585 108769.3489 98962.7756 117949.8502 101708.9655 79301.61874 112370.0052 104856.7968 85818.81346 103130.948 83575.21088 77238.88276 107797.4258 111232.6432 73562.92672 92815.13903 79554.16033 128990.5196 86641.7574 108372.6512 90586.57615 102654.3096 117605.0659 137354.0852 86525.93058 65751.67846 83914.39609 111593.0667 82633.12043 101247.3471 105513.3876 114015.3717 111997.4564 81164.16477 88636.4903 86715.26859 94904.89237 81058.85164 91482.84046 101959.6439 75757.40941 109022.1009 109770.8269 98634.38368 102791.188 89101.37867 109329.9815 143476.9636 90614.61497 109603.3427 116711.8332 107360.3752 89348.67998 108490.0919 88261.86 78854.62981 112621.6599 91749.60255 98759.92581 99582.45668 86460.1652 121275.4615 117789.2392 102713.7988 93182.92677 80563.25765 107185.3831 95931.55197 109039.2803 94959.70234 93402.44472 118219.2813 89696.1666 Dihydrobiopterin 25595685.94 31016650.89 24225690.46 52338093.54 31309326.72 30877542.09 26340050.7 51910536.1 36384642.67 30083568.9 26731354.57 46362344.27 46126077.22 34466805.96 37422628.17 53248348.1 18622416.5 14750459.06 17330990.38 16898755.35 22624748.89 35624681.54 32015688.67 57341922.66 30007675.55 26471091.2 31315066.28 46224577.14 42781320.74 31345807.27 35454340.93 52713311.68 42093522.58 35347659.22 43307129.17 52006530.81 32887523.6 33910538.95 43916153.95 57939804.92 10496917.77 13676571.85 16306645.34 18451344.84 24040731.9 30672687.4 31763708.65 53735098.68 27594982.11 33151623.14 40682430.97 50309426.56 41242073.99 36488052.59 40189560.15 53602073.06 35421781.71 35157127.34 39531871.52 54069631.35 12596993.22 15106365.89 18922819.2 17425207.96 28056521.93 29816173.65 30593098.17 54734535.47 34423295.7 31917277.69 35095266.98 52822671.46 45653187.15 38538050.32 39978884.2 53451638.19 34902045.38 43828063.42 45908296.36 54812044.13 10926984.1 14619245.83 18889520.45 14909076.26 Indole 151316.1932 122156.9592 116425.7787 125255.7132 189000.7947 142317.2083 147748.909 153812.6042 199852.5325 132009.0478 96875.682 145899.6101 216694.6361 142889.5006 149939.7034 148710.415 126951.8204 150278.0391 167030.5027 151587.6631 150419.2767 149890.3913 142342.819 149732.2776 193281.0549 134791.8904 144126.2924 185153.2125 222726.1025 155620.8384 157833.5745 131561.1414 201647.7612 142432.8194 209165.3192 162876.2506 184250.4222 117438.0326 154510.6522 138023.7856 152070.3227 130424.4881 164661.3164 161933.5558 154622.4938 132790.6022 129728.7428 142222.7026 119465.3814 113611.5423 178367.1292 132909.2273 210496.0081 177681.7336 179390.2944 194166.9141 151223.6746 142604.3198 166536.317 152087.8505 176595.0946 174220.1315 161365.1817 136189.0806 182481.8192 144737.9852 116037.5782 129275.7001 209068.828 111340.3216 183249.6988 152493.8737 226820.5302 153939.0124 192307.9884 151148.3379 159291.7615 165144.0757 157938.2858 163152.5567 148607.0995 127338.3707 182183.9336 157043.9205 N6-Acetyl-N6-hydroxy-L-lysine 601253.2584 1124990.267 962771.797 134883.6368 856999.4485 1143730.103 1019323.863 159882.246 992186.4652 1029825.852 844290.9595 161155.92 1046834.843 1222068.828 1327014.65 183302.73 661398.0265 436058.3691 247762.5331 97007.8181 614850.1631 853906.6801 1195924.386 167549.842 819542.7324 1058464.964 1216129.651 163899.5323 901703.9964 1066493.284 1223538.664 172371.4271 936859.951 1060702.072 1296257.859 162446.3797 631920.4659 1043567.331 1349905.47 154185.1218 711904.7617 378162.4516 244790.6559 80710.40244 532308.0198 1050363.478 1019297.214 153072.7849 608090.6187 1042960.264 1375917.517 147378.2145 984267.8122 1163740.939 1372919.133 174711.7695 870759.9201 1254912.324 1531085.131 183881.4147 881503.4689 343339.8515 237982.3908 82400.32253 733088.0364 1227596.009 930584.3007 147304.526 911792.5099 1090814.995 1394727.982 136461.4547 1092286.284 1102805.703 1318098.76 176790.8194 738440.9059 1282035.275 1411284.852 194227.2311 637204.2419 328450.5033 231066.6629 62072.53585 Thr-Ala-Ser 600488.0887 385679.3841 343868.2454 484058.2005 622127.6449 349228.1643 318116.9284 468359.6702 564337.4137 401523.537 254780.2882 551610.4555 454633.7294 336119.3732 388938.3551 509177.3856 295461.4739 382035.9019 444798.8405 432880.2759 489000.7617 313612.2843 445221.9591 515140.9529 542224.8398 400829.0996 396198.6315 433361.6635 546278.2379 327659.2512 368799.7171 478266.7226 490144.2571 340631.4601 362185.821 511742.9353 263125.9829 300225.2268 436063.9045 504198.724 288394.7508 354232.266 430406.7173 393774.8817 486878.7934 347544.7906 354130.9047 491072.1225 420390.7839 369656.5363 445867.4425 451541.4628 411818.4955 396190.8324 381470.9623 504965.3287 393222.4914 419436.5773 395207.0974 556120.5423 301582.2576 311019.4175 409038.4105 372428.7153 773321.7765 341882.5903 289490.5168 497977.2417 513273.7164 303361.5368 393639.0325 474872.5325 449251.0081 362368.6782 390539.6613 515612.6627 401068.0513 389053.6076 378473.6192 467706.8519 287167.3928 369758.1547 396576.7784 355477.9287 3-Methyleneoxindole 0 68497.94552 71464.06484 78541.35169 6542.122596 79710.53946 79824.8604 89924.3628 8020.888728 61128.41626 60423.55161 85066.26313 8396.517412 59487.00617 92266.51478 96642.31556 8925.134069 108573.7881 122572.8601 142591.4139 0 53065.85582 72846.09683 80974.19464 4992.957803 54146.38652 82287.85474 88165.26815 7484.585851 77278.08092 89901.38056 83018.33986 5254.947098 60102.6482 80276.41765 74034.32474 0 55415.72564 79215.52033 77230.90531 6121.213644 106904.1892 123014.105 123404.7465 0 60008.26436 68051.73107 74112.34858 0 70054.36041 99740.28964 67495.63102 8214.812352 75929.79603 83983.22319 81302.67921 0 58545.87868 87682.83814 89579.71732 6996.632708 103177.0062 117352.0497 160753.569 6300.03226 61280.44389 67344.8799 100411.1627 5337.700181 60668.43637 92200.39324 73185.44658 7665.634812 73369.21912 88407.90693 70407.24386 0 61694.80538 84565.77115 97054.66502 8548.756288 96421.00502 121949.0281 118817.8724 2-Methylbutyroylcarnitine 243333.9134 151737.7659 124737.0811 117443.8237 236365.0791 158209.8767 139253.7097 133389.6266 248129.2712 149329.9538 160941.4597 119125.4036 254291.0153 148704.0792 196997.6402 128913.9642 390442.8935 294325.3769 333292.7204 386483.1193 237503.2378 149254.3941 164405.5238 124408.0716 224673.4411 137229.4367 141818.0568 55383.91429 264506.9203 118357.055 198566.401 144743.6601 213797.6306 148092.0785 200965.0392 110966.3587 196671.5942 143284.2474 173885.6198 121877.7084 378851.0519 274786.9338 301287.9555 375730.2922 206476.8935 151427.656 145048.6881 134074.1486 202521.9258 138706.8561 179097.1552 121745.311 245749.0853 161242.6504 182723.139 137304.118 215405.9495 144757.2825 201504.8367 125453.0692 387566.8354 283688.8768 324790.3899 353015.9668 248601.672 196471.6828 164036.2085 136225.5054 243502.5071 140363.2426 182588.9933 122462.1536 263150.5298 168144.8254 197393.7364 134716.5496 203195.2029 150954.6702 189742.6682 114919.5879 361919.5971 296301.5748 315766.394 324836.6131 Nicotinamide D-ribonucleotide 1020457.478 1200735.282 755649.5073 893801.5342 1304050.413 1364100.028 779322.282 1038054.845 1634104.998 1265190.444 738610.3554 1015732.029 2003293.405 1223874.399 1366779.384 1143489.793 1190948.224 737524.7258 934978.8236 929862.8536 910690.0292 913982.2304 1035561.003 1086649.691 1420037.67 1181327.83 1024071.268 969242.1905 1586624.087 1036803.421 1010112.137 1098339.04 1788148.715 1093977.284 1279324.945 1212305.834 973643.1969 1083087.446 1449323.258 1201046.131 1041173.489 625970.8503 968553.374 1123908.905 865895.0894 1181009.307 835361.6557 930588.0972 1074974.275 1103265.405 1145828.669 996230.2947 1978329.899 1249107.147 1353818.683 1110260.218 1286475.052 1252777.314 1506113.044 1114796.106 1326025.116 660051.6659 996989.7436 1010877.288 1377912.593 1103493.553 806004.7797 973999.144 1604496.735 1084517.627 1183445.912 977502.9486 2038893.771 1301174.915 1263102.313 1203652.468 1181917.352 1364756.151 1432544.168 1217416.633 991787.3647 593149.2703 945022.1712 784908.6895 Leu-Asp 387232.6035 388188.3751 346943.4312 548734.006 644193.7523 495517.7089 420416.4155 564489.9234 702230.2018 488145.5863 344740.0563 485657.7991 757002.0005 479560.0065 531528.5019 499000.0728 469297.4061 355458.5075 390359.7 188325.7526 311816.1109 314158.5537 515540.2572 543031.611 634169.7045 460148.2117 615111.1519 612884.686 783756.4932 472945.8727 541260.9098 506925.1486 663849.6077 415957.8081 564490.729 497138.9033 339890.5701 365939.9346 506561.1097 504382.823 370417.4591 280293.1786 383210.2421 207493.7726 332342.3705 391530.008 359555.4032 552796.3408 432709.7167 421957.5251 643065.2793 512403.4168 731998.9686 528594.2326 526675.9015 500100.4021 493763.8082 418289.1408 509528.7899 453750.2089 551657.8092 279352.4344 377288.0574 167559.7664 568062.9096 343768.9978 388629.8048 663724.4693 621738.1041 399269.836 572415.1153 506082.4021 790545.2817 442796.0078 532038.0574 520106.4149 390944.9813 503058.5567 536181.9544 466625.6949 390975.9989 219674.1528 388617.701 146344.4154 N-Acetyl-beta-D-glucosaminylamine 100613.8385 83144.29539 77347.95288 90834.59368 143572.2071 118295.11 83240.14976 83372.92326 167387.0744 90194.50189 59177.10625 76382.28717 184092.3909 100437.2444 123799.9151 93123.11535 52444.29903 51904.23205 55166.55252 21854.5512 79259.67224 56726.37399 102173.5348 88767.93549 154549.8248 78541.62219 93123.05925 78600.36592 163548.5005 70388.4276 128009.4792 76917.26561 218875.8139 87725.49221 139735.1876 82628.87592 95604.56228 81067.39517 132547.5164 93043.95281 58291.46726 40566.33235 55375.90414 21348.2739 83728.13433 76741.76121 74587.57849 80186.99474 123307.8012 73929.80641 117462.7791 89033.03956 167663.2047 97976.70794 115793.953 76965.18121 158117.1194 94703.74222 132806.6164 85073.12042 75389.04449 42032.1601 49691.76131 24497.91921 137264.0237 76214.52416 0 117011.496 141616.3974 68479.99541 125996.2765 82253.70663 207544.2427 105202.4478 136539.8063 83893.3057 131282.054 106765.9873 111340.3967 83098.01198 51770.24784 29847.63098 48596.17077 14656.84497 Creatine 251524706 421492.4347 156871274.3 189944954.8 380914657.4 191195376.5 187935899 167235060.4 338396029 196558287.6 153163437 161852229.6 375806144.9 203826542.9 229818963.6 157218321.3 350539604.7 430356800 448828212.4 508451537.7 260898005.2 151842904.9 193801635.4 196333756.9 415833367.4 199244772.5 217871556.5 177858092.4 359325566.7 177931107.6 240951831.6 163337022.1 330216427.1 169127556.1 257054388.4 192137804.8 166740665.9 143787334.3 213354471.9 156063668.1 351212662.4 336891826.4 385505820.5 486720660.1 223917286.3 182191150.7 176901842.7 177159432.8 246902471.5 203159946.9 276184606.8 179614243.9 412420739.9 258717243.3 220915129.8 164634938.7 228892594.3 191071344.2 231109402.7 166368096.5 410152100.8 351970657.1 427933480.1 509187429.2 361984145.7 180283840.7 158592983.8 183810007.2 320302323.7 152759163.3 241015688.9 158096023.7 462828862.8 209798264.6 231965394 157322197.5 206427774.3 198974030.2 226923137.9 163108505 292620930.2 299420917.3 464770061.3 413293462.7 IDP 171772.1393 146739.36 153414.2629 26729.05857 517938.4277 177404.9947 157040.8404 36087.44405 595941.6233 167508.7837 157688.9605 51410.19931 541366.049 153334.203 247676.2163 58633.78478 411688.9109 160618.6832 236700.5286 27728.79811 152554.2804 129248.4069 247919.7283 20673.46699 595612.0118 159395.6253 260777.3856 52227.63514 543917.7597 162722.9996 219960.2612 49815.69638 461856.1512 131138.0716 240549.7812 74568.20284 174772.2718 105183.9479 196200.6583 69095.07179 362657.1638 135772.0181 241915.7735 38776.98362 205839.2879 138417.6547 149868.2068 36183.14334 339069.6317 146769.3016 287530.8897 40188.7109 504370.4701 164427.2561 249508.1857 61531.12308 239915.5297 111219.3919 258451.5294 57178.22717 519261.8386 147337.5937 227679.7621 28474.77156 306541.6734 129536.2779 225562.0687 31585.07715 553216.302 137864.6515 267672.4734 40069.53166 523723.9831 148459.51 266155.6873 65687.25956 188537.3801 133903.9487 236474.8019 79159.48538 393115.3554 125443.1702 245907.8407 23925.05299 Kievitone hydrate 1782815.427 1733809.046 1015682.674 2358552.44 2341576.234 2022897.311 1494686.222 2574061.75 2065902.337 1875268.38 1657545.733 2736876.201 2717149.316 1892888.772 2412558.691 2696326.964 843485.737 1038742.422 1492582.775 1266386.119 1634961.937 1859878.627 1574783.639 2650069.421 2215565.747 1904621.103 2123737.932 2617691.319 2708648.426 1726172.865 2343775.469 2637713.097 2537330.182 1965673.816 2713864.123 2508674.96 1609893.796 1907337.95 2765816.754 2452126.321 900346.3865 801014.0192 1357655.123 1312069.721 1733856.857 1566793.159 1394642.335 2593319.728 1630069.34 1900692.21 1992463.703 2786954.334 2836706.639 2200588.43 2394569.827 2759742.455 2362821.916 2275072.696 2809616.558 3090553.812 933319.1011 1135559.998 1355092.053 1209230.34 2653718.425 1791700.39 954263.6401 2870372.732 2364650.083 1607612.152 2044553.425 2770735.346 2893473.289 2227211.849 2502309.774 2693495.1 2219132.564 2068765.931 2503802.918 2680604.829 599774.5177 756639.1499 1673050.866 999568.0092 Sulfacetamide 34572.42187 27992.54907 22151.1175 39940.58828 36671.16869 29341.72266 26885.37207 52498.89478 46357.56807 33410.50392 27544.62894 73366.46583 55618.96047 35099.73508 40872.00045 101674.3766 105706.2308 61807.32341 37436.27237 101989.3741 27935.04402 27449.13878 27405.38115 38135.2718 37007.28101 31130.76154 26911.84411 43059.55924 49787.76983 33201.40098 22189.92243 72341.52337 47048.26088 32986.0869 37774.42149 80932.78206 20958.87815 33791.39039 40428.31488 83469.18101 96087.52378 54885.00766 27220.80196 85228.95911 33983.30627 25608.62427 24636.18752 29337.68581 27659.51435 40294.12773 37985.90132 77254.66253 52190.89596 39821.01999 35533.96962 84915.28544 43845.29979 39584.63187 41102.45228 75763.81451 103888.3006 60492.62028 31132.76762 103058.4332 34438.02684 25398.72298 28084.11161 46753.69483 56042.21767 33658.24344 40200.54482 59781.66101 65856.61649 42664.06762 39854.89406 80825.58209 35102.53718 35463.72483 40587.2147 91489.12072 107869.076 60994.90656 27090.25955 88767.43732 Indoleacrylicacid 114988.2295 1209622.107 1219195.187 1304210.32 126793.0617 1122296.284 1495929.937 1453564.732 113266.2955 1109799.929 1220870.362 1142019.972 131012.2613 1218556.429 1393369.262 1385491.018 111635.3807 2323411.872 2324527.75 2361178.22 106188.7446 934713.021 1241139.396 1493692.939 107562.7342 968426.0144 1329396.102 1262829.857 128188.7509 1053006.896 1902575.885 1191630.697 111799.4945 1048326.797 1717935.65 1095048.774 72803.35915 980249.4768 1375013.95 1230362.972 137209.7849 1938721.091 1965609.928 2223488.232 84689.13303 1010781.37 1291057.461 1243610.646 86623.12112 1154238.575 1700698.011 1249623.596 140404.0688 1307241.58 1506802.623 1381173.71 90716.71549 1097533.227 1474117.641 1363480.941 135476.6553 2017912.19 2200109.75 2679717.216 104243.5087 1027257.108 1123894.76 1396507.507 118446.1152 1275970.622 1572921.135 1246587.263 127562.6548 1240267.012 1747409.592 1135815.681 94877.63004 1198836.458 1625787.549 1343468.213 126503.2373 1833589.201 2138262.965 2014621.348 N-(L-Arginino)succinate 611708.8468 691356.3713 524177.7511 948254.2493 1015971.858 641603.6931 440330.3646 859482.6012 1170520.112 502464.7537 339517.1018 808937.538 1412992.747 494413.2097 565230.3303 877886.167 430086.5762 547128.1101 596223.7862 608448.7594 480840.3422 485698.4399 877879.6813 993597.229 1118044.475 528245.1531 672705.9822 778475.4333 1207813.669 485095.6468 590433.9078 727715.0401 1219042.135 525627.8319 629675.0383 929592.7209 559497.0952 522619.7929 655115.6465 887613.3972 388702.6903 512083.3997 545343.2968 850522.9029 582984.9823 657165.5706 546321.1452 981821.9205 678781.8826 513543.6124 657875.7336 756227.7911 1402343.668 563176.5873 532124.6457 857003.4045 816636.3401 493804.8882 529793.001 942345.2341 582050.8672 509911.2111 608333.3199 717303.9993 1101795.433 538196.5609 462833.7673 1013145.953 1189706.261 405298.1158 621423.4887 791918.9668 1302945.503 558522.2612 551332.3172 875575.0909 679132.7659 558835.7053 516383.7834 935536.687 359375.1088 405788.3903 536038.8492 548327.5235 xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole 594186.1206 781412.7325 547945.4452 995073.2934 843157.2072 738509.4593 550034.6803 1123930.291 749794.6386 649123.3633 632402.665 1143176.006 934186.8899 761113.3521 871093.3401 1173175.513 391607.2302 298721.971 389139.4206 364356.5208 518324.6211 757999.5623 702406.9743 1165867.635 634896.5225 579521.1511 672860.5725 1032240.546 1011407.534 617350.7894 733814.5003 1389011.888 928644.5138 782290.1558 964414.0404 1105634.828 713122.2489 723683.4196 1065581.684 1208360.915 253141.3605 285799.4718 365648.8735 383045.6477 452234.9704 579872.6686 635868.4158 1311795.005 604225.399 568743.5619 711306.5501 1084184.382 792108.9326 754817.8725 898618.1728 1071482.229 772854.8112 813967.0579 931857.8735 1178072.247 270117.9162 327722.208 435318.5064 336688.4041 640229.8884 792260.8049 562989.5531 1285473.881 697218.6008 598258.6478 770688.6274 1099871.828 996157.1352 888551.3079 795295.3854 1278083.756 766556.1719 909699.8553 946167.1515 1295488.59 228256.465 275762.1452 425051.3577 298308.339 Thr-Trp-Cys 46705.61279 44321.78591 44272.86817 216142.5515 52005.91962 43794.49676 54673.00311 188399.1165 61636.6731 44723.70801 35282.85375 206487.6853 75864.15095 53030.90089 63664.88846 206249.4985 31129.23911 51431.60129 64350.50888 170239.2339 29255.41221 30158.53772 56935.36675 186212.4888 66333.51255 35619.90266 66428.46392 208828.5446 63454.62731 40027.74689 73099.52832 202523.9286 68749.49806 41117.42598 62598.29177 211250.5368 26649.87858 41319.22616 58999.0037 184409.9292 32270.64151 48560.12138 60371.15356 163447.2139 30849.64406 30537.18138 40228.30213 189921.1212 48815.76631 48770.94198 62882.03595 188664.9816 73571.86646 56462.04833 59866.18798 230576.6756 44499.65697 44798.68689 74421.04918 194974.4986 48241.85917 42481.39715 46785.11754 145518.4964 70389.72196 35317.7335 0 172358.3087 65099.77904 36577.64227 58408.21642 207601.9191 72893.06974 45648.15318 69849.9958 220400.0321 37702.43451 53877.69089 66568.28435 204959.7945 33961.36537 35807.06857 50606.98494 131311.9275 PE(P-40:6) 1905277.487 1213257.009 1085591.083 1827405.053 993599.277 743286.6599 792952.8954 1648362.282 808373.3831 866155.2037 721486.8457 2155072.836 762932.1147 788459.5149 863556.0375 1803534.418 828420.2518 591404.4091 987498.057 1485932.962 1830228.807 1252801.203 755983.1483 1859689.057 933574.1812 1007286.454 872166.9157 1742797.173 709375.28 593240.137 667625.0322 1631817.243 703490.4908 1067423.624 958320.3265 1881020.218 887094.9457 1217677.274 575900.6904 1606897.994 600865.7709 774915.7202 899608.2503 1395043.255 1175346.501 1262796.27 1083326.443 1796057.379 1048727.325 683537.9636 672127.7909 1496143.165 509300.3811 758835.7959 710571.7094 1934946.179 1242608.504 1007073.471 1009633.681 1806080.848 876999.8564 865143.3 796877.4042 1588005.085 1150412.916 1237523.899 531764.2893 2105970.607 688387.6218 1213108.84 672923.3617 1750621.915 488379.4299 572701.4274 471835.1846 1847213.627 980367.4697 828850.5225 835163.2255 1782061.412 981866.9595 1148140.159 975405.6354 1726393.538 Pyridoxine phosphate 490753.926 772598.3958 639047.7345 1023076.303 672557.5519 708586.041 572305.0843 1079289.163 690952.3176 597587.4298 472079.6049 968634.2589 433435.3375 493271.3327 551515.3773 984416.9038 378245.0239 536089.2252 512396.6186 1150957.85 403513.1927 698527.0035 860818.3074 1030877.335 685047.3511 661591.081 670351.8736 1074799.579 725103.924 510919.4058 622984.7254 987203.0452 433117.5697 449894.5735 547016.4222 991750.8018 178453.3053 375051.0283 389556.8583 970204.8957 302713.77 439359.3396 519791.8288 1359715.004 453800.8184 730313.8762 674658.5673 1019759.548 537914.1444 512677.2606 719527.3165 935131.0437 455016.817 457502.1911 516784.3203 980033.2042 232394.6021 417257.329 405286.177 965396.9202 383138.6502 439379.1478 454057.5768 1251755.793 509924.673 753354.1653 870351.7726 1095765.743 671913.7393 485344.3974 693673.0154 948028.3861 479707.325 468430.2267 561777.4048 953635.9254 216366.0877 429172.3347 397672.8713 995669.4349 340179.0079 422224.8299 525833.8407 962908.671 Glu-Thr 1046167.291 1055301.876 855448.2651 1185363.233 1810507.806 1356924.323 931547.0948 1352246.869 1748485.094 1223014.965 630623.2237 1025628.271 1755618.22 997789.3198 987523.0611 961885.3192 875009.8408 672712.9208 704610.689 399759.8786 951704.3931 872492.0326 1100373.67 1371021.219 2139534.356 1219143.539 1178249.854 1319646.023 1679011.569 1024742.872 1050143.057 1140683.351 1796492.123 874275.3572 1084963.181 1032716.683 927216.0548 874291.8214 1048460.922 1131979.08 899680.9569 558514.0572 684108.197 358090.7971 1012436.26 901306.2529 848732.9781 1321146.65 1254603.619 1030554.226 1297700.94 1050823.979 1581979.095 1009203.665 933672.7307 1009336.249 1226202.867 1073179.486 1016988.673 901976.6504 1126399.14 545405.0843 700124.8343 422427.8366 1698515.982 1045712.943 749240.7696 1256479.384 1840416.079 897273.9357 1181516.941 1092417.833 1740369.155 1062252.397 862675.1268 1080483.995 1058810.231 937163.4815 915078.027 974846.7262 835913.8786 440557.2273 635743.9431 312483.1216 Quinoline 63811.58679 78507.26281 48079.69073 60112.59812 78480.73674 72843.56133 53303.85222 60667.7505 90318.73376 62023.17318 54368.83771 77894.91893 90528.45024 68723.03992 78075.72345 65303.44161 55899.27233 75810.89484 69246.89554 65549.85095 76648.36729 61546.88889 63761.73855 65136.71448 66175.4533 60736.93365 59647.1869 85062.29722 106005.4253 59465.67783 65475.06342 65841.50308 82968.35149 57805.0041 71711.86374 69093.74761 54832.26638 52134.41803 64404.12419 75967.87451 66852.52254 77514.13211 75421.94549 76623.5755 77404.05761 54535.34543 62268.48428 53406.29313 57757.35747 88622.37068 57690.51198 70820.61302 89426.65097 84180.85486 73726.16957 76886.13161 64365.91796 69781.80917 71974.76349 72410.52977 71842.45544 72609.03282 79015.7769 59640.6643 80252.11376 52094.84768 58209.13266 55567.5203 88001.43114 56440.12381 74022.18791 71187.89315 103193.4787 64593.56818 84768.31139 69426.4827 48558.92467 75142.01455 62360.21704 82722.87576 62276.86426 52732.32698 104356.5285 60998.26973 L-Phenylalanine 20387905.69 16948384.24 16216650.72 16929876.41 22390349.38 18403833.04 16326477.71 16046832.39 19606232.32 17441087.49 17555997.73 14143162.12 21654979.41 16446090.16 16465956.4 17125567.14 23402502.02 19126968.89 22663602.8 20248728.88 19567350.39 16936324.01 20063164.9 17971290.98 20836190.15 16793487.96 17467836.16 14914142.12 21390660.37 15714476.32 19964580.33 15498456.07 20321010.9 16743628.05 19518706.1 16904431.86 20819552.76 14295619.36 17682685.81 16634331.09 21230608.13 19780804.49 21324074.67 21564534.71 17618298.11 18103804.22 17847430.36 16737161.88 17086676.23 16405803.25 18149274.16 15781639.87 22869734.76 16861227.23 17843145.1 17899263.68 18885814.82 15795231.12 18593012.1 18670197.49 21144952.91 18173648.31 21787282.66 20353214.21 21785064.09 17334984.68 21282155.25 17155600.67 20248997.47 14678534.12 18520152.94 16088595.36 22774118.65 16297633.43 19154718.14 17059033.46 18570209.42 16133029.48 18502963.55 16690172.61 23057788.48 20169868.58 25127455.11 19971227.73 alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 686598.7352 2512456.727 1098537.018 387578.3254 1411924.98 2442256.636 1203128.618 397850.7587 1855454.883 1943377.788 927718.5237 438470.5473 2475169.487 2063488.745 1728001.963 501240.0245 5015202.489 1768163.462 1956111.111 647161.2861 549698.5298 1700157.12 1444272.751 696942.8954 1575528.518 2014902.136 1559980.512 545333.4646 1823608.563 1639386.656 1522048.294 436785.0353 2442272.53 1626679.933 1672587.008 592261.4346 1108934.823 1334968.675 1971393.66 626395.0575 4845499.183 1473065.499 1739779.196 605152.24 643279.919 2108230.378 1067267.195 493695.1954 1014243.849 1634649.053 1840627.49 507512.6888 2229912.77 1887450.683 1616052.696 671759.6054 1800210.337 1618792.414 2088364.73 471138.0434 6094486.432 1492928.497 1747111.997 567634.4065 1127916.192 2024030.211 1000374.358 603455.9123 1698629.722 1384295.324 1582975.189 563936.0146 2510065.754 1840177.046 1693868.859 617635.397 1533443.126 2059046.677 1888395.223 652121.9684 4551631.06 1381998.352 1986246.034 479280.9476 N-Carbamyl-L-glutamate 249037.2465 204211.0678 162072.01 512041.6603 347700.9026 244833.5396 148256.4017 501843.3859 378691.6968 215673.8118 127746.66 491726.0287 419024.5192 233700.8 233838.8418 596097.2424 293581.7426 277482.1711 262210.3299 563801.0101 214735.5874 203030.1519 208016.8813 526707.9264 359548.8019 226342.2394 222156.3969 502569.7095 427485.5456 176082.1493 213661.2399 524639.7911 421702.0548 175973.6942 217513.3375 544845.5424 194969.2244 152376.5626 228027.2097 548585.6375 259324.7505 222268.8737 255918.0598 584761.843 256670.7765 208004.0261 164826.7686 458523.4507 249505.7334 176557.9077 252809.9911 586895.9177 395260.1258 266333.1485 226770.8412 536631.2319 282488.002 194237.6884 212699.4427 529682.5144 304236.4834 221567.7572 250718.8099 518846.5469 389505.909 185669.2065 162011.4621 496920.8129 382092.2258 182368.3588 202074.6361 541621.3421 440556.6997 198164.7595 215553.1011 548303.0425 261246.188 209376.2491 236842.4338 548680.5341 238732.031 201594.7338 242218.289 413438.3928 Hypoxanthine 323547198.9 272503432.9 246890233.3 286982051.3 376269356.7 345583087 272833583 301603114.8 329912563.1 323905910.6 248529350.6 276056372.9 359297864.6 342918475.6 285292506.5 264838005.5 337593539.7 348499856.9 341287195.2 288842162 322045975.2 332886368.4 279176805.2 353193001.9 357955061.5 305508651.1 277579796.4 267713482.8 378089303.9 320109702.9 326145514.9 242221379.4 314794231.3 317959805.5 311950749.3 297444101.6 357433029.6 254329042.1 304673506.6 282222920.7 316486017.1 344618703.2 326969144.9 328783222.8 338479618.9 311339308.2 253166192.7 300485888.8 274241153.5 310265190.9 312132444.5 267677538.2 381800174.5 335440287.8 289738689.5 315869359.1 303739602.4 307412562.7 327549792.6 314250848.9 341168566.5 327432397.8 364568076.4 312796765.8 397192330.1 322430715.1 282397829.3 325752179.4 343312548.1 296984295.1 278225128.6 255743567.8 422947917.7 338558572.9 307529878.5 297585361.5 327465746.4 328934545.5 311582924 304405989 317623351.4 334600920.6 410297955.8 278071608.3 Maleamate 912493.5446 929770.6355 436039.3029 948893.7005 335473.0485 711587.2077 486960.2815 1113956 1261624.406 775586.993 429646.4243 350958.1246 1341966.964 859008.8131 755225.5638 447022.953 814913.2737 1225295.003 1500834.326 557879.9784 851015.0883 738528.1188 586750.5658 1001797.994 1182906.132 825042.8346 739066.2123 940670.6663 1095322.602 656602.1111 814962.3979 1001849.666 1182551.292 823277.162 926575.8523 1041270.857 719303.4567 662787.094 923903.3149 499114.9149 361007.3768 1139040.634 1554095.74 636082.8254 777907.6922 792263.4799 471971.3155 963655.4926 807636.6729 803770.9316 777276.5862 1012639.494 1401984.714 738802.8291 808392.1323 420710.288 313983.9058 699167.9975 1131478.837 557649.2803 294025.2801 1090968.9 1496430.214 600240.0325 1163195.068 778037.9556 550102.0186 944989.3296 1167998.3 683125.4837 758348.0428 985281.8542 1455016.139 818833.3411 851940.5218 1125452.674 857596.4685 940148.7077 939152.499 505930.3402 297964.6479 939131.6549 1454930.06 432358.4873 Leu-Lys-Pro 2023580.388 1871766.678 1382924.367 2616965.583 3256358.578 2034536.457 1526838.59 2531924.556 3668486.546 1957249.682 1240202.55 2409537.441 3675680.761 1949558.893 2130545.287 2930185.941 1795504.436 1830748.971 2063363.501 2114794.739 1764251.93 1521538.471 2100371.753 2711878.456 3227149.422 1771157.467 2012397.151 2662911.507 3579681.98 1617131.444 2211561.326 2789393.099 3466307.69 1657243.608 2364670.767 2785360.558 1546433.772 1490550.83 2262064.223 2774713.194 1684624.881 1634755.997 2101989.929 2654962.49 1871580.526 1715243.633 1609195.18 2484617.489 2003122.742 1571787.838 2273730.107 2410002.672 3721443.859 1963550.576 2330126.547 2780115.789 2493148.18 1649867.832 2414487.031 2551077.993 2329120.125 1755504.262 2269561.704 2147876.838 3311741.787 1706430.323 1395634.757 2601593.23 3448393.225 1429293.671 2236656.883 2408251.155 4008477.871 1921804.553 2170781.362 2646328.531 1963361.09 1798252.782 2339336.882 2682038.667 1691776.68 1460710.384 2042454.878 1593072.591 Val-Ala 631330.8903 621038.3697 570498.2558 1292219.787 1055677.914 803568.6067 650325.4664 1461048.139 1073640.581 795458.8744 603132.1027 1256728.108 1135058.248 885505.9907 930110.3656 1441257.667 278871.2161 490929.2663 573748.2135 528937.6495 641520.8693 513604.6473 767949.759 1451470.923 1093495.502 688242.0854 829891.9732 1532778.84 1156982.236 807400.3877 862320.5661 1534945.628 1027784.341 832858.2381 927069.1571 1351249.872 588849.2676 619394.3829 830813.3136 1220657.353 276478.0608 462222.2986 491114.7637 614344.3128 617732.3561 583862.4962 636117.9948 1358152.906 745198.5407 842265.4382 1005460.582 1194971.712 1053130.234 890682.5637 889910.9304 1502053.563 821832.6589 777803.0377 906088.5782 1371911.182 332439.3844 554158.0539 509450.8478 578739.1381 992194.8301 506205.9301 517856.6438 1533227.56 1185243.543 679219.9909 990803.9749 1382434.294 1199093.03 804138.177 956471.7398 1309358.769 686589.8138 820897.4431 971580.5791 1316712.136 293137.3865 409868.0491 501571.0204 424921.4154 L-Glutamine 130748525.6 126282078.6 101271329 163104906.9 206251351.1 188128071 126258094.3 158534970.6 197947537.8 163337168.6 104758011.1 175465968.5 195186137.3 159212149.4 177867550.4 175934788.1 98788434.04 99687168.37 110207323.4 135487818.3 137582932.4 131986525 151967802.2 170363683.3 195895804.8 157498248.7 142283465.5 163962928.9 198895614 147167318 153176521.5 175401688.5 152407581.7 126845667.1 178631015.7 182900410.3 115152393.6 126333380.4 152751839.8 157932694 82081161.55 88859082.66 100348586.7 122249651 133656054.6 122229506.2 135231630.9 162477711.9 141819412.7 147057200.1 184999847.7 158688312.5 180852714.2 152553960.7 165686347.3 181864176.5 142731503.7 148611045.5 175504132.9 159898226 87729059.95 106588063.9 108502403.7 124975876.7 184842968 131745883.6 124828026 166450173.2 195126702.9 161293194.7 155603111.4 179485485.8 215147203.8 170179708.2 192425838.2 197126608.9 124354080.9 151471221.2 171937916 165005115.5 87045466.57 90686230.82 125637275.5 117885719.2 CDP-ribitol 54103.32697 37484.40149 28227.58339 57834.74664 95418.62083 49276.98984 33542.99788 71214.38155 126072.6396 42600.49063 26268.34222 74415.68094 103158.5744 45310.65962 57293.31454 72315.61708 49541.90252 51389.56475 60447.86285 57575.28549 42748.74088 27896.64419 54302.19975 61888.05709 102347.5371 36825.65968 52069.44108 71782.55922 98803.30197 40801.96352 52858.79124 68501.16024 95722.37277 38369.25514 54563.58577 65089.33711 36765.66189 35522.96157 50928.1457 76707.36631 50854.55763 39075.83593 64289.9488 71427.56195 56923.16576 37287.04641 30882.26757 53130.32266 51234.36197 41366.70095 53406.94489 61819.29504 93127.39599 47296.05255 55681.28673 69308.43018 49949.10797 37555.63996 54831.51693 58880.20024 60274.04092 50920.9738 47184.04019 62122.94186 90776.18047 35588.19538 34531.76772 59918.3247 99271.10561 30636.09621 55576.59921 58570.00683 101683.898 41080.2293 54777.14301 60360.24687 46219.89241 44765.89028 49546.16473 56582.89678 31674.34557 27191.17121 52757.7305 40121.25061 5-Nitro-2-(3-phenylpropylamino)benzoic acid 239473.1096 310099.2486 398942.5561 270526.8922 656424.5967 281770.2242 313422.7259 285473.994 786560.8016 463272.1674 436768.0726 505703.6988 630732.1676 604996.2716 627052.3469 493578.5558 282979.1644 601120.0583 508515.5322 226540.7967 310099.1905 266972.1847 383567.8534 322663.2325 500279.9863 218593.545 373635.1099 286651.6354 728693.8374 519703.1433 759365.2907 533659.0572 499797.1341 496553.2195 577581.9862 445806.2693 425030.7089 454730.7173 437789.6267 287181.3298 212441.535 333197.655 492994.2614 346525.9136 289409.3769 230880.3123 354476.9935 317332.613 369074.7429 552299.985 645406.6562 490165.5822 753130.6873 725192.5179 662702.534 463545.1942 305693.3486 515483.8429 592082.7953 312198.9468 370794.9793 468548.5722 446328.4894 345335.5743 218491.6086 216931.6958 372924.591 257914.1604 584940.3259 423251.5045 713403.6379 470948.6414 572181.0368 586536.9139 670844.7982 475925.5026 358998.5993 615994.8606 526452.0793 316380.1507 427201.1216 303154.4196 582081.8905 317639.8633 Norepinephrinesulfate 20031.55449 46589.52802 79029.26689 8111.167542 48761.34766 50481.93368 83485.89728 0 40473.06201 45578.71566 54554.93558 0 39738.50314 40427.26638 98325.14882 0 41381.99156 288752.545 468021.6732 317114.473 14950.47065 32994.63056 118706.0496 0 54485.23549 47726.36861 125916.1427 9448.066155 49445.229 37692.50179 108903.2023 0 33916.1407 41609.3229 121998.8705 0 5990.11506 24637.46527 86494.50347 0 34010.67643 226270.6957 529001.4249 344411.0089 20875.31011 45804.8543 87438.41014 8953.912291 22337.88405 42109.66721 117718.4965 0 39086.1649 43925.96076 101059.4383 0 15581.37177 32970.6608 99658.21903 0 56289.16981 238694.6954 503622.6412 342567.7381 37144.67751 38190.33909 95605.25433 8043.940064 47931.99083 32041.11782 115606.9807 0 46461.02636 43468.78789 110574.8047 0 17558.21817 39787.9089 106157.9987 0 35033.82889 180564.8363 507031.6293 236066.3261 Choline 8542410.044 9099106.186 4971838.452 9550170.123 13564278.05 10115463.36 7401336.561 10440107.82 14798934.97 9689493.052 7441431.136 9000194.074 17090925.45 9272795.513 11534974.8 11978538.76 11551873.34 11427553.45 13242654.19 13176562.54 8405710.278 7684181.902 7103322.553 10595790.06 12644183.76 9211292.666 7177692.677 9633980.005 15104808.42 8397683.115 10412561.29 11415030.52 14787164.18 8246036.4 11850642.99 11454369.13 9488557.229 8034397.397 11290353.38 12335571.37 12233250.04 9890402.244 12125454.22 14275114.52 7999629.916 8538591.225 6362944.642 8812537.587 9824838.833 8173461.282 11135061.92 9852625.999 17989582.16 10616328.26 11470593.28 11486158.51 12358459.47 9171424.524 13032485.12 12385180.51 14771474.2 10198714.03 12412674.98 13783053.83 12872992.42 8577861.225 4854667.83 9628133.605 14726543.62 7467801.524 10232595.92 10136745.05 17946425.29 9634512.58 11686135.38 10993599.34 10943159.12 9859073.57 12917163.23 12327968.4 11575195.02 9068623.082 12827302.26 10609714.73 Biotin 54587.8557 51138.69018 46390.57866 31545.97213 55249.30849 52618.87111 63159.84636 45081.89826 50769.59629 41362.38394 45831.73994 38092.49124 66134.41636 51663.44718 71950.4372 45853.73526 47042.25779 53174.01192 69712.20764 66872.32279 45073.42666 66516.4909 55017.80708 48000.90917 51589.77932 43877.70158 50023.11385 35547.93881 65184.13081 44325.36905 64739.52838 55994.52755 60071.81263 53100.80702 78719.10101 51972.31275 52048.38169 60907.059 74710.76791 59489.78961 55475.23622 56119.20116 70459.77321 69445.42456 35666.90674 52017.82119 64661.13084 44688.14959 42002.58766 47696.97748 71099.55548 34469.9679 62131.76981 67001.05414 80557.41236 51316.50325 57063.79952 53285.56515 68510.07052 44066.57625 44740.08076 52088.32038 74814.34004 59704.94877 52792.91896 58880.32046 55669.95827 45694.35803 57264.75808 41467.90899 61270.00024 45790.41356 61343.30124 51754.07477 70495.54083 49851.14185 56554.73339 50132.13571 70976.62087 51109.37512 47662.20388 61125.64058 70603.26861 52945.89498 Thr-Thr-Asp 463635.4145 400847.3572 306648.3224 428726.248 572386.9263 436414.0547 307426.056 498703.9524 615556.398 396034.4104 263579.0129 494695.62 684577.4438 388592.953 419273.3851 432318.5948 460489.1339 397932.5354 445514.466 435019.6062 388097.8849 328569.6864 468095.141 413285.058 541437.8618 435532.0538 441558.4335 416816.6056 675024.0959 341708.4295 416749.7232 440401.1 780836.4881 332787.5619 447667.9781 485738.5152 384286.8845 300863.2052 407623.0322 447503.1939 426268.5841 394153.8991 432353.2969 427191.4394 465341.3461 351976.3309 311976.6698 376547.5417 416880.5932 359142.1325 436844.0421 441652.0801 742429.7566 368400.335 416236.047 426226.9045 531363.7139 339241.5192 434501.5062 399964.6742 553590.6135 373832.7604 404069.7599 434977.0661 620757.6307 356424.62 251923.9956 431431.1263 642449.8947 313164.4454 421353.7754 427422.3649 829718.7992 411286.4526 418460.4363 430976.1341 453709.2321 396896.9488 401451.687 416411.4793 424448.8006 339418.8954 419325.0325 333659.9691 N6,N6,N6-Trimethyl-L-lysine 2079933.556 1529074.503 1125798.2 4663582.728 3399337.914 1874852.788 1432868.645 4730773.906 3756740.984 1608129.288 1213633.028 3924209.409 3584183.617 1790925.2 1998500.424 4985925.452 1548534.098 1732069.008 2007354.406 4539916.136 1581084.078 1295767.489 1770657.01 4813341.758 3192848.512 1584274.054 1781065.356 4568302.704 3434045.357 1411551.485 2066787.355 4694480.025 3287531.556 1475752.299 2471678.37 4112313.888 1489743.328 1281701.701 2020774.428 4647104.106 1597829.676 1535972.997 1857120.98 5504959.492 1736527.483 1367196.556 1354766.498 4428295.29 1888914.33 1542255.692 2207175.316 4338601.679 3793895.944 1797933.179 2122095.868 4696716.539 2390878.447 1607976.608 2346763.07 4953990.87 2029342.429 1584143.725 2053930.754 5229464.163 3090049.053 1388854.848 1010408.178 4688495.464 3160464.676 1307229.819 2107938.86 4554217.752 3916677.183 1723242.877 2114851.343 4858019.425 1808997.054 1852905.772 2488872.248 4669753.825 1434622.263 1263839.959 1999739.302 3679497.263 Asp-Leu-Lys-Asp 103224.5153 94917.86644 110941.4378 212658.41 171194.4571 146496.7475 92915.65132 186834.6863 167380.1816 104779.5681 87690.16545 169616.7405 181369.0253 134747.4011 121147.5313 186633.0621 110286.0024 136073.2001 115094.0725 176365.8586 86164.50419 81142.27509 158467.9342 252152.4211 150350.865 105755.4265 122936.11 173956.1424 168620.1041 110991.0631 127835.3001 183897.6063 175279.6761 73931.42228 150261.5648 219777.0994 74735.11972 86278.69904 135935.8028 166550.583 112173.9824 127165.2794 125608.6387 194176.7351 137543.6341 86011.00627 84314.10251 240753.9953 121456.1394 90884.05916 143121.3292 178913.2252 153474.9534 106571.745 151250.9509 189399.8143 118649.9004 84758.49199 126363.5866 179606.3468 136727.5793 130216.215 127566.7372 171680.1764 161013.7834 88020.32588 28604.62273 256170.1034 158084.3978 82193.39724 132289.4287 192811.8762 206873.6787 106455.8279 152328.308 197801.1367 113233.5359 104078.1154 126802.4675 222727.4789 108095.8775 122941.2123 126891.8637 127186.8158 L-Proline 47978060.66 41207836.19 37132820.62 45628081.54 62061217.36 50917271.4 43537273.89 50073850.46 64003037.24 43372016.52 34028291.9 46059816.73 68557916.87 46189019.16 49485922.43 51095954.42 45211642.19 55759977.1 51459709.89 57470656.97 43007405.55 36325494.94 52334979.08 47681055.25 64111354.29 42790186.85 50307368.14 47058286.95 72146569.4 40491798.78 59635578.31 52434896.3 70760662.95 42789271.69 60647408.25 58287959.04 45323982.11 44216683.14 60270562.89 52893434.81 45460335.63 50147430.13 57700437.34 65149192.88 47907884.52 35631054.16 36481091.12 48058166.58 45535992.15 41312022.68 57341185.02 50919766.22 66121283.35 45944613.89 60156889.19 55995022.75 60921983.28 44922996.05 51956173.99 45289092.92 60285610.43 52833939.59 64407026.83 66915655.15 62164450.56 41257263.54 38164634.18 50649868.64 68938632.31 40963351.05 50909278.85 63703397.8 71890651.03 47182098.99 58430676.91 55631403.57 40953943.98 50012391.38 61269247.23 54337891.5 45652569.17 45264937.63 56668561.35 51314960.14 N-Formyl-L-methionine 15095.99351 26935.8302 12210.08308 11572.82906 18388.57888 8440.202317 19419.65505 0 6797.846061 9201.073031 0 0 14318.03033 8114.828862 13059.44902 0 44574.11073 67414.66963 64018.10242 101382.5287 9760.181397 27587.53574 13396.78984 16250.08073 9924.949467 9243.013546 9877.390177 0 8132.174369 6636.559278 0 0 8999.828408 0 11076.042 0 19022.20382 0 18566.34501 0 48799.051 81128.75903 44736.6347 94369.05435 12232.80734 26945.07033 13208.65404 10421.30155 0 6800.594854 9315.009135 0 14055.10022 8851.192056 0 0 22236.98625 0 26842.80935 0 56084.51553 84701.54815 42890.67128 96123.10893 24887.29323 27602.74666 7616.216219 10092.00906 8257.099481 10547.20283 7770.271815 0 9173.486488 0 10154.79447 0 22224.17921 9436.790296 23090.17933 0 44995.94453 77518.04408 39002.35013 92492.45269 Lys-Thr-Ser 207832.8147 302629.1166 326365.122 573601.633 340734.258 358662.3653 323542.8745 542052.8146 322481.0175 324361.9512 237132.7175 525969.8291 394273.3875 361433.1208 475841.4849 606070.6627 178430.8673 388068.6978 375795.8911 363576.2795 171272.1199 243352.5098 421472.0809 616209.1431 347475.3316 306294.3041 439034.1327 518299.6135 350777.6876 338343.8739 417508.3987 526291.3743 381648.2593 285869.173 449098.4422 592929.7601 170612.2189 279824.4897 479746.676 545361.8598 192345.0182 318613.6822 365231.7736 397494.93 190587.9061 263180.4503 360235.4925 553342.562 209918.0271 310953.3793 433296.8509 508337.8462 346425.3178 401887.2396 430767.6689 562034.6064 246600.4119 351646.2158 498397.0927 565095.6968 211834.5857 335015.6545 362724.485 358979.8157 319289.2367 280759.9219 277361.447 561920.5947 342391.7364 293509.9309 416933.8331 589696.3667 390306.053 350559.5626 453796.5529 607748.2063 220230.9478 372359.0871 488845.6242 515769.4814 163169.4473 310649.2994 390882.3842 282387.1358 SM(d40:2) 1450126.357 1404925.234 1263756.227 1674956.419 959775.043 1121704.294 1175446.259 1594357.199 1189592.711 1287918.88 1624046.288 1478741.908 997841.3013 1164087.722 1325980.575 1534702.201 2231050.891 1200422.345 1407752.688 1822006.68 1697021.139 1803159.024 1332833.503 1362436.161 1061834.177 1210214.408 1084179.442 1693261.61 948818.2163 1320765.982 1012528.002 1688288.234 990408.1961 1673691.052 1492968.947 1634469.772 2329640.474 1453535.357 822609.6992 1763070.533 1552654.75 1385983.695 1241317.766 1367224.815 1205659.195 1732439.941 1226427.257 1627354.128 1589412.768 1174853.36 1008388.358 1541596.794 988643.2642 919718.222 1014118.55 1636978.117 1486214.845 1166033.896 1367873.89 1623745.112 1273927.926 1497908.517 1279933.957 1285925.804 1213528.056 1485966.299 1631261.597 1565461.453 1042246.388 1627962.19 889350.0063 1584038.576 834969.4404 944309.8676 819317.2032 1622267.289 1438587.076 1312384.864 1289275.918 1601157.722 2187702.136 1807243.483 1287594.497 1953833.923 Lys-Asp 264729.9436 191737.8048 164546.311 662523.1636 461035.4975 225549.0385 172614.4633 657657.4335 450961.9009 203367.6942 139803.6862 588265.873 497948.9684 197514.9184 233145.2574 652606.5839 229495.2667 233317.539 268581.552 483157.9814 213501.7519 159243.75 249535.8536 659815.1042 416512.4358 193965.4531 256801.3686 624810.4995 520040.4937 188813.8111 270847.1771 648507.605 436949.22 187781.3478 248407.2313 609490.3877 192170.8629 159831.0632 225592.5976 592278.6752 234923.2149 206073.1952 259380.1384 511551.3391 241266.7264 163630.8237 168641.878 630556.73 246053.8778 195051.6124 258587.2909 543499.4598 504863.4492 251889.7566 228748.6688 621422.3532 323423.9575 194419.2857 237554.6454 628760.6659 319934.666 187993.224 232654.6516 519039.5008 445475.4726 162660.7521 154362.2122 681711.2996 436767.9992 168748.578 244793.2135 592159.1191 530226.217 213420.7457 244478.4828 674266.8272 250130.3062 242404.5377 262647.4675 622102.0614 205963.1169 173245.9908 260074.2671 362788.2085 Decanoyl-CoA 858373.6966 1213089.879 911964.2857 1539443.469 1403311.663 1315966.976 986227.0084 1589440.802 1618608.887 1409647.636 808279.761 1449557.928 1608598.51 1035308.931 1202884.453 1489777.066 1360911.135 1436779.811 1538346.255 1528872.83 904909.3167 1004614.997 1269920.754 1645523.079 1361142.598 1312964.107 1265594.513 1872825.449 1448644.125 997516.8141 1175094.868 1422627.644 1410431.925 1080997.062 1305664.197 1610873.425 887239.6923 954653.1496 869685.5436 1392049.487 1096250.245 1311699.144 1395170.338 1579918.232 922117.205 1229050.836 1016824.028 1384717.4 1060738.725 1151210.515 1193770.371 1423296.401 1183727.065 1235043.746 1323773.695 1789569.101 1066392.756 1102469.874 1227415.847 1372357.141 1335100.2 1468802.691 1501215.712 1492244.283 1114669.044 1191949.069 1292858.573 1455201.233 1311554.603 1193017.809 1281653.04 1414090.233 1711132.486 1134532.288 1188858.779 1646000.077 1039523.95 1155289.49 1369885.453 1385327.83 1184245.239 1373982.686 1382286.784 1286161.715 Creatinine 245324.0888 483061.8022 699864.7253 153103.6824 227018.676 223975.7983 314044.0618 101468.3323 209774.6823 125392.5083 132504.3105 119730.7541 183176.5455 119373.1226 146474.2992 116076.4346 246331.1574 326585.5224 310350.683 386372.6632 268898.0388 497484.9169 802448.2643 129719.6171 216435.8695 221567.3474 293443.3111 110910.804 241094.8337 125094.5977 178999.7273 124155.1474 151900.9031 125651.4019 179540.3047 210550.299 119621.35 96968.70039 200090.5119 147719.4746 271545.7673 318406.8675 296089.951 413845.3937 232923.8818 501298.9512 744478.8254 107674.3268 138465.445 156174.1621 175924.6215 102576.2928 230769.7828 171220.1449 152980.5677 147724.053 163458.3727 148779.3741 235093.7592 128909.8574 349663.6872 270195.9494 308042.3116 408105.6457 359402.5331 534517.2826 705237.9312 111234.732 294997.2896 146644.8498 207835.651 104625.5364 203460.6931 167581.9774 176695.6575 114008.697 172006.6036 128772.931 195641.5515 115012.8996 280367.3998 293505.2043 328191.4154 352894.2377 N-Ethylmaleimide 260248.4478 116750.5165 103495.2647 173971.4487 376581.55 131216.7814 119228.0717 215186.5572 395479.9456 122701.4246 95241.06191 182548.5399 443518.4372 125729.3204 164853.914 205057.9468 326013.7203 141804.5158 225496.0433 328327.3927 255688.3097 111354.1403 139113.1564 169549.8299 392048.4724 128714.8212 143541.5169 203569.0805 463320.824 118897.9416 144761.0233 187791.5353 463489.4864 119376.5978 151889.3808 195327.5781 198398.7217 105193.8891 160657.6685 191774.607 341649.0232 196551.9565 226979.1216 383417.8305 227720.951 102377.3822 116739.1722 170620.2861 243479.0759 120459.5173 175388.5823 163498.8926 439692.7192 157225.4936 152736.7777 215623.2228 273175.8321 128060.7254 150271.8434 162689.5419 395707.5017 185944.7346 221228.3719 362142.3972 387495.5698 109849.7484 86565.56617 173555.2437 442973.8567 96417.39416 150227.6027 184730.612 444543.9415 126893.7341 152667.9225 215523.9325 252133.1323 135390.386 165065.8133 178735.583 310036.1583 160853.8224 224859.1904 271292.1177 Ala-Ala-Ala-Ser 538072.3575 559398.5572 426623.2205 975135.267 740900.2029 495606.3093 441674.3511 846303.6567 791984.6231 510695.5743 363351.6039 867121.5237 742489.8869 448917.4085 526872.2465 996314.1429 346793.5238 387140.1585 541216.1115 443541.7993 475557.1576 392225.8457 603741.9321 1004018.76 671982.9931 490251.6656 577160.6501 880177.0875 802681.5985 388089.6493 540230.6256 855889.07 756266.0952 415821.9247 539311.108 903376.0717 362962.734 390185.5024 491798.4538 944092.0331 340114.3916 361491.4493 505084.28 490693.7263 488335.5576 471764.2378 468570.8198 893101.2591 453439.1656 436087.5279 619932.4621 907426.9094 840411.9176 489035.92 606633.7961 996252.198 529597.3572 411165.8684 518249.5859 925530.3874 392935.39 352223.5641 549821.7711 479351.5365 809836.1021 435228.6659 368829.9823 1005479.033 737247.1871 378760.6382 550384.5372 887514.6919 806027.4188 459639.4375 596797.5344 934301.169 482446.8903 510434.3761 469750.4785 923595.5086 353783.9134 327732.8801 519172.2646 372041.739 S-Adenosyl-L-homocysteine 229474.5351 271156.3202 241575.0606 417632.4046 283577.375 227924.1713 204854.7557 292036.067 357019.6816 247884.4551 157355.0556 282621.6694 355741.3924 255712.0711 248644.912 310085.298 155099.164 229970.598 208989.6637 147724.2247 195124.6691 216386.9985 309690.1577 425247.7504 244463.3835 235915.9507 245098.8117 288523.806 345460.9534 212812.4252 293944.1044 328340.8823 257799.1255 206263.8317 236715.2051 300233.3328 160411.9623 204115.5752 236228.8524 314256.4488 141156.1179 234316.4993 187593.6602 168110.4021 187919.6806 252392.273 267691.4556 366358.7639 200911.3064 242141.2617 263659.9088 291359.0986 361218.3402 266317.3969 253278.3466 296712.062 255865.1225 221698.1302 274862.3061 316710.2373 174482.6731 190518.6758 179895.9275 169618.8891 335210.4877 248735.0906 234107.3209 414153.4962 311992.4687 206816.0922 231959.1016 316455.0856 447257.5184 275696.5298 268961.1286 315215.8431 207393.2283 273490.0007 270009.3233 304302.9498 160259.1394 187315.0971 174395.2462 113410.8944 Lotaustralin 2542850.789 1398324.918 1733771.605 5010305.048 3338454.513 1779340.218 1908525.698 4144602.453 3946890.803 1890732.927 1377458.934 3606644.368 4590585.676 1611089.063 2425403.678 4671607.659 2961637.667 2555934.219 2630498.831 4920064.06 2157719.754 1380837.039 2322902.774 5143681.614 3233660.509 1769413.956 2281636.849 4168848.25 4146750.732 1479894.075 2339066.797 4404813.881 3785216.019 1961582.198 2473886.86 4273950.74 2349991.587 1485084.106 2512805.123 5067344.782 2358095.878 2250403.402 2544327.544 5285423.417 2472591.88 1469031.319 1915051.488 4329058.602 2620611.94 1862116.684 2640109.811 3941172.032 4169446.413 1928941.123 2443583.035 4564467.781 3309341.966 1904225.509 2624790.505 4606524.169 3057911.482 2182523.46 2678749.441 5335611.174 3327844.306 1524949.935 1810085.801 5374110.876 3633372.879 1577016.583 2451321.1 4174878.433 4586176.974 1866760.985 2464826.715 4464363.273 2461395.661 2253915.523 2693326.068 4766626.527 2512709.304 1913272.299 2864942.597 3431755.224 CMP 46902.41945 23535.09329 26168.23423 52197.18732 67968.29786 36116.86334 30096.16949 47498.88065 92651.67951 39208.07223 29758.65225 53370.64862 125893.2226 72259.69425 59806.94569 102517.2537 53810.89467 60115.51616 46353.90362 32836.99594 39086.21236 14704.20137 34599.36141 48849.41641 46695.94247 23784.74094 42266.61549 34769.38629 52099.95333 26368.07703 37242.93094 34023.28368 28385.73314 25601.67389 26760.95821 61829.44618 18939.40025 30225.82293 37648.10103 74129.40273 43229.70977 44837.11295 32875.72901 40707.14651 35280.09953 30569.32203 22065.73464 42408.95387 43393.80018 31888.91952 41619.39341 60911.68045 101978.7055 58022.22063 51828.15646 84956.90033 75791.61154 69879.37498 58662.3243 132125.8018 82087.19571 50930.27749 38654.39159 28364.18465 75940.89049 19881.64742 11168.47824 42670.38424 57161.25881 34435.72705 33615.06199 49146.64829 78025.19147 50498.15176 56457.86588 95157.13966 58533.72496 76478.87832 55346.11694 119102.7846 54795.78678 39831.62431 33415.44156 24965.29424 N2-(D-1-Carboxyethyl)-L-arginine 162288.82 133168.7098 217987.4871 262422.0203 278359.3668 185585.9777 161722.5032 245644.0311 267367.2681 209074.7192 125937.2024 236890.9695 307901.0638 192385.589 248608.7001 247914.2546 152695.8796 107128.2735 121706.1161 174474.7287 118705.6465 123689.1133 221326.4168 295460.0673 265426.572 171776.2269 224585.9942 286186.0895 273319.7786 169836.1646 230008.6922 267456.8913 269752.3762 162804.8678 243260.5885 234057.2019 126786.7149 164717.0794 255587.8133 256942.9428 130864.551 104326.4186 116351.6515 171020.6059 139802.3346 142860.4559 164304.0483 266317.9761 158814.1947 166622.7541 258604.6894 238492.4306 285333.7314 217111.5099 236119.9588 263811.3967 213199.513 192877.3001 272370.0063 281839.0799 182025.3922 97324.87699 130704.898 161623.2449 322095.0952 148210.4624 132099.858 289115.1432 273831.9387 132376.4692 288605.5052 247550.6482 368380.6834 194718.2124 278286.7251 263065.9631 181659.4726 194424.0257 240273.5007 253719.6359 127771.1842 80313.37627 110394.8328 110368.8144 PE(36:0) 872586.1583 684288.2443 958443.1923 577209.1677 669912.7499 581420.2835 681247.7245 549560.388 485726.4373 797215.7295 767074.1004 596978.9496 113985.6847 623167.6703 636817.1764 578632.0884 517977.878 355447.4903 575096.0313 521332.1394 945642.3999 715929.9525 775006.0701 497802.8773 519101.0653 670675.338 758989.0735 470571.2034 493856.8713 707491.6551 348481.9917 529059.6352 388038.208 872887.0313 681273.5875 675756.8575 719733.0327 738386.6615 469328.627 566981.1752 515003.5485 510015.7357 460753.2535 323838.4001 679710.0356 685836.6057 790946.4187 530939.724 829123.4887 827472.9077 559814.471 479755.0948 421221.7602 401097.9012 659774.9306 474819.457 847138.0733 684853.357 389032.9033 590799.9143 534372.2788 451180.9962 428329.1071 278536.4369 1157395.62 560349.9851 270217.2487 557487.5824 492149.0073 640160.7956 456167.4346 567340.0777 312642.3399 353982.7692 343958.3851 590858.697 720660.2413 634856.7248 940024.844 538263.9342 491718.6253 378433.2015 456540.6276 384071.4132 Ergothioneine 25152470.6 25145641.97 20982360.31 77010291.48 44501980.71 27810236.59 22494258.18 71824075.09 46470541.03 24362153.96 20373627 65194683.13 61760389.7 26768636.1 36277936.01 68689433.23 35452300.93 39550681.43 35817380.12 75188294.75 30268245.14 19155566.46 28771432.22 73339488.04 55741260.82 23719615.77 31886740.92 62991407.73 58449041.27 22781833.4 29516599.37 73408854.82 46175868.51 25707388.53 33460639.04 69557580.28 26254745.73 23022596.3 31297523.71 81582983.37 29991193.64 27275874.94 41226544.36 88080493.88 28727372.78 21563129.86 22093074.58 68612575.91 28278449.16 24056177.82 33405185.77 67050171.62 45930848.06 30153940.77 29908509.88 79158775.76 32723808.16 26749988.19 33363161.9 74311083.08 50238008.69 33280014.2 36283203.79 84983596.18 35538261.12 21610947.57 21282155.25 76689619.66 46848816.88 22017801.19 28837315.76 73654147.52 52894727.18 26202272.53 32422435.76 74775430.02 29679173.98 29218708.94 32554742.48 75959251.47 34540381.95 30098447.3 35670443.27 65114523.74 L-Alanine 3842623.821 2212139.666 2001371.66 1943305.8 5561887.279 2449521.038 1803010.031 1786293.264 4164572.532 1860426.961 1412525.143 1538668.736 3866419.373 1626868.015 1646925.179 1622877.465 2703398.278 2324322.43 2581878.07 2575107.901 4317208.722 2036105.751 2449917.975 1998510.398 5773027.106 2218974.562 2405262.443 1834635.056 5098570.852 1996737.693 2422751.304 2012619.065 4929151.494 2162997.261 2684746.832 2223486.802 3419030.481 1934943.456 2820634.325 2463779.932 2427697.152 2059077.628 2332071.468 2690360.028 3538692.24 2393783.296 2030296.552 1964697.988 3361891.331 1826624.471 2241476.786 1968762.408 4431145.075 1646026.346 1722597.726 1561411.398 3415211.536 1489085.861 1992448.463 1921581.206 2961219.999 2036042.705 2293929.174 2520206.399 5625551.049 2364432.972 1887884.229 2064213.952 4771278.638 1749506.533 2225197.01 1469532.881 4679034.507 1875531.993 1827734.748 1298092.699 4047986.063 1755745.162 2045904.755 1951205.169 2674956.035 1787479.552 2362882.865 2228871.708 Guanine 299469.214 257416.4285 204686.8549 357196.746 428175.25 300285.9181 238938.3641 318293.9955 452164.7563 344478.0021 246600.584 350909.3893 845172.4826 441371.0971 514492.2907 431033.6509 223937.7949 390910.4913 244273.2826 278395.4557 349204.5595 307649.4206 301033.5957 307899.5053 460664.7902 299759.1052 297668.5226 330426.061 640987.2044 408069.1976 378756.2716 420659.5356 794000.9764 490141.3824 637168.2282 551022.0685 751363.5528 572645.5259 734561.0274 609814.9282 197996.0151 333983.9371 244330.6988 278760.9531 270569.8943 283916.8374 266423.9294 343727.2581 373881.4385 369864.3183 412599.9381 275340.162 871458.9581 485399.4373 450722.3591 500010.1581 796832.1808 497445.0627 630174.7945 480875.7183 205556.1468 302403.9724 271772.5349 272045.7031 428252.7223 261385.711 237011.9706 318614.0008 488347.6607 314184.3688 382367.7435 352222.6544 920144.0538 501606.0968 537099.6148 463036.0404 636901.6537 559447.584 632201.3163 539851.1009 189360.2793 360510.4556 236393.4254 224230.1665 Asp-Leu-Lys-Lys 219921.8594 101326.5262 69194.91279 147421.7217 401211.9215 113450.5805 90474.21364 123271.845 457294.7788 90174.22172 66734.67993 116925.3194 525867.687 92781.10557 132467.5873 135532.0484 259692.679 178111.9325 198822.3298 266428.6988 199984.6588 76598.58603 117727.33 152493.3835 382435.1084 91148.63503 128253.1009 128983.4905 462192.9769 102430.7658 124105.4544 133964.4752 418532.7652 87418.9815 143269.4948 139256.435 164037.9673 77778.62352 119862.1221 130652.5809 250910.5436 141873.8361 171870.9705 261079.8143 212234.3694 88553.47549 73352.41666 126069.812 251327.1465 96023.98193 127453.3052 135570.5125 472151.9837 110978.6294 137953.7984 151227.1369 316835.9249 103272.5091 141762.1465 129329.6914 330481.3674 143456.3433 193400.4892 254097.6274 364268.7237 97341.64509 77409.20344 128436.9473 430601.144 82776.3716 122202.9089 129699.3187 505116.0458 104013.5464 123339.4158 118218.0728 221454.8251 111599.076 148327.7772 120505.58 205977.8029 106781.8886 174257.7068 231647.1503 Pyridoxine 5633720.726 37595.81132 4963873.76 6719484.464 7943027.54 6597893.257 6941642.45 6794289.734 6695826.201 5380197.602 5110340.701 5491379.925 4448624.662 4890130.747 6176690.191 6842846.017 2494832.192 5132287.692 5752717.409 7398997.944 6241382.977 4828279.082 7182877.697 7377137.556 6889872.721 6231454.738 6018190.416 6707127.32 7216260.77 5999692.275 7731393.021 6531820.6 4088894.022 4725472.119 6025906.007 6293120.003 1455849.257 3465234.861 4771771.141 6178504.549 2302331.989 4614344.759 5435694.787 7429370.976 5411311.42 4399587.077 7234570.684 6228720.603 4158933.304 5500252.948 8422676.574 6300770.021 4703052.825 5582847.349 6234433.558 6268993.604 1957173.978 4171279.365 5586585.002 6449582.291 2822006.54 4589542.854 6010681.183 6740237.548 7925629.118 4560865.962 5379158.361 6258711.342 6464078.259 4789938.939 7442109.504 6303183.844 5011340.383 5523430.045 6020054.211 6351174.353 2000625.449 4266877.529 5236265.808 6450783.007 2413972.428 3518418.194 5696406.374 5148194.873 N-hydroxyisoleucine 40630.96565 49287.17613 42809.8248 218551.3974 51326.92182 46226.77418 39528.68711 222385.0659 49650.81713 42930.08479 38012.90339 188088.6462 57212.97679 52584.00176 56065.92113 233108.1548 38426.66712 71509.01742 89506.40668 377969.6268 37850.84024 47896.22999 63939.55234 212035.2797 57602.0727 40508.03737 57207.93261 215634.3234 53660.01881 50063.49462 62299.2524 207433.0008 55928.66738 45240.89784 60469.24015 205060.5876 30094.12085 34536.34566 49021.78303 193628.7245 37465.21305 64890.51622 81289.58084 402022.6755 41505.79544 44938.45539 50515.09207 199290.5366 34802.92974 44518.03434 66508.47273 188546.5921 60046.76049 48662.08238 55670.08498 227180.5565 41426.00013 39769.17494 63445.40924 216964.0718 43868.44017 67020.21062 92582.44953 350611.5872 46683.29327 46919.71372 44916.11496 217001.7226 59903.57062 48231.78565 58309.67615 197065.3131 59140.57596 46224.02212 55181.47616 225355.4147 31973.0372 45294.41505 81498.22445 213716.0304 43242.01672 57317.09983 73121.42976 306166.9391 Ala-Ser 0 0 0 380892.0887 281528.507 169175.1424 0 359967.6978 329302.7551 149736.4655 0 345965.2385 418982.3078 153156.7296 170109.1654 473203.6053 0 138943.1699 136306.684 213884.7363 0 0 0 367324.0007 258969.4122 0 103105.0046 324317.5734 333370.1582 114525.5601 0 426658.778 339437.8229 0 194206.8098 445370.2643 0 0 167261.1892 431658.2927 0 0 0 199818.3122 0 0 0 343599.8941 135534.0789 135662.1398 137181.086 356104.4751 447341.7903 162034.2331 185730.9171 509426.445 191066.1621 0 179785.9966 377992.33 175000.8931 0 0 216157.8971 199240.7086 0 0 382539.0685 328801.6678 0 138517.3058 407351.8713 401680.9446 150819.4872 173428.9763 445413.1704 140696.5517 171706.8017 201204.8504 448105.0265 0 0 0 132327.8575 cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene 2002663.948 1443129.163 1581205.024 1614583.603 2555731.565 1882247.295 1520897.385 1341745.619 2806620.138 2024814.286 1177737.967 1455232.777 3607810.608 2290207.939 2178487.856 1408699.905 2962051.444 3055638.438 3145996.03 2757339.947 1714402.959 1194962.416 2287024.712 1777234.983 2890134.064 1651684.016 2182327.754 1338021.566 3620154.188 1571176.059 2208758.755 1405959.728 2947270.289 1745032.015 2157858.313 1509983.873 1604617.743 1361051.012 2250695.419 1398880.427 2693254.768 2687983.387 3388425.57 2958587.342 1861811.049 1396224.334 1630091.808 1578744.173 1900475.389 1742207.582 2086366.031 1343143.436 3230210.09 2046671.297 1865634.006 1526351.335 2023965.577 1920270.194 1823208.611 1322377.161 2877741.112 2757093.512 2954259.179 2884759.96 3104808.159 1305887.878 1420301.082 1760798.773 3025687.349 1340364.583 2165074.801 1415326.172 3456677.243 2088447.18 2151873.327 1554164.784 2040191.601 2028296.002 2117378.343 1498320.417 2807466.784 2477328.537 3161172.23 2125238.026 Glu-Met-Ser 873017.6008 1834257.439 1881431.16 1501496.028 1599565.282 2109578.981 1985093.794 1470283.767 1920735.036 2249848.84 1634497.887 1282512.435 2097200.029 2394913.984 3003592.309 1473158.013 1423370.422 1745457.886 1133190.472 408407.4165 942271.9366 1538281.049 2656092.607 1466374.24 1546457.914 1905213.975 2985737.853 1320736.561 1760667.952 2039726.139 2514426.592 1342136.83 1741750.018 2268538.141 3063496.431 1452767.567 1109012.666 2113952.662 2982394.373 1333171.431 1242860.912 1573772.782 1055134.135 480910.9543 958558.333 1678885.4 2004184.464 1559934.075 1015206.257 1922494.715 3090715.957 1300237.756 2003838.505 2475017.839 2990150.22 1377818.794 1436839.21 2635644.067 3068002.3 1449236.07 1787019.581 1360389.402 1000263.044 510655.0477 1084662.869 1960837.98 2130323.405 1526065.991 1825301.813 2024085.369 2777380.444 1292684.576 2239573.506 2203221.462 2750643.666 1425421.324 1139227.839 2648479.905 3197285.046 1373646.724 1331243.849 1352941.917 1166968.436 285218.105 Vinylacetylglycine 154918.2354 86819.06753 62365.80502 105392.4647 224368.1835 65985.39372 67810.08072 104683.4989 236682.9696 79051.84442 62439.72564 114015.56 261588.0242 91213.72433 101755.3867 117804.2204 188789.6332 133646.3139 117606.712 201360.5345 155480.593 75735.03882 87313.87316 111145.3904 232147.1305 79513.23695 85330.93544 131811.2431 262764.7073 76489.79129 91188.07944 130038.1078 225355.56 80647.55681 102897.8914 116164.3488 132748.4566 68677.23719 86841.67802 121839.7219 177590.0662 112742.9673 112784.0109 222743.4674 141983.3042 79377.34396 63543.19719 107010.8507 154997.0846 76926.32929 91380.72545 109741.4761 238936.2935 97345.62468 94221.74994 121534.2357 196063.3014 73023.87855 90084.63697 127848.9142 213063.8704 107704.8423 130593.7915 207461.2721 222367.2596 72564.73794 65776.40407 123609.645 242308.938 72613.30687 91030.31754 119519.6712 269814.2061 91589.82978 96456.71897 114122.4165 153769.5335 91139.05466 93583.46349 109490.2809 180032.2637 104694.4562 126967.8473 168677.4423 N-Acetylputrescine 1001930.522 891958.0841 807010.2877 1195508.771 1287601.868 996173.6018 913982.5259 1252189.069 1334510.928 1064125.274 830479.1576 1261240.022 1478556.232 1092739.903 1196978.942 1483575.014 793908.6568 1072248.758 1184111.699 1177499.783 892111.174 788647.6656 1004330.019 1279008.079 1088262.747 951079.7408 918510.3554 946101.9384 1400373.121 916574.0617 1133305.538 1298506.008 1326447.296 992979.1704 1301479.548 1440326.644 824705.3213 875898.3124 1251786.696 1324026.521 891676.7612 950743.5052 1087150.456 1265403.48 837112.0628 810441.5155 913731.3342 1065250.983 930522.0193 992791.5519 1184026.644 1224480.545 1503422.394 1160445.082 1236380.838 1432231.36 1281208.782 1002540.091 1398488.175 1477566.824 957471.5861 913911.4609 1108861.689 1438398.427 1293824.308 809940.9725 711557.4779 1200772.06 1405872.017 922201.7349 1191669.833 1232810.474 1807118.181 1055166.978 1319298.126 1362110.157 944592.7696 1187852.329 1346417.891 1471702.318 836843.5983 845617.929 1151562.714 1097027.774 Ala-Asp-Ser 196879.9249 197673.4086 158203.9355 304781.3259 357982.4628 263633.5024 169387.4443 277434.2954 386849.0205 256309.7577 136665.9354 272515.9972 439148.5983 208871.1268 250673.5762 283314.0535 156201.1823 80588.69871 106869.8371 74418.64414 158954.2912 179038.8452 258394.0611 300364.7105 333567.2304 222823.0193 252236.6459 246417.35 405883.9691 218102.225 225960.7552 280390.5907 381235.2337 222247.9317 263320.7699 304986.7228 180183.5995 197728.545 329839.5539 289356.9637 141415.8895 81310.02669 109626.7543 87947.56044 198080.185 194890.7316 171682.2556 269956.5042 209429.9489 249115.8798 268031.5714 307710.9974 432624.7511 297891.9686 292336.593 297707.3197 260705.6461 234038.0351 265865.0042 299912.0852 175674.045 71639.25038 106343.8229 84375.70573 346919.1345 171863.5344 144883.9793 330272.5015 347500.9266 175180.6908 275242.4009 303831.1471 423902.5023 271524.1725 236115.043 306675.7237 223670.2448 261878.2807 258034.2456 302265.4862 112286.2717 65873.44466 98893.12595 54198.37657 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 43688.30317 65327.30214 70014.82062 80932.19671 57786.06002 86729.94031 85238.08549 66394.275 66843.76114 65706.65126 65442.36343 74412.35432 73110.83381 85837.52586 107564.321 70928.7342 28411.59245 80040.78653 129797.1196 79950.38098 32922.8692 58458.68799 104201.2752 76382.45027 64244.09179 66904.4822 95916.28535 81880.23965 69629.44338 69138.46027 126398.4769 68768.43175 67329.23857 84916.91774 121726.6216 64936.78298 31812.65877 64864.60668 118844.1094 62392.54755 31326.47693 99427.40368 122960.429 81749.52447 37301.90502 70045.31755 76442.99627 72337.8485 37720.78339 69561.19681 116820.7321 82232.74541 90677.78066 97010.70013 120069.6831 83969.66651 46611.84797 76551.51334 125303.7197 91078.25774 48217.94398 104527.0418 130970.4033 76516.3857 64674.75285 56636.88002 64774.32663 72193.35883 72448.87799 60857.55851 98111.83155 75161.71953 77577.58033 84734.01868 116298.0936 79335.98936 33432.90554 87346.95245 120047.4675 82364.90534 32981.21765 96252.44636 127230.3925 58825.69443 Adenine 152636.9403 133833.8456 116091.8274 189253.372 209970.3353 180497.845 113596.0719 189558.615 245822.5638 205246.807 141747.0376 215021.0651 341110.3221 267661.8122 200767.4471 243266.8974 138405.011 190833.5575 185525.2247 440686.9704 175079.9345 141159.5064 150435.5447 221168.4677 179887.4306 181060.9592 151353.9074 213438.6414 287662.0463 188582.745 194311.6783 226955.0666 253309.3671 182474.0986 216530.758 228204.8362 182227.8711 168731.7356 213549.7702 194615.906 161272.3164 169660.3971 191397.0937 462592.3471 191599.7107 136602.8781 139435.0275 154029.2838 174223.8537 221424.9772 210866.0705 193379.91 319976.5653 269169.9217 221708.7382 283962.7251 190038.2125 240894.0465 237283.081 243557.4631 180887.6911 207473.4028 173566.5075 384604.7355 220596.7074 150716.8755 126566.7135 190634.0973 192659.935 195915.9738 160017.4909 214174.4562 297431.8262 308438.5091 236454.7537 252543.6491 203959.8899 222154.5468 239231.4816 238591.0998 193003.5864 172857.7038 214895.8881 384081.7716 Thr-Asp 83470.27772 126801.3826 97140.42677 163587.9148 228208.3375 148696.6606 98403.36593 195649.871 254467.8931 102606.5334 69995.60604 151416.8024 248979.4003 120629.7203 145800.5131 146655.5517 107332.549 74477.38901 80577.19021 71207.90389 66964.79005 90274.43042 147619.5782 148830.4506 236782.6819 143911.2525 151309.1758 180484.8284 257125.7059 110921.039 133615.6834 130270.6572 253885.0062 125176.4706 155465.9904 186524.1968 97612.16504 111276.3972 157735.1871 211168.5987 106752.7906 59105.26475 78408.15218 82306.03685 84084.72451 91202.63427 99778.67118 147574.3734 139253.034 110811.4587 147325.4726 129470.876 240681.4565 144565.9543 126080.1014 155535.8373 126184.6579 125574.7678 142043.8925 141125.7237 140855.2386 55469.95132 65521.86868 62105.70746 164009.5564 97782.69405 99941.78923 162859.6074 249527.2166 100811.707 141289.3826 165760.426 258178.2352 105478.1035 141824.9545 129419.6902 112237.7188 119690.4976 141586.1009 147458.5492 84963.71116 56729.74036 75978.85411 48441.43614 5-Hydroxytryptophan 731097.2092 479719.7926 417318.6276 432123.6754 556848.6858 474463.3725 386945.821 402404.3798 579137.5269 489692.8483 373716.6414 116626.4434 555086.6148 498400.8945 445996.0034 485929.1943 485591.8961 433207.6099 504113.5162 466322.1776 462147.7581 60759.31789 449000.504 488981.6548 541961.3822 425289.3604 369657.7233 397373.5375 562321.9368 419229.0221 541290.9212 405098.204 754019.3875 425819.583 574316.5241 436556.924 388626.6328 375398.9646 615145.5644 484796.9203 713228.6657 621165.5056 610250.1738 496511.8796 371894.3106 447946.2762 420947.3204 127441.9871 581100.6651 397844.2351 478028.2084 379924.0703 666750.4312 562376.7942 459621.0436 327600.795 625864.7521 487381.9188 666972.4506 416499.4678 464928.4012 446523.3757 521513.711 513685.7127 1249322.814 529524.9875 301651.0496 461785.53 602686.8464 357782.3887 478054.8304 388593.6909 741048.1749 690270.2814 555443.3327 348219.6234 608367.6772 483475.6357 586038.3315 473595.4423 520760.7317 395915.8309 511567.9696 400148.5116 Ala-Leu-Lys-Asp 58628.16606 65867.17273 21782.10854 87946.57871 81146.59497 65414.35569 63929.43003 83602.19177 72018.21141 59879.36924 57820.41663 100107.2939 101142.7737 68883.68728 90451.57922 99309.36828 58587.11348 65621.90254 87491.37354 68223.92079 40679.8853 45034.00492 93618.74271 84234.3316 67170.43842 62732.76513 86995.74923 96483.53542 98507.87565 47253.81746 89416.55915 92088.96063 80122.97763 48861.37708 83236.7502 103325.8572 37719.46197 56004.394 83443.63705 93456.18987 33205.9302 60895.3346 73456.04742 94426.72672 43555.69568 51058.95737 64243.48894 87610.8834 50503.84649 63474.78592 83994.08185 89395.06097 86028.44104 72168.84047 87020.22871 103260.5874 57658.25121 57998.03467 93038.00166 107723.9707 62360.13674 62287.66943 82646.05033 82936.48575 81557.47267 54266.44726 0 96519.98302 70440.30112 39066.60588 79546.75905 101599.516 86215.51099 59621.46045 82917.16686 107298.4107 62272.09361 66108.26728 96652.40116 120683.7132 36545.94365 54894.49854 68619.03843 58594.66334 Ethanolamine phosphate 151603.6252 222868.293 88577.99382 171185.8259 173876.1456 265447.7178 117273.0554 255731.1963 307895.2296 238174.5882 104248.5689 334021.168 622129.9577 275374.3614 182490.8272 388012.4774 42485.83032 44432.24696 50306.22694 51614.4089 110218.6188 173900.1127 150009.656 189893.4871 147821.6386 238477.2986 117534.271 193556.8336 253910.393 181277.8649 127882.8047 220261.4534 272058.7032 160319.7761 131540.9391 257560.2943 229674.1694 159501.7368 161658.5459 358577.4792 33774.6561 37602.37487 46679.938 66219.32224 113063.1296 216991.246 87647.06217 173768.4141 172720.1728 175401.984 163438.4881 239363.7177 471753.5576 252711.8808 197139.6966 452066.3641 511771.0409 246212.1193 227533.6146 562896.9229 34164.31798 33228.60128 39550.7842 47891.69886 148169.6727 201552.9279 82837.95159 160981.5383 230006.8523 169843.6542 152115.2815 285952.1434 451311.5674 208191.9825 176490.5735 368336.992 387248.6859 274671.2969 240334.0226 548702.108 31482.69652 33984.38405 35991.09837 31247.52499 Cer(d40:2) 354327.6041 299598.3467 251782.5114 564480.9847 116700.7176 150153.1994 295152.5583 576727.5061 76403.0513 189817.3275 284764.6274 617458.4563 33226.82868 178264.4364 218289.8636 688878.9212 191675.1119 137792.6391 289456.1466 458294.6174 614836.0863 444908.0701 317468.3693 623256.642 66347.37691 268783.0067 281929.4067 654560.2182 52860.21451 137990.6146 97850.33037 493264.06 56023.01139 259853.7345 227321.4873 550308.7685 270569.8943 372966.9951 208837.7988 465451.2751 217350.6198 174798.0579 178660.5715 475077.6622 488196.5857 534146.5454 307568.0302 502509.3361 305411.843 204142.3294 208199.9849 450794.1508 42087.58211 111774.2825 212641.4068 547327.7769 145115.7563 430870.9234 239200.3496 517499.7484 153745.3182 229634.8538 162168.3029 337399.6285 128013.8038 440805.2944 0 698176.2725 62731.8328 344014.1958 152714.7419 467196.0405 0 96318.94325 106143.155 499954.5431 158684.3825 270569.8943 202514.2133 548442.8058 345725.3205 277090.0437 246818.1344 622144.4404 DL-Methionine sulfone 0 12138.71985 0 0 13751.48275 12718.45048 9758.101177 0 14466.18446 18321.87431 0 0 14923.90736 0 0 0 30348.03863 39159.018 37033.15673 80848.24952 0 11403.97248 32837.65479 0 12391.29835 10054.77755 12519.56416 0 11464.1056 10808.64735 10916.07684 0 9494.448737 8692.334694 0 0 0 0 0 0 25340.05063 36369.6875 48479.79705 94908.90926 0 23668.71283 21270.44723 0 8838.850848 9013.686926 13288.72647 0 11128.43372 23542.31254 0 0 0 0 0 0 32386.22871 36753.94218 36907.2791 81213.85512 10507.34368 13872.50884 0 0 23570.96739 7627.093109 0 0 16091.57496 7980.520506 0 0 0 0 0 0 23560.39793 29024.00053 36582.76181 70622.58773 Cysteinyl-Hydroxyproline 68987.20363 12981.52205 13360.96885 47800.98424 66313.84498 23134.59264 21929.19198 80192.09641 65218.41892 23416.23702 15083.40952 91813.60796 78339.10328 32476.45932 35403.57076 108051.2961 176122.2976 73100.17507 54945.39492 90603.36082 64746.23739 22660.74449 11262.43644 54424.56632 62709.23146 22623.48044 29895.35053 58560.39932 68615.75447 20804.12316 36409.74453 86592.26527 65345.77126 21043.91253 38371.74618 88428.27815 45235.36874 29617.47991 42312.79795 78194.98687 182505.8349 62787.6769 52165.25896 94259.39276 63602.17823 12021.16451 9486.516416 49604.97382 67038.26599 24769.31791 27070.7442 112443.4144 63210.69994 33262.16847 34055.89937 116715.65 59410.09139 27226.10746 52222.27426 86988.93137 206300.2269 86409.82676 44631.28718 82794.91708 69423.2848 25239.63387 20858.12686 42027.92678 71465.24123 23736.29677 32886.72289 84216.26243 89774.48358 25037.9815 30806.97032 99606.34883 70544.65817 33225.31251 46953.45538 104609.4648 164052.3887 85840.71674 48671.04246 65006.35168 8-Amino-7-oxononanoate 2116555.609 4410330.701 3528707.453 3458896.854 3300257.367 5058521.513 4432569.764 3387037.779 3163212.495 4757696.582 3741631.408 3001468.86 3321232.932 4456041.884 6159555.47 3525261.031 2029263.19 5299390.132 6484397.605 3408552.654 2067731.471 3927346.07 5388896.512 3612740.058 3097136.493 4541584.869 4588512.816 3379690.273 3371238.907 3844182.872 5557920.586 3260566.349 3394953.273 3849881.425 6158746.922 3802977.565 1750635.7 3710556.832 5843864.079 3410380.606 2187720.84 5176122.697 5810111.671 3790265.006 1948889.271 4366429.441 4199058.894 3517690.667 2146966.285 3850796.064 6532057.04 3185576.541 3397799.793 4513667.563 5853263.619 3584736.029 2615825.038 4056480.305 6401726.98 3704111.726 2708282.123 4884209.774 5864824.005 3517282.154 3237837.333 4314635.506 1255007.928 3665711.74 3074232.48 3802539.55 5726031.287 3288843.682 3440623.851 4237949.706 6019009.928 3512147.691 2202545.595 4805140.372 6204057.644 3740322.446 2244188.625 4858288.883 5998618.933 3023449.367 Glutathione disulfide 10562932.94 11188149.07 8339991.796 15174950.2 10777097.63 12371465.54 9650762.379 15853497.06 12253895.2 10058616.6 8019406.37 16790278.02 14566129.65 11809692.4 14969051.27 24237824.53 8636597.767 18559643.54 15997837.27 20695392.02 3099495.564 7311937.269 13403901.66 16309206.26 11486617.64 8872391.54 15435215.23 17137368.28 13322253.39 9145991.511 14371055.67 17911389.36 15240758.17 8540941.583 17775964.49 19213780.48 5004143.482 6924624.311 21667516.41 23923532.35 8760585.511 15144678.44 16557516.8 20881151.57 5039366.582 9469436.371 8019550.204 15562624.21 7309777.486 8585420.351 17272497.63 17176701.96 18659407.02 14898544.7 18098047.17 20675085.32 9573454.515 8916662.731 20330676.78 19409611.25 12372046.92 16870053.28 21787282.66 21495850.8 26846240.6 10614368.29 9418352.323 17053484 12701643.87 7247768.591 15814011.87 17111569.63 15952378.04 14947000.83 17836732.95 20470840.16 8704785.664 11382748.58 18590241.68 21621359.97 7302340.496 13993823.55 15990198.71 13799563.61 Thiamin 339282.5555 301623.5333 231914.1978 429454.8972 432553.9976 288033.087 235910.7322 405198.7096 418661.3991 274114.6915 251487.5678 448996.5674 398985.0146 322698.3686 302915.9228 461432.4976 186468.4442 177954.7276 142195.8323 157780.8453 332726.4873 285641.4158 259726.6608 458043.8631 364167.1289 286963.2916 270569.8943 440877.7022 394189.939 273162.6789 308428.3213 483754.3767 368219.5524 316479.8072 323157.885 442581.2351 313390.1755 283294.528 325201.2214 493974.6263 207743.6463 172399.4542 127782.4138 169453.1314 279628.5364 268207.0487 256802.0661 403677.8022 318012.9197 285834.7558 350980.8508 428872.385 475234.4639 334484.3165 293992.713 521148.0099 366772.6411 287025.0646 334569.1162 492836.3136 236052.4691 157216.1362 126673.7352 166955.9544 397697.3475 282013.7649 196920.5436 423985.6403 379310.002 293843.3715 296602.0992 428051.7847 469146.0899 317431.5275 333563.9851 494866.2125 297713.5662 347999.333 337516.5566 530255.1999 216768.9377 157633.2642 155440.7106 142838.1604 Ovothiol disulfide 82074.42641 36970.48483 28892.88752 302998.0757 104984.5798 46121.28363 37548.67652 270569.8943 88667.0648 45176.88646 33035.78876 258988.3368 95682.33382 51252.21633 43038.09646 267860.013 59634.29376 40252.26851 40958.58092 256066.3467 84583.89286 39219.58512 44089.52522 265044.3066 117836.9475 44244.69593 38221.18869 270678.8844 110921.1653 37656.02825 46180.84216 266625.8214 81454.17678 33412.71116 37726.79903 258924.5131 71724.25887 44978.37161 42222.44853 270803.7854 75747.09421 53124.83721 34095.80385 229991.7897 69195.98109 39572.28459 34862.13214 251555.4139 67654.41421 40954.19501 50863.53947 268381.0909 121391.8449 46938.69936 42468.49421 265152.2562 84097.58964 40362.01359 52737.84141 252906.3681 77951.1126 39250.25177 47256.46554 248777.3597 96576.91794 40325.96406 28263.74974 300655.6992 101085.4043 32713.99287 39064.72204 268366.6053 110079.2059 51424.01393 43624.97354 292622.0713 77263.95606 43598.73142 45721.24501 237836.9007 88029.98755 38299.78252 37762.48168 184363.7951 sn-glycero-3-Phosphoethanolamine 665526.6159 711145.3407 529865.6172 787538.2357 1007208.614 859445.8389 609248.2299 1120949.181 1207459.126 865679.265 586682.205 1160631.844 1103095.547 837042.2931 852620.155 1330347.979 280554.9825 420054.9569 480580.4754 370666.0797 641292.9657 595231.4144 672325.4068 902657.5624 837222.2731 775916.8419 698830.5603 1030881.946 1028697.38 624421.1085 785024.6707 1072133.424 1127055.995 704897.6504 798736.4964 1291010.051 709362.696 591574.0791 864687.9542 1293984.849 265288.2379 389085.3818 448181.5617 364707.2272 564748.3622 710987.2725 614016.1243 676065.1099 704544.4789 670444.932 866149.9979 1074114.976 1254400.646 883281.4106 909390.9717 1350561.781 887602.2914 748019.5265 1022973.407 1215766.29 293772.0983 405627.6827 463175.7119 329034.9484 941061.8877 668589.0516 416612.8014 761511.1378 1052477.77 597613.155 730532.7181 1082588.911 1331018.803 769587.3629 928455.9875 1209258.848 882486.3001 887392.8051 936047.9069 1323953.158 306163.9662 344652.8493 426167.981 237980.9722 N-dimethylethanolamine 105914.9709 38137.52527 6291.424429 23071.41046 109857.5075 28262.83988 8302.199572 38311.54045 165904.5151 33485.26226 7211.709264 39751.45296 177710.7267 44918.32906 11066.64162 14741.98396 92329.64691 37419.67826 12507.21281 28674.47936 126304.8104 41456.56236 13750.86502 45475.76587 140270.3006 49804.4775 8902.294129 48144.80912 156796.0912 46731.43388 10807.26866 34030.24045 170778.8897 22006.60673 10483.27754 43409.4249 94023.62061 25473.1983 12966.69084 31206.18473 86176.90172 35185.43498 11576.04326 31557.10895 97754.88701 44202.68205 15977.06805 42432.4714 107575.0371 23600.28489 10811.92354 41702.07399 219720.7226 35769.87178 10871.44811 41158.39069 174472.8225 28584.49535 11656.5228 47160.14912 107975.1532 15286.21378 10100.47011 21245.72051 177689.724 49724.47813 16177.65042 30379.13511 113651.1009 27856.1738 16655.25441 46103.76846 160162.2363 25568.97884 17556.24236 35909.46535 127241.4661 25960.25362 10909.03069 38327.84269 87320.44256 37442.8349 15385.82157 23868.57512 N2-Acetyl-L-aminoadipate 1941639.012 820436.3872 690031.4778 1228030.522 2877983.274 960024.1284 733424.018 1407838.268 2873422.484 842532.2773 641926.9292 1316966.161 3182896.213 945452.2622 1020267.42 1455244.834 2289577.561 1341853.718 1489628.175 2713208.327 1882038.335 797502.516 956111.2972 1297157.914 2887433.373 841778.0316 898869.7586 1392420.089 3373686.871 834083.5581 1029930.102 1340718.188 2927192.178 809122.8768 1147895.868 1446475.978 1502906.052 724274.8281 949599.9724 1383020.457 2364975.306 1279186.861 1510776.091 2766604.896 1726714.178 742275.7198 761705.8217 1159216.077 1922532.365 845871.421 1059308.799 1238517.703 3161691.073 962168.9817 1039745.343 1392495.712 2123616.753 855667.2642 1068967.979 1418379.64 2840337.977 1325268.731 1542423.189 2680564.91 2859306.441 836374.585 609845.4665 1258166.352 2955493.509 785497.165 1017112.952 1347306.52 3316449.018 922807.7966 1084479.185 1400772.917 1940639.527 932985.5306 1096016.064 1389562.131 2195669.574 1096341.904 1583143.448 2052991.416 gamma-Glutamyl-beta-cyanoalanine 330431.0604 384966.1051 352483.9202 673136.8541 539665.6604 444451.8649 342295.172 614996.3617 539693.8878 412557.9663 269443.9037 548759.5117 598715.4505 440526.4034 530259.8198 567390.0426 234738.4853 279847.6392 250881.3614 186255.6668 253185.7334 312203.6858 508363.7805 610564.2879 530288.3853 371190.5798 485464.4352 583793.7717 497920.3931 363091.1861 519934.1986 570959.1776 563549.8266 393219.6124 499745.1549 530473.0227 307556.8431 374420.6601 647875.7593 519987.2624 232989.3749 230143.4304 221037.2047 190440.5396 288170.5361 332222.5004 348363.9784 583872.8337 340466.9747 377656.7827 531000.8544 569396.3897 587388.7436 446670.0235 499216.3632 563710.6283 457984.4906 405584.3825 519156.3211 576200.9405 309691.7594 235589.2397 232556.3484 221668.8645 458351.2845 348605.7114 334535.1448 597673.8749 563416.5044 311722.2474 523321.0123 526570.1937 646575.529 410377.6457 504110.1159 545443.6998 348979.6501 461009.3839 653058.5529 573869.4184 247371.7855 197110.1262 237975.5599 127547.6675 Isobutyryl-L-carnitine 551468.4027 263311.1326 198513.3787 176040.4229 739499.1222 258711.4196 260517.0017 146738.842 695410.0254 248468.9392 242381.5906 130680.0527 690275.4103 233090.5779 273233.2573 156902.9634 920177.9145 582126.2083 639479.2163 679726.5183 578860.761 244819.6189 254574.3493 186966.4974 703127.8104 273762.436 243168.5761 137326.1611 752650.5561 248033.7555 334205.9722 159491.8302 662448.1723 224775.1995 274668.3597 153278.208 485078.1336 221449.4034 310074.846 185717.415 914629.1006 532160.8196 527074.6798 648726.4102 472475.8889 251682.5888 226389.9367 172289.0778 526743.1424 221602.7953 302725.9749 156597.8856 842479.8823 267623.3335 272591.0819 148740.0246 558532.4707 270816.854 311596.7275 145486.1853 977341.0934 503321.8737 569178.9255 631967.212 717793.7249 270569.8943 247895.3342 186292.3678 673253.5096 207975.4937 284358.8458 181653.9151 751657.9493 249307.2791 297468.2697 151369.3056 541375.3876 258134.9977 301415.9219 142847.8742 959758.3371 519982.73 605200.3573 536287.3609 Ala-Trp-Gly-Gly 190772.7118 249102.9621 249778.8863 585401.8343 157194.9725 182412.962 235689.2363 266736.9912 122045.6002 107269.0036 153070.7239 165698.4654 54297.22076 72990.57615 124960.0853 80383.09421 55737.06918 161482.4234 118305.5064 173669.9907 227619.0188 208785.5273 271072.9141 686635.4381 162623.1528 140496.0726 292082.1895 285344.8532 120778.5847 118685.0894 202870.793 193754.7723 48255.62178 60962.39096 107290.424 69289.47212 10856.25639 28999.47164 103681.5306 0 64536.2701 131753.9817 144200.4617 145755.9548 201799.04 229055.8063 293649.7126 531939.0598 101686.588 117371.2764 231588.6016 189657.8871 49833.62826 71717.27712 161307.3554 105387.0598 17190.87651 39576.11327 100107.5072 52143.05052 56757.66736 109946.235 157267.8597 142212.1257 264536.6762 212854.2003 234023.0204 551056.466 152006.9805 126561.4468 235196.0322 186143.9003 56753.63498 62919.53644 150701.6121 91545.21513 15346.21491 50834.93782 105514.6702 55028.44665 42358.82934 122375.4861 126034.7105 123633.3523 O-Acetyl-L-homoserine 39233.29647 48938.90951 36166.25962 65646.86601 59917.61795 45352.005 38478.97112 67562.79071 43167.7407 48043.97429 48837.16882 76513.60892 50438.36852 59163.49031 66784.45663 64073.45536 46198.63961 59444.99585 67637.64087 51766.98972 36933.50125 40307.44281 41275.53295 69178.3356 36553.08239 63353.43335 40626.30131 48636.89693 81984.02298 57082.33508 53826.19872 66787.41208 38752.64335 56573.01556 80089.48819 58660.64821 33428.6283 61939.95256 85180.11258 65286.42032 42646.41681 47677.21101 61469.04942 79086.91667 45490.12161 39126.991 40871.93 42039.66653 33220.01938 69017.13033 77496.93487 59206.39416 69990.67323 107496.4012 63595.86997 61259.41112 53751.65283 61289.3978 79288.34977 66364.00261 38255.5553 44050.60267 67870.80331 57871.65309 59144.27428 53027.39311 42630.68934 56816.78214 40684.70854 46441.36585 53338.58883 73176.75711 75380.03695 103743.9194 80929.85113 66843.83093 42086.85823 71345.07385 76776.30715 80117.83675 39286.51576 45354.76879 57678.87614 58674.84839 N5-acetyl-N5-hydroxy-L-ornithine 663300.6361 966070.9175 838248.604 225075.6904 987802.2901 1056171.567 900328.2391 235791.2851 936826.3124 1004863.296 704314.7048 229933.0726 968395.324 1153783.219 1130029.53 272039.2831 671240.708 399776.0895 262752.7288 112559.5177 671524.0125 756039.1098 1036760.525 231801.9631 888590.2714 1030653.478 1034823.754 270569.8943 978614.4445 952787.8229 1032823.676 240925.4863 883018.5141 950407.1219 1150132.895 253718.9238 672218.2187 907577.7581 1150439.897 224456.0884 823989.9914 407241.5622 272429.0609 105571.021 561432.0213 850637.4381 853432.7686 203863.3574 629306.3971 952769.3611 1075986.842 224752.0227 1061600.05 1127768.648 1180616.336 250086.7235 755690.0424 1020469.802 1208137.001 247884.0735 1044442.296 377493.8016 257115.7319 95748.64999 839161.1501 993901.9968 748926.0777 236551.3688 927703.2752 971080.7202 1056758.447 233350.9516 1091590.991 1082248.175 1172360.79 262083.0844 669294.0265 1190327.517 1153207.677 260493.7063 761647.4852 337523.1574 242225.8394 76699.4286 Tussilagine 187745.5684 83106.82271 69777.34187 174430.4232 293459.4973 85458.9176 85645.5898 126124.3265 338821.7635 110238.0618 89240.24532 222690.1854 303845.125 83416.23137 116739.3245 126850.2544 217907.6828 127795.1001 154583.1577 241496.2185 192932.2436 93440.40973 117357.1886 197440.634 281108.0868 90791.21007 80463.03659 132541.955 299389.0302 95757.47235 100588.233 165994.6709 273481.0322 86131.86795 100307.7281 140495.285 162697.1039 63027.98062 81081.63258 149556.7856 242300.1113 141572.4154 105528.403 207351.2351 154841.7326 105249.9468 75027.81224 212585.8749 202956.2878 113510.1083 115099.9623 181792.3119 365072.1059 73978.90632 141365.2644 128009.5276 212290.3884 190367.8169 183984.8597 223934.5195 294910.4672 116614.0995 170927.1459 266231.1782 308389.553 100065.54 79124.49368 197600.8955 281122.6133 81962.53836 169786.8319 221429.3926 272874.5767 116632.141 97850.37154 138299.8499 200917.5932 120420.041 108593.3721 167816.6332 206893.2851 85115.22689 148454.5945 238751.4118 N2-(D-1-Carboxyethyl)-L-lysine 193245.5591 200699.6264 314953.7503 462116.2032 308469.5962 280190.498 287126.0084 435079.6818 334785.1066 260766.8092 203440.735 347702.952 361315.0915 263013.7688 361630.4855 416897.1035 142682.1762 288923.4265 303237.0336 197071.8938 152539.503 180887.4413 386196.1547 395887.7381 298590.0065 239173.6325 354082.2096 336634.0147 344372.0409 220761.604 417651.1142 337562.6956 357871.3158 245206.786 434827.7574 422963.0011 152204.1012 232893.7427 408094.8299 399342.8338 123592.4265 254765.413 278618.5826 253741.3471 162613.7184 200790.3772 269022.8877 397509.2465 203940.6005 241747.4268 419261.3574 371611.4894 358023.1261 331588.0495 381580.5436 380916.4918 256932.3451 254213.5768 415898.9369 364340.9612 176490.6351 240465.1404 299184.6907 210434.6937 321121.2313 224999.849 207143.2362 469580.638 339005.1204 195402.0784 379812.6866 427401.8764 421487.9013 283456.308 369431.8813 364096.6672 197468.6975 322045.4899 436930.1923 409773.6388 114558.2004 202354.5486 290830.8269 154932.9101 3-Amino-2-piperidone 15524.08153 21188.89654 0 19552.35596 20434.02816 18722.97859 15652.38267 0 25697.95549 21032.56226 17448.18616 25138.06734 36478.14435 53154.33883 43693.39144 0 17079.01059 44237.49797 46657.65422 0 15479.45732 19116.81756 16713.92867 18398.9207 17369.73354 17998.92069 17859.56851 0 27837.07421 39842.56979 39729.47452 0 35545.13847 21002.59025 51555.35505 47996.51292 16487.52511 24292.53053 51724.96914 0 16604.85805 35267.12558 44707.39249 40760.05828 0 24095.93054 19447.06834 21037.99234 25624.02233 23171.42727 20566.17545 0 60999.30977 25237.78171 44185.04393 0 21927.22415 39825.33532 50914.65783 20332.53538 38857.74067 41097.1961 47844.15186 33550.82859 19233.06383 18582.63973 0 17613.96491 22246.31911 17983.91619 36081.45588 23077.34961 28157.40465 52584.63644 31845.94423 0 15657.27498 34016.68172 28931.76594 21604.06266 19954.27433 26144.87149 49224.47384 0 PE(P-34:1) 466034.0751 472909.5607 535394.7504 457707.5963 309722.4919 358249.5251 443572.1681 472621.0226 282939.9658 529536.3321 789546.5 515484.3666 244617.6335 426143.5376 544772.4251 460615.4361 312889.7714 341829.5038 397283.764 507996.9649 425046.1955 636057.5914 432416.2706 580956.3263 277659.0963 528034.4636 494599.8356 414728.1625 332881.656 425198.9382 251921.6747 340910.9596 270569.8943 539300.5792 487961.553 416401.4489 386774.7807 553752.7636 346081.0593 434047.7547 241301.5723 361478.7242 439005.0493 280642.0126 433691.1964 476832.5463 472523.3475 451293.1925 469825.0211 535507.5722 349710.4564 426232.5297 240879.5333 430233.5889 517164.2306 410184.8689 328417.8739 513053.8931 562935.3709 394241.3228 281338.6364 318210.9487 409852.9109 289261.3757 463679.8919 546043.6028 307656.8635 424818.306 275428.762 478277.2059 335736.7046 501930.6378 273109.1724 345320.9934 331337.9905 448456.0458 545747.6771 493932.8077 490082.4098 446093.6414 326278.2405 443070.8386 425236.9033 288385.5686 Neuraminic acid 96264.6927 100553.7235 86175.27674 161603.8966 151167.0996 123024.8312 97098.33614 166508.9201 176455.3986 114286.7775 71128.65198 170759.1838 182644.8666 130680.7663 129579.4272 164221.5699 82717.55157 128226.5587 133817.3261 167839.1756 79732.15177 82226.52833 131906.7717 156184.8183 180647.2781 110196.628 128899.9568 166569.3432 172511.7472 90975.02166 172643.668 154805.1568 151960.1964 112072.243 129780.702 161132.0284 69188.57437 88147.4539 142078.0845 148379.4307 81315.51052 119603.456 140780.4173 156630.906 77626.02213 97016.08508 96272.55033 140130.3433 90737.0254 108257.2496 156729.5859 172313.1237 176678.1205 134842.6047 141306.9821 183272.5619 104459.1783 124108.3615 163451.2291 163756.6084 123142.0057 119639.4584 131343.7329 161682.0394 152915.9526 91587.10732 73268.02409 155080.3913 154361.1422 90359.73867 137034.544 163276.6328 179708.8845 112726.0623 144796.0088 164154.3404 93001.40542 125921.152 166222.1258 173158.3775 67609.12977 108644.4743 142531.81 112056.693 Camptothecin 211945.1606 299092.5953 343345.5066 492036.308 441395.2242 303478.5038 312851.7981 496543.0676 435915.237 322447.8149 206580.0662 418035.947 415224.4891 314152.2793 426719.36 442129.3573 221733.2294 424758.8438 454227.5658 445423.833 245760.8571 198466.3784 383389.2859 492827.9526 398529.6461 292586.1155 388587.1012 454126.9722 398839.8276 303178.7577 400615.4433 440470.3559 418032.9897 334087.5714 424157.0594 435471.8188 181728.6711 282911.2163 420991.9832 422038.4745 200087.2349 398858.239 454225.9961 510494.1359 193802.3098 237888.4377 313791.1668 453628.1979 206409.8388 292032.5951 467794.9111 412102.9757 424250.5946 400417.458 415591.5165 500414.2674 250983.4223 318775.3368 492615.0678 387344.6432 301053.6806 351685.3519 476777.4105 477928.6861 358301.8648 210071.0505 250960.0796 479764.8293 381394.0381 264144.0086 396787.7492 454406.5372 477551.5894 317569.2357 425011.921 489408.6842 220070.4274 352987.352 457194.2649 443277.8564 180430.0887 284935.6242 461082.1021 326000.6912 Ala-Asp-Cys-Ser 159820.2836 221464.9972 242954.7377 179482.2719 335789.9161 270569.8943 232935.6624 195728.1417 334822.5752 273965.8597 175507.8692 213702.4705 445995.5594 267981.0019 419047.3084 213492.5811 94945.39778 107972.0053 113794.519 39211.82109 117759.2701 153271.9802 372332.4277 186069.7021 330071.5754 234024.0446 367137.5909 185169.8143 393887.7549 206464.5615 346591.4879 195864.7258 375263.0167 236501.6586 423390.2531 197538.332 144627.4479 183304.6183 496169.0035 221223.0823 74809.71526 91376.90353 110571.4291 45897.38512 163581.016 187618.9948 242333.0678 171263.2384 181329.3881 215616.0318 421563.7177 191035.6744 457007.1239 335407.2791 447669.2164 252403.8765 266779.2958 275992.8705 499982.8746 234099.7979 136311.2647 117497.0336 113639.2602 54909.6188 300845.2368 189598.1086 189036.8256 183279.559 321366.1151 166266.9083 429985.6255 184688.6759 502619.9775 275723.6269 446320.9683 191891.5292 213386.5251 276832.0865 538137.6936 208946.0104 76774.17386 81222.66334 122409.213 34834.56639 5-6-Dihydrouridine 76049.01773 90504.84782 105004.1269 35489.05987 118608.1435 133682.8632 163984.2305 44831.9406 173144.299 141539.9042 88061.58223 122169.1378 155026.0281 197789.9585 194988.5541 89794.66955 147169.4348 227535.9872 297925.0017 150101.1705 62355.65432 132016.8297 138307.3749 134923.8495 161368.0144 106274.1671 199462.9979 92039.17459 148293.3184 74150.00242 113913.824 91853.01085 149936.3875 91383.50325 165606.5546 139969.9515 89177.02193 105944.7078 200839.8338 81526.24821 138910.9096 170411.7393 228273.8797 139643.9113 111461.664 85259.17049 164900.5146 37765.18289 87412.43876 109394.7447 234370.5039 40150.44888 150574.4772 139966.2656 143956.7422 124195.0237 89749.51782 114419.7971 119192.3124 41234.46629 217318.2143 201979.5885 288009.5399 136453.9626 93913.68011 99404.03878 118120.1024 77993.67348 120031.9871 79972.86226 129673.2853 25938.64787 147588.8336 113853.4185 107052.6266 27562.64095 105274.8099 98040.38509 123664.5869 47623.86432 158547.7613 235638.1054 227955.7539 185291.495 Ala-Val-Asp-Ser 67235.11367 49934.77853 43785.94979 104198.1713 123915.0075 62493.9254 61793.93242 89129.66397 126355.8489 52502.22612 48769.08176 112340.5382 124854.0734 65284.1231 67169.9097 98550.92726 59589.55826 60710.16303 79090.39121 77079.77936 48455.47072 36127.4125 67094.30494 112793.1509 104194.4673 48644.44745 49320.15254 110901.4826 127532.7238 50010.1744 60166.3043 119846.4229 121804.9983 53849.88023 75473.30603 105979.5874 50600.4591 45255.99857 77289.54481 117988.9954 57519.06454 54731.7197 76187.36478 92893.67646 56513.47117 40807.44852 43881.06719 98168.12657 65121.61481 56131.22325 77748.56974 101038.8227 140644.0694 62178.5006 83705.30691 110290.6325 74962.34504 47336.85408 72236.51959 94641.92153 81181.51148 47665.69453 77078.09351 88006.00386 115619.4571 36769.07801 45410.11132 104337.9156 121701.8822 38535.0924 71569.5824 107200.954 128329.0429 57852.86333 69439.47087 108632.2509 34529.23573 61317.73082 81389.08588 105140.4714 41623.35591 40343.75293 68763.85351 62369.17338 Adenosine 183760.3872 226133.2628 186371.1822 164391.9227 241958.1517 199721.6551 208982.7015 161745.8173 234291.9136 196873.0952 188833.0205 155163.8422 268844.6576 215577.5832 252901.3507 161833.8605 261953.1366 370540.9279 324794.2026 126037.636 201762.4723 170325.1977 207064.8682 185650.2692 218366.8762 203850.1583 209282.2641 168610.4414 241958.0536 195221.1629 257783.4464 155222.3739 231240.8995 221857.4585 251563.173 160472.3052 157009.5401 179302.5981 214772.9393 161673.8415 241383.9987 274409.0413 305399.4515 111859.973 146966.2775 182981.6967 199490.3407 153659.0445 163763.7109 199908.7237 243017.3289 137652.0977 267647.7235 258572.7742 219389.5675 156165.8261 215179.7222 216189.8618 241518.2043 172233.4817 303628.4957 273401.8586 255627.8113 139160.1031 250958.6949 216548.7009 194930.6652 207711.4192 246006.5948 194725.8497 256076.7647 145948.088 285263.4808 251579.8873 247900.2744 177102.443 203858.2563 260292.3423 257175.2379 188703.5308 242456.8274 267873.909 294885.5942 115634.8713 PC(32:0) 8873424.314 8908599.146 10127132.9 5279650.607 5995507.983 7086260.438 8417206.285 5343225.915 5359402.252 9412650.393 8669628.509 6032184.57 4737528.792 8336924.629 11094708.59 6157709.161 5244892.071 6224861.489 10665224.85 5068395.677 8482273.651 7648400.705 12379399.62 5807797.168 6029665.303 9677603.234 12068686.8 4990078.812 5074838.008 7378375.664 4621001.763 5227208.827 4752239.857 8005711.217 14464755.42 6284201.76 7756196.33 9142547.266 7754971.819 5595353.495 5448917.263 7271017.296 9114996.624 3776814.507 7827825.473 7219283.988 10299618.4 5259998.143 7340032.009 8585420.351 8184296.817 5262479.367 4709994.603 5302500.006 11470593.28 5498539.421 7192882.762 10530154.08 12684952.18 5668005.769 5791209.321 6172218.405 8247489.917 4405965.617 10403448.55 7631855.863 3919672.662 5295193.07 5928374.004 8790052.412 6903270.306 5890116.133 3716286.978 5272152.503 5152424.558 6526160.705 7953568.464 6362306.203 11346156.9 5427475.807 6684053.306 5969848.776 7517280.587 3557222.035 Asp-Ser 136659.2697 124948.7261 86619.97284 236151.2749 215214.1249 143272.642 95778.56718 288783.8949 248624.2579 114610.4095 83112.86125 272913.5136 278853.986 120443.4579 140342.0375 267933.9431 121211.8588 116234.9344 151787.8967 220138.6018 134320.0354 91801.41887 134163.144 269058.2087 230768.2355 118367.6725 124430.9995 265268.0499 244637.1048 87524.68988 122720.1562 296005.0822 255649.7987 100649.3413 136538.1826 305057.1002 104772.967 100572.7665 156533.2651 289641.3184 115596.7521 110860.0603 143401.1748 243593.582 134043.9636 103133.1007 93869.52922 236146.9936 126825.2269 106871.0376 135915.9796 237616.5659 243515.7277 114428.3855 140850.3887 270220.3441 159462.6249 107405.3027 148824.2601 247215.9438 153958.7945 104142.8168 122891.8704 224042.2457 218410.8086 110910.0536 91242.02082 270707.4007 252604.5752 78783.33161 142757.3849 280400.5608 282493.8213 115931.1487 145357.9236 323444.2205 141175.4316 134713.9612 151481.0133 285818.791 98934.81238 92895.66942 149302.9756 189480.9454 GMP 100275.1336 186281.9552 151107.5374 196562.9623 167934.6318 173578.4033 121030.9003 157507.1819 204905.5852 128560.5975 97459.99011 127438.8956 169352.4691 109968.2881 159797.4703 132985.8923 80914.04958 124261.803 152237.0721 95830.13952 86036.13327 147227.7384 225097.8249 209336.1937 225732.2385 154695.9392 168580.2209 185866.4975 201704.1349 124067.5964 146979.6491 144903.4154 167651.26 100526.9155 151272.5048 131732.1442 75497.04712 69569.9472 120851.5846 113091.5853 90945.72968 117613.3868 135961.6076 118591.1902 102379.8327 173346.3397 160891.6977 175024.2824 104495.7377 133858.3515 163438.2415 147967.0424 187965.4769 116551.9578 147721.9512 107638.0777 98480.86195 76768.20018 158671.6466 84197.96213 105546.7641 100892.6596 118008.4213 99243.70079 140123.0038 156351.197 162894.6906 179840.1099 194919.424 125403.8855 174716.2898 137256.2215 205151.3533 91834.80779 137374.6676 116748.9597 76610.39764 94559.08186 132272.147 113001.7219 77305.17869 96265.98699 135300.3772 78023.32961 N2-Succinyl-L-ornithine 55409.37525 38240.83909 27787.54127 37725.20766 95232.67818 32709.69999 29208.96148 44426.1743 92943.90988 35135.12915 20200.90186 58488.40406 102503.5841 40776.29815 39546.49303 65209.76423 143526.5335 109089.8769 99820.14438 38628.35573 47923.03353 30219.59654 35877.52109 60399.85014 103040.3377 36486.64707 40911.21809 45740.10996 110134.239 28849.66936 34834.49504 60792.36769 99090.32232 23736.27127 45847.9137 58581.48807 54309.9855 29234.2981 45556.9326 81609.89443 144415.4898 74113.18351 80870.05057 42625.25528 62146.02426 28500.53268 27634.72444 34290.19541 62791.07894 34659.00924 46676.20204 46820.45325 123315.1469 34854.52014 47957.26603 60131.47933 68761.77221 37465.89613 48647.41948 54952.54481 214830.0503 67541.57674 89410.56491 39441.11183 88889.93809 24628.6682 18360.74899 40590.7942 102454.7643 25215.3411 51054.72733 67341.07397 110768.7675 38159.77471 53116.05264 69663.00651 65542.7549 36214.22229 53817.36549 53327.38334 137561.9471 66480.81887 95643.4832 46615.28558 Vicine 103331.1121 73366.12311 48828.23705 249208.0388 135225.2405 72125.58818 49291.62599 251417.9756 149589.0133 56506.74076 33246.94445 125966.2601 186309.8717 78094.79628 54894.88179 243275.1589 111324.2083 77207.74356 85450.68415 207386.1598 78663.32825 56824.46961 65063.6165 235408.281 127143.3756 59515.85895 77085.20368 222659.7614 135965.3818 50546.86157 58962.4393 239754.1116 187787.6297 74259.90632 86677.01066 263573.0298 93764.50617 45720.22309 69372.51528 239967.7335 107251.9614 67312.1194 79304.95887 224905.4497 89732.3776 55523.77566 51946.86986 190626.9754 84070.4651 61076.80523 92833.10577 215417.695 202586.3333 69684.43704 71947.43767 231515.8187 127536.174 46624.02196 82681.9478 270569.8943 124563.5609 53182.84895 70672.49135 233518.2291 168669.1224 55110.8461 34055.35328 237669.5304 136416.4318 48801.48892 58000.25377 218664.8046 225166.127 52631.87341 65466.23976 228142.0493 104129.1203 58802.64475 66460.76178 199938.8145 88765.73588 49252.54825 64635.57352 147496.0765 4-Aminobutanoate 659404.15 559035.1846 526819.038 702365.6663 845650.9788 565078.127 536270.0537 771485.6028 777177.3224 636306.4133 413661.2097 590742.3918 882542.131 634856.368 958160.6066 724868.9322 495934.0281 372302.4731 464938.2845 355239.3585 574121.2838 472647.5058 635323.7015 756924.9358 839575.5828 592400.9618 598842.2048 692992.6771 887370.3775 510346.6901 671276.2592 691108.8122 787844.9688 493035.842 732522.009 788761.6566 426908.1535 509735.1387 736748.3778 740154.0821 437682.9463 387733.6855 452722.5966 403759.5602 525843.2761 426775.0231 642855.4489 542655.1867 600243.0287 556966.6072 762877.888 697158.519 894737.8243 712370.5693 781931.1199 870847.5756 522022.7421 579799.8904 816756.4311 666067.9027 568454.0813 349726.9161 460118.6024 367974.1733 1019467.076 463697.2973 562728.0026 831164.5359 1067049.224 471074.3234 644428.0133 696296.6212 982402.0136 534479.1438 770429.9472 755393.8448 547965.7394 605996.5837 909716.6955 676407.1178 377594.3211 380068.1433 492946.9659 310939.9455 4-Hydroxy-4-methylglutamate 190188.7063 209327.5171 141802.0654 255218.8225 357377.8479 220262.5375 180254.4273 263385.1305 399373.2378 232748.5009 156318.2222 269442.6011 396192.5358 254876.0706 276542.133 274966.6263 252045.0401 214370.4933 254918.9267 445336.9663 173287.678 167536.6174 240645.8439 315245.2381 334871.2452 216930.3997 254894.5757 259814.0824 400397.1005 221904.4892 281237.9559 235279.0194 457873.6243 221590.2105 309427.6952 275990.7148 179699.6572 213435.5451 278037.223 293223.5111 222388.2771 193599.8792 307608.9757 508698.6416 210966.1557 209841.3605 158846.7124 232477.0375 232233.9872 232635.6182 329545.473 225805.5534 411969.894 270569.8943 304294.713 271215.4821 270569.8943 238220.693 319081.2294 267383.9452 271874.5594 194179.5492 286672.519 535126.3064 287915.2717 155879.6493 135109.5356 252967.3097 367534.4909 208134.8667 271675.7387 277572.1241 411787.1238 253325.5518 286235.7958 285787.6183 249161.303 265144.2389 305469.7183 281601.2923 175201.168 173358.8234 286285.536 406715.3529 Acetyl-CoA 32781.48563 48354.73806 42726.88769 57335.31045 96126.94938 58409.78415 46919.44264 81824.23174 102340.7549 59196.86557 36736.13127 59948.34166 97380.1528 51320.90459 74883.97913 71733.38142 104129.1293 110544.1293 101854.043 123090.3456 24888.36035 49192.55686 60755.95895 55464.70835 103606.9399 55052.06075 61075.26687 72291.93999 101906.311 54757.81118 67432.30628 58303.35595 107349.9854 57938.15242 69003.00336 79721.17508 66725.76696 54679.56229 72921.97849 91867.56158 82340.37204 103233.3311 115070.0902 145193.8841 38507.45048 44488.40974 34663.4769 55450.21044 65380.63147 54048.10329 63105.69616 51628.17916 120974.4453 65663.54454 88635.41832 60505.68432 70250.25401 51654.76791 75160.16078 85022.4518 128297.3415 101411.6175 140920.5484 173939.3163 53824.99325 39683.77963 30346.75746 56758.93464 96856.4989 48286.67347 68623.05329 52442.07853 117923.3221 63415.92206 59565.21504 80216.94331 74262.73508 66535.79256 73847.51904 81008.93994 99879.78964 81545.22613 102008.881 106480.1459 S-(2-Hydroxyethyl)glutathione 200095.3656 339313.2989 476210.4289 846515.9506 333036.298 368262.1049 410561.2093 759013.1178 333717.6332 362584.6366 293188.3455 814844.1044 371977.286 400500.5948 542458.9912 876186.01 210038.1402 270913.2781 324809.2006 371148.2432 221930.8722 251381.0574 547785.1782 841321.5722 360916.956 399372.9227 560052.0559 779638.748 365817.8198 324405.097 384377.737 799210.0212 339707.0309 376768.2315 483619.2944 815524.8132 190463.2824 310980.6804 513316.3834 837220.8943 145580.0533 250221.3575 279480.0125 350585.3519 213519.4393 299956.7755 373993.2471 811329.1508 243126.5297 424487.7803 501590.2077 708119.4019 416727.1157 352121.2216 486550.8103 753061.6265 294207.379 347033.8332 554018.4902 917901.37 195082.9161 229304.8093 255181.1069 378032.6112 295398.3862 256082.9753 346698.7791 880652.8274 320705.204 333401.2743 495820.1708 738530.0559 360067.8022 352859.0146 488425.7077 907997.561 254848.4814 413413.1377 545606.5196 856528.16 164237.2301 217567.3348 308779.7151 269489.3763 Methyl 2-diazoacetamidohexonate 433921.427 626464.8297 664015.9986 6218373.542 779780.6149 1035046.332 680302.3307 6888249.254 882350.8554 752013.8407 624651.9719 6022881.092 894143.6891 885610.5283 1185417.881 6921086.464 459810.0879 979677.8759 1175386.768 5669165.785 437719.9403 573288.7641 961981.3738 6891651.96 815157.3377 775819.7101 914996.1444 5739640.436 990694.8313 676975.5867 973185.6233 6516289.198 823326.3951 892544.991 971408.4249 6512262.868 431547.701 759059.779 1102812.247 5872223.526 544982.9035 807931.844 1294522.692 6835567.215 456351.3491 825033.6717 895042.9321 5833450.992 494249.784 853006.4579 986738.5538 6010033.414 989066.3897 915070.0099 934900.0842 7336924.935 627597.1122 816906.7967 1350850.424 6811103.399 664869.3961 881932.6454 1158154.114 5989344.631 925227.213 608262.2215 295111.551 7216281.318 783496.4726 736920.4978 996783.5953 5643310.105 1284206.444 868148.7643 967365.7661 7292533.519 499350.9105 841734.5391 1077129.186 6428621.113 485687.9486 727502.4359 1143109.324 4633338.356 PC(14:1) 145694.6819 131893.5135 228809.0401 141229.1387 160469.1981 181013.3601 235620.9145 186532.766 190633.4647 175979.7221 289944.7078 174280.1551 150573.3899 218572.6661 230254.5933 183018.4883 396374.4319 390515.567 283265.9557 235834.9493 281369.7405 250429.247 168019.2279 138494.978 181162.3255 173633.1912 217206.9053 186968.109 218839.5755 238489.8614 310750.6022 174294.7698 170419.1755 202531.7943 203734.7594 179381.4249 369685.5034 250784.3571 201403.0674 168564.2394 349890.4848 365522.4885 219065.7993 190462.2156 225709.9265 154775.9049 164834.5081 180333.5903 207898.1017 204131.4515 216217.2157 229889.0119 243368.9942 329691.6353 205834.6452 197708.9433 196277.4258 251508.8293 250889.1584 173008.5231 248962.1846 322097.9623 244133.6634 164418.6094 116032.8523 177241.5871 461133.6569 152709.7369 171823.4146 181560.8794 194197.5853 173975.4325 218044.5906 298407.7547 287170.2748 181965.6891 296357.6922 217106.1689 220050.9944 186352.9932 451533.5127 389718.8977 341843.9536 363298.0642 Ala-Asp-Gly-Tyr 64733.18037 80926.71736 85777.07933 138916.0879 101378.89 116690.7095 80580.73096 132225.7176 94019.70467 80831.87783 65707.65068 128703.8034 123630.0785 92027.35607 106797.0402 127723.3922 67698.03895 104043.2203 138057.0307 122506.6592 61800.5693 79666.24159 121696.5684 123058.4312 101894.5142 88701.34144 100405.152 114399.1124 103415.4359 86824.17062 114446.6744 137062.7308 103900.0417 77687.83119 119849.5664 164072.2189 63859.63107 77750.06605 127872.3191 173589.8604 58021.55885 93753.05699 106031.1652 99257.34385 48528.53219 78965.50403 80960.93422 143388.3242 70602.273 74973.34539 121098.7988 148036.6456 112897.09 112561.0004 114786.5987 141342.1608 77762.09773 75930.98924 130846.8022 137355.0746 76711.91031 86431.6991 100924.0805 108401.9219 86785.84507 94845.22672 0 154090.4022 101368.0345 72581.58427 98847.01532 125450.5172 111000.5345 70981.23032 148805.7042 140595.9041 70991.38725 97626.52807 135926.0459 122183.0505 53579.19038 83748.34937 111512.9249 93532.16576 Ophthalmicacid 80894.97152 73996.02768 56339.40079 30500.39378 98807.24431 85064.665 72487.49187 46812.56287 147159.2661 84886.68554 53557.26791 25634.59065 128444.7381 86722.07045 99196.99973 23651.72678 231498.577 106274.7528 101335.0992 53760.67761 72539.17593 52640.65463 103382.8541 29179.34987 136984.1207 90128.34317 94699.11465 26340.84789 161760.8148 66696.0778 92254.79557 23634.71049 118337.1234 79507.18123 93051.18342 43205.34705 51618.8021 61006.08811 99195.35331 24042.78132 188476.9434 92808.95342 99774.60715 53348.64906 74172.45871 62372.50173 55712.78454 42846.52269 74732.14267 74810.56906 90688.36659 42046.93293 128836.268 68259.97977 90155.58393 31053.96058 77356.12343 61142.10038 89905.33847 40620.96227 256830.9939 94680.87955 102763.9083 52923.02123 111849.1126 72414.18089 32101.67596 39145.13329 141836.2169 57797.71486 102236.1927 27415.00572 131569.0909 78596.62454 89202.8099 23089.35922 65888.21313 84786.25415 93765.86108 32583.27241 210450.574 85722.06975 102524.5882 19177.9316 Met-Ala-Gly 300135.4566 258526.745 168442.4648 746284.4368 297874.3041 256895.2073 192895.3387 865308.9426 356578.6886 251597.9822 173156.1986 807423.3877 326502.9217 297840.6063 238736.7484 1087029.465 231297.0571 278943.2871 295673.1394 792795.802 246282.6532 183984.854 284953.1558 807502.2386 305473.2676 246199.9459 223372.7339 850801.9592 359002.6545 246962.6871 270569.8943 772791.708 390379.32 270937.3767 313430.6366 923479.2978 190246.105 225536.5115 275257.1032 936442.2846 288086.6998 349030.4601 319858.2194 856545.5016 213466.2671 197245.0008 206412.5099 750152.3772 251979.7507 216428.8442 246891.1193 755484.2121 367181.0375 293245.5964 278205.1407 973640.9771 317617.1134 314567.8131 295028.855 915878.4957 315579.6118 300053.2838 319292.0035 1055595.62 500940.3283 243372.9104 149719.7863 790109.9326 353687.6857 220169.9045 231067.37 858211.7682 465932.8533 343517.9552 267142.5287 954994.2509 292092.0623 262050.8425 337760.5808 848838.2933 232952.2467 223002.9385 241704.7027 640709.3175 AMP 4218851.595 7645399.514 6225734.376 10323095.37 9755131.471 7606562.87 5182144.115 9763434.164 12159634.47 6606434.784 4600386.288 9075825.957 11264473.59 5612014.816 7481544.151 9049493.124 14738597.01 22206735.07 19552912.22 16898755.35 4511706.147 6417253.176 9562019.016 10050329.17 12377053.12 7334930.638 6733056.847 10097152.12 12477885.21 5432298.658 6435280.849 9744538.25 10704818.24 4552771.32 7142498.424 8570728.93 4002786.098 3727315.953 6238126.955 6568872.115 13496037.14 21557986.14 17393755.02 20805220.11 4357716.364 7345646.812 6589736.736 9476898.184 8259606.167 5567259.604 7521303.832 9067903.574 10717197.88 5481796.409 6887031.296 8775954.425 6476171.747 4478930.13 7364070.008 6188462.942 17545811.99 19093833.03 14495921.13 18782088.9 7240904.749 7005943.882 6562169.934 9857880.796 11781234.89 5235511.816 7456413.151 8900948.422 12174183.24 6018522.435 7745712.873 9313508.21 5719186.774 5163176.662 7324274.187 6606911.511 12501210.62 19857157.44 15463049.3 14284975.39 Ribitol 712936.0451 1152629.634 1059716.921 1119273.357 678298.5048 638811.0392 666879.8345 823819.9058 460114.3824 407240.2226 273229.3931 411609.2696 240189.8487 182550.1382 218790.3225 123207.3866 391801.0477 429891.2893 384390.3404 165607.3372 737749.1112 802641.2303 1148484.072 1153200.602 532297.0408 641827.0669 942273.5203 608467.2977 397359.1929 385979.5755 504667.0496 360649.8559 177995.471 187701.5407 180504.4629 132806.2944 69693.11459 64840.73736 168402.0805 80286.31011 379991.1365 384392.7772 320445.3892 133440.4534 567990.8233 871763.9002 983449.3332 1013585.457 230692.1282 429536.0447 624977.8179 372940.177 295197.9791 207460.3671 255925.7171 115106.339 132813.1464 113295.7403 219228.1476 77798.09051 474280.1691 355948.8505 333399.2419 244847.337 1074399.752 945993.1552 709132.4122 1294837.469 405018.6354 338472.6758 511217.3736 448909.5326 261326.9441 153246.3067 238969.085 134073.7113 119171.8318 144880.9907 201080.8473 75529.78772 414793.4096 271961.2879 280232.5978 137053.0162 2-Furoate 35929.96578 27554.33502 35191.99366 35113.06532 63484.79154 35114.50943 29111.69138 50172.67049 49986.11286 35479.80547 30053.20796 65211.8303 81586.85706 34379.57963 38528.20199 41990.83198 49154.06907 62058.71945 60489.01701 59444.7103 37188.51138 24796.27031 40294.6723 48731.62995 56276.42297 28380.07367 48410.90701 51511.90396 55251.58685 30769.33049 31205.00008 42918.104 65405.31965 30515.22579 37064.25088 50531.3983 34732.1534 35577.99867 35884.41137 64079.21938 48603.16793 48160.60563 64691.00996 116104.1976 35275.20744 22595.64623 32439.84531 42697.25852 43316.40621 37559.4575 49539.124 42045.89072 67563.20846 45218.05893 31598.6633 47365.05908 41191.66807 29179.72239 40475.45059 39504.6244 52763.83353 49772.20764 53291.65066 102714.7384 64275.41588 28796.23101 24278.83523 36499.88071 62561.363 27481.48982 47077.18886 45871.42324 59315.88731 37285.61293 37017.73186 45106.94616 40456.84826 33289.92865 41392.81912 40053.89903 42863.86956 48273.34706 92280.82604 62090.17537 Tiglylcarnitine 76101.67551 52798.74737 36803.49747 50432.98242 71309.73524 47075.40735 46517.58453 49456.38575 77936.3273 52360.5245 40116.74454 49654.68876 71830.58481 49501.27907 50871.59155 52820.7536 73401.76085 57521.20572 86685.51026 71058.83589 73319.139 44344.26947 45092.1432 56170.05961 54120.56043 47357.9029 28389.51884 71196.71887 69442.85414 36828.19585 50849.7982 55266.29732 61352.61324 42839.89104 53073.47021 53466.91957 53664.35482 49532.21401 51507.71026 66918.02158 74309.95247 52320.97641 61261.94327 87086.26632 57694.44094 40979.03647 36491.08792 57349.66192 48394.17593 42629.57059 67957.88022 46650.88645 71151.75034 43887.35529 45489.65133 56521.22117 58282.55875 45094.71146 53012.51121 48489.55946 80722.9022 62261.92103 67206.99917 82057.20233 71850.91748 40052.92 56856.39206 53687.88347 71815.62224 33896.22958 54933.04503 48934.63178 71424.73107 71110.93326 54255.5744 54003.05812 54745.58877 46675.95625 53495.03304 50238.51973 87502.76635 60660.92861 61684.23009 71244.96039 (R)-2-Ethylmalate 157892.3662 285882.583 433747.4186 295329.7579 307782.2079 231058.8937 133058.6958 383830.3525 229302.6046 139991.3876 104454.1001 270569.8943 180402.8054 114195.2149 102716.6805 201216.7575 168007.5734 226407.4656 270569.8943 121974.5601 135684.2402 129175.2139 265632.6482 322287.3806 241396.3898 219226.5474 216192.8379 313210.9088 250252.2265 143851.4154 196552.5573 243855.1267 229308.7167 164842.498 158965.3066 240329.4793 79120.16605 108555.5998 199187.556 163344.9114 228632.2907 182116.5088 217234.6466 246237.8477 64239.71598 281821.8013 213609.9579 230036.4308 148981.6001 132631.768 201191.7594 249066.4835 210311.9857 142301.3978 129247.95 198007.8077 82754.2871 94680.34261 166169.2218 168815.7871 183342.8043 192806.7846 234949.3147 199851 221937.3518 317538.4213 927788.5238 226549.8547 248504.4984 110091.4194 173835.7634 223864.5218 180003.7936 156194.3155 137172.6452 197276.1272 147922.0938 120603.0501 128079.3465 177009.2081 185121.9782 145798.882 214274.1264 140331.9295 Glycerophosphoglycerol 557630.2733 469932.3084 763278.2831 982538.9265 1161832.326 629204.8774 668461.7342 925058.3805 1277354.99 598395.9834 504871.5717 829741.9782 1224234.279 533887.2159 897340.6363 937880.8656 32221.48944 59422.33449 62631.93565 49417.17522 477510.4531 407549.0214 1080449.987 918165.6568 1143006.72 488622.217 952478.8654 948025.7237 1320926.754 509971.0289 943435.7094 949859.713 1154781.474 492290.6237 1039568.248 975363.4331 391507.0547 405260.5499 940677.8952 946238.4337 30339.73953 39900.93658 60316.59556 69643.35653 553545.5547 485116.6222 673266.1041 895503.9839 613603.4212 485548.1292 1039903.652 904234.1241 1276228.564 663670.561 987266.1039 1072839.869 633438.8233 519231.2297 927232.5359 861959.5776 43746.57669 44948.10328 54938.23906 81551.28998 1041904.11 481071.358 742849.4084 946966.3083 1267070.662 421673.8021 1002805.182 891227.7397 1545636.01 579817.2916 968794.2423 936842.5504 561319.5542 552064.6504 1066989.431 919872.5214 25617.99917 39924.14283 62082.59169 40460.619 Pantothenate 406523.7937 466469.4171 433671.2582 252520.6072 537780.4232 483955.2452 501424.5884 261262.943 584609.3035 510186.7029 374323.38 217285.2001 570121.349 558452.1962 679472.7537 267336.6831 561344.4258 550213.8028 571138.3996 387497.347 454564.7729 463358.9175 548953.1106 277442.7119 496557.966 439387.114 614268.0112 214446.9816 590322.2995 522866.8769 591701.1638 245015.0747 479997.6429 528848.3377 658155.4664 234964.5593 443820.0386 509070.6417 814584.8315 280120.909 543195.1719 578041.4201 521187.3014 375438.2171 394585.9788 491875.4239 424282.7555 245044.9883 411644.8619 505002.5005 739220.4845 232850.9848 522511.0619 660613.0139 668921.879 268046.2895 477807.688 546285.3928 753941.4276 272024.0265 669767.5551 549521.2814 568011.9278 397636.1487 479254.6311 450420.5048 551135.8147 253291.7216 543780.8445 593465.0823 636746.8539 232225.5347 701046.8654 536166.7029 737149.8875 209978.399 475591.7161 629849.8279 754561.1088 270364.3194 555877.3847 542395.4704 562676.4775 313760.3613 Asn-Pro 962386.9188 1176109.585 1187566.016 1832428.787 1770660.068 1302950.481 1144163.367 2016507.55 1755080.753 1302214.113 987986.9816 1853657.093 1867599.711 1345536.21 1678230.748 1841897.911 773388.2725 1339524.24 1430398.96 1207016.4 942735.5783 979427.5444 1783743.529 1992242.781 1950690.132 1139339.485 1563933.007 2041950.779 2101401.353 1096030.991 1677346.375 2216164.604 1619993.484 1188366.422 1722736.141 1794432.923 773622.9135 1014846.019 1595672.596 1422626.402 810378.2317 1127482.675 1368011.202 1334094.97 1089948.419 1120897.47 1251500.637 1642104.119 1051103.121 1104465.663 1684059.532 2040574.755 2126040.397 1452843.407 1726479.779 1846885.271 1220427.463 1387552.353 1841496.011 1516100.794 1271153.213 1354197.134 1396515.233 1340730.315 1845436.297 1141353.954 1090755.732 1673541.482 1943021.776 1081615.309 1817275.842 1950430.18 2153242.673 1146614.935 1552251.131 1749434.564 1031592.335 1270252.562 1968906.679 1826191.627 805080.2792 1125636.586 1465599.564 920967.3592 Hercynine 3611869.294 1793066.219 1012135.53 3339951.052 1381529.268 982939.7122 804396.8493 2555727.761 1569820.357 1154286.468 685582.4823 2958696.005 1308752.061 1660691.52 1135347.615 4234149.551 1389802.395 1295002.066 863659.4652 1693157.021 1464460.377 852713.6913 1240205.926 3273476.625 1138695.454 1009891.579 795450.4025 3020695.061 1812860.812 1013695.969 980449.568 2645414.066 2397990.19 1383045.875 1229121.788 3299067.998 1092681.178 1444912.896 1459412.247 4681333.448 1581373.685 2110200.383 1131379.304 1994160.035 927005.5233 1618899.54 865221.5074 2808114.774 1525133.867 942882.3145 941051.1536 2573157.145 2089468.677 1150429.491 989982.4042 2717963.707 2049608.945 1735576.811 1399350.057 3922918.585 868876.2017 1000203.413 978624.9523 2131145.425 3487963.702 1399573.214 498087.9005 3204479.332 1979588.474 818261.3386 902581.7676 3429671.9 1299859.453 1638995.48 1305134.948 2832058.758 1552097.274 1643956.488 1243203.975 3596461.93 1186190.334 1130795.44 826080.1325 1356190.86 dibenzothiophene-5-oxide 162671.8377 101233.3291 135111.156 177660.5843 231315.4049 145920.9568 113165.1662 172139.3132 218460.8677 130736.9269 93523.64578 155518.473 309725.775 142933.828 155026.8557 141043.0974 187180.7578 249090.4753 245318.7801 315999.304 156476.1106 102175.0998 180731.5507 180331.7442 244971.6831 123084.2958 170574.9486 148144.6314 275534.3687 134737.4219 165053.1341 154405.0072 256530.1113 150902.6878 151710.2869 150609.2505 110754.2126 115367.2586 160282.8454 137822.2813 180670.3418 194036.7616 280924.8493 373092.4095 148369.2999 122039.2433 110935.2193 173724.3536 154422.3849 105481.7442 173005.9558 163854.1158 270569.8943 164329.6656 140615.1486 126522.5486 166043.083 145715.4522 147460.8722 125716.7309 216587.0919 179489.6268 214489.4911 334474.0101 248375.6382 134069.2411 126638.0244 184051.7843 264545.9901 120852.4198 168234.2628 172904.8695 284644.4734 162950.1798 169505.5266 137690.8484 142147.3364 190263.7208 151555.3634 144493.3172 181190.0002 180297.4194 225738.9945 243338.8348 Choline sulfate 68047.35771 50155.06252 36929.05757 43731.59585 78903.50265 79961.6112 45373.71919 43814.22644 78233.71255 34511.94479 35327.39001 68334.6412 119421.6353 48224.9575 70278.84957 51448.97184 74182.14248 88752.84604 83672.54259 56065.10463 48806.13601 42842.58512 60716.91982 47876.06616 85192.58115 45552.77714 70287.04935 39591.12018 97559.83783 48986.68079 48637.30372 46317.8893 92073.98156 50664.25701 79033.54334 38337.10666 40152.32618 54871.45189 65729.92999 32808.99495 71340.86745 69317.48538 81180.56934 80051.62587 51455.29603 38715.11955 38907.29376 48212.4967 48794.48472 46611.74994 80177.83666 38061.2276 82656.48584 80331.27889 68530.62807 45963.36263 75834.03255 53675.87813 77816.03871 32576.88429 72070.13156 85223.04006 72642.54915 73297.54829 84269.0358 43480.19996 0 38880.13254 85263.27196 51743.54293 57969.79646 34763.97878 87955.79277 55991.47705 70011.96383 38218.49142 62737.74135 47426.56225 76609.48319 52399.34069 46320.57729 58641.27272 86636.22957 40378.51344 SM(d32:1) 2981493.532 2496868.921 2750508.61 2620734.029 2191836.592 3029708.775 2661266.841 2753269.342 2587420.34 2765025.344 2729197.61 2890142.51 2597959.047 3264978.2 4780635.965 2850905.094 9496331.002 4149696.803 3844436.276 3753672.883 4101630.025 3223042.612 3668248.328 2834513.04 2421979.821 2528415.214 3924981.498 2663183.39 2934839.648 3611875.103 3866357.837 2687964.521 2485064.361 2669370.661 4489186.947 2906442.246 7016304.431 2640816.674 4055642.29 2525851.919 6088912.367 3731568.407 4287393.784 2863281.211 3758023.778 3041977.322 2385096.588 3034618.247 3389424.588 2632305.393 4054489.98 2580843.284 2943261.422 4161673.386 3900898.97 2915171.955 3291636.514 2687159.024 4263547.531 2715556.194 4066086.716 3510888.901 4428585.066 3270970.412 3444733.827 2262237.748 8846256.271 2977363.942 2426766.183 2743030.37 3214626.667 2894459.666 2739208.283 3874820.425 4452998.812 2829425.743 3493696.4 2731803.641 4519915.719 2996199.872 9815765.379 5041566.146 5340180.329 3939673.819 [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 1875983.585 875513.3743 543776.8145 3234428.629 270369.4206 371595.5311 507406.8366 2765977.999 153681.0779 484083.67 485088.3825 3269551.931 162814.2494 499226.5888 714075.807 2395818.648 1273728.6 509512.8186 833314.7341 1668693.281 3946699.159 2035534.15 759424.6748 3222348.042 220575.0031 706084.7513 850928.7265 3103896.058 161165.2861 290076.995 655550.2797 2591294.061 289950.6048 618653.3787 684153.7947 2404704.39 1675500.836 926617.2167 888174.0162 1742128.097 1297731.873 394684.4216 645041.865 2058867.497 2680469.789 2052137.124 743901.2409 3200039.889 1278188.679 421078.715 633642.5071 2285289.353 125682.7535 715919.735 710622.9554 2253541.467 446723.8235 942955.7664 601840.8686 2500195.235 356769.6474 489533.0973 620554.5423 1596424.531 382259.8309 1828421.955 278059.8635 3316808.18 157658.7231 949187.5159 696551.6201 2321956.3 99336.48951 471043.4757 679621.701 2434460.311 678640.1165 609249.9099 618669.8242 2281847.208 1667720.994 1349399.486 1001084.95 2407622.344 Lys-Ser 69597.91456 59044.93315 47467.05193 120183.2103 122673.0283 81976.70311 63438.5246 112834.4408 99150.5078 72297.73426 49918.92511 108046.6563 104375.8021 63015.0561 70950.34498 113708.4652 54096.70784 54468.45714 69803.58418 56886.33087 62092.61455 61800.45011 69076.98318 132026.0924 102131.5439 70142.68415 70357.70478 101694.7645 106930.9393 68118.01315 70522.33873 114666.3308 98685.32666 55552.42986 73650.63656 123717.7519 59802.6755 58515.38033 80938.22019 124211.5085 47499.81078 42828.09481 68573.99068 56390.27353 64181.39063 58571.40552 58336.95139 102774.6083 69729.83799 61733.58192 80871.67513 106128.565 95967.46094 74968.59734 75700.9238 138333.1613 75171.94794 68719.70461 76299.78373 129075.2435 54549.90136 44101.42849 62766.19923 57353.46069 111121.0614 47922.14532 51214.37472 114172.7084 101841.9661 50461.6914 78030.23653 115898.6474 114609.8994 78068.37243 69380.999 134247.4854 57311.07175 71733.50595 74554.56053 108796.3141 44055.95912 44641.40566 62491.90124 46067.83752 O-Acetylneuraminic acid 161688.4537 246953.9686 166645.6744 467287.5901 233583.3278 194903.5892 196899.5207 453978.0291 235878.3364 220461.2144 135183.8354 493415.2195 293175.9206 258424.6918 300115.3894 482472.4968 140873.8038 289020.6062 370440.3929 428268.1533 130647.1523 173865.6012 268954.3559 535049.2868 306107.2298 191365.4274 284160.9427 516951.3774 249852.2071 186494.9126 270148.121 499564.716 243334.0981 246615.7771 358535.1586 574210.6998 146960.1332 179633.392 340588.1156 504002.301 121534.6138 220126.7662 291656.5035 494789.4693 145444.8007 186099.5941 193856.6805 459755.0635 180577.7745 228225.3367 279358.2638 533913.4214 265437.0323 239053.6176 296860.5472 540372.549 149487.8604 270569.8943 313993.3744 560391.8699 203101.3733 213775.494 272949.1621 547428.1729 289393.4997 212251.0873 108568.1924 547235.1325 265456.8785 215871.3129 278445.214 477129.266 292581.667 261966.4489 276927.5253 613314.6044 138768.1049 252979.4024 391449.1769 516012.4847 131185.071 213514.6717 295682.4684 353849.1338 Pyridoxal 603796.7605 273218.8583 298946.5923 215978.3174 503941.6722 370783.462 448062.8565 156504.1944 683911.5122 608191.9455 658608.7394 262731.6187 961523.3882 923786.5068 1159217.309 433949.9689 509794.8446 505281.3313 876982.4974 188520.1558 494662.9683 240532.3198 373658.3308 247441.9855 428853.8715 275847.8943 415028.6809 166520.768 657213.2047 571901.2916 827174.0304 262446.2556 814338.0332 775224.905 1114753.715 315922.47 705889.3544 898187.2193 1282105.549 314451.5576 528595.7745 548984.0172 761925.3901 227762.0862 369323.2216 282402.6257 367813.0338 148662.0748 521313.4239 586146.1452 875172.5216 260084.5858 923275.1745 858147.811 1198140.11 301715.6599 1034153.712 973619.7449 1416574.224 409939.8857 492338.9055 511290.2421 843047.2385 187522.4199 575365.1008 287650.1991 88798.13811 176082.5196 602677.0095 540539.7927 949064.1803 341916.0142 933579.9967 867284.3594 1312903.043 300093.8095 914852.6621 1171561.891 1355487.398 336542.0689 477869.1359 370491.5112 797022.449 159995.0399 6-Acetyl-D-glucose 277555.3836 325419.951 296301.4993 275823.1078 321304.5621 368650.9179 306267.3976 349861.0934 384201.2071 299520.946 251861.6487 271257.6954 345021.4189 293206.8876 309116.3295 337817.1068 237906.4434 448057.6042 438388.3182 474186.8918 245586.5535 274691.6809 397082.1024 281892.7165 301622.9689 301262.3655 286379.9732 305431.0356 186355.7498 246196.9182 358777.9226 196599.5829 319045.9663 275582.7558 355609.6673 274373.7956 212768.992 221276.8897 326202.5917 339982.7151 225087.6572 298216.1522 377983.126 475621.9959 246694.3067 290067.3923 273254.4289 254854.8095 54982.89173 286130.3577 426936.1659 311629.1056 351227.9322 307373.2864 373965.0521 346966.9668 214192.2558 287164.4405 391190.0782 294979.1557 264174.741 473680.1836 402510.3634 447439.8837 357743.1068 321730.7428 274191.3458 262178.4569 302453.2064 270569.8943 326197.1345 307071.6216 363293.9936 300042.2172 372071.4761 345503.0019 206435.689 312890.4998 363433.4973 276312.6827 200188.9466 289086.1317 405840.7154 230738 L-Pipecolate 2128094.443 1812474.334 3049563.341 2025188.205 2272093.452 1210071.576 1993241.432 1145266.053 1630388.886 588794.5609 842845.1184 551932.1274 708498.8523 257616.6847 423081.9356 182050.0281 42266.64582 30923.40728 38801.53225 37640.14553 2058518.128 1687955.228 3923597.35 2192995.086 1914649.533 1077647.611 1993449.154 1256378.796 1483129.177 633021.3026 1287269.025 667600.0556 680499.2288 238469.9863 485925.4862 528189.8852 263370.9985 164902.4238 273791.8737 1281305.611 40239.05009 37501.96169 36760.88526 34624.16155 1829870.073 1832260.368 3073870.399 1944535.213 1063285.387 626203.5596 1358214.083 645650.3744 731330.6987 259620.4118 512442.4883 189729.2786 282591.923 125612.7432 238522.4975 136027.7836 44619.19262 38659.80889 41786.83564 32103.56889 2769790.457 1890219.586 2979841.943 2128490.907 1273404.457 537464.4478 1266632.477 691990.7132 698923.4019 215979.899 480772.4422 270569.8943 278626.9247 137152.0653 221950.1528 151762.9809 43015.62761 26167.72018 35622.04917 29063.10153 NADH 1149848.311 1312715.639 1592303.171 1904637.42 3301126.967 2082659.924 2129257.318 2800476.272 3836868.498 2267389.591 1499052.551 2264207.185 3483848.232 1612479.654 3002246.195 1528544.718 4110965.911 5560596.043 4907278.814 3685061.703 994387.0774 1133377.27 2541867.887 1995864.437 4640542.328 1673644.703 3214553.485 2590659.668 3358055.036 1944697.832 1990681.428 2653087.658 2621925.008 1229073.099 2396456.85 1504047.23 782182.0758 760219.1683 2596683.939 866708.6338 4057089.5 4780966.357 5144879.565 5138968.714 1128776.045 1245261.092 1728593.015 1833174.237 1969371.43 1877887.293 2504835.687 2059484.386 2499692.63 1408587.481 2498828.811 1373608.878 1387913.744 1221367.733 3054347.948 883724.6261 5326265.549 4476327.926 4027689.083 4751496.065 2707064.601 1173427.071 1919976.542 1877409.756 3233119.46 1658771.217 2542880.846 2153444.539 3336340.952 1598956.764 2561630.75 1209028.788 1236211.69 1851201.833 3198870.235 1139293.112 3764837.274 4487414.642 4478141.688 3032576.149 Ala-Asp-Gly 74879.5525 65159.86934 40427.29061 133135.098 120790.3097 74243.83422 51389.45933 146877.3789 114192.4956 65809.8905 45761.63222 129420.5336 136455.457 67743.27284 87695.99424 132314.5561 61299.98318 69674.5747 87645.67907 107867.8565 59945.50072 61661.24557 71540.85722 129739.89 118609.8454 76446.43146 78815.10504 149544.931 124529.9981 56098.78372 75830.54657 135854.002 142864.1059 62417.88553 89261.53731 138350.2755 55629.44841 63780.45512 81940.64765 117706.3491 42320.17626 89933.30568 84242.25962 126289.0505 66888.75295 53826.02151 46561.64915 115432.1023 69316.19359 65752.16031 77066.49924 134431.9975 141704.9942 74808.17453 86907.07606 131302.6002 80103.4329 54988.09708 80266.13912 137681.3986 82709.32454 41066.35853 71222.53751 97094.26076 115295.363 56379.78503 44418.30964 118883.4222 117923.0425 53551.41749 91926.9184 138337.3193 122325.2716 69147.39484 88001.41148 133465.08 63540.58943 89307.0035 88699.58383 138705.2916 75083.38513 36632.72066 82495.68375 78556.96296 Glu-Ala-Ser 388638.8774 390062.84 267135.0463 397696.0233 588757.7789 495912.4967 313305.4247 383255.3008 708579.6047 442008.719 223082.2299 393336.6303 647647.0857 354654.4395 434503.3492 318700.166 316004.2026 164582.6792 131674.5602 67234.26533 377916.1429 309268.9202 341804.6148 422204.5447 693078.133 484120.2932 413402.8224 404390.7977 766618.6925 430553.1887 424967.2831 453345.037 764542.031 358306.1882 477449.8257 539287.0558 437127.6406 348406.1393 529158.6274 547980.6572 296481.3977 132118.5576 187105.2839 121972.4062 369522.1597 289599.6086 205977.5033 407166.8213 376891.6837 368868.2024 442311.0725 408006.7247 836220.0101 434364.3665 427088.4761 483625.9307 513290.6637 437237.6595 743701.8583 523659.2961 362615.7676 164556.7181 207481.4564 115382.1371 678160.5869 340613.0555 225956.6008 440077.4406 597705.3054 429747.716 430751.2996 431382.3216 821136 385269.7513 349070.4653 378132.6978 490194.4086 500537.2667 584235.0017 477470.3658 272489.2931 126480.8337 249106.1825 71348.73879 Asn-Thr-Asn-Asn 160139.5892 94278.98747 98100.61175 324073.0621 252353.9282 109814.6174 89931.04646 299858.4145 271376.2065 118880.9021 64138.08668 323014.8146 287841.47 102411.7799 113331.2925 332413.7505 111333.0698 98446.95463 128018.5961 172210.6468 131949.7713 73972.9083 131406.7667 362290.3836 253345.6443 106295.6629 135251.0933 269431.3014 312569.9692 92498.05657 105597.6713 312471.1187 257482.2051 92910.2626 112283.8212 290704.4698 133043.0884 73929.27347 109706.7709 341851.5951 110055.2131 88326.14552 126828.8932 209552.2271 167474.6165 89084.3018 81158.54215 270569.8943 156054.0156 95438.46927 123076.2313 308923.2301 270024.2262 128372.3318 107028.7271 284588.6909 179057.1473 111244.8216 115458.5868 304692.5396 162743.311 92054.27935 125086.7248 203162.3251 249665.2239 75753.11563 77527.58863 307344.5965 261902.2879 77048.30967 115420.656 278181.8691 289999.507 98222.89203 117743.841 315226.0903 138159.8062 121159.9056 103099.6639 268070.0134 106529.088 81785.7999 130598.3143 142452.2255 Ala-Thr-Ala-Asp 62053.3247 53601.70131 29519.29185 144221.3202 129467.1145 68608.2834 57780.48738 114412.0949 122731.9951 62262.28161 40403.79616 127504.9435 123785.5871 60837.02214 85104.7868 129385.3852 62045.75121 74196.84156 87298.17049 96901.532 45600.21085 42413.39167 69204.87918 168373.4179 110073.9153 60256.63367 82761.98244 124536.2855 155226.7098 44588.81323 72747.33123 136256.3847 109303.5297 57725.90394 87646.7511 148178.3147 40319.62101 43598.92811 87386.56334 142162.51 47844.51836 66203.67478 74705.35466 119462.563 58316.89898 42910.38519 57550.59813 122607.7246 65696.97526 49440.26342 76618.99388 122666.6105 141353.1867 86359.88551 81754.74182 150499.6203 85291.92568 56847.29424 87298.1966 150452.0419 75297.57217 66149.66555 101215.5653 114221.2227 140405.9328 56566.24446 45337.89315 139276.0655 121731.1052 45314.27698 79764.93507 157620.5442 157502.8561 71716.56536 82423.15581 140942.623 62109.02784 64116.74142 102891.3624 144233.8075 47106.36302 47213.72353 78263.16134 78025.10656 PC(30:0) 1553864.786 1291826.34 1488996.156 953361.6653 1277075.384 1098919.709 1180063.568 703611.9123 1041498.378 1645672.613 1591570.221 764229.8302 738950.9244 1219410.882 1644616.973 724193.9696 1367044.085 1351680.908 1809324.4 920851.5178 1457693.844 1327867.517 2081128.83 895343.6754 943314.4323 1340702.893 2236321.312 589818.483 911576.6539 1226910.025 1129704.598 741002.0661 971555.8091 1552014.346 1476862.202 729926.4397 1443292.81 1106998.428 1190544.519 752219.5793 1195032.752 1365034.49 1538437.388 759512.9733 1512620.069 1233561.076 1458299.972 790410.3289 1692063.111 1053712.441 1210457.401 681946.1298 990677.4381 782075.8529 1911509.582 780503.7343 1591647.3 1419913.894 1508204.54 636470.9029 1486296.455 1296115.746 1472224.955 853324.0386 1792520.734 1041398.482 492796.5542 824434.3453 971351.7721 1375516.365 1296315.462 718463.6018 630533.4845 1022776.332 1056373.04 891037.0908 1482047.066 1048349.127 1642087.394 927475.3811 1658067.744 1127143.463 1337485.564 896515.3472 N-Sulfo-D-glucosamine 125019.976 137272.0378 28624.31993 50828.21584 123693.3251 126150.5033 31562.75771 60417.00741 126774.1456 81002.79933 28267.75554 63422.52176 159462.1278 44034.09202 36637.01783 59282.3652 89855.36137 26323.62232 33991.92204 39272.15551 145839.7875 133997.1934 39383.14229 61192.69619 120039.217 99238.84004 33758.27565 62103.65876 141254.762 69154.13447 38962.29437 60910.78847 132190.8125 36321.92644 36730.04273 79099.75824 114409.4303 35630.0521 40680.55127 71257.46912 72073.8759 27144.7595 24696.3572 35730.84776 105048.811 147986.9332 31466.17265 48181.71097 117231.2051 73613.88313 42296.48066 56088.06936 135255.134 45848.0166 40664.41151 67063.52181 134159.1279 41271.76862 32475.63609 79265.14085 80781.64595 31540.57451 22414.62491 35915.79063 136447.7112 142404.976 32870.00062 45957.39222 126544.2114 70071.94564 36475.64338 67548.45148 152797.8557 44644.93212 42528.72563 56021.89922 121585.4539 54145.94102 35652.55014 76392.97518 81024.24545 21203.70566 33008.92562 28607.18555 N,N-Dimethylglycine 326372.6967 325916.7712 317207.2649 439988.7128 319731.7794 333402.05 348726.2397 433668.4245 324034.1398 317538.27 277236.4322 412914.1086 315530.1652 325315.6917 327703.4885 360881.3503 310419.9361 392628.1701 407259.2765 370029.1194 361607.9156 369758.5708 396291.3149 467843.2159 285371.3806 350726.3034 341968.027 428567.5426 468908.489 326324.586 335824.1412 429042.8257 274891.9363 318015.3798 347711.0449 355716.0684 251984.0389 275305.0065 303062.7115 334348.7115 305877.5203 425298.7902 399980.1895 431073.7675 274283.6503 353514.2174 349576.3211 402664.9775 270476.318 383206.8904 352320.6201 401798.0717 308934.0239 356332.5138 429528.9246 432485.1858 253657.027 331957.3222 388845.0726 330049.1749 373710.1195 374148.4029 435028.4252 377020.3066 390367.5812 401545.8156 455471.4078 434734.8878 323905.4085 365069.6782 375253.2617 360884.1078 309702.5961 347586.5389 414668.9223 391463.3255 222762.2528 334647.7386 369817.5379 351253.158 344403.4332 397977.8432 371996.6252 302005.4649 N-Ribosylhistidine 75562.15606 80133.36093 52886.64005 123097.396 113155.6564 78745.67219 67796.62272 101366.7104 112982.9904 87095.55833 46168.10008 105346.8817 125427.994 76504.14416 93004.68986 107033.9027 90973.37544 88796.66811 99568.65749 89176.09179 76595.13352 54319.91032 88713.21223 129603.9854 107961.7537 77570.88209 84693.3793 120471.1035 134935.9416 59071.32191 71129.76054 100349.3709 125718.4939 66064.09065 82060.16816 105060.7626 55389.48522 56162.73279 79097.19473 99561.00545 92326.14469 88485.18636 105757.8459 95294.49871 65099.23859 74563.03018 54108.13127 115005.8812 76904.89376 76079.30266 86252.73353 117150.4343 161823.0496 81472.32508 68842.91629 105014.9561 107391.4567 70567.37114 79573.7612 95924.40735 93437.87504 85118.72846 82714.90866 93431.09512 139500.3021 58625.22533 68111.37002 106059.0523 126224.0816 63929.28979 76700.03211 99465.79369 135427.9659 72452.28027 95895.62789 133242.661 86679.03023 88330.73814 79932.48889 113097.6712 75072.00526 92612.84909 128217.6582 82395.77924 Asn-Asp 107299.5947 96452.98296 72649.70057 178845.6433 165592.4132 114606.8588 75728.37705 203167.8664 192649.5545 88738.36718 55161.77006 186944.5839 172514.5482 89981.7779 96468.91769 220758.9569 102545.1347 81012.08425 90669.81882 136974.6482 104795.2954 68683.81568 112582.2888 187739.3831 145621.303 90522.91898 106752.4972 201828.4508 177118.6111 78966.76353 94405.84193 190554.0685 184839.8074 82623.8057 95929.09656 205134.8043 76048.51193 87873.96964 118797.6197 212218.3634 91760.45553 81873.56952 96929.31964 149832.8573 104311.2278 83536.21912 69042.48581 157165.5135 98978.95719 85263.4047 115878.1836 173590.9952 173108.2679 98512.67497 127187.8633 216097.0567 119499.0277 44602.6729 114797.2697 164642.8362 115737.1599 73524.22123 88219.71709 155241.2848 165309.1476 77612.53651 70322.36724 188638.8652 165007.6136 84617.52222 106397.6906 192008.3764 183335.4595 80247.78696 104781.4498 224031.2665 100182.031 93228.00189 104061.4552 192983.351 94516.27106 60744.26735 102001.2552 99952.85265 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 1309220.029 647297.7726 616376.0708 920435.5719 379842.464 386912.856 845885.2409 821524.955 236312.3924 531218.9011 451820.5796 944493.3181 241789.7712 583447.5742 470905.3852 849548.325 653515.7401 323962.8583 477011.5134 554377.9533 1773721.84 738601.2662 762184.2137 1006740.294 300196.6026 568016.0701 686113.8962 802554.5358 249900.7582 516397.6989 424489.6822 853766.6167 282042.0801 627191.8362 427621.6025 854310.3809 1076994.313 770129.1181 292118.6959 684148.8359 809144.6465 480714.743 381939.4213 645760.0053 1285613.614 829307.3803 732513.0374 783652.6998 717229.3603 544558.6028 329294.1395 821332.1781 167220.8213 387373.3975 469993.2213 811365.3073 597795.3291 860849.2252 485672.3915 865937.5659 356977.3478 458654.0464 445640.9639 589555.577 596532.8182 736538.7246 160551.1916 906943.7216 283529.684 572457.2304 329805.4459 733441.9213 148982.8793 337600.4679 328074.1923 964283.3088 688633.884 652863.7065 329044.7958 740938.0462 993315.7534 678701.8103 395815.5142 721751.1991 Chelilutine 41488.596 111041.5401 146411.4518 60176.52873 86918.99805 81298.91646 118872.4833 67429.03439 99582.85529 121335.9846 102360.8476 47640.78012 126067.03 128331.6354 162179.4619 24395.05382 52212.09455 135070.9211 154892.963 57921.00159 42039.46822 100715.9388 179366.7885 51823.13998 90522.68615 171998.5687 180293.8342 60996.77149 142983.8258 112515.7154 134966.0759 47318.49894 61932.56859 87480.29024 141121.5795 50761.42385 57667.32551 90566.84593 158169.1081 74691.30787 48383.9714 105315.0483 230823.3348 45738.64981 65420.86882 70560.91922 125769.0653 61743.10191 70438.54793 119402.1984 129093.6171 32307.77834 250754.6207 295532.2609 105428.7984 72121.44722 85560.58074 95151.39317 182596.3842 28447.74403 82519.87753 96074.79769 120792.2132 60873.59596 67275.10419 80489.95436 139557.5412 60545.21337 110801.9749 95421.25934 141051.6439 30907.27133 144847.4943 231027.128 156056.8881 72349.44147 60380.20818 132723.0585 194575.9128 60520.60473 63743.11592 78258.60758 150887.4713 43293.32994 Hydroxybutyrylcarnitine 165167.6767 231406.5954 174712.9617 231509.3338 253639.4282 188040.5889 185356.0547 220837.039 324314.4477 193551.3149 162742.0896 204418.6569 327318.4429 199664.0774 251028.6233 195136.8596 288978.4829 345337.0181 392223.0592 583308.79 175879.508 185970.6198 241585.2909 337897.1479 236150.0553 193680.8177 211281.855 209390.025 298259.5412 158679.0553 197903.3531 200395.9071 312323.9017 190008.4141 244223.6439 240938.3968 181497.4883 153613.3649 213554.7382 229788.6968 289596.7663 319079.0092 396314.879 599556.7558 198504.817 189330.1358 177882.3581 243791.1999 203937.4902 163639.3073 251687.6349 199689.1737 337138.0166 195102.4786 214133.1681 217035.5417 222548.7529 173913.2569 251008.9214 217249.8725 294183.961 282843.5529 430179.5342 612339.9291 296744.8586 171202.0964 182540.7642 270569.8943 270641.3697 190234.5224 235735.3576 229544.8625 344628.3665 190019.1646 241473.0922 245077.4196 195511.1182 200747.8092 262517.2867 214779.5695 274147.6134 313741.4019 397281.4564 472392.7376 Ala-Pro 106738.5897 94857.20916 69256.04069 113320.5455 84339.61499 51651.85113 56200.46982 73286.7928 23772.27501 19799.13269 17672.53537 51183.3332 20517.15984 16605.66282 29281.73441 23032.65771 16729.44351 11744.49266 0 16090.28054 140836.0044 125441.5575 89208.02802 118479.5907 197833.0167 113093.2008 121930.3894 121625.2777 190142.0814 89581.70652 102086.6051 128821.8967 190433.5002 148740.7223 145406.5181 146969.4573 141982.455 144818.5201 166648.8976 190001.2809 7222.9187 8246.940831 15152.85872 17066.58784 107225.0681 85594.07645 76774.4661 128939.8437 46245.16264 35358.86246 47052.55152 57179.71907 33096.49899 33741.36341 45250.97603 24708.72545 19232.39359 24155.28578 20792.48492 25115.67411 12214.90742 11247.15175 21920.0184 11819.54193 175547.8698 86313.25424 74043.93067 119109.5787 69295.22607 42452.98957 47308.85264 78533.42965 52390.98837 51734.11425 33809.68039 24448.96011 19220.07283 37692.38311 22378.4722 17918.8058 14239.53182 12828.09811 12945.41324 14316.78585 NADPH 135805.6299 298493.4824 270569.8943 401899.2007 1157173.554 619612.5824 411475.9909 644635.0303 1541376.238 553517.7698 369156.2814 628065.9224 2021445.352 612789.7937 758237.3149 630722.706 995265.5891 812577.4123 752492.4937 980256.2262 121981.6569 369217.083 559453.6161 422953.9761 1750884.759 530490.5112 852783.5725 683656.5168 1468656.472 703332.5674 612414.0394 837381.5817 1510493.852 678014.9311 853479.2782 756598.4347 620336.7109 478948.2861 790181.8949 554579.6622 838191.9068 674380.699 819205.4609 1372444.724 224705.6075 304580.1462 302952.096 455003.2634 743883.9345 550976.7889 754483.9035 506633.2003 1498038.676 713924.5455 741923.6554 594186.4579 794280.692 539713.3347 844434.9316 387014.5931 1507593.34 744677.6523 757955.856 1205866.972 314809.4766 311352.7571 584487.3436 386102.8126 1437399.707 553283.4485 710361.9248 565031.6433 1763966.736 687808.1907 765293.2647 421308.3118 770266.2759 648465.7194 938987.6525 562536.2223 787389.5036 661977.1878 899789.677 704265.9731 N-Acetyl-D-mannosamine 430147.1367 203821.6289 173534.1104 298167.5446 761956.9445 226975.9905 219314.7088 359569.4572 868855.4874 224536.3384 173718.3698 285114.7326 905135.2906 228737.9135 327840.5214 331918.0858 575797.2135 374500.1243 425705.0606 618732.6663 447034.1456 187162.5136 287750.9535 393933.0031 711988.979 224637.3031 256535.9568 316755.2465 887965.5985 214813.6824 305464.9096 335452.1911 740014.1059 217548.934 295855.7681 356255.9941 363997.9827 173617.3752 304267.7855 316703.8799 557763.0489 335806.0071 417607.5164 716059.9613 437135.6333 188236.052 191188.0793 288502.4541 454091.7164 208729.3931 299784.8829 347571.7359 927396.8102 265347.3187 292356.9852 352703.7047 481412.0936 225081.0617 296138.0553 328351.2672 690429.342 307990.1885 420719.1011 653496.8063 685868.91 179833.2213 142885.5638 330423.8894 775060.2916 194068.3159 272696.6463 349243.1837 978951.7871 242177.9086 303141.9213 315113.8442 461493.9012 225995.9163 285313.2978 363733.4183 564440.8297 287882.7557 434201.4359 493896.5664 Ala-Asp-Asp-Cys 22096.08747 41282.36615 0 58195.53076 52400.8101 50491.17554 29720.59814 74119.90947 67145.70478 40173.46007 22799.24201 70348.32236 54372.69151 45887.02113 50115.06629 59767.96978 12183.34118 27521.66814 29683.16078 18602.75632 40719.47622 26760.1402 0 63607.20293 60079.99115 49797.33197 60196.51065 76325.48884 54744.85233 35825.42687 37095.03533 65664.83257 59018.07835 40312.9701 40896.95836 92813.95485 26752.70787 32234.22239 46499.5195 60802.3715 10936.79452 13723.20175 28267.41289 36474.80404 23422.25736 29265.40851 0 59990.97234 43334.56081 38174.94741 43725.12294 52306.09896 48652.10877 52557.05585 43949.75737 70615.22748 31567.63675 44795.29007 43794.83134 75746.85275 27706.17685 11854.56876 33614.97711 43137.17854 34025.95098 27305.05892 0 66785.55115 77105.47149 27415.7861 46101.69966 61286.51937 47459.93171 42937.10996 41927.6626 75213.5673 28076.39237 53655.00747 38338.93348 62261.2709 0 11556.29212 22031.61577 17839.75939 2-Hydroxy-cis-hex-2,4-dienoate 3642585.502 4126730.231 5358232.589 6617817.976 4182958.103 3144909.358 3765624.079 5606452.933 3654072.43 3673918.94 3002637.693 5085868.996 2440200.823 2375465.826 3364000.615 3143880.967 1631895.055 2680008.475 2976088.333 2852812.89 3898984.888 4837431.705 6147728.949 6502181.362 4149075.817 4794052.664 4770061.754 5537752.975 3575541.057 3054304.073 4007022.935 5028602.144 2041511.351 1724314.1 2851202.183 3431765.71 678629.1555 1424303.413 2304677.421 1904040.531 1461937.604 3096421.649 2687669.647 3033387.234 3170736.687 4219855.507 4414413.301 6542701.44 2659197.713 3279193.44 4113234.007 5409681.523 2139885.437 2539934.902 2772312.608 3483676.978 1197905.041 1776505.779 2885077.253 1852536.482 1740641.276 2806390.491 2377564.563 2868808.574 4417824.229 5190704.605 4749617.372 7437547.209 2894567.267 3170732.558 4322870.504 5008741.03 2546460.003 2816982.909 3461163.552 3474477.08 1068251.711 1969388.486 2471283.741 2385382.465 1480060.575 2734124.581 2581680.4 2303488.167 (S)-Lactate 95089.21117 117635.0016 107456.192 197992.2916 102529.2843 75954.67179 95785.88013 165582.557 90063.17671 100672.6577 75122.04883 138614.2154 56838.98003 58574.61176 95715.47084 70485.8558 39639.06922 61399.40635 70872.98822 30477.92249 89972.11981 116685.1768 157334.312 211538.9916 114316.5413 146013.6555 119311.792 111841.0345 104871.0694 58284.07159 105780.1466 147478.1632 55528.64709 44411.73348 62763.92029 86954.76219 11875.23813 26737.5824 45630.71099 44441.3015 33332.9365 55934.84271 50160.42028 63059.48198 86610.43881 114892.1504 110388.482 182656.8044 86938.02318 57669.17433 97205.98076 110410.0841 49354.84551 86499.14815 70432.34356 93526.12796 18860.52641 36661.59192 59210.50999 50872.28421 42237.7874 46368.84513 45432.43503 47448.80445 120766.4707 125398.4352 103585.6949 197613.8196 95566.35161 75209.78594 125186.6672 118465.0996 58990.86662 61479.90982 54477.08172 87014.3314 28602.40041 59435.88717 81333.73927 65520.89983 35267.04013 51249.50205 52192.35589 28283.53345 methiin 296527.2682 562840.1592 360381.2637 710084.4383 450891.9317 380868.0915 345374.9806 679018.6916 498866.9136 384241.461 364704.1788 660666.6201 520941.422 490924.8671 540293.817 699550.1732 226553.7558 193459.3368 262288.9027 236122.3956 312920.2139 529406.6756 436850.737 707227.0446 477019.9751 404024.547 443592.3248 673614.4243 653897.5351 409486.4366 518810.0615 780252.7761 579409.6272 530899.855 651053.9577 717608.4319 419034.8389 453007.2952 551301.0547 758043.6394 164415.1272 180772.2496 238097.2223 222734.4031 307630.6732 336565.4676 380209.4304 639913.0849 445619.3681 387731.4229 479243.8042 731330.4559 596232.8241 515922.0501 644190.9613 681348.4539 452394.2731 680526.2279 644234.348 764392.0832 147006.6766 193784.4569 264811.943 294365.7029 365149.169 422510.2765 323621.1338 722922.5882 477756.9173 466472.2935 461126.5967 604140.0078 503065.9488 488566.752 448304.234 778739.0136 438860.215 502483.8735 688863.0965 807649.6026 142119.9551 204109.4689 223308.6161 218472.7493 6-methyltetrahydropterin 446145.0637 457208.6621 507211.2044 535281.5933 799407.4749 693291.5611 559821.2699 338475.3643 395991.369 525654.5943 698436.6064 227537.6928 458252.1078 434548.4574 590000.8631 275060.9982 693712.7739 852167.1476 609822.4478 330018.7571 605689.2417 510389.5563 593663.2866 850373.4414 568138.627 584327.7533 579118.5961 256092.0892 713826.918 792919.0612 796086.9414 281574.5521 469373.2526 732469.8817 641510.3234 390663.5276 462905.2236 502878.6438 582481.5759 345739.7239 534621.0941 607013.1996 864315.3388 345957.8514 391961.0802 551248.2983 722828.4969 462823.8185 624004.9354 624413.0532 687798.9658 391887.4635 737702.5274 774255.6224 736461.4226 247114.0967 366088.6015 574455.8372 539069.8497 302795.2213 528478.1232 493534.7986 683113.1765 303418.7769 584924.3635 538416.354 875355.5091 602750.7967 547222.8289 568150.5314 444122.0413 320196.178 721887.283 555582.947 635623.566 308571.2311 389710.8449 644682.2439 780067.2695 273921.2643 634453.5126 641421.6584 926590.8315 270704.4227 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 166181.8781 193795.306 249234.9873 480939.4321 224285.6278 184238.52 153974.6485 509051.4405 223361.1739 255831.512 221675.3795 408978.7927 269483.352 209638.3331 260650.7515 517357.8269 105595.6523 252497.9225 158598.462 148173.947 127413.197 150988.8159 222685.0426 517039.1705 215513.5035 168784.0271 261226.5075 443651.9005 227647.2298 177342.1785 256303.4751 475465.8639 325353.531 193836.1143 290054.4535 523609.4654 150011.9019 178629.3871 262060.3612 496874.5953 92580.88484 106506.243 160644.0803 172894.4876 132536.102 156359.9337 159366.6196 423113.9537 158530.142 122695.0737 256920.6483 422641.6889 268359.532 194796.3531 240818.9723 481485.2876 233649.2142 211741.8536 270569.8943 471515.9243 158803.2242 110250.7466 147466.8375 189361.7523 179014.4663 148686.8675 232614.6444 506354.7339 232265.5503 159996.2753 242171.2957 403386.4219 240713.1362 181110.2513 270569.8943 472524.5947 164243.2431 249852.3116 324928.8956 554979.3554 96368.24439 98780.16017 192086.5313 130917.3787 N(alpha)-Benzyloxycarbonyl-L-leucine 33342.44953 42053.78851 32546.5284 66882.17357 51635.90691 40140.60503 45198.71409 51498.94709 43423.63282 33021.44627 50028.37353 50717.54125 45386.22025 37966.86596 47064.14525 59202.35961 57624.12931 74435.56776 66511.09873 116198.5079 47324.51991 39596.02139 54627.68925 53882.61552 48122.48619 37096.23749 38230.42878 57659.07723 49145.28774 40562.41064 51049.42384 68826.98598 41472.76503 30507.89913 56830.67817 59200.37906 36972.91102 34150.24836 46637.90546 57060.848 60771.94369 60804.04275 65373.87687 121652.2128 30955.59862 36812.38459 35822.31604 63735.8129 40836.48207 42273.85806 56020.84177 50086.67642 54576.10793 45839.28698 49210.9959 60173.53916 35754.38786 39056.98304 45686.35061 63760.63073 61150.4704 55548.56241 81002.34741 105739.1323 51452.64412 40295.70909 26975.78726 59242.3323 52516.29268 31938.21607 52389.08413 65280.31118 64431.52863 40778.0147 50391.0702 66455.76753 36415.90734 48688.75824 51995.21293 67269.19689 42791.86462 56782.79743 77668.94453 111346.5724 Urolithin B 18399.53736 83237.17226 46817.57921 71459.35341 0 97335.70823 40225.71716 89708.01603 0 95919.08174 48196.33878 79426.86042 0 83632.0658 52692.37439 87688.79653 32409.89787 67651.25571 42720.45732 89008.93623 31428.67915 129735.5087 52856.49131 78646.3752 0 112921.8266 41204.18398 104415.3434 0 110872.2821 65653.6125 97945.56585 0 62522.81067 66873.31184 84704.20815 66127.44231 56623.34705 57431.864 75435.68397 45934.95675 79291.35 52152.02614 93464.5802 15301.23154 110216.6555 57250.35025 66453.45297 0 107721.0061 53805.14185 88162.7538 0 77671.40496 49833.56766 98277.35949 56787.72638 71956.63894 49553.12968 96359.86715 40783.18148 62824.70146 66632.68916 79576.98357 19803.88382 108814.6783 63387.31349 67891.01596 0 87421.4649 72612.90681 103545.1651 0 83727.26276 54853.15369 86168.94671 49399.72017 63224.00511 59320.4016 85194.56674 56761.56598 70364.35531 53600.40766 75526.37902 Cerulenin 247903.9657 316792.9603 271034.8405 2426858.298 223248.2741 378750.5964 329731.8567 2581714.687 218406.9771 347692.4914 337239.6536 2066999.698 258294.1671 304506.6583 398042.0423 2624567.094 225330.9129 360172.0694 502403.8584 3076791.19 214965.9591 342309.2793 350743.902 2869463.045 227484.8937 293691.1827 328650.3899 2207551.947 260419.0056 281492.1568 396511.2753 2682081.372 200331.1763 350935.2921 432468.3848 2055640.574 254330.672 312917.7576 381100.3265 2525625.066 165725.2565 410095.967 385541.5174 3298474.022 194071.6019 295067.7394 416520.8432 2278087.029 254457.5056 349502.4745 407748.5965 2492278.857 258623.9565 281419.1238 402958.7556 2382436.984 205461.238 335141.7385 413746.5134 2605143.696 184662.0207 320074.5144 456744.5574 3213753.242 276877.0417 323239.681 395856.3371 2505719.718 257618.5895 242779.6475 431781.0602 2491472.204 255995.4915 339139.9359 496148.6066 2130478.048 215292.1606 424342.3409 545163.8558 2383091.123 190052.2589 382856.2074 650693.6257 2405449.606 Sanguinarine 53790.15466 41879.77852 50342.54955 99620.33014 79989.23282 39088.23966 42838.26822 87992.68607 88494.86959 52560.10353 46722.10966 106794.6768 111052.6807 50643.38158 62211.94804 120768.7552 35153.35886 69644.6255 81620.31308 87584.63915 42364.17349 33483.34754 73573.98018 126181.3813 86821.24329 43835.92541 67895.92592 78629.67604 83264.31822 47727.13875 84793.48409 91197.35714 96487.18186 42200.43693 79537.98535 94280.06653 37784.56266 39494.04776 98165.7053 95054.53555 50700.25775 59589.38376 87611.80962 80430.79668 47531.47511 41945.59819 53485.71933 89920.40223 53663.49997 46798.50673 103961.4001 101617.0445 86479.10011 65700.51908 103523.2793 92189.62817 67271.91696 50550.72053 98292.60469 99056.33002 70549.75227 46176.25933 85794.96639 96895.81692 112968.1759 47876.99762 35401.70699 100649.5493 90236.3639 36973.26463 88739.90215 128802.5306 117321.115 59701.42212 77799.02535 103562.7045 46034.54654 56579.04204 80279.03079 92247.57972 43372.41852 30125.9897 73498.10821 74507.50724 D-myo-Inositol 1,2-cyclic phosphate 1427196.612 843276.5505 693406.6513 810614.8057 2178124.129 970540.3853 758257.2255 626872.3468 1969622.775 447397.8651 297139.8673 583804.7264 1453103.134 595148.519 662251.3555 387694.6777 5752780.639 4800193.669 3214661.636 1715320.073 1256194.213 396008.34 1023435.915 842922.1079 2042133.403 894663.5835 951792.6177 609354.446 1916452.59 415023.9447 521964.2716 647195.7466 1209631.761 463329.3795 489143.4586 387839.7716 521139.8905 418123.6463 681097.3646 863871.5692 4810829.363 4708979.296 2628362.378 1817110.46 1459573.587 422947.7477 306292.1256 780467.1334 1160345.931 433429.9525 616405.0258 575387.2549 1314734.642 809624.3326 987642.828 846348.9755 724142.5725 496766.1756 879664.9974 684143.161 6098785.906 4630351.896 2657367.306 1714289.816 2110405.941 747823.3662 869825.8578 825903.2297 1840526.643 728213.3855 898424.3527 685647.3428 1373655.6 599147.1515 601401.3665 354046.9714 577951.8089 606951.1212 696516.4067 372483.8755 4670249.492 3987118.642 2978038.548 1312047.425 Lys-Thr-Val 67764.32317 92378.34353 87916.00697 128212.8204 99387.84159 113113.3047 89089.22947 128187.8791 97420.42567 91320.66034 59826.78089 134283.8647 88353.44638 88970.24494 121291.9523 127405.8702 36790.8688 88413.47023 112298.1311 61721.94204 73076.52169 76350.17141 115772.7322 161834.2021 76350.43166 90907.64374 102507.1778 124169.2071 96458.05464 73484.40418 114216.8962 144381.2561 83494.79693 73249.87787 124480.2895 142225.9686 49858.02484 85950.89201 116751.2172 163713.1095 30373.57211 72081.86608 102507.5774 65691.43843 67558.48424 81540.59361 88716.74099 121951.3981 61776.097 94758.62859 140716.4134 140430.996 101105.9895 105000.4769 118921.4024 164243.6167 71226.16163 80488.47205 124799.0775 140384.7792 46232.80454 70998.59573 91391.42541 78518.76705 101901.2533 81893.62767 70653.64593 134778.9271 88526.53884 72689.64645 111403.0936 131122.5026 132050.8436 93139.6174 120846.1859 139159.5838 64326.02147 83487.65731 119337.2554 150390.3535 47673.20032 65914.40249 96992.06599 53837.70912 4-Aminobutanal 293110.0087 298479.428 106180.0823 219605.5144 340047.4794 376804.1354 309090.9032 558123.5119 370799.6285 294740.5942 275932.6917 536951.2003 470919.5424 346194.189 382334.3619 566620.5034 286257.5686 112668.902 248198.0575 155867.4404 336275.1078 392873.6966 373376.4059 553791.1098 377911.2231 316546.6336 337642.1571 492204.3807 471194.4986 328190.81 388306.4351 609275.688 425323.6059 337286.4606 422882.9792 446673.8339 339843.0697 363322.0493 370194.0061 615635.4839 177153.6893 198881.296 207665.455 226902.3759 297847.3375 325145.9092 294279.3112 464265.3494 299334.8064 323776.1774 317819.4089 431020.0177 535402.3797 369329.8491 397050.099 621348.5905 380065.4371 331627.1669 371915.4943 575683.9863 173241.8833 182599.8392 263495.212 216907.5291 379728.1079 408255.7909 343568.614 509497.7574 381108.855 283637.8699 309504.8953 564056.5628 550630.1743 366959.2533 372953.5927 458193.0223 329401.7063 328598.0486 430397.5879 455000.9541 180572.2032 185197.2243 224849.3887 152629.3062 Otonecine 456168.0323 282027.639 277201.7391 424557.0401 594578.8633 306799.4372 307011.4768 424631.5687 667081.6119 277364.1322 258055.6694 326424.6544 658409.0278 280850.9969 374838.2517 420573.2223 536869.9523 432057.4591 475358.5702 749213.7168 455856.3645 260564.5784 302951.7891 544066.2911 558931.9137 289139.6257 286910.9954 406282.4795 563660.319 265179.5275 415264.1045 386078.2285 541620.1446 257096.6118 362149.9587 398054.1071 412880.0011 245719.9833 351883.917 374214.5681 633711.0113 422410.3871 476427.5982 792811.1017 350149.1377 260340.9746 265212.1271 416057.0928 412030.4334 272816.7403 336238.0726 366662.5611 700862.5185 333711.566 350679.1636 457105.2282 460707.2137 282748.7818 390309.1094 448572.3774 684763.9287 416929.1327 500607.7934 687690.5186 585355.5262 259656.6547 270569.8943 440480.9929 626719.2425 232711.5172 326092.3244 384086.6755 741051.6514 291559.8223 379800.8552 416328.9695 414808.0631 333264.0792 354194.889 428593.705 523780.4107 380908.8476 494729.884 673350.4429 5'-Methylthioadenosine 360196.9525 519165.5992 234627.984 538611.4045 671380.4327 936369.26 369582.0677 830035.2137 776585.0116 933911.8104 465655.1393 607916.8797 991090.4469 1098873.616 784221.3866 940659.9689 647469.1187 689673.568 538023.3764 840663.3876 391532.3308 592084.4337 312438.6779 741713.4196 780982.8693 940503.1048 465270.505 741077.5272 873724.9188 931588.8697 729737.6813 709311.6096 791877.1359 1103732.456 808490.4578 1039382.156 698064.0007 902169.1103 915015.0672 927801.2519 668566.2537 751373.6653 527409.2273 712981.4152 315942.3548 529281.7607 223881.1737 643525.4 514863.524 1194636.166 676904.1954 739396.694 1299601.983 1294464.071 748876.906 1020107.872 834922.1822 1363870.44 890947.437 858911.6332 716804.9996 640193.6482 632092.7422 955432.0079 625029.58 696314.1927 214231.3035 844476.5927 771981.0633 847748.1242 685341.0079 885032.4099 1311372.452 1454911.121 877813.34 1356720.924 777516.8442 1425623.383 1158110.417 952132.8001 600092.8356 620556.8871 617022.122 820587.6692 Ginkgotoxin 0 108503.9557 129886.571 148779.2571 208574.2918 115705.138 122369.5014 123644.31 213955.9705 239577.7479 171554.2816 70070.82425 205055.6309 146678.0062 215988.771 98342.67007 61616.01032 162590.6581 226077.2425 93943.55771 0 104329.2524 154123.6587 180393.975 194703.1082 93211.9377 131725.28 130019.9105 158165.976 143821.6909 242373.8508 124479.2693 158884.7197 203805.272 189562.5259 159131.6129 110731.8155 134607.4117 190047.7789 95111.46785 131062.0711 108488.1023 189221.032 188529.9142 0 112534.0614 126503.7362 135709.6465 113669.5809 144711.8157 183699.4374 116743.9316 244748.2802 166650.4541 209108.172 91127.12859 172003.9863 214037.9075 204597.3368 144795.8733 177415.5043 140319.1244 205594.3556 143369.949 121989.6972 114328.2417 127666.5686 103065.2468 191169.1025 180786.6561 242134.0863 123255.2347 156528.2984 151389.6652 244995.9842 78786.67219 106695.1861 134029.9319 215816.164 61547.89344 94706.15492 82432.03701 180600.0556 116210.0951 Biotin amide 270008.7421 219368.1193 236983.4111 629394.4149 455272.3922 199830.4487 217997.729 540890.6881 531144.3216 225652.591 196462.8355 552676.9123 485276.4053 226809.5985 299189.5096 585245.2595 405585.4948 335043.9381 309228.0015 573311.3058 426156.4134 229603.0801 310072.0249 588124.8457 432929.8955 195598.5042 241552.5233 532489.0649 473381.4122 316056.6775 253739.9197 510983.9808 462420.6206 193396.7526 302616.5436 445292.2949 339141.8204 270569.8943 265867.846 587200.3565 379913.4208 293979.1918 298688.2739 582109.7943 275418.8046 174673.5316 225757.2915 610266.0411 393378.5909 301564.9884 281905.2175 478909.9924 719298.4911 311022.5098 296888.5068 573318.5008 375618.8395 264231.2617 239920.1229 630520.0662 440874.8457 247400.0742 301797.8355 507256.3288 475352.5053 184431.0913 224251.7741 606474.9917 503794.9421 223744.0903 317884.7359 659554.6403 537545.7479 274218.994 325643.3609 632016.6361 438764.9805 214480.1963 309052.5401 606032.4953 376843.5829 223880.533 270569.8943 483966.4282 N-Gluconyl ethanolamine 92554.98895 98408.26086 70580.55735 111428.2253 39776.18929 96101.70887 72397.45815 109042.6668 90393.75204 97632.12505 83496.52612 97359.71164 50914.10059 72280.12884 95035.89933 112290.8245 38498.2167 67448.4179 87924.00256 67083.6561 68695.85086 92942.55846 88964.36865 94332.04811 53142.03793 75083.84332 72507.8664 112204.3351 89918.85561 67466.09493 96349.54468 110851.3658 52895.16896 94475.77592 92438.6778 110547.4357 68506.07334 73531.35189 57597.06844 81903.87177 32962.07294 43707.60958 46874.74558 73798.45654 54346.65239 84983.90186 73241.17733 70389.83647 66493.4947 69173.06648 80959.43498 132575.8428 83253.87094 74497.28172 83585.25733 103863.9548 62457.63202 74071.19499 85963.3918 107541.298 66231.62672 91729.20133 71665.58673 101973.1628 100856.0275 82445.73789 61656.04405 104729.9798 45518.81872 69070.70373 89896.09695 104197.2967 65066.38917 60173.02504 114157.3768 120864.422 37194.26998 73168.13419 84168.58066 91357.97307 37815.86914 44187.9287 116225.7093 70986.05603 SM(d36:1) 2559375.796 2470700.284 2195286.894 2685328.734 1425884.689 2319188.415 2208108.219 2887835.807 1837632.418 2232618.384 2407900.635 2736436.591 1827593.472 2060684.599 4208635.497 2362215.571 4330304.367 2408214.247 4636619.848 2627077.716 3050388.648 2890970.063 3931401.067 2326115.346 1530410.375 2334719.883 3964628.404 2384109.221 1754262.716 2198356.295 1806575.512 2384535.84 1704963.999 2066598.571 3825980.526 2483060.589 4024630.507 2174869.038 3127270.983 2372769.348 2642846.872 2407852.038 3704527.799 2229676.835 2719164.953 2574017.333 2176368.728 2619780.594 2688522.08 1992237.442 3150528.117 2351601.232 1599160.821 1825637.558 3393198.828 2458672.293 2472736.27 2084038.293 4193805.49 2404865.854 2004701.248 2498610.172 3357106.252 2129713.023 2468756.63 2231391.731 4702942.434 2434649.578 1867220.459 2266891.579 2370314.67 2484725.689 1848305.227 1755423.162 2137259.288 2586573.106 2087181.692 2244722.385 3682193.608 2559149.921 4283018.937 2862319.927 4131533.045 2191310.544 Asp-Arg 66315.43317 45627.64404 35388.61796 122117.3148 94788.79071 47226.39626 41972.47737 134768.908 115829.5173 50221.62297 35196.15182 123542.8137 124067.1534 53798.04567 68359.15818 133546.0558 55251.53729 41732.26901 49911.80457 118191.6839 58878.83887 34421.7554 58792.49013 136742.0955 105234.5377 40097.25069 55943.63345 107164.6462 118041.036 39837.37971 50535.34732 106808.6367 113884.7652 47743.82381 59210.25911 112910.9385 41057.38441 49307.90669 64489.61904 111860.817 53020.3115 41184.26215 52467.97392 128942.2973 57059.35092 36057.59622 34966.53187 108733.1389 67031.06422 53795.96965 73817.04898 114402.5843 117148.0782 58865.972 57490.1223 132931.2418 88531.67649 50040.842 57549.96096 126286.8738 70093.33973 43245.96822 54385.39897 110415.6403 102213.9408 39849.26101 32614.36935 141702.0385 109674.5818 33673.91473 51641.39374 117455.6026 127445.9226 52490.35948 63110.6364 125724.8101 60674.82373 60516.78613 68188.54146 130586.6724 56451.70162 37348.42301 44261.4308 86306.60005 D-Erythrose 4-phosphate 921759.5846 561719.9249 1005026.101 1090645.736 1714092.267 815299.8361 912592.6891 1025061.019 2149524.803 1546069.93 1153561.443 1371248.392 2053605.545 1244510.524 1769061.08 1061786.683 1127987.278 1664210.21 2224503.939 1186383.261 500529.3834 405428.1118 1357680.452 1204303.604 1568674.836 704391.5265 1156353.207 1085781.274 1817523.483 1158043.412 1362549.584 1399764.638 1527372.085 849431.523 1780478.617 1008306.753 457544.4191 612646.5597 1665643.627 641046.2936 1408883.281 1675316.112 1875722.054 1828823.647 653651.5529 459679.0836 871719.8984 867679.5534 986054.6782 1092890.753 1583439.781 1321177.856 1895657.961 1133762.97 1568526.841 825857.6687 915245.5326 1043488.06 1909128.31 555496.5464 1734703.256 1547485.099 1789656.766 1841274.413 1352667.362 535721.3778 557079.1507 983093.8461 1846219.257 942596.47 1717482.662 1446239.408 1492413.839 1259459.164 2040853.284 845809.9207 836928.1462 1238178.419 1796299.449 666428.6942 1057215.807 1074849.658 1794378.805 1042571.333 SM(d33:1) 2466873.43 1795827.531 1980907.405 2620653.767 1779404.731 2326705.614 1782434.315 2533343.154 2032454.623 2012575.764 1959131.042 2461160.172 2060377.339 2374925.642 4055174.984 2344582.554 5497010.213 1880768.224 3029246.036 2027063.771 3103498.208 2370355.785 3414235.213 2203345.718 1820759.791 1948718.36 3599779.933 2295695.222 2185548.27 2501523.464 2293638.771 2324587.441 1961312.304 1950912.786 3328707.504 2671322.845 5143897.493 1916079.264 3785433.417 2353463.945 3127924.24 1718988.613 2704845.562 1577119.304 2899297.513 2067119.608 1699212.96 2426667.269 2541935.271 1904005.035 2997720.654 2382115.163 2206041.408 2727142.476 3436307.867 2468411.837 2552329.1 1954507.844 3892150.377 2279443.95 2092701.743 1744376.162 2926105.626 1634914.959 2789731.768 1968960.143 5670579.619 2245501.933 1749936.425 1972613.425 2403176.314 2330888.726 2297360.209 3040246.08 3226436.101 2479149.766 2457092.595 2121357.59 3989403.898 2388038.431 4761047.637 2064355.364 3200859.332 2026312.491 a Cysteine adduct 105576.1449 348325.6437 751810.6289 0 110897.9604 355535.3431 716671.3739 0 43071.11977 177217.5404 418745.5856 0 0 86320.0215 380856.8285 0 67383.79345 836088.2865 2136237.427 708216.9731 87209.70453 274936.5458 1091416.214 0 152463.3397 293485.6227 1143624.156 0 95331.78336 155375.5206 631970.7765 0 0 84049.64349 434379.1376 0 0 0 208529.0133 0 86046.18353 735956.6145 2755262.573 916631.1102 91457.42353 264080.3795 833882.1667 0 28160.13394 148937.6914 611838.2256 0 0 106505.7484 306597.9126 0 0 58099.88631 208945.2182 0 103519.7401 713930.111 2093533.698 785108.2772 188060.8035 299937.6515 906233.627 0 93094.19781 181849.4231 573371.8842 0 0 100834.4738 389010.4964 0 0 66602.84547 210683.6236 0 68976.44245 695312.1466 2203445.428 691036.4646 Lycomarasmine B 62403.25273 42198.86751 33211.25595 110290.1444 83197.48071 46334.28962 34200.43623 118544.343 93007.30022 47226.05924 28790.3744 110260.7679 93040.93311 39031.67239 53362.42517 122868.0921 83506.03228 44846.72688 52539.05704 91598.15169 59495.43016 36039.34772 49428.93503 110799.4608 85038.13234 48965.13666 45980.36182 102800.4793 102463.9898 35474.10192 42477.15569 131822.0978 86701.43714 41764.74518 52933.93174 127130.9691 43509.54024 43771.85731 42340.39472 102282.592 65132.89385 39601.16998 43578.53949 96993.61342 57125.7111 30596.83672 29742.29491 89200.34793 60037.34748 47849.85548 42388.67577 108196.1315 98750.44863 54596.58688 48217.9565 116007.0453 61981.72662 43126.37475 33415.03729 137126.2318 60649.1799 39902.43569 46129.52228 107090.4786 101319.8369 42021.22174 29728.55058 115822.3952 80645.60889 34703.04891 47686.37121 107834.5442 95229.50649 46279.18351 44722.83461 113172.1824 54480.39721 44208.88414 48353.73751 106275.6816 55510.09568 29416.27894 41347.58499 77363.71678 1,4-Lactone 111359.4213 144144.1992 172097.3441 186635.4834 127240.4477 105128.2777 117113.0899 188547.0331 117569.3052 111783.0673 95535.61478 156095.9342 81546.67882 86347.18107 108365.8601 109866.384 62207.68983 125190.4183 134541.7698 131611.6662 126798.1902 141100.0376 209751.5581 173635.2471 117735.2152 160312.1364 139828.2122 149786.895 124414.176 90383.23444 162032.4963 132532.9416 70445.16706 64700.23547 113033.8264 85601.56328 31195.28721 50311.13242 75953.36832 69860.40141 64054.93735 112723.9762 125340.9379 157800.9387 86433.93037 149735.0729 130947.5596 168357.6799 86871.70552 94669.89878 136860.5556 166309.4795 82988.8341 83587.38733 101046.2883 122976.2121 49115.75507 70747.50232 89131.57533 74605.03616 70399.12026 126552.3102 114415.8254 171907.5545 122621.4245 118463.2767 145719.7739 195844.9195 106833.1714 96839.1087 137701.8297 140759.3853 74856.25518 98542.30962 110935.411 105401.9037 38110.87937 80588.72557 81045.4487 85908.09977 58930.186 137821.633 124909.5074 113662.4959 [SP] Sphinganine-1-phosphate 285972.5969 331821.0815 267944.6378 94243.46527 198092.8386 258845.4544 254262.0332 62172.04286 233562.6153 244771.9074 205832.2204 52982.54479 330093.4727 266575.1292 331282.2475 127218.574 996225.4034 231092.1547 258656.6992 270569.8943 318006.2282 359838.3381 382090.4361 56867.70911 185818.8717 247217.2803 316492.9149 0 229898.5118 207817.6485 209226.2068 0 321534.6665 224036.7199 298394.6976 102245.7387 762967.9777 288274.1254 318530.1843 118096.0045 1108672.814 204620.6389 251764.8305 220592.3292 216605.4349 368045.2589 282087.703 38579.74694 298667.0111 319495.4476 343786.2966 52264.25731 392559.685 341885.1909 319266.1738 73191.43225 594043.0789 248055.0289 344905.6417 130754.6947 933504.8692 195768.4494 217304.491 270569.8943 282234.3933 366372.2649 0 100725.1395 230416.2617 218401.2932 246856.3553 0 380088.299 310408.4068 290759.8349 59510.32717 539476.8635 317508.2153 505347.5184 141392.2257 1253044.378 232772.6697 248910.5332 216140.1074 Nicotinamide 1554978.918 1625268.214 762806.0145 1691952.493 2375280.214 1975295.541 1293264.834 1866005.3 2252636.382 1840164.27 880619.8638 1619684.947 2365963.572 2328984.627 1687376.398 1653988.093 2146932.091 2122790.838 1476367.967 1498873.352 1454436.186 2448013.357 1074335.524 1821280.747 2745378.64 1625279.339 1058438.521 1676229.729 2901307.208 2309191.993 2180544.587 1864006.504 2888217.795 1711866.207 1977275.862 2154081.87 1378009.463 1630142.982 2767204.388 2600516.937 3437160.873 1922223.05 1898200.137 2172932.876 1190225.718 1339601.227 1030396.036 1738158.422 1309171.415 2118113.73 1794087.205 1450988.057 2571572.015 2793367.622 1900265.852 2890845.707 1691100.697 2026281.034 2120675.301 2274883.384 1417428.299 1585110.59 1810976.295 1747328.618 3954695.222 2099154.979 1618742.087 1720992.674 2722586.549 1464850.073 2103838.422 1884812.658 2857096.095 3595826.551 2574607.193 2037999.606 1571125.21 3388870.114 2402119.314 2206483.018 1648990.939 1451263.967 1990837.506 1349716.94 Formyl-N-acetyl-5-methoxykynurenamine 0 94431.1283 166217.019 0 71677.99871 103437.2658 175263.2529 0 60967.35194 42047.11172 137886.863 0 51618.65745 87684.97049 133061.5753 0 80493.83151 842066.325 716912.0816 612389.1192 0 108150.328 231961.8018 0 67196.6367 40871.75544 204139.1576 0 74943.89812 94774.33023 210225.7938 0 31920.35548 55968.95271 148272.4976 0 0 41205.97674 112152.7979 0 54200.73381 539074.0563 661925.3057 955955.0643 0 136212.5689 151337.9786 0 0 71502.30669 177858.3248 0 63411.35584 102501.2069 145454.2654 0 0 0 65590.08793 0 167374.6392 574188.4625 936665.4452 656869.9052 30728.68216 62707.37496 126298.1605 0 50784.33825 135102.0788 173494.8002 0 51277.68359 96407.94426 129977.8601 0 0 53885.0957 98597.84429 0 38346.71482 525363.1206 810869.8403 276875.155 Tetrapentylammonium 663906.2483 436273.2535 229924.5347 90618.86519 231393.6638 1581401.498 311973.8644 54718.10871 152762.669 445336.6562 417008.1379 47824.09881 98130.20981 417697.1745 321320.1788 127419.9222 65650.37448 156205.4366 229827.2633 34652.16108 304701.7994 979221.2425 228273.0875 85491.06406 69727.69954 356203.5778 279170.0047 129990.2529 104933.8254 307340.7815 1430496.71 35631.53852 184233.4657 631726.9388 504142.7455 136874.9913 459879.2202 643507.4358 141527.4463 139795.9874 58619.92756 174212.0829 119476.1641 0 377005.8139 318661.5475 328678.0956 102750.9188 214266.1724 647494.3395 246962.193 692992.5148 154988.7576 358951.1337 616088.5919 147023.9058 235421.9079 464093.7188 288150.7167 91163.63692 259796.8172 86576.31065 270569.8943 0 262229.1304 301285.6092 403657.2894 168109.7446 59679.87529 498880.0114 373714.2232 131505.7983 54751.90507 281002.8558 158070.5772 132219.0153 366978.867 359446.0254 127988.5227 147770.3491 260581.7164 256640.4697 102299.2456 102161.4871 N4-Acetylaminobutanal 82350.50974 50350.65609 45992.19513 53633.20651 109218.0455 86172.05015 65614.01074 35054.97674 106374.2232 74054.43791 84610.14445 27134.46543 54632.76142 87234.43888 50359.76487 49441.40778 44085.00778 83086.99436 68276.4573 56469.41619 110157.7813 70245.31555 69002.73346 68401.75735 65067.82808 74735.86914 39445.44085 57509.21572 113258.306 44203.33048 101871.4696 78804.39985 132871.3168 60375.77599 214059.6048 46829.0506 44976.31184 49576.87809 77425.90722 62221.53898 69111.4193 58005.83885 71589.57024 71996.52587 53226.0116 83289.48092 56183.55229 54381.40027 54785.34706 47242.74978 64736.02102 56570.91548 101582.9332 78288.38146 104930.1595 51592.22714 100540.4941 66336.77293 104425.122 59123.08755 47412.54833 36974.60379 77427.82388 43444.75589 141181.4499 76985.92196 51405.07798 76030.04968 43327.87144 24118.108 93013.86744 59988.19573 180393.3544 71221.91727 76488.90002 53754.74701 54840.34399 50042.86138 94364.81414 56518.00455 51269.12871 46085.40432 111913.2084 68782.7091 Inosine 525824.2055 482794.5258 346031.7617 347767.0822 595545.26 408859.6825 395302.3018 378476.7462 656227.9599 480388.7145 298298.5948 413034.1743 575078.385 456317.6297 480554.6448 412944.5074 743804.5846 1010291.056 666563.9992 592718.2608 805025.8912 493243.5722 395252.5659 484638.5496 930445.581 386681.5941 488135.7834 377101.3336 908038.5754 386833.1667 540385.5232 492291.3463 617957.5189 486712.744 502403.5439 530347.7982 401300.2188 356609.9651 496973.1818 419477.8505 1033113.652 1097039.36 740471.2804 774683.6045 512459.8245 465755.5333 329063.6925 346971.8572 387303.4765 451865.3894 413457.8913 414905.007 669203.4255 569611.2309 475106.7693 494853.8599 513538.9207 366035.56 450676.9651 397379.8744 1009509.072 795187.8858 627432.781 569595.5012 914632.0939 503307.2678 308305.4321 392379.5096 701661.1848 345845.3322 447763.7038 468003.4927 834426.5873 522185.4044 528790.2673 545521.7093 418621.2515 480101.6479 555390.8343 343372.2968 855007.5679 890845.3413 719323.5915 671999.5246 N-Lignoceroylsphingosine 278270.7608 261483.9888 114253.7093 605592.3894 59167.55431 72513.32276 106908.1456 562207.6603 45168.84082 125070.5633 178126.1309 588158.9957 31182.75688 56048.40374 227369.405 573366.152 49679.63341 42235.22572 181884.314 307698.0231 214136.9742 288847.6919 207335.0405 592249.9322 56718.80245 258475.9738 151864.0674 483184.1038 32287.162 51387.73741 148063.1794 552279.9418 61301.61935 102165.7087 203715.9705 458405.2671 125732.725 229139.792 88369.04076 445607.7387 77731.17445 101093.4813 169459.5599 410302.3369 129221.4834 352789.3445 128400.7383 416134.4777 111772.4325 86457.28815 112021.5245 509428.4469 19175.19273 48301.98659 242420.0229 573025.3047 98547.6857 99172.81469 169379.5165 570896.0511 75526.71275 89394.10683 210061.4402 367299.8615 151987.5431 412939.6677 31777.59552 507909.9388 68527.41083 213697.5884 125224.4052 542052.9093 14518.3756 23199.2658 92572.09486 553610.5936 93818.55425 48801.10476 146352.4004 494773.2029 70611.29406 178595.7455 192778.4286 293086.5434 L-Glutamate 5-semialdehyde 43767514.92 36223017.29 32168539.79 42634383.89 69214980.44 42635546.53 35773126.71 40890422.29 64285819.43 40234466.39 32583353.81 40841216.81 65353368.35 42602371.84 48165123.79 44638773.37 38340269.26 39469634.95 43816298.75 42135222.6 40867226.6 35157472.6 38077325.73 40928836.1 71591012.3 45162148.42 42939117.25 39276995.41 74304399.17 35918803.03 50944101.53 41947917.04 65317535.03 40675177.24 54634949.68 46094598.35 35927546.79 38731154.78 53297109.33 43454853.69 44039700.14 39638877.74 50090669.52 52772364.87 38534602.76 41050664.34 35852106.79 65126.36304 45108825.25 34681698.05 48924130.34 41590288.51 73585046.16 45944613.89 52339892.29 50730533.44 48476492.41 41611092.75 49002144.03 42608718.04 45964028.85 38341030.18 47914661.47 48133566.24 61944399.41 31434105.56 34481184.23 41153018.27 61667401.4 38488481.92 52346916.3 43243912.37 67167907.53 40338893.79 49819840.31 43405762.92 43192317.44 42752528.12 54897943.75 41820262.04 37874038.11 36509025.68 45159132.61 37515396.53 4-amino-4-deoxy-L-arabinose 53992.14225 24087.36752 17940.32788 0 64634.65588 14007.81411 10608.46832 0 84133.62434 22632.67137 11253.4064 0 65495.44122 23227.73768 21914.9903 0 108377.7182 61890.68097 65535.12651 97319.01084 51542.3325 23852.68391 23032.42493 0 66357.97865 12810.11761 22931.58922 0 76627.9362 12760.95846 28765.77961 0 58673.4178 20644.04808 25062.47781 0 32442.74388 20089.4863 22129.56771 0 88740.26088 49473.50763 75184.42117 79971.0673 49229.09414 12126.28319 9427.965279 0 47411.32162 26064.10562 24717.15063 0 70851.13653 11827.0685 13564.54825 0 39416.76116 11661.78905 14987.7889 0 124637.6877 57946.1768 66205.94921 75705.45965 68866.98518 12831.84659 9501.05866 0 70157.64928 12541.61348 31038.42062 0 83458.65047 14296.82071 23682.43661 0 49756.35731 10895.2426 13157.7304 0 102694.1391 51204.99874 65521.7611 63873.7928 PS(34:0) 327919.726 324901.7028 304614.2497 847572.3904 229229.3455 399350.5881 337529.2918 565039.4791 280123.3373 280212.3241 238822.0985 623153.4898 240717.7495 389168.8395 598382.9815 604614.1706 253227.8934 260801.3875 402234.9557 380730.2842 322987.0807 328096.8928 383902.6041 938067.563 310207.5738 289227.3882 497894.7459 646999.2229 210777.5746 425061.0468 335134.1746 519647.3393 301395.6318 470383.2671 391685.9164 486307.4232 413682.7572 398047.9632 314447.3155 560230.4286 179649.0997 212165.5719 322670.7759 381010.2812 257932.5082 311537.8231 297391.8008 604536.1324 272980.3437 367586.6584 357944.5936 459798.7862 191459.7798 337489.5068 484977.3741 532887.8809 245650.9808 410243.2592 499432.6323 569491.2805 90440.6237 236077.5367 407239.4135 407348.4705 270569.8943 284084.4108 232498.0337 754729.7612 205060.2168 345977.4497 351571.5939 565485.3556 194325.4968 338772.2261 337035.4208 661551.4501 246579.2718 415505.6421 323098.4004 623928.4973 169256.4083 283173.9611 273330.2353 278741.4983 [FA (5:2)] 2,4-pentadienoic acid 249060.9827 480147.8294 508078.2987 600941.8995 346709.9148 307915.0417 331848.1084 442215.0544 321651.3758 357482.5706 316272.9247 448251.4988 221691.6227 266550.963 314169.0722 273774.9429 175965.56 430092.6898 516167.6644 592240.9826 305734.7224 381302.9387 584957.5805 555397.6835 303635.687 459181.5781 463638.7709 452863.1492 404569.716 317408.3096 488762.7765 392278.075 181263.2046 241662.216 283458.5577 288761.8745 89312.69304 212715.998 266096.8441 177756.6348 164032.3695 459324.1886 461782.1924 673352.1217 260166.6092 332971.9128 456186.9046 300918.449 220015.8523 303105.1045 477133.9511 397734.5175 200155.7363 297277.0133 307889.7085 276445.3933 137495.504 232355.9173 271634.4311 180994.2639 182590.7455 425176.6717 503906.7547 571175.0624 380827.9511 392778.1053 53015.80397 568255.4024 268980.8082 330076.4422 421994.5283 409813.345 175345.1679 364769.9059 314674.3467 298945.7602 111933.0772 203270.9058 308623.8135 223810.5028 172107.3354 448902.8036 433599.7717 443949.1239 Homostachydrine 130105.3786 115890.0294 47366.48388 141363.2099 139138.9354 100619.2428 108040.4436 124677.4533 191670.1266 98073.16282 85040.12075 54700.70619 209877.0805 111416.9574 102844.5778 89688.7168 179501.2828 150258.3347 184503.1962 295225.5831 149603.7635 134801.5958 95189.94601 148307.5594 188583.3122 115291.5718 101307.5742 68022.0214 158884.3339 127689.0973 150337.512 66259.82218 85605.4123 97912.86409 121923.0477 194515.8277 92025.55389 51037.52663 127674.4914 158092.1015 183870.8658 150970.5793 148660.878 274469.9239 69647.87037 82788.16697 124887.6151 93977.25995 131822.7327 80437.61879 109310.2918 84475.62105 148363.2777 83575.27391 144053.1005 84279.46376 135341.232 100830.478 166029.6927 170345.5938 212694.7007 148160.7517 159487.4391 309391.374 171093.1921 131803.1613 92883.04254 99941.57759 162967.9297 87266.01222 112960.5254 132798.1897 131605.9381 102264.4772 83525.44449 113542.9942 119570.8401 71939.58019 127732.4433 61150.72023 175557.7274 133602.4757 200366.3188 244552.9711 SM(d34:1) 24487647.59 18388443.03 18996647.98 21368807.42 15515304.34 20550946.89 18430779.28 21556889.29 17909539.14 17625649.27 18422960.58 21933246.06 18547538.42 20995008.71 42529716.25 20026619.5 55170153.69 23422432.24 11553993.59 19355402.61 30166331.85 23710853.61 37308949.2 19321734.81 16294969.22 19260328 40080744.06 19082691.16 19983380.08 23280705.66 19276146.52 19953102.13 18143759.73 19534232.73 34767695.25 22354494.59 44310641.04 15791672.55 32376748.66 20278931.72 29201951.7 22176136.28 32446043.03 16780852.71 20482356.42 21793751.57 17218446.03 20456531.19 22639846.01 18700915.62 30511823.22 19007720.95 17511135.82 22481636.31 33901975.69 21249393.25 20452380.1 19107134.42 41443302.67 19779318.13 22269684.45 21470976.9 35935996.1 18282185.4 26296112.71 18490650.33 56070293.64 20525450.8 16751443.36 18945549.86 25623773.24 20180492.44 20465221.83 24311386.88 28204883.14 21134247.01 21554707.36 19628519.2 40497052.3 20862715.76 51023459.66 23062446.63 37691182.66 17197446.1 Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside 471849.0258 438804.6761 833141.6001 244419.2355 162402.7755 335665.434 735334.6694 215659.1564 156137.5273 445077.2027 681323.1209 126213.5054 139225.2218 436034.7837 891348.1729 187744.0306 74543.79205 505036.3177 779809.8563 780647.7743 381176.9539 459759.0726 856248.388 217563.156 161216.9883 390185.2778 874019.8561 185106.1715 133261.7764 383181.3698 567990.9658 203303.1292 155510.0654 613716.8096 821771.5105 210342.4288 84013.72534 480128.9733 681082.1621 179554.5063 161834.6883 359033.9645 653033.062 329709.8952 273732.0479 286816.0946 528746.6351 236240.0849 173881.7063 364439.6981 526238.807 178095.0159 151916.28 479369.5412 683415.9826 206140.0079 138193.1559 353104.8863 769444.3832 205599.1811 101189.5189 510618.7469 959498.0401 279433.3396 303664.9515 462102.7677 166266.1984 156724.39 174870.371 495497.9747 573637.6886 195692.5224 144484.0069 400295.3702 725911.922 232672.8812 137683.4783 438038.7508 717767.7585 201802.6343 74651.91973 153604.8972 841573.0536 645396.1416 N-Acetylcadaverine 107344.6347 0 0 0 198775.901 164330.9404 78975.90619 0 81414.85761 81373.19174 89367.67643 0 87554.46382 41193.38601 96952.0823 75523.26124 138033.4652 113728.572 141818.1194 148348.5295 117674.5309 71559.89277 0 130819.044 188316.8493 107581.9555 76603.14596 0 95317.13883 55286.55082 96872.98293 0 102350.2244 127278.9904 154077.3793 182137.315 80777.15142 34133.18076 168775.4638 100483.5814 144360.8595 130826.9739 113176.7162 94050.01768 64724.01577 75445.91044 67071.30788 0 67077.11816 0 119527.5331 67205.94447 181039.9811 87913.8408 111372.7032 0 87901.75955 58832.25348 172002.7114 19795.72568 133399.8385 156737.3166 132071.2416 66077.21208 162614.9651 80681.41566 66439.31316 124734.3724 79569.60047 74324.56019 183685.4561 84260.47264 94313.15487 147353.9609 97156.99464 0 107095.127 76389.70552 136537.0201 101540.0675 117189.669 100285.4124 129761.2313 77465.00856 PC(36:3) 4209246.842 3170958.503 3662225.757 1841142.512 1944506.731 2574531.374 2706941.433 1858834.009 1919215.906 3333231.981 3972468.214 1902668.255 1347018.376 2572626.673 973835.4046 1623225.124 2834323.326 2090527.046 1228678.563 2186608.121 5828767.176 4019742.478 1602218.523 1814914.573 1561241.815 2951645.029 1163676.756 1466376.749 1467081.139 2613003.747 1706575.661 1811039.255 1468986.714 3166791.505 1052721.045 1776613.527 5881867.268 3736060.383 755597.5605 1667008.789 3221033.48 2956544.511 1014858.602 1704475.44 2380613.515 2835226.977 1795519.306 1855327.976 4398401.79 2861530.379 1049263.461 1605450.639 993705.8838 1590872.959 1129939.892 1535544.33 3712870.254 3112972.767 1210420.835 2185974.887 876425.7747 1234030.115 921896.5321 1959699.768 1457526.825 3442261.936 1647818.065 1849786.942 1302551.048 4652635.76 1115141.22 1589120.085 757328.3244 1505098.04 1502337.713 1730771.152 4156416.604 2381969.204 1127176.756 1746514.071 4546593.072 2809388.485 1331447.178 3678560.072 1,6-diaminohexane 0 10524.75925 0 61223.17366 0 0 0 17403.91047 0 0 9017.664568 97615.06976 0 8645.960893 0 0 0 0 0 0 0 21597.23505 31970.13969 42914.67431 0 0 0 16742.25894 0 0 0 14002.22174 0 0 0 0 0 0 0 0 0 0 0 0 0 15084.10345 7980.269393 45130.56642 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17657.42894 0 32014.43786 0 9279.567461 0 0 0 9801.734259 0 0 0 13304.97558 0 0 0 9965.91625 0 0 (R)-S-Lactoylglutathione 76110.02042 85806.46561 186978.9342 137252.4404 332997.8581 380743.9934 335127.1454 153968.1031 405318.7335 462987.5385 257440.3967 216492.0817 479310.7256 387760.6431 1320380.168 219843.1952 1529608.569 5102434.627 4532932.532 1983970.828 91199.55384 100562.6541 465191.9584 126302.4748 436002.5101 284462.9773 914348.4053 166215.5086 484779.3857 420952.0802 435593.9043 232515.7323 273598.7115 249265.0282 968568.8453 204297.9252 124208.1505 141186.7212 1199594.443 162547.2316 1848582.987 3841045.501 3976559.438 3009390.994 193098.3373 73655.3761 143943.6781 124897.1554 199727.2664 381853.8366 824171.3624 216835.4541 525585.0796 766889.7641 902013.6808 274959.3417 200039.4671 259133.8497 1721543.498 153624.0548 2705743.416 4295463.702 2969612.92 2779344.236 301166.2707 79100.34769 170425.859 139279.129 308761.5169 309973.8111 779870.7438 200042.3281 745816.8995 613522.4971 758484.0589 169467.0151 186789.2468 366325.3061 1709673.178 184664.669 1613199.047 3902191.769 3184576.785 1892710.351 Chelirubine 24796.0415 26906.87758 24474.2975 41796.89455 44210.10703 32777.8397 14215.0333 43081.04374 44793.02401 31604.65349 23274.20474 38751.53152 49710.97621 47877.68899 42558.95612 50140.27042 33523.19332 61130.74993 49987.62765 77307.18211 9624.464552 11726.20179 29768.5275 44616.95582 24343.38592 29667.01478 29178.60352 40078.57988 43351.47815 44358.91952 32471.20061 50751.57444 60566.2797 34806.62282 58357.92911 48000.13571 22422.1628 35457.24302 55157.42335 61414.81335 32429.4672 63384.78337 66241.87907 79261.99207 11462.91114 13573.49297 13169.02772 26078.70124 23434.86869 28250.3064 46535.04102 57280.36381 81461.17738 70391.39306 52341.3593 61160.51126 37184.7082 39813.27394 51570.57534 57975.0827 44209.11667 63149.28224 44585.20757 60365.59134 40798.89766 11998.45479 0 44544.84742 35857.31446 27925.91284 39546.32729 45459.12029 44113.82695 48349.9495 49247.25468 45440.16743 33376.33739 56461.23031 56768.29703 85791.48045 30430.57278 46299.79468 70399.34827 54779.94973 SM(d35:1) 737723.4863 658039.2265 573470.2053 858488.4186 490107.1538 612229.5141 654153.4359 875477.8372 508817.43 617844.8723 559632.8738 760743.9098 675146.6639 682171.0805 1151320.474 775328.9946 1538925.877 744035.544 1403064.877 591763.0995 1096755.34 779347.4337 1191011.899 734973.6011 504272.2537 560074.2683 1127249.489 727725.5488 661458.6175 681674.8075 661901.3505 776396.7231 634020.8698 662674.9561 1088336.802 669813.6334 1388824.346 539881.4416 977533.1161 678789.4624 815553.9816 619337.8095 945663.3387 530309.7318 932964.0665 777494.5377 426047.5971 388043.3599 654361.7117 575041.3609 998650.5494 748159.3187 571791.5725 543079.9448 1004215.923 859662.3305 726216.2589 588031.8809 1103762.108 734764.0626 664531.6017 578010.4881 933502.3832 625862.1404 564385.6829 661572.2832 1678643.169 730864.2655 537599.723 589379.4681 267502.9432 834481.7876 654556.3752 532914.4922 892723.5418 845851.6798 763029.3865 670743.3605 1037893.63 745315.0677 1295974.924 811091.3943 667862.223 599429.5959 3-nitro-2-pentanol 7718.757474 28635.91957 37620.64912 31038.49723 35000.19233 47775.6037 41812.17177 96779.25572 34502.70506 47996.1937 80909.87252 52866.98755 53166.72598 45283.79735 94356.25897 100198.3712 25514.68675 60793.76754 113112.1599 115092.9817 11884.58967 37160.15184 74715.58627 133833.082 43119.41098 70267.50862 76389.6265 79621.1466 47259.14369 56657.28681 73195.56618 84708.2342 35846.43828 61272.70699 99170.59597 110949.2479 26492.16298 37903.37765 87165.64002 87545.52664 23679.51796 49854.99501 95218.89889 107973.6941 9354.908455 29429.12965 47272.02675 11441.76814 19088.12672 78815.72609 98045.89164 71537.36022 54334.21219 79013.72369 96632.73193 119315.7993 44118.68719 48980.40267 94131.66479 113915.384 44656.85648 51978.16181 104196.1264 105332.4474 41691.09764 44983.49073 34437.98683 56843.11308 24319.33359 68268.0714 74605.20408 71264.48544 102141.8155 99863.24938 75290.52199 109187.0026 30358.49701 64825.5724 107288.3868 125701.8779 25197.28785 37287.16338 95400.1571 63197.77563 5S-HETE di-endoperoxide 0 0 254481.5909 0 120638.1616 0 83482.6433 0 0 0 596504.849 0 93687.05476 222501.2751 257760.7065 189281.486 129899.9521 242209.2241 124085.3362 80367.09796 189672.0536 123346.0524 0 203138.7928 46929.93222 131788.8537 309301.8435 51864.66742 0 222749.0383 92522.89484 79464.91133 57322.99051 0 214597.9759 149511.5016 736632.7404 78287.93094 427904.5228 0 127397.0906 402648.6584 123352.6639 0 0 79213.66559 103618.5959 0 0 0 166821.2015 270569.8943 107984.605 67313.80091 99655.77093 76304.36068 0 0 299440.7042 356226.2995 216427.5206 244960.4824 215418.0818 65393.25928 63189.1325 0 0 0 0 222298.9054 227077.0804 0 0 241193.8602 115671.68 225688.8211 306524.3637 0 0 277091.923 165637.6551 890138.6141 166293.4403 242700.8001 Di(2-ethylhexyl) adipate 33862.77308 0 311197.8789 0 137349.101 0 0 57408.46424 0 0 462261.5216 0 55117.86285 69563.68772 85843.84243 68324.44751 0 155161.5453 0 69569.10964 162557.8175 82304.21094 0 235713.1373 42363.67126 464962.9676 192919.8046 0 0 66918.82296 0 0 0 0 173050.6072 72628.20566 703084.0118 0 150902.1105 0 77730.29272 646369.5151 0 0 0 151852.2702 0 0 0 0 85665.92344 459327.5168 44360.83016 0 0 0 0 0 172487.9271 263396.6276 94711.53393 79553.40815 72324.48113 48846.91069 0 0 0 0 0 181037.6233 132930.1816 0 0 295653.224 64060.36829 158185.1595 271344.672 0 0 214215.4316 0 386442.5889 156783.308 93777.10364 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention time mass KEGG ID HMDBID Lmid InchiKEY Lactosylceramide(d18 7.601925128 861.6181304 C01290 HMDB04866 KNWHKVBHCLQVFX-QXWNENIHSA-N D-Glucosamine 13.99015951 179.0793926 C00329 HMDB01514 MSWZFWKMSRAUBD-IVMDWMLBSA-N N-(5-Methyl-3-oxohexyl)alanine 10.53412455 201.1363517 SM(d43:1) 7.618731983 828.7092187 LMSP03010085 LXMARZYBSFYVSY-KUQVZNNZSA-N N-oleoyl tyrosine 4.663268677 445.3192032 LMFA08020099 UOIBFJBJAWHQNM-JRUKXMRZSA-N Montecristin 3.77281814 574.4954503 Hexanoylcarnitine 7.680611847 259.1785352 HMDB00705 VVPRQWTYSNDTEA-UHFFFAOYSA-N N-stearoyl tyrosine 4.625341473 447.3350668 LMFA08020100 YKWCFTGLODSOSB-VWLOTQADSA-N Glu-Ala-Gly 14.3003546 275.1115641 L-Homocitrulline 15.11443181 189.1113873 C02427 HMDB00679 XIGSAGMEBXLVJJ-YFKPBYRVSA-N Leu-Ser 13.01896544 218.126721 PE(P-36:3) 4.045685475 725.5351956 HMDB11351 LMGP02030027 OFLIDIBZDKQXPD-UKFMZXQISA-N PE(34:3) 3.886038732 713.4989851 LGHHSOARZMNIGJ-DFCPKGTFSA-N (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol 4.194756508 293.1992933 C04875 LGXDICLRWHYEIS-UHFFFAOYSA-N PC(34:2) 4.102637573 757.5625424 LMGP01020033 PXPSGTINXJQLBR-VQJSHJPSSA-N Oleoylcarnitine 4.653362842 425.3504858 HMDB05065 GDP 17.49992222 443.024595 C00035 HMDB01201 QGWNDRXFNXRZMB-UUOKFMHZSA-N Crotonoyl-CoA 14.94937656 835.1422534 C00877 HMDB02009 KFWWCMJSYSSPSK-BOGFJHSMSA-N Thiamin diphosphate 14.53762283 424.0370126 C00068 HMDB01372 AYEKOFBPNLCAJY-UHFFFAOYSA-O Docosa-4-7-10-13-16-pentaenoylcarnitine 4.55923195 473.3507097 HMDB06321 KRXOUZZWQXTUIB-IDERWEGCSA-N O-9Z,12Z-Hexadecadienoyl-R-carnitine 4.693818675 423.334861 LMFA07070009 [SP (14:0)] 1-deoxy-tetradecasphinganine 4.869975467 229.2405277 LMSP01080033 WMUMHAZHWIUBPN-UONOGXRCSA-N SM(d40:1) 6.39559826 786.6618106 C00550 HMDB12103 LMSP03010006 FJJANLYCZUNFSE-TWKUQIQBSA-O PC(38:4) 4.018699773 809.5930065 Met-Ser 10.47866973 236.08325 WEDDFMCSUNNZJR-UHFFFAOYSA-N PC(38:6) 4.033659615 805.5624826 Cholesta-5,7-dien-3beta-ol 5.034062003 384.3391533 C01164 HMDB00032 LMST01010069 UCTLRSWJYQTBFZ-DDPQNLDTSA-N trans-Hexadec-2-enoylcarnitine 4.792756782 397.3192976 HMDB06317 SOYNLLDADLOGAM-ISLYRVAYSA-N PC(36:2) 4.067209768 785.5929222 LMGP01040060 RXVOSONMLRHQRN-UNGCUCNDSA-N PC(40:5) 4.006347635 835.6077577 LMGP01010815 GLPAGCOJQYNMCC-YJGWALHQSA-N SM(d18:1/24:1(15Z)) 4.764285583 812.6775434 C00550 HMDB12107 LMSP03010007 WKZHECFHXLTOLJ-QYKFWSDSSA-O PE(P-38:5) 3.957540827 749.5360729 C00350 HMDB09447 IQSPCSIULMCRPM-ZAJUHDLGSA-N LysoPE(20:1) 4.923818928 507.3328912 HMDB11512 LMGP02050020 JEAGLCKGAKACCE-OPSAWKISSA-N L-Tryptophan 11.58145056 204.0899475 C00078 HMDB00929 QIVBCDIJIAJPQS-VIFPVBQESA-N PC(36:4) 4.067309173 781.5622112 LMGP01040051 HVVJCLFLKMGEIY-SJARJILFSA-N 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate 14.10302042 186.0531019 HEWAJTLQEJUAGF-UHFFFAOYSA-L LysoPC(20:4) 4.722534218 543.3319336 C04230 HMDB10395 LMGP01050048 LAXQYRRMGGEGOH-JXRLJXCWSA-N O-Palmitoyl-R-carnitine 4.74346419 399.3349017 C02990 HMDB00222 LMFA07070004 XOMRRQXKHMYMOC-OAQYLSRUSA-N [LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine 4.946485488 467.3018448 C04230 HMDB10379 LMGP01050012 VXUOFDJKYGDUJI-OAQYLSRUSA-N Hexadeceylamin 7.65975478 241.2768899 LysoPC(O-16:1) 4.773981055 479.3377724 LMGP01060029 PLQWZMJRHVARFU-NFPSEPLVSA-N Ala-Ser-Ser 15.08418925 263.1117933 2-Ethylhexyl phthalate 4.155649798 278.1519096 C03343 HMDB13248 DJDSLBVSSOQSLW-UHFFFAOYSA-N SM(d44:2) 4.982571833 840.7087347 Triethanolamine 9.410876677 149.1051591 Nebrosteroid M 3.989278388 446.3760637 LMST01031114 JXWWITGIOCSBLV-XQDHGAOQSA-N L-Methionine 11.52268348 149.0510717 C00073 HMDB00696 FFEARJCKVFRZRR-BYPYZUCNSA-N PC(40:7) 4.011548855 831.5777322 ZEAKXAXFIRHBSN-WDYLLCCDSA-N Bis(2-ethylhexyl)phthalate 4.019740282 390.2769789 C03690 BJQHLKABXJIVAM-UHFFFAOYSA-N Acetylpseudotropine 11.05018277 183.1259731 C12453 MDIDMOWWLBGYPG-UHFFFAOYSA-N PC(34:1) 4.107391092 759.5773274 Heptadecanoylcarnitine 4.696531533 413.350466 HMDB06210 DWSFAVOTORHAAL-UHFFFAOYSA-N [ST hydroxy(3:2/3:0/3:0)] (5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol 3.963792765 462.3712105 LMST03020627 OETBDAZRINTQAP-GVGIUTEISA-N LysoPC(16:1) 4.861953393 493.3172712 CTAB 8.199824063 283.3239339 C11275 LZZYPRNAOMGNLH-UHFFFAOYSA-M PE(38:1) 4.07689911 773.5921417 VDNXNFMAFDYQSI-JHWHEROUSA-N PE(38:6) 3.957402455 763.5151091 LysoPE(20:4) 4.697636057 501.2852021 HMDB11487 YWOCITMXHHTBAW-XSQXPFHXSA-N PC(40:6) 3.994401687 833.5935881 FAUYAENFVCNTAL-PFFNLMTBSA-N PE(P-36:4) 3.989776665 723.5205565 C00350 HMDB09150 XLBRCASDZDRYLA-FWMGDSTOSA-N Undecanoylcholine 4.46388057 271.2512021 HMDB13322 LysoPC(18:1) 4.755195303 521.3482876 LMGP01050106 HEEMBWYZIJABCR-ZXAYODBVSA-N [SP] Sphing-4-enine 4.498499263 299.2825793 C00319 HMDB00252 LMSP01010001 WWUZIQQURGPMPG-KRWOKUGFSA-N Ganglioside GA1 (d18:1/24:0) 7.757340693 669.4368183 C06136 HMDB04909 IPMYGQGIBYDLRZ-HAJGBZOKSA-N Thr-Ala 17.16055265 190.0953938 VPZKQTYZIVOJDV-VPENINKCSA-N Glutathione 14.06611358 307.0834899 C00051 HMDB00125 RWSXRVCMGQZWBV-WDSKDSINSA-N 3-Butynoate 11.06270121 84.02115887 C06144 KKAHGSQLSTUDAV-UHFFFAOYSA-N Ala-Asp 15.26641194 204.0746801 XAEWTDMGFGHWFK-IMJSIDKUSA-N (24R,24'R)-Fucosterol epoxide 3.952373308 428.3657127 C03910 LMST01040151 XUBCLKHKJZCPFZ-UMKPQZCOSA-N 2,3-Dihydroxyindole 5.847727172 149.0476294 C02775 PGNRLPTYNKQQDY-UHFFFAOYSA-N 2-(4-sulfophenyl)butyrate 13.75506912 244.0409435 UBOLIQIJRBLRGQ-UHFFFAOYSA-L Tetradecanoylcarnitine 4.87684376 371.3034965 HMDB05066 PSHXNVGSVNEJBD-LJQANCHMSA-N Decitabine 13.32743462 228.0859152 SM(d41:1) 4.841385622 800.6772616 LMSP03010076 LQSSZIQDYCHSLD-NMIJJABPSA-N N6-(1,2-Dicarboxyethyl)-AMP 17.91095153 463.0741362 C03794 HMDB00536 OFBHPPMPBOJXRT-VWJPMABRSA-N PC(32:1) 4.124463423 731.5459581 C00157 HMDB07872 LMGP01010490 GMJKBBMXRYZKEP-WYRBGLKBSA-N [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 3.809769388 368.344444 LMST03020618 FXKMDILIEQILCA-VDVRBEGSSA-N LysoPE(22:0) 4.66780746 537.3794776 HMDB11520 LMGP02050025 NYSQCLMCGRAJJQ-AREMUKBSSA-N LysoPE(20:0) 4.78514025 509.3486635 HMDB11511 LMGP02050012 HEQMDGOBDIGJOC-XMMPIXPASA-N PS(36:5) 3.794331103 781.4904523 BUZGPRVYXXZJOM-LCWFRSHRSA-N 6-diazo-5-oxonorleucine 14.91783346 171.064456 YCWQAMGASJSUIP-UHFFFAOYSA-N LysoPC(20:0) 4.611579715 551.3950371 C04230 HMDB10390 LMGP01050045 UATOAILWGVYRQS-HHHXNRCGSA-N MES 12.51969922 195.056322 SXGZJKUKBWWHRA-UHFFFAOYSA-N Cohibin C 3.768894825 576.5108816 PE(O-38:5) 3.957100522 751.5522137 C00350 HMDB05779 LMGP02030003 URPXXNCTXCOATD-FXMFQVEGSA-N MOPS 11.21562697 209.0720554 DVLFYONBTKHTER-UHFFFAOYSA-N Furfural 17.30194815 96.02111825 C14279 HYBBIBNJHNGZAN-UHFFFAOYSA-N 7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha-D- ribofuranosyl 5-phosphate]-D-ribitol 8.72128055 614.1725814 Stearoylcarnitine 4.624172087 427.3662502 HMDB00848 LMFA07070008 FNPHNLNTJNMAEE-UHFFFAOYSA-N PE(P-38:6) 3.942765652 747.5191105 HMDB11453 VGXSEFHXUNWPHA-NUKAGXKOSA-N LysoPE(18:1) 4.852678577 465.3219056 LMGP02060004 CDONWGCJDDHTLP-DJYGDJEFSA-N Arsenobetaine 11.15181713 177.9974992 PE(36:4) 3.99118925 739.513778 KUPNWZACJRZMJD-SIOSMUJOSA-N LysoPC(16:0) 4.843866878 495.3326749 C04230 HMDB10382 LMGP01050018 ASWBNKHCZGQVJV-HSZRJFAPSA-N Hexadecasphinganine 5.295501812 273.266847 C13915 LMSP01040001 ZKLREJQHRKUJHD-JKSUJKDBSA-N SM(d38:1) 4.733348182 758.6305302 C00550 HMDB12102 LMSP03010005 AADLTHQNYQJHQV-SVLGDMRNSA-O gamma-thiomethyl glutamate 14.54663835 193.0409293 Cys-Gly-Pro 10.56093323 275.0937163 Ala-Asp-Asp 16.50734664 319.101787 SM(d41:2) 4.516277398 798.662502 Glu-Pro 14.92273393 244.1059096 D-O-Phosphoserine 17.18560077 185.0089845 C02532 BZQFBWGGLXLEPQ-UWTATZPHSA-N SM(d44:1) 5.117442805 842.7229242 C00550 HMDB11698 LMSP03010010 VRAWSAPVSSLIRI-MVUJCARGSA-O Proclavaminic acid 9.839361323 202.0950339 C06658 NMCINKPVAOXDJH-VDTYLAMSSA-N Asn-Asn-Gly-His 14.73123108 440.1763527 SM(d32:2) 4.449498875 672.5211782 LMSP03010034 PEJGMBUENJSLLH-RHAKMSQVSA-N deacetylcolchicine 14.96645758 357.157068 C16712 HFPMXDMZJUJZBX-AWEZNQCLSA-N Methocarbamol 4.992828235 241.0949854 Benzene-1,2,4-triol 16.76240027 126.0316988 C02814 GGNQRNBDZQJCCN-UHFFFAOYSA-N LysoPE(P-20:0) 4.7280112 493.3531502 Procollagen 5-(D-galactosyloxy)-L-lysine 16.60274766 324.153414 C05547 HMDB00600 RCPOVANIIKXVTB-YPPRVYOWSA-N Phosphocreatine 14.99096929 211.0359049 C02305 HMDB01511 DRBBFCLWYRJSJZ-UHFFFAOYSA-N SM(d42:3) 4.325904345 810.6625448 LMSP03010080 TXFLWJQVQCDUDZ-BRUGZULGSA-N [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 4.888184587 481.3533234 C13903 LMGP01060012 VLBPIWYTPAXCFJ-UHFFFAOYSA-N Bisacurone epoxide 4.188265113 268.1679264 N2-Acetyl-L-aminoadipyl-delta-phosphate 16.60683972 283.0457769 C12987 ZSQUJRWIOUMROC-LURJTMIESA-N Ne,Ne dimethyllysine 20.94353832 174.1367389 C05545 HMDB13287 PE(P-40:5) 3.926566673 777.5678902 LMGP02030086 CVCZYWPCMUWTNS-IXKBFPPMSA-N Lactose 16.18258972 342.1162639 C00243 HMDB00186 GUBGYTABKSRVRQ-XLOQQCSPSA-N Choline phosphate 14.92558874 183.0660791 C00588 HMDB01565 YHHSONZFOIEMCP-UHFFFAOYSA-O Glu-Leu 10.99379194 260.1373234 Glu-Met-Thr 12.12871094 379.1412372 Asn-Leu-Pro-Pro 10.8581661 439.2427404 4a-Hydroxytetrahydrobiopterin 14.14148075 257.1122896 C15522 HMDB02281 KJKIEFUPAPPGBC-XXKOCQOQSA-N Corydaline 10.71030471 369.1933826 C15530 VRSRXLJTYQVOHC-YEJXKQKISA-N SM(d38:2) 4.360023768 756.614978 LMSP03010058 KPTCFDRXDCXXSG-GKAOGSCXSA-N LysoPC(O-18:0) 4.76737845 509.3848441 gamma-Glutamyl-Se-methylselenocysteine 15.96562142 312.0222537 C05695 HMDB10716 IEFQLTYCECVOLL-UHFFFAOYSA-N L-Lysine 22.49594985 146.1054927 C00047 HMDB00182 KDXKERNSBIXSRK-YFKPBYRVSA-N Betaine 11.32153101 117.0789562 C00719 HMDB00043 KWIUHFFTVRNATP-UHFFFAOYSA-N [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 12.44203498 145.0739217 C03656 HMDB12131 LMFA01060173 FAASBXNEOGMQHS-BYPYZUCNSA-N FAD 11.3576134 785.1576741 C00016 HMDB01248 VWWQXMAJTJZDQX-UYBVJOGSSA-N SM(d18:0/24:1(15Z)) 5.094556533 814.6920998 C00550 HMDB12095 XZBDYCJQWJNNJB-CFLZVKAOSA-O S-Cysteinosuccinic acid 16.92657993 237.0307868 Crotanecine 13.73089929 171.0894812 C10284 VMWCRDCGNVMCGJ-BWZBUEFSSA-N LysoPE(18:0) 4.892530615 481.3169365 HMDB11129 KIHAGWUUUHJRMS-JOCHJYFZSA-N PC(18:2) 4.797984965 519.3322779 LMGP01050034 CLDXAAPENVNFAW-JRMAHNDFSA-N Imidazole-4-acetate 11.43835376 126.0429008 C02835 HMDB02024 PRJKNHOMHKJCEJ-UHFFFAOYSA-N gamma-L-Glutamyl-L-cysteinyl-beta-alanine 13.042141 321.0996654 C04544 HKBNQXMLSMKLJV-BQBZGAKWSA-N 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 3.762884133 602.5266523 LMGL02070004 QCHBHNNYXGOTCL-GXJVVETESA-N S-glutathionyl-L-cysteine 16.80479838 426.0880071 C05526 HMDB00656 BNRXZEPOHPEEAS-FXQIFTODSA-N Ala-Thr-Ala-Ser 16.40690918 348.1645236 Asp-Asp 17.08121967 248.064548 FRYULLIZUDQONW-IMJSIDKUSA-N Hydroxyhexanoycarnitine 9.248240277 275.1735768 HMDB13131 L-Threonine 14.34989966 119.0582597 C00188 HMDB00167 AYFVYJQAPQTCCC-GBXIJSLDSA-N 4-Trimethylammoniobutanoate 13.35695943 145.1102775 C01181 HMDB01161 JHPNVNIEXXLNTR-UHFFFAOYSA-O Asparaginyl-Hydroxyproline 12.53808897 245.1012321 Methacholine 13.35650977 159.1259533 C07471 NZWOPGCLSHLLPA-UHFFFAOYSA-N NADP+ 16.52036781 743.0759141 C00006 HMDB00217 XJLXINKUBYWONI-NNYOXOHSSA-O LysoPC(18:0) 4.7274387 523.3639164 C04230 HMDB10384 LMGP01050026 IHNKQIMGVNPMTC-RUZDIDTESA-N 3-(1-Pyrrolidinyl)-2-pentanone 5.033839957 155.1310482 S-Adenosyl-L-methionine 16.30172518 398.1373152 C00019 HMDB01185 MEFKEPWMEQBLKI-AIRLBKTGSA-N N-Acetyl-L-leucine 11.8369078 173.1052478 C02710 HMDB11756 WXNXCEHXYPACJF-ZETCQYMHSA-N GTP 18.63408225 522.9908491 C00044 HMDB01273 XKMLYUALXHKNFT-UUOKFMHZSA-N dGMP 15.46956818 347.0627973 C00362 HMDB01044 LTFMZDNNPPEQNG-KVQBGUIXSA-N PE(32:1) 3.818267462 689.4995154 Damascenine 4.914876833 195.089496 C10588 ZRWJIZYZTLTXJI-UHFFFAOYSA-N L-Ornithine 21.73495193 132.0898486 C00077 HMDB00214 AHLPHDHHMVZTML-BYPYZUCNSA-N O-Propanoylcarnitine 9.865421733 217.131417 C03017 HMDB00824 LMFA07070005 UFAHZIUFPNSHSL-UHFFFAOYSA-N CMP-N-trimethyl-2-aminoethylphosphonate 14.3227792 472.1125895 C05674 RNUGPSIGKYHQNQ-OJAKKHQRSA-O L-Citrulline 15.82387926 175.0957159 C00327 HMDB00904 RHGKLRLOHDJJDR-BYPYZUCNSA-N PE(P-36:2) 4.082290758 727.5529219 C00350 HMDB09050 BIYXBOGKCFGRKR-NZWMGPRYSA-N N-Acetyllactosamine 13.74973206 383.14288 C00611 HMDB01542 KFEUJDWYNGMDBV-LODBTCKLSA-N L-Methionine S-oxide 13.31547408 165.0461067 C02989 HMDB02005 QEFRNWWLZKMPFJ-YGVKFDHGSA-N EPC(d33:1) 4.50835454 646.5053028 Lys-Val 21.84600675 245.1738983 YQAIUOWPSUOINN-UHFFFAOYSA-N CDP-choline 15.23544727 488.1077257 C00307 HMDB01413 RZZPDXZPRHQOCG-OJAKKHQRSA-N L-Valine 12.45411466 117.0789732 C00183 HMDB00883 KZSNJWFQEVHDMF-BYPYZUCNSA-N 4-(Trimethylammonio)but-2-enoate 10.75159291 143.0946546 C04114 GUYHPGUANSLONG-SNAWJCMRSA-N L-Serine 15.64468996 105.0426045 C00065 HMDB00187 MTCFGRXMJLQNBG-REOHCLBHSA-N Glucosylgalactosylhydroxylysine 21.73527707 486.2062248 HMDB00585 UTIRJVJBKWSIOX-SRMFCGEKSA-N Leu-Pro 13.06751081 228.1473965 HMDB11175 VTJUNIYRYIAIHF-UHFFFAOYSA-N 4-Imidazolone-5-propanoate 10.98658091 156.0534462 C03680 HMDB01014 HEXMLHKQVUFYME-UHFFFAOYSA-N beta-Citryl-L-glutamic acid 19.51695717 321.0696472 HMDB13220 GAQNUGISBQJMKO-YFKPBYRVSA-N Ala-Asn-Asp 15.3021519 318.1176763 2-Amino-2-deoxy-D-gluconate 16.9252545 195.0743828 C03752 UFYKDFXCZBTLOO-UHFFFAOYSA-N Anthranilate 11.85430615 137.0477107 C00108 HMDB01123 RWZYAGGXGHYGMB-UHFFFAOYSA-N Muramic acid 14.36168943 251.1004725 C06470 HMDB03254 MSFSPUZXLOGKHJ-PGYHGBPZSA-N NAD+ 14.03279198 663.1092729 C00003 HMDB00902 BAWFJGJZGIEFAR-NNYOXOHSSA-O [SP (17:0)] heptadecasphinganine 4.646360697 287.2823757 5-Acetamidopentanoate 12.27921708 159.0895855 C03087 HMDB12175 TZZSWAXSIGWXOS-UHFFFAOYSA-N Asp-Leu-Gln-Pro 12.41094516 471.2332196 L-Arginine 23.39583943 174.1116368 C00062 HMDB00517 ODKSFYDXXFIFQN-BYPYZUCNSA-N 6-Hydroxyl-1,6-dihydropurine ribonucleoside 14.61950598 270.0964406 C04583 WGRXVKRHIMUTPD-AFPKLJJXSA-N L-Histidine 14.6248984 155.069492 C00135 HMDB00177 HNDVDQJCIGZPNO-YFKPBYRVSA-N Trp-Trp-Tyr-Tyr 10.46461574 716.2952042 Asp-Gly-Arg 17.66001577 346.1603319 sn-glycero-3-Phosphocholine 14.44752918 257.1026834 C00670 HMDB00086 SUHOQUVVVLNYQR-MRVPVSSYSA-O L-Leucine 11.23797393 131.094621 C00123 HMDB00687 ROHFNLRQFUQHCH-YFKPBYRVSA-N Guanidinoacetate 15.69240258 117.0538669 C00581 HMDB00128 BPMFZUMJYQTVII-UHFFFAOYSA-N Arg-Asp-Asp-Gly 16.93506642 461.1869836 Lys-Thr-Thr 15.33570159 348.2008177 Asp-Val-Gly-Ser 16.67746102 376.1594007 Slaframine 10.12321105 240.1472658 C06185 UQNSGOYQGBXKSN-MCIGGMRASA-N Leu-Ala 12.79281495 202.1318014 HSQGMTRYSIHDAC-UHFFFAOYSA-N UDP 16.06002061 404.0023489 C00015 HMDB00295 XCCTYIAWTASOJW-XVFCMESISA-N L-Isoleucine 10.85906504 131.0946175 C00407 HMDB00172 LMFA01100047 AGPKZVBTJJNPAG-WHFBIAKZSA-N PS(40:5) 3.751749782 837.5507161 SM(d34:2) 4.403318462 700.5523696 LMSP03010040 QQFVICUNTBNUKN-QQRIYSRRSA-N L-Tyrosine 12.93151952 181.0739082 C00082 HMDB00158 OUYCCCASQSFEME-QMMMGPOBSA-N Ala-Leu-Thr-Ala 14.50803516 374.2164471 L-Carnitine 13.29578202 161.1051748 C00487 HMDB00062 PHIQHXFUZVPYII-UHFFFAOYSA-O O-Acetylcarnitine 11.0489917 203.1157774 C02571 HMDB00201 RDHQFKQIGNGIED-MRVPVSSYSA-O 5,6-Dihydrothymine 14.73484139 128.058568 C00906 HMDB00079 NBAKTGXDIBVZOO-UHFFFAOYSA-N ADP ribose 1'',2''-phosphate 17.76371693 621.0278387 HMDB11671 NPSPRYXPOGPCPM-PNUFQSOHSA-N Tolylacetonitrile 11.58379063 131.0735919 C02596 WMGVPDQNPUQRND-UHFFFAOYSA-N PE(32:0) 3.780143518 691.5148948 L-Asparagine 15.16096719 132.053472 C00152 HMDB00168 DCXYFEDJOCDNAF-REOHCLBHSA-N Deoxymannojirimycin 15.74807895 163.0844829 C10141 LXBIFEVIBLOUGU-KVTDHHQDSA-N N-Gluconyl ethanolamine phosphate 14.68326934 319.0670474 2,3-Dimethylmaleate 13.65947529 144.0423177 C00922 CGBYBGVMDAPUIH-ARJAWSKDSA-N Hypaphorine 8.79236713 246.1368071 C09213 AOHCBEAZXHZMOR-ZDUSSCGKSA-N 1-Methylhypoxanthine 9.283484835 150.054224 HMDB13141 KIQMCGMHGVXDFW-UHFFFAOYSA-N Dihydrobiopterin 10.4660135 239.1022237 C00268 HMDB02215 ZHQJVZLJDXWFFX-RPDRRWSUSA-N Indole 11.6137433 117.0578151 C00463 HMDB00738 SIKJAQJRHWYJAI-UHFFFAOYSA-N N6-Acetyl-N6-hydroxy-L-lysine 11.9010893 204.1108236 C03955 YXKGOSZASIKYPU-ZETCQYMHSA-N Thr-Ala-Ser 16.08407441 318.1539881 3-Methyleneoxindole 8.792038785 145.0526949 C02796 IGXUUWYVUGBMFT-UHFFFAOYSA-N 2-Methylbutyroylcarnitine 8.147832332 245.1628693 HMDB00378 IHCPDBBYTYJYIL-UHFFFAOYSA-N Nicotinamide D-ribonucleotide 15.1844966 334.0566583 C00455 HMDB00229 DAYLJWODMCOQEW-TURQNECASA-N Leu-Asp 12.33934831 246.1216802 N-Acetyl-beta-D-glucosaminylamine 13.08605649 220.1061931 C01239 HMDB01104 MCGXOCXFFNKASF-FMDGEEDCSA-N Creatine 14.60599193 131.0694222 C00300 HMDB00064 CVSVTCORWBXHQV-UHFFFAOYSA-N IDP 16.40784163 428.0129219 C00104 HMDB03335 JPXZQMKKFWMMGK-KQYNXXCUSA-N Kievitone hydrate 10.23568933 374.1371471 C02549 QISUKJAAXYVLMA-UHFFFAOYSA-N Sulfacetamide 9.023974753 214.0411573 Indoleacrylicacid 8.793852715 187.0633016 HMDB00734 SXOUIMVOMIGLHO-AATRIKPKSA-N N-(L-Arginino)succinate 16.64803243 290.1227122 C03406 HMDB00052 KDZOASGQNOPSCU-WDSKDSINSA-N xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole 10.46742155 98.08448721 Thr-Trp-Cys 15.41052224 408.1467658 PE(P-40:6) 3.914204575 775.5505058 HMDB11425 FTSKHGJWLNUZOB-RCWWZEBWSA-N Pyridoxine phosphate 13.68567782 249.0404555 C00627 HMDB01319 WHOMFKWHIQZTHY-UHFFFAOYSA-N Glu-Thr 14.58107883 248.1008057 Quinoline 11.58411373 129.0578258 C06413 SMWDFEZZVXVKRB-UHFFFAOYSA-N L-Phenylalanine 10.2328817 165.0789866 C00079 HMDB00159 COLNVLDHVKWLRT-QMMMGPOBSA-N alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 15.93827537 272.0297653 N-Carbamyl-L-glutamate 15.25018076 190.0589841 C05829 LCQLHJZYVOQKHU-VKHMYHEASA-N Hypoxanthine 10.22818795 136.0384787 C00262 HMDB00157 FDGQSTZJBFJUBT-UHFFFAOYSA-N Maleamate 14.9201399 115.0269932 C01596 FSQQTNAZHBEJLS-UPHRSURJSA-N Leu-Lys-Pro 21.08965438 356.2423177 Val-Ala 12.19959091 188.1159581 L-Glutamine 14.96905349 146.0690941 C00064 HMDB00641 ZDXPYRJPNDTMRX-VKHMYHEASA-N CDP-ribitol 16.33902117 537.076393 C00789 DPJKHFICSGCNIR-HRENORGGSA-N 5-Nitro-2-(3-phenylpropylamino)benzoic acid 4.909320407 300.111071 C13705 WBSMIPAMAXNXFS-UHFFFAOYSA-N Norepinephrinesulfate 18.48614685 249.0308996 HMDB02062 CVJMZWLHUCMEKO-ZETCQYMHSA-N Choline 19.68091008 103.0996941 C00114 HMDB00097 OEYIOHPDSNJKLS-UHFFFAOYSA-N Biotin 8.853017107 244.0879664 C00120 HMDB00030 YBJHBAHKTGYVGT-ZKWXMUAHSA-N Thr-Thr-Asp 15.84870425 335.1328924 N6,N6,N6-Trimethyl-L-lysine 21.32134673 188.1524928 C03793 HMDB01325 MXNRLFUSFKVQSK-QMMMGPOBSA-N Asp-Leu-Lys-Asp 13.890408 489.2436033 L-Proline 12.7755513 115.0633255 C00148 HMDB00162 ONIBWKKTOPOVIA-BYPYZUCNSA-N N-Formyl-L-methionine 8.234353748 177.0459161 C03145 HMDB01015 PYUSHNKNPOHWEZ-YFKPBYRVSA-N Lys-Thr-Ser 15.41594634 334.1852836 SM(d40:2) 4.365703202 784.6470605 LMSP03010071 FOULCGVQZYQEQM-DNXGLLHMSA-N Lys-Asp 18.02081535 261.1326381 HMDB04987 OAMLVOVXNKILLQ-BQBZGAKWSA-N Decanoyl-CoA 14.17607005 921.2516437 C05274 HMDB06404 LMFA07050022 CNKJPHSEFDPYDB-BOJFXZHGSA-N Creatinine 9.786476263 113.0589027 C00791 HMDB00562 DDRJAANPRJIHGJ-UHFFFAOYSA-N N-Ethylmaleimide 12.24443284 125.0478198 C02441 HDFGOPSGAURCEO-UHFFFAOYSA-N Ala-Ala-Ala-Ser 17.79253828 318.1540892 S-Adenosyl-L-homocysteine 13.57210071 384.1216578 C00021 HMDB00939 ZJUKTBDSGOFHSH-WFMPWKQPSA-N Lotaustralin 12.87347998 261.1212445 C08334 WEWBWVMTOYUPHH-QHAQEBJBSA-N CMP 16.38478583 323.0520309 C00055 HMDB00095 IERHLVCPSMICTF-XVFCMESISA-N N2-(D-1-Carboxyethyl)-L-arginine 17.08992343 246.1329213 C04137 IMXSCCDUAFEIOE-GDVGLLTNSA-N PE(36:0) 4.115827133 747.5768828 LVNGJLRDBYCPGB-LDLOPFEMSA-N Ergothioneine 14.7461537 229.088408 C05570 HMDB03045 SSISHJJTAXXQAX-ZETCQYMHSA-O L-Alanine 14.67148587 89.04767414 C00041 HMDB00161 QNAYBMKLOCPYGJ-REOHCLBHSA-N Guanine 12.31548121 151.0494593 C00242 HMDB00132 UYTPUPDQBNUYGX-UHFFFAOYSA-N Asp-Leu-Lys-Lys 22.02257995 251.1559957 Pyridoxine 8.24081727 169.0738908 C00314 HMDB00239 LXNHXLLTXMVWPM-UHFFFAOYSA-N N-hydroxyisoleucine 12.18455899 147.0895516 YEGAKLYOVHUQIJ-UHFFFAOYSA-M Ala-Ser 21.72740523 176.0795825 cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene 13.32006104 218.0402638 C06721 OOOXLVUNFHBSNL-PRHODGIISA-N Glu-Met-Ser 11.90572206 365.125724 Vinylacetylglycine 12.16446868 143.0582761 HMDB00894 MGICTTHNDAIMFI-UHFFFAOYSA-N N-Acetylputrescine 18.437908 130.1106515 C02714 HMDB02064 KLZGKIDSEJWEDW-UHFFFAOYSA-N Ala-Asp-Ser 15.5160898 291.1068526 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 19.77212058 204.1473823 C01259 HMDB01422 ZRJHLGYVUCPZNH-MQWKRIRWSA-O Adenine 9.666707457 135.0545253 C00147 HMDB00034 GFFGJBXGBJISGV-UHFFFAOYSA-N Thr-Asp 15.46196741 234.0852066 5-Hydroxytryptophan 10.78629718 220.0847837 C01017 LDCYZAJDBXYCGN-UHFFFAOYSA-N Ala-Leu-Lys-Asp 13.35835595 445.254091 Ethanolamine phosphate 15.82747256 141.0191668 C00346 HMDB00224 SUHOOTKUPISOBE-UHFFFAOYSA-N Cer(d40:2) 3.902274658 619.5906684 LMSP02010029 HILTUFAERVOALR-MQXYEJFFSA-N DL-Methionine sulfone 11.76954213 181.0409459 UCUNFLYVYCGDHP-UHFFFAOYSA-N Cysteinyl-Hydroxyproline 8.00608417 234.0672998 8-Amino-7-oxononanoate 11.81871402 187.1209857 C01092 LMFA01060168 GUAHPAJOXVYFON-UHFFFAOYSA-N Glutathione disulfide 17.17437355 612.1521711 C00127 HMDB03337 YPZRWBKMTBYPTK-BJDJZHNGSA-N Thiamin 20.01868013 264.1046189 C00378 HMDB00235 JZRWCGZRTZMZEH-UHFFFAOYSA-N Ovothiol disulfide 15.76400124 456.161306 sn-glycero-3-Phosphoethanolamine 15.54134505 215.0559545 C01233 HMDB00114 JZNWSCPGTDBMEW-RXMQYKEDSA-N N-dimethylethanolamine 16.64034317 89.08405095 UEEJHVSXFDXPFK-UHFFFAOYSA-O N2-Acetyl-L-aminoadipate 12.19616507 203.0794712 C12986 FTTGAAZKBNZDCZ-LURJTMIESA-N gamma-Glutamyl-beta-cyanoalanine 13.69828639 243.0855907 C05711 QUAADUAOVLZBJM-UHFFFAOYSA-N Isobutyryl-L-carnitine 8.948031402 231.1470818 HMDB00736 LRCNOZRCYBNMEP-UHFFFAOYSA-N Ala-Trp-Gly-Gly 13.88946598 389.1706393 O-Acetyl-L-homoserine 11.13088541 161.0688434 C01077 FCXZBWSIAGGPCB-YFKPBYRVSA-N N5-acetyl-N5-hydroxy-L-ornithine 11.92874485 190.0952757 Tussilagine 10.48585254 199.121161 C10411 LADVYSUMGRTFSZ-QXFUBDJGSA-N N2-(D-1-Carboxyethyl)-L-lysine 17.05183895 218.1266721 C04020 ZZYYVZYAZCMNPG-RQJHMYQMSA-N 3-Amino-2-piperidone 10.73688116 114.0793557 HMDB00323 YCCMTCQQDULIFE-UHFFFAOYSA-N PE(P-34:1) 4.06369411 701.5372282 C00350 HMDB08951 LAFTYABRLNPQHQ-NHGOJEJISA-N Neuraminic acid 16.73769088 267.0955878 C06469 HMDB00830 CERZMXAJYMMUDR-QBTAGHCHSA-N Camptothecin 13.03650093 348.1103975 C01897 VSJKWCGYPAHWDS-FQEVSTJZSA-N Ala-Asp-Cys-Ser 17.08953852 394.1161208 5-6-Dihydrouridine 10.45821305 246.0854874 HMDB00497 ZPTBLXKRQACLCR-XVFCMESISA-N Ala-Val-Asp-Ser 16.89301348 390.1753647 Adenosine 9.199460005 267.0967129 C00212 HMDB00050 OIRDTQYFTABQOQ-KQYNXXCUSA-N PC(32:0) 4.12601889 733.5622301 NRPOMZRRLOEOKX-KXQOOQHDSA-N Asp-Ser 15.42741362 220.069239 GMP 16.475207 363.0580249 C00144 HMDB01397 RQFCJASXJCIDSX-UUOKFMHZSA-N N2-Succinyl-L-ornithine 13.65848652 232.1058792 C03415 HMDB01199 VWXQFHJBQHTHMK-LURJTMIESA-N Vicine 15.79978603 304.1020099 C08437 KGNGTSCIQCLKEH-SYCVNHKBSA-N 4-Aminobutanoate 15.36063795 103.0633288 C00334 HMDB00112 LMFA01100039 BTCSSZJGUNDROE-UHFFFAOYSA-N 4-Hydroxy-4-methylglutamate 12.79382353 177.0637411 C06034 ONTAOGAXMOTXQW-DZSWIPIPSA-N Acetyl-CoA 12.2135231 809.1260675 C00024 HMDB01206 LMFA07050029 ZSLZBFCDCINBPY-KMYLAXNMSA-N S-(2-Hydroxyethyl)glutathione 12.93283003 351.1101172 C14875 UUZCUSQQEJSIHR-YUMQZZPRSA-N Methyl 2-diazoacetamidohexonate 14.15646265 213.1112615 C01223 OZHCMJTXDLRZPF-ZETCQYMHSA-O PC(14:1) 4.895970757 451.3065687 LMGP01070001 AAFONNYQRYRPOU-WTYVIMSDSA-N Ala-Asp-Gly-Tyr 11.406627 424.1595057 Ophthalmicacid 13.2685989 289.1274264 HMDB05765 JCMUOFQHZLPHQP-BQBZGAKWSA-N Met-Ala-Gly 12.6421314 277.1096803 AMP 13.64144062 347.0630264 C00020 HMDB00045 UDMBCSSLTHHNCD-KQYNXXCUSA-N Ribitol 12.92584053 152.0685015 C00474 HMDB00508 HEBKCHPVOIAQTA-UHFFFAOYSA-N 2-Furoate 11.99902151 112.0160272 C01546 HMDB00617 SMNDYUVBFMFKNZ-UHFFFAOYSA-N Tiglylcarnitine 8.394592968 243.1470611 HMDB02366 WURBQCVBQNMUQT-RMKNXTFCSA-N (R)-2-Ethylmalate 13.88382331 162.0529111 C02488 YVYGHRNLPUMVBU-ZCFIWIBFSA-N Glycerophosphoglycerol 12.59396679 246.0505293 C03274 LLCSXHMJULHSJN-UHFFFAOYSA-N Pantothenate 8.738466575 219.1107257 C00864 HMDB00210 GHOKWGTUZJEAQD-ZETCQYMHSA-N Asn-Pro 13.71037667 229.106285 Hercynine 12.28098773 197.116483 C05575 GPPYTCRVKHULJH-QMMMGPOBSA-O dibenzothiophene-5-oxide 11.84448503 200.0296989 NGDPCAMPVQYGCW-UHFFFAOYSA-N Choline sulfate 11.00788436 183.0567675 C00919 WXCQAWGXWVRCGP-UHFFFAOYSA-N SM(d32:1) 4.457616562 674.5366427 LMSP03010035 RPTUKVYGSPDHGQ-PSALXKTOSA-N [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 3.907768518 647.6213302 C00195 HMDB04953 LMSP02010009 VJSBNBBOSZJDKB-KPEYJIHVSA-N Lys-Ser 16.427867 233.1376212 O-Acetylneuraminic acid 14.68796631 309.105825 C03525 BJOZNDRNJJZHPZ-LUWBGTNYSA-N Pyridoxal 8.188293105 167.0582406 C00250 HMDB01545 RADKZDMFGJYCBB-UHFFFAOYSA-N 6-Acetyl-D-glucose 14.13062001 222.0739506 C02655 ILLOJQCWUBEHBA-JAJWTYFOSA-N L-Pipecolate 12.40688209 129.0790111 C00408 HMDB00716 HXEACLLIILLPRG-YFKPBYRVSA-N NADH 13.20262861 665.1250707 C00004 HMDB01487 BOPGDPNILDQYTO-NNYOXOHSSA-N Ala-Asp-Gly 15.17322567 261.0961238 Glu-Ala-Ser 14.58650027 305.1224646 Asn-Thr-Asn-Asn 17.75958785 461.187019 Ala-Thr-Ala-Asp 17.07347068 376.1594018 PC(30:0) 4.16149099 705.5302047 LMGP01010702 RFVFQQWKPSOBED-PSXMRANNSA-N N-Sulfo-D-glucosamine 16.99567797 259.0365309 C01075 HMDB01481 PRDZVHCOEWJPOB-IVMDWMLBSA-N N,N-Dimethylglycine 13.97676158 103.0633151 C01026 HMDB00092 FFDGPVCHZBVARC-UHFFFAOYSA-N N-Ribosylhistidine 15.27689489 287.1117368 HMDB02089 TTYCFBAOLXCFAB-VAPHQMJDSA-N Asn-Asp 15.52251039 247.0804397 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 3.918032443 537.512241 C00195 HMDB04949 LMSP02010004 YDNKGFDKKRUKPY-TURZORIXSA-N Chelilutine 11.45563169 377.1258077 C12229 LZJHNXHYKRKCDZ-UHFFFAOYSA-N Hydroxybutyrylcarnitine 11.42415321 247.1421201 HMDB13127 Ala-Pro 11.41465683 186.1007029 WPWUFUBLGADILS-WDSKDSINSA-N NADPH 16.8146858 745.091394 C00005 HMDB00221 ACFIXJIJDZMPPO-NNYOXOHSSA-N N-Acetyl-D-mannosamine 12.30823628 221.0900355 C00645 HMDB11744 OVRNDRQMDRJTHS-ZTVVOAFPSA-N Ala-Asp-Asp-Cys 15.83759623 422.1108247 2-Hydroxy-cis-hex-2,4-dienoate 13.82568866 128.0473331 C11354 VPGPQVKJUYKKNN-AWYLAFAOSA-N (S)-Lactate 13.87270405 90.03165011 C00186 HMDB00190 JVTAAEKCZFNVCJ-REOHCLBHSA-N methiin 10.46352237 151.0301943 ZZLHPCSGGOGHFW-UHFFFAOYSA-N 6-methyltetrahydropterin 10.2069161 181.0962644 HMDB02249 HWOZEJJVUCALGB-UHFFFAOYSA-N 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 12.75322283 191.079446 N(alpha)-Benzyloxycarbonyl-L-leucine 8.419790313 265.1311101 C04335 USPFMEKVPDBMCG-LBPRGKRZSA-N Urolithin B 11.55364935 212.0469894 Cerulenin 10.38077012 223.1208337 C12058 GVEZIHKRYBHEFX-NQQPLRFYSA-N Sanguinarine 13.20807094 331.0844623 C06162 INVGWHRKADIJHF-UHFFFAOYSA-N D-myo-Inositol 1,2-cyclic phosphate 15.62612801 242.0192232 C04299 HMDB01125 SXHMVNXROAUURW-FTYOSCRSSA-N Lys-Thr-Val 17.4070664 346.2217678 4-Aminobutanal 10.44823076 87.0683688 C00555 HMDB01080 DZQLQEYLEYWJIB-UHFFFAOYSA-N Otonecine 11.21632449 185.1052591 C10356 GRAGROPQORVALZ-VKWJFSHESA-N 5'-Methylthioadenosine 7.662818005 297.0896869 C00170 HMDB01173 WUUGFSXJNOTRMR-IOSLPCCCSA-N Ginkgotoxin 5.03293472 183.0895988 Biotin amide 10.58672224 243.1042147 C01893 HMDB01458 XFLVBMBRLSCJAI-ZKWXMUAHSA-N N-Gluconyl ethanolamine 14.43377591 239.1002422 SM(d36:1) 4.479773665 730.5996965 C00550 HMDB12089 LMSP03010031 XYLWKHKCYHMVMA-RVPJYPCXSA-O Asp-Arg 18.11574665 289.1387392 D-Erythrose 4-phosphate 12.66300099 200.0086386 C00279 HMDB01321 NGHMDNPXVRFFGS-UHFFFAOYSA-N SM(d33:1) 4.451195202 688.5523806 LMSP03010037 CGMZWBZSOINWHL-YPDYIYJKSA-N a Cysteine adduct 14.79385998 191.0252115 Lycomarasmine B 15.61493198 277.0912725 C08496 YRSDOJQPYZOCMY-ROLXFIACSA-N 1,4-Lactone 13.85805828 86.03672947 C01770 HMDB00549 LMFA07040004 YEJRWHAVMIAJKC-UHFFFAOYSA-N [SP] Sphinganine-1-phosphate 5.016144177 381.264679 C01120 HMDB01383 LMSP01050002 YHEDRJPUIRMZMP-ZWKOTPCHSA-N Nicotinamide 7.700104078 122.0479945 C00153 HMDB01406 DFPAKSUCGFBDDF-UHFFFAOYSA-N Formyl-N-acetyl-5-methoxykynurenamine 5.009405893 264.1110849 C05642 HMDB04259 JYWNYMJKURVPFH-UHFFFAOYSA-N Tetrapentylammonium 7.666441038 297.3395765 C13815 GJSGYPDDPQRWPK-UHFFFAOYSA-N N4-Acetylaminobutanal 7.773494275 129.078979 C05936 HMDB04226 DDSLGZOYEPKPSJ-UHFFFAOYSA-N Inosine 10.91208891 268.0808651 C00294 HMDB00195 UGQMRVRMYYASKQ-KQYNXXCUSA-N N-Lignoceroylsphingosine 5.23791707 649.636056 HMDB00831 ZJVVOYPTFQEGPH-MHAUTQJVSA-N L-Glutamate 5-semialdehyde 14.38091532 131.0583401 C01165 HMDB02104 KABXUUFDPUOJMW-BYPYZUCNSA-N 4-amino-4-deoxy-L-arabinose 15.57812047 149.0688626 OEVMNXDFKAZCIM-KLVWXMOXSA-O PS(34:0) 3.782984902 763.5357503 WZFUPCSEUKNOBF-AARKOHAPSA-N [FA (5:2)] 2,4-pentadienoic acid 13.81333902 98.03674719 LMFA01030099 SDVVLIIVFBKBMG-ONEGZZNKSA-N Homostachydrine 10.11317431 157.1101171 C08283 XULZWQRXYTVUTE-ZETCQYMHSA-N SM(d34:1) 4.430059222 702.5679035 LMSP03010042 OQCPQFVKIYWGRP-GWQJGLRPSA-N Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside 20.74661935 856.2625999 N-Acetylcadaverine 10.49508648 144.1263024 HMDB02284 RMOIHHAKNOFHOE-UHFFFAOYSA-N PC(36:3) 4.583168153 783.5769796 SRIGHEHXEGELQJ-YYQUKWHJSA-N 1,6-diaminohexane 13.2630301 116.1313525 NAQMVNRVTILPCV-UHFFFAOYSA-N (R)-S-Lactoylglutathione 13.16827206 379.105008 C03451 HMDB01066 VDYDCVUWILIYQF-CSMHCCOUSA-N Chelirubine 12.46589862 361.0943759 C06327 RNSBFHHWMMKJAM-UHFFFAOYSA-N SM(d35:1) 4.456868753 716.5837445 LMSP03010044 YMQZQHIESOAPQH-JXGHDCMNSA-N 3-nitro-2-pentanol 8.715304765 133.0738981 CHOTTWGZEKCPHA-UHFFFAOYSA-N 5S-HETE di-endoperoxide 4.018314767 402.2255284 LMFA03000011 DOXGUXRZAOCYPM-IPIAXWAYSA-N Di(2-ethylhexyl) adipate 3.999194558 370.3083416 C14240 SAOKZLXYCUGLFA-UHFFFAOYSA-N METABOLITES_END #END