#METABOLOMICS WORKBENCH blumem_20220104_015655 DATATRACK_ID:3021 STUDY_ID:ST002051 ANALYSIS_ID:AN003338 PROJECT_ID:PR001297 VERSION 1 CREATED_ON January 6, 2022, 8:06 am #PROJECT PR:PROJECT_TITLE In vitro maturation of Toxoplasma gondii bradyzoites in human myotubes and their PR:PROJECT_TITLE metabolomic characterization PR:PROJECT_TYPE characterization of in vitro T. gondii stages PR:PROJECT_SUMMARY The apicomplexan parasite Toxoplasma gondii forms bradyzoite-containing tissue PR:PROJECT_SUMMARY cysts that cause chronic and drug-tolerant infections. Here, we developed a PR:PROJECT_SUMMARY human myotube-based in vitro culture model of functionally mature tissue cysts. PR:PROJECT_SUMMARY Metabolomic characterization of purified cysts reveals global changes that PR:PROJECT_SUMMARY comprise increased levels of amino acids and decreased abundance of nucleobase- PR:PROJECT_SUMMARY and tricarboxylic acid cycle-associated metabolites. In contrast to fast PR:PROJECT_SUMMARY replicating tachyzoite forms of T. gondii these tissue cysts tolerate exposure PR:PROJECT_SUMMARY to the aconitase inhibitor sodium fluoroacetate. PR:INSTITUTE Robert Koch-Institut PR:LAST_NAME Blume PR:FIRST_NAME Martin PR:ADDRESS Seestr. 10, Berlin, Berlin, 13353, Germany PR:EMAIL blumem@rki.de PR:PHONE +49 30 18754 2572 #STUDY ST:STUDY_TITLE The apicomplexan parasite Toxoplasma gondii forms bradyzoite-containing tissue ST:STUDY_TITLE cysts that cause chronic and drug-tolerant infections. ST:STUDY_SUMMARY The apicomplexan parasite Toxoplasma gondii forms bradyzoite-containing tissue ST:STUDY_SUMMARY cysts that cause chronic and drug-tolerant infections. Here, we developed a ST:STUDY_SUMMARY human myotube-based in vitro culture model of functionally mature tissue cysts. ST:STUDY_SUMMARY Metabolomic characterization of purified cysts reveals global changes that ST:STUDY_SUMMARY comprise increased levels of amino acids and decreased abundance of nucleobase- ST:STUDY_SUMMARY and tricarboxylic acid cycle-associated metabolites. In contrast to fast ST:STUDY_SUMMARY replicating tachyzoite forms of T. gondii these tissue cysts tolerate exposure ST:STUDY_SUMMARY to the aconitase inhibitor sodium fluoroacetate. ST:INSTITUTE Robert Koch-Institute ST:DEPARTMENT NG2 ST:LABORATORY NG2 ST:LAST_NAME Blume ST:FIRST_NAME Martin ST:ADDRESS Seestraße 10 ST:EMAIL blumem@rki.de ST:PHONE +49 30 18754 2572 #SUBJECT SU:SUBJECT_TYPE Other organism SU:SUBJECT_SPECIES Toxoplasma gondii SU:TAXONOMY_ID 5811 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 0424_NP_Cysten_T1_1 Factor:NP_Cysten_bead RAW_FILE_NAME=0424_NP_Cysten_T1_1 SUBJECT_SAMPLE_FACTORS - 0424_NP_Cysten_T1_2 Factor:NP_Cysten_bead RAW_FILE_NAME=0424_NP_Cysten_T1_2 SUBJECT_SAMPLE_FACTORS - 0424_NP_Cysten_T1_3 Factor:NP_Cysten_bead RAW_FILE_NAME=0424_NP_Cysten_T1_3 SUBJECT_SAMPLE_FACTORS - 0424_NP_Cysten_T1_4 Factor:NP_Cysten_bead RAW_FILE_NAME=0424_NP_Cysten_T1_4 SUBJECT_SAMPLE_FACTORS - 0424_PP_Cysten_T1_1 Factor:PP_Cysten_bead RAW_FILE_NAME=0424_PP_Cysten_T1_1 SUBJECT_SAMPLE_FACTORS - 0424_PP_Cysten_T1_2 Factor:PP_Cysten_bead RAW_FILE_NAME=0424_PP_Cysten_T1_2 SUBJECT_SAMPLE_FACTORS - 0424_PP_Cysten_T1_3 Factor:PP_Cysten_bead RAW_FILE_NAME=0424_PP_Cysten_T1_3 SUBJECT_SAMPLE_FACTORS - 0424_PP_Cysten_T1_4 Factor:PP_Cysten_bead RAW_FILE_NAME=0424_PP_Cysten_T1_4 SUBJECT_SAMPLE_FACTORS - 0424_Blank_1 Factor:Blank RAW_FILE_NAME=0424_Blank_1 SUBJECT_SAMPLE_FACTORS - 0424_Blank_2 Factor:Blank RAW_FILE_NAME=0424_Blank_2 SUBJECT_SAMPLE_FACTORS - 0424_Blank_3 Factor:Blank RAW_FILE_NAME=0424_Blank_3 SUBJECT_SAMPLE_FACTORS - 0424_Blank_4 Factor:Blank RAW_FILE_NAME=0424_Blank_4 SUBJECT_SAMPLE_FACTORS - 0424_NP_T1 Factor:NP_bead RAW_FILE_NAME=0424_NP_T1 SUBJECT_SAMPLE_FACTORS - 0424_PP_T1 Factor:PP_bead RAW_FILE_NAME=0424_PP_T1 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_HFF_1 Factor:NP_Tachy_HFF RAW_FILE_NAME=0424_NP_Tachy_HFF_1 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_HFF_2 Factor:NP_Tachy_HFF RAW_FILE_NAME=0424_NP_Tachy_HFF_2 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_HFF_3 Factor:NP_Tachy_HFF RAW_FILE_NAME=0424_NP_Tachy_HFF_3 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_HFF_4 Factor:NP_Tachy_HFF RAW_FILE_NAME=0424_NP_Tachy_HFF_4 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_HFF_1 Factor:PP_Tachy_HFF RAW_FILE_NAME=0424_PP_Tachy_HFF_1 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_HFF_2 Factor:PP_Tachy_HFF RAW_FILE_NAME=0424_PP_Tachy_HFF_2 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_HFF_3 Factor:PP_Tachy_HFF RAW_FILE_NAME=0424_PP_Tachy_HFF_3 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_HFF_4 Factor:PP_Tachy_HFF RAW_FILE_NAME=0424_PP_Tachy_HFF_4 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_HFF_T1_1 Factor:NP_Tachy_HFF_bead RAW_FILE_NAME=0424_NP_Tachy_HFF_T1_1 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_HFF_T1_2 Factor:NP_Tachy_HFF_bead RAW_FILE_NAME=0424_NP_Tachy_HFF_T1_2 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_HFF_T1_3 Factor:NP_Tachy_HFF_bead RAW_FILE_NAME=0424_NP_Tachy_HFF_T1_3 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_HFF_T1_4 Factor:NP_Tachy_HFF_bead RAW_FILE_NAME=0424_NP_Tachy_HFF_T1_4 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_HFF_T1_1 Factor:PP_Tachy_HFF_bead RAW_FILE_NAME=0424_PP_Tachy_HFF_T1_1 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_HFF_T1_2 Factor:PP_Tachy_HFF_bead RAW_FILE_NAME=0424_PP_Tachy_HFF_T1_2 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_HFF_T1_3 Factor:PP_Tachy_HFF_bead RAW_FILE_NAME=0424_PP_Tachy_HFF_T1_3 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_HFF_T1_4 Factor:PP_Tachy_HFF_bead RAW_FILE_NAME=0424_PP_Tachy_HFF_T1_4 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_Tubes_1 Factor:NP_Tachy_Tubes RAW_FILE_NAME=0424_NP_Tachy_Tubes_1 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_Tubes_2 Factor:NP_Tachy_Tubes RAW_FILE_NAME=0424_NP_Tachy_Tubes_2 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_Tubes_3 Factor:NP_Tachy_Tubes RAW_FILE_NAME=0424_NP_Tachy_Tubes_3 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_Tubes_4 Factor:NP_Tachy_Tubes RAW_FILE_NAME=0424_NP_Tachy_Tubes_4 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_Tubes_1 Factor:PP_Tachy_Tubes RAW_FILE_NAME=0424_PP_Tachy_Tubes_1 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_Tubes_2 Factor:PP_Tachy_Tubes RAW_FILE_NAME=0424_PP_Tachy_Tubes_2 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_Tubes_3 Factor:PP_Tachy_Tubes RAW_FILE_NAME=0424_PP_Tachy_Tubes_3 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_Tubes_4 Factor:PP_Tachy_Tubes RAW_FILE_NAME=0424_PP_Tachy_Tubes_4 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_Tubes_T1_1 Factor:NP_Tachy_Tubes_bead RAW_FILE_NAME=0424_NP_Tachy_Tubes_T1_1 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_Tubes_T1_2 Factor:NP_Tachy_Tubes_bead RAW_FILE_NAME=0424_NP_Tachy_Tubes_T1_2 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_Tubes_T1_3 Factor:NP_Tachy_Tubes_bead RAW_FILE_NAME=0424_NP_Tachy_Tubes_T1_3 SUBJECT_SAMPLE_FACTORS - 0424_NP_Tachy_Tubes_T1_4 Factor:NP_Tachy_Tubes_bead RAW_FILE_NAME=0424_NP_Tachy_Tubes_T1_4 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_Tubes_T1_1 Factor:PP_Tachy_Tubes_bead RAW_FILE_NAME=0424_PP_Tachy_Tubes_T1_1 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_Tubes_T1_2 Factor:PP_Tachy_Tubes_bead RAW_FILE_NAME=0424_PP_Tachy_Tubes_T1_2 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_Tubes_T1_3 Factor:PP_Tachy_Tubes_bead RAW_FILE_NAME=0424_PP_Tachy_Tubes_T1_3 SUBJECT_SAMPLE_FACTORS - 0424_PP_Tachy_Tubes_T1_4 Factor:PP_Tachy_Tubes_bead RAW_FILE_NAME=0424_PP_Tachy_Tubes_T1_4 SUBJECT_SAMPLE_FACTORS - 0424_NP_uninf_T1_1 Factor:NP_uninf_bead RAW_FILE_NAME=0424_NP_uninf_T1_1 SUBJECT_SAMPLE_FACTORS - 0424_NP_uninf_T1_2 Factor:NP_uninf_bead RAW_FILE_NAME=0424_NP_uninf_T1_2 SUBJECT_SAMPLE_FACTORS - 0424_NP_uninf_T1_3 Factor:NP_uninf_bead RAW_FILE_NAME=0424_NP_uninf_T1_3 SUBJECT_SAMPLE_FACTORS - 0424_NP_uninf_T1_4 Factor:NP_uninf_bead RAW_FILE_NAME=0424_NP_uninf_T1_4 SUBJECT_SAMPLE_FACTORS - 0424_PP_uninf_T1_1 Factor:PP_uninf_bead RAW_FILE_NAME=0424_PP_uninf_T1_1 SUBJECT_SAMPLE_FACTORS - 0424_PP_uninf_T1_2 Factor:PP_uninf_bead RAW_FILE_NAME=0424_PP_uninf_T1_2 SUBJECT_SAMPLE_FACTORS - 0424_PP_uninf_T1_3 Factor:PP_uninf_bead RAW_FILE_NAME=0424_PP_uninf_T1_3 SUBJECT_SAMPLE_FACTORS - 0424_PP_uninf_T1_4 Factor:PP_uninf_bead RAW_FILE_NAME=0424_PP_uninf_T1_4 SUBJECT_SAMPLE_FACTORS - 0427_NP_Cysten_T1_1 Factor:NP_Cysten_bead RAW_FILE_NAME=0427_NP_Cysten_T1_1 SUBJECT_SAMPLE_FACTORS - 0427_NP_Cysten_T1_2 Factor:NP_Cysten_bead RAW_FILE_NAME=0427_NP_Cysten_T1_2 SUBJECT_SAMPLE_FACTORS - 0427_NP_Cysten_T1_3 Factor:NP_Cysten_bead RAW_FILE_NAME=0427_NP_Cysten_T1_3 SUBJECT_SAMPLE_FACTORS - 0427_NP_Cysten_T1_4 Factor:NP_Cysten_bead RAW_FILE_NAME=0427_NP_Cysten_T1_4 SUBJECT_SAMPLE_FACTORS - 0427_PP_Cysten_T1_1 Factor:PP_Cysten_bead RAW_FILE_NAME=0427_PP_Cysten_T1_1 SUBJECT_SAMPLE_FACTORS - 0427_PP_Cysten_T1_2 Factor:PP_Cysten_bead RAW_FILE_NAME=0427_PP_Cysten_T1_2 SUBJECT_SAMPLE_FACTORS - 0427_PP_Cysten_T1_3 Factor:PP_Cysten_bead RAW_FILE_NAME=0427_PP_Cysten_T1_3 SUBJECT_SAMPLE_FACTORS - 0427_PP_Cysten_T1_4 Factor:PP_Cysten_bead RAW_FILE_NAME=0427_PP_Cysten_T1_4 SUBJECT_SAMPLE_FACTORS - 0427_Blank_1 Factor:Blank RAW_FILE_NAME=0427_Blank_1 SUBJECT_SAMPLE_FACTORS - 0427_Blank_2 Factor:Blank RAW_FILE_NAME=0427_Blank_2 SUBJECT_SAMPLE_FACTORS - 0427_Blank_3 Factor:Blank RAW_FILE_NAME=0427_Blank_3 SUBJECT_SAMPLE_FACTORS - 0427_Blank_4 Factor:Blank RAW_FILE_NAME=0427_Blank_4 SUBJECT_SAMPLE_FACTORS - 0427_NP_T1 Factor:NP_bead RAW_FILE_NAME=0427_NP_T1 SUBJECT_SAMPLE_FACTORS - 0427_PP_T1 Factor:PP_bead RAW_FILE_NAME=0427_PP_T1 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_HFF_1 Factor:NP_Tachy_HFF RAW_FILE_NAME=0427_NP_Tachy_HFF_1 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_HFF_2 Factor:NP_Tachy_HFF RAW_FILE_NAME=0427_NP_Tachy_HFF_2 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_HFF_3 Factor:NP_Tachy_HFF RAW_FILE_NAME=0427_NP_Tachy_HFF_3 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_HFF_4 Factor:NP_Tachy_HFF RAW_FILE_NAME=0427_NP_Tachy_HFF_4 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_HFF_1 Factor:PP_Tachy_HFF RAW_FILE_NAME=0427_PP_Tachy_HFF_1 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_HFF_2 Factor:PP_Tachy_HFF RAW_FILE_NAME=0427_PP_Tachy_HFF_2 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_HFF_3 Factor:PP_Tachy_HFF RAW_FILE_NAME=0427_PP_Tachy_HFF_3 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_HFF_4 Factor:PP_Tachy_HFF RAW_FILE_NAME=0427_PP_Tachy_HFF_4 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_HFF_T1_1 Factor:NP_Tachy_HFF_bead RAW_FILE_NAME=0427_NP_Tachy_HFF_T1_1 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_HFF_T1_2 Factor:NP_Tachy_HFF_bead RAW_FILE_NAME=0427_NP_Tachy_HFF_T1_2 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_HFF_T1_3 Factor:NP_Tachy_HFF_bead RAW_FILE_NAME=0427_NP_Tachy_HFF_T1_3 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_HFF_T1_4 Factor:NP_Tachy_HFF_bead RAW_FILE_NAME=0427_NP_Tachy_HFF_T1_4 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_HFF_T1_1 Factor:PP_Tachy_HFF_bead RAW_FILE_NAME=0427_PP_Tachy_HFF_T1_1 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_HFF_T1_2 Factor:PP_Tachy_HFF_bead RAW_FILE_NAME=0427_PP_Tachy_HFF_T1_2 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_HFF_T1_3 Factor:PP_Tachy_HFF_bead RAW_FILE_NAME=0427_PP_Tachy_HFF_T1_3 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_HFF_T1_4 Factor:PP_Tachy_HFF_bead RAW_FILE_NAME=0427_PP_Tachy_HFF_T1_4 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_Tubes_1 Factor:NP_Tachy_Tubes RAW_FILE_NAME=0427_NP_Tachy_Tubes_1 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_Tubes_2 Factor:NP_Tachy_Tubes RAW_FILE_NAME=0427_NP_Tachy_Tubes_2 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_Tubes_3 Factor:NP_Tachy_Tubes RAW_FILE_NAME=0427_NP_Tachy_Tubes_3 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_Tubes_4 Factor:NP_Tachy_Tubes RAW_FILE_NAME=0427_NP_Tachy_Tubes_4 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_Tubes_1 Factor:PP_Tachy_Tubes RAW_FILE_NAME=0427_PP_Tachy_Tubes_1 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_Tubes_2 Factor:PP_Tachy_Tubes RAW_FILE_NAME=0427_PP_Tachy_Tubes_2 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_Tubes_3 Factor:PP_Tachy_Tubes RAW_FILE_NAME=0427_PP_Tachy_Tubes_3 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_Tubes_4 Factor:PP_Tachy_Tubes RAW_FILE_NAME=0427_PP_Tachy_Tubes_4 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_Tubes_T1_1 Factor:NP_Tachy_Tubes_bead RAW_FILE_NAME=0427_NP_Tachy_Tubes_T1_1 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_Tubes_T1_2 Factor:NP_Tachy_Tubes_bead RAW_FILE_NAME=0427_NP_Tachy_Tubes_T1_2 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_Tubes_T1_3 Factor:NP_Tachy_Tubes_bead RAW_FILE_NAME=0427_NP_Tachy_Tubes_T1_3 SUBJECT_SAMPLE_FACTORS - 0427_NP_Tachy_Tubes_T1_4 Factor:NP_Tachy_Tubes_bead RAW_FILE_NAME=0427_NP_Tachy_Tubes_T1_4 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_Tubes_T1_1 Factor:PP_Tachy_Tubes_bead RAW_FILE_NAME=0427_PP_Tachy_Tubes_T1_1 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_Tubes_T1_2 Factor:PP_Tachy_Tubes_bead RAW_FILE_NAME=0427_PP_Tachy_Tubes_T1_2 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_Tubes_T1_3 Factor:PP_Tachy_Tubes_bead RAW_FILE_NAME=0427_PP_Tachy_Tubes_T1_3 SUBJECT_SAMPLE_FACTORS - 0427_PP_Tachy_Tubes_T1_4 Factor:PP_Tachy_Tubes_bead RAW_FILE_NAME=0427_PP_Tachy_Tubes_T1_4 SUBJECT_SAMPLE_FACTORS - 0427_NP_uninf_T1_1 Factor:NP_uninf_bead RAW_FILE_NAME=0427_NP_uninf_T1_1 SUBJECT_SAMPLE_FACTORS - 0427_NP_uninf_T1_2 Factor:NP_uninf_bead RAW_FILE_NAME=0427_NP_uninf_T1_2 SUBJECT_SAMPLE_FACTORS - 0427_NP_uninf_T1_3 Factor:NP_uninf_bead RAW_FILE_NAME=0427_NP_uninf_T1_3 SUBJECT_SAMPLE_FACTORS - 0427_NP_uninf_T1_4 Factor:NP_uninf_bead RAW_FILE_NAME=0427_NP_uninf_T1_4 SUBJECT_SAMPLE_FACTORS - 0427_PP_uninf_T1_1 Factor:PP_uninf_bead RAW_FILE_NAME=0427_PP_uninf_T1_1 SUBJECT_SAMPLE_FACTORS - 0427_PP_uninf_T1_2 Factor:PP_uninf_bead RAW_FILE_NAME=0427_PP_uninf_T1_2 SUBJECT_SAMPLE_FACTORS - 0427_PP_uninf_T1_3 Factor:PP_uninf_bead RAW_FILE_NAME=0427_PP_uninf_T1_3 SUBJECT_SAMPLE_FACTORS - 0427_PP_uninf_T1_4 Factor:PP_uninf_bead RAW_FILE_NAME=0427_PP_uninf_T1_4 #COLLECTION CO:COLLECTION_SUMMARY For metabolome measurements of tissue cysts and tachyzoites, tachyzoite CO:COLLECTION_SUMMARY isolation, cyst maturation and isolation were performed as described above. CO:COLLECTION_SUMMARY Metabolites were extracted in 80 % acetonitrile (Carl Roth) and 20 % water (Carl CO:COLLECTION_SUMMARY Roth) containing internal standards (phenolphthalein, CAPS, PIPES CO:COLLECTION_SUMMARY (Sigma-Aldrich)). Cell pellets were sonicated for 5 min and after centrifugation CO:COLLECTION_SUMMARY (21,500 x g, 5 min, 0 °C), the supernatants were transferred to MS vials for CO:COLLECTION_SUMMARY immediate LC/MS analysis. 5 µl of each sample were collected to generate a CO:COLLECTION_SUMMARY pooled biological quality control (PBQC). 20 µl of the in vitro cysts, bead CO:COLLECTION_SUMMARY control and host cell background samples, and 5 µl of the tachyzoite samples CO:COLLECTION_SUMMARY were injected. The injection order of the samples was randomized, blanks and CO:COLLECTION_SUMMARY PBQCs were injected periodically. The samples were analyzed on a Q-Exactive Plus CO:COLLECTION_SUMMARY mass spectrometer (Thermo Fisher Scientific) via 70k MS1 scans, with CO:COLLECTION_SUMMARY intermittent 35k data-dependent 35k MS2 scans in positive and negative mode CO:COLLECTION_SUMMARY separately. Chromatographic separation was achieved on a Vanquish Flex fitted CO:COLLECTION_SUMMARY with an ACQUITY UPLC BEH Amide column (Waters). Running a 25 min linear gradient CO:COLLECTION_SUMMARY starting with 90 % eluent A (10 mM ammonium carbonate in acetonitrile) / 10 % CO:COLLECTION_SUMMARY eluent B (10 mM ammonium carbonate in water) and ending with 40 % eluent A / 60 CO:COLLECTION_SUMMARY % eluent B, followed by washing and equilibration steps. XCalibur 4.2.47 CO:COLLECTION_SUMMARY software and Compound Discoverer 3.1 software (Thermo Fisher Scientific) was CO:COLLECTION_SUMMARY used for recording and used for peak detection, combination of adducts and CO:COLLECTION_SUMMARY compound annotation, respectively. Metabolite identifications were based on CO:COLLECTION_SUMMARY either retention time and accurate mass match to an in-house library of 160 CO:COLLECTION_SUMMARY authentic standards, or by matching accurate mass and MS2 fragments to m/z cloud CO:COLLECTION_SUMMARY database (mirrored offline in m/z vault v 2.1.22.15 in May 2020) (Thermo Fisher CO:COLLECTION_SUMMARY Scientific). CO:SAMPLE_TYPE Cultured human myotubes with Toxoplasma gondii #TREATMENT TR:TREATMENT_SUMMARY Cells were either uninfected, tachyzoites, tachyzoites with beads, bradyzoites TR:TREATMENT_SUMMARY (cysts), beads only #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Uninfected and infected myotubes were prepared. In both cases, two T150 dishes SP:SAMPLEPREP_SUMMARY were pooled into one sample. For bradyzoite samples, myotubes were infected with SP:SAMPLEPREP_SUMMARY 3.2*106 Pru-tdTomato tachyzoites corresponding to a MOI of 0.3 and cyst SP:SAMPLEPREP_SUMMARY formation was induced for indicated time. On the day of harvest, infected SP:SAMPLEPREP_SUMMARY samples and uninfected host cell controls were placed on ice, medium was removed SP:SAMPLEPREP_SUMMARY and monolayers were washed three times with ice-cold PBS. Cells were then SP:SAMPLEPREP_SUMMARY harvested by scraping into 10 ml ice-cold 0.05 % BSA in PBS per T150 dish. Cysts SP:SAMPLEPREP_SUMMARY were released from the monolayer via forcing through a 23G needle (Sterican®) SP:SAMPLEPREP_SUMMARY 25 times with a syringe and collected via centrifugation (1,200 x g, 10 min, 0 SP:SAMPLEPREP_SUMMARY °C). The supernatant was removed, the pellet was resuspended carefully in SP:SAMPLEPREP_SUMMARY ice-cold 2 % BSA in PBS containing 200 µl DBA-coupled beads (preparation SP:SAMPLEPREP_SUMMARY described below) and samples were incubated for 1 h at 4 °C with gentle SP:SAMPLEPREP_SUMMARY shaking. Subsequently, the samples were placed in a magnetic stand on ice, SP:SAMPLEPREP_SUMMARY washed five times with 0.1 % BSA in PBS to remove cell debris, followed by two SP:SAMPLEPREP_SUMMARY washing steps with PBS to remove residual BSA. Cysts and beads were then SP:SAMPLEPREP_SUMMARY collected via centrifugation (1,200 x g, 10 min, 0 °C), shock frozen in liquid SP:SAMPLEPREP_SUMMARY nitrogen and stored at -80 °C until extraction. Tachyzoite samples were SP:SAMPLEPREP_SUMMARY generated in T150 dishes by infecting myotubes and HFF cells with 3.2*107 SP:SAMPLEPREP_SUMMARY tachyzoites corresponding to an MOI of 3 for 48 h. Medium was replaced by SP:SAMPLEPREP_SUMMARY ice-cold PBS and monolayers were scraped and passaged through a 27G needle. SP:SAMPLEPREP_SUMMARY Tachyzoites were filter-purified through a 3 µm filter (Whatman) and PBS-washed SP:SAMPLEPREP_SUMMARY by centrifugation (1,200 x g, 10 min, 0 °C) three times. All samples were SP:SAMPLEPREP_SUMMARY extracted simultaneously in 80 % acetonitrile for LC/MS analysis as described SP:SAMPLEPREP_SUMMARY below. Bead-only controls were processed equally. Bead-supplemented tachyzoite SP:SAMPLEPREP_SUMMARY controls were processed equally to cyst samples, replacing washing steps via SP:SAMPLEPREP_SUMMARY magnetic stand by centrifugation (1,200 x g, 10 min, 0 °C). Preparation of SP:SAMPLEPREP_SUMMARY beads Coupling of DynabeadsTM MyONETM Streptavdin T1 (Thermo Fisher Scientific) SP:SAMPLEPREP_SUMMARY to DBA was done as described in the manufacturer's protocol. Briefly, 200 µl SP:SAMPLEPREP_SUMMARY beads/sample were resuspended in 1 ml PBS by vortexing, washed three times with SP:SAMPLEPREP_SUMMARY PBS in a magnetic stand and resuspended in 1 ml PBS containing 50 µg DBA / SP:SAMPLEPREP_SUMMARY sample. The tube containing the DBA-magnetic bead mixture was incubated on a SP:SAMPLEPREP_SUMMARY rotary mixer for 45 min at RT. Uncoupled DBA was removed by washing the coated SP:SAMPLEPREP_SUMMARY beads three times with PBS. After washing, the DBA-coated beads were resuspended SP:SAMPLEPREP_SUMMARY in 2 ml PBS containing 2 % BSA. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation was achieved on a Vanquish Flex fitted with an CH:CHROMATOGRAPHY_SUMMARY ACQUITY UPLC BEH Amide column (Waters). Running a 25 min linear gradient CH:CHROMATOGRAPHY_SUMMARY starting with 90 % eluent A (10 mM ammonium carbonate in acetonitrile) / 10 % CH:CHROMATOGRAPHY_SUMMARY eluent B (10 mM ammonium carbonate in water) and ending with 40 % eluent A / 60 CH:CHROMATOGRAPHY_SUMMARY % eluent B, followed by washing and equilibration steps. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters Acquity BEH Amide (150 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The injection order of the samples was randomized, blanks and PBQCs were MS:MS_COMMENTS injected periodically. The samples were analyzed on a Q-Exactive Plus mass MS:MS_COMMENTS spectrometer (Thermo Fisher Scientific) via 70k MS1 scans, with intermittent 35k MS:MS_COMMENTS data-dependent 35k MS2 scans in positive and negative mode separately.XCalibur MS:MS_COMMENTS 4.2.47 software and Compound Discoverer 3.1 software (Thermo Fisher Scientific) MS:MS_COMMENTS was used for recording and used for peak detection, combination of adducts and MS:MS_COMMENTS compound annotation, respectively. Metabolite identifications were based on MS:MS_COMMENTS either retention time and accurate mass match to an in-house library of 160 MS:MS_COMMENTS authentic standards, or by matching accurate mass and MS2 fragments to m/z cloud MS:MS_COMMENTS database (mirrored offline in m/z vault v 2.1.22.15 in May 2020) (Thermo Fisher MS:MS_COMMENTS Scientific). Data were exported to Excel for grouping, combination of datasets MS:MS_COMMENTS from positive and negative ionization runs and blank subtraction. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts MS_METABOLITE_DATA_START Samples 0424_NP_Cysten_T1_1 0424_NP_Cysten_T1_2 0424_NP_Cysten_T1_3 0424_NP_Cysten_T1_4 0424_PP_Cysten_T1_1 0424_PP_Cysten_T1_2 0424_PP_Cysten_T1_3 0424_PP_Cysten_T1_4 0424_Blank_1 0424_Blank_2 0424_Blank_3 0424_Blank_4 0424_NP_T1 0424_PP_T1 0424_NP_Tachy_HFF_1 0424_NP_Tachy_HFF_2 0424_NP_Tachy_HFF_3 0424_NP_Tachy_HFF_4 0424_PP_Tachy_HFF_1 0424_PP_Tachy_HFF_2 0424_PP_Tachy_HFF_3 0424_PP_Tachy_HFF_4 0424_NP_Tachy_HFF_T1_1 0424_NP_Tachy_HFF_T1_2 0424_NP_Tachy_HFF_T1_3 0424_NP_Tachy_HFF_T1_4 0424_PP_Tachy_HFF_T1_1 0424_PP_Tachy_HFF_T1_2 0424_PP_Tachy_HFF_T1_3 0424_PP_Tachy_HFF_T1_4 0424_NP_Tachy_Tubes_1 0424_NP_Tachy_Tubes_2 0424_NP_Tachy_Tubes_3 0424_NP_Tachy_Tubes_4 0424_PP_Tachy_Tubes_1 0424_PP_Tachy_Tubes_2 0424_PP_Tachy_Tubes_3 0424_PP_Tachy_Tubes_4 0424_NP_Tachy_Tubes_T1_1 0424_NP_Tachy_Tubes_T1_2 0424_NP_Tachy_Tubes_T1_3 0424_NP_Tachy_Tubes_T1_4 0424_PP_Tachy_Tubes_T1_1 0424_PP_Tachy_Tubes_T1_2 0424_PP_Tachy_Tubes_T1_3 0424_PP_Tachy_Tubes_T1_4 0424_NP_uninf_T1_1 0424_NP_uninf_T1_2 0424_NP_uninf_T1_3 0424_NP_uninf_T1_4 0424_PP_uninf_T1_1 0424_PP_uninf_T1_2 0424_PP_uninf_T1_3 0424_PP_uninf_T1_4 0427_NP_Cysten_T1_1 0427_NP_Cysten_T1_2 0427_NP_Cysten_T1_3 0427_NP_Cysten_T1_4 0427_PP_Cysten_T1_1 0427_PP_Cysten_T1_2 0427_PP_Cysten_T1_3 0427_PP_Cysten_T1_4 0427_Blank_1 0427_Blank_2 0427_Blank_3 0427_Blank_4 0427_NP_T1 0427_PP_T1 0427_NP_Tachy_HFF_1 0427_NP_Tachy_HFF_2 0427_NP_Tachy_HFF_3 0427_NP_Tachy_HFF_4 0427_PP_Tachy_HFF_1 0427_PP_Tachy_HFF_2 0427_PP_Tachy_HFF_3 0427_PP_Tachy_HFF_4 0427_NP_Tachy_HFF_T1_1 0427_NP_Tachy_HFF_T1_2 0427_NP_Tachy_HFF_T1_3 0427_NP_Tachy_HFF_T1_4 0427_PP_Tachy_HFF_T1_1 0427_PP_Tachy_HFF_T1_2 0427_PP_Tachy_HFF_T1_3 0427_PP_Tachy_HFF_T1_4 0427_NP_Tachy_Tubes_1 0427_NP_Tachy_Tubes_2 0427_NP_Tachy_Tubes_3 0427_NP_Tachy_Tubes_4 0427_PP_Tachy_Tubes_1 0427_PP_Tachy_Tubes_2 0427_PP_Tachy_Tubes_3 0427_PP_Tachy_Tubes_4 0427_NP_Tachy_Tubes_T1_1 0427_NP_Tachy_Tubes_T1_2 0427_NP_Tachy_Tubes_T1_3 0427_NP_Tachy_Tubes_T1_4 0427_PP_Tachy_Tubes_T1_1 0427_PP_Tachy_Tubes_T1_2 0427_PP_Tachy_Tubes_T1_3 0427_PP_Tachy_Tubes_T1_4 0427_NP_uninf_T1_1 0427_NP_uninf_T1_2 0427_NP_uninf_T1_3 0427_NP_uninf_T1_4 0427_PP_uninf_T1_1 0427_PP_uninf_T1_2 0427_PP_uninf_T1_3 0427_PP_uninf_T1_4 Factors Factor:NP_Cysten_bead Factor:NP_Cysten_bead Factor:NP_Cysten_bead Factor:NP_Cysten_bead Factor:PP_Cysten_bead Factor:PP_Cysten_bead Factor:PP_Cysten_bead Factor:PP_Cysten_bead Factor:Blank Factor:Blank Factor:Blank Factor:Blank Factor:NP_bead Factor:PP_bead Factor:NP_Tachy_HFF Factor:NP_Tachy_HFF Factor:NP_Tachy_HFF Factor:NP_Tachy_HFF Factor:PP_Tachy_HFF Factor:PP_Tachy_HFF Factor:PP_Tachy_HFF Factor:PP_Tachy_HFF Factor:NP_Tachy_HFF_bead Factor:NP_Tachy_HFF_bead Factor:NP_Tachy_HFF_bead Factor:NP_Tachy_HFF_bead Factor:PP_Tachy_HFF_bead Factor:PP_Tachy_HFF_bead Factor:PP_Tachy_HFF_bead Factor:PP_Tachy_HFF_bead Factor:NP_Tachy_Tubes Factor:NP_Tachy_Tubes Factor:NP_Tachy_Tubes Factor:NP_Tachy_Tubes Factor:PP_Tachy_Tubes Factor:PP_Tachy_Tubes Factor:PP_Tachy_Tubes Factor:PP_Tachy_Tubes Factor:NP_Tachy_Tubes_bead Factor:NP_Tachy_Tubes_bead Factor:NP_Tachy_Tubes_bead Factor:NP_Tachy_Tubes_bead Factor:PP_Tachy_Tubes_bead Factor:PP_Tachy_Tubes_bead Factor:PP_Tachy_Tubes_bead Factor:PP_Tachy_Tubes_bead Factor:NP_uninf_bead Factor:NP_uninf_bead Factor:NP_uninf_bead Factor:NP_uninf_bead Factor:PP_uninf_bead Factor:PP_uninf_bead Factor:PP_uninf_bead Factor:PP_uninf_bead Factor:NP_Cysten_bead Factor:NP_Cysten_bead Factor:NP_Cysten_bead Factor:NP_Cysten_bead Factor:PP_Cysten_bead Factor:PP_Cysten_bead Factor:PP_Cysten_bead Factor:PP_Cysten_bead Factor:Blank Factor:Blank Factor:Blank Factor:Blank Factor:NP_bead Factor:PP_bead Factor:NP_Tachy_HFF Factor:NP_Tachy_HFF Factor:NP_Tachy_HFF Factor:NP_Tachy_HFF Factor:PP_Tachy_HFF Factor:PP_Tachy_HFF Factor:PP_Tachy_HFF Factor:PP_Tachy_HFF Factor:NP_Tachy_HFF_bead Factor:NP_Tachy_HFF_bead Factor:NP_Tachy_HFF_bead Factor:NP_Tachy_HFF_bead Factor:PP_Tachy_HFF_bead Factor:PP_Tachy_HFF_bead Factor:PP_Tachy_HFF_bead Factor:PP_Tachy_HFF_bead Factor:NP_Tachy_Tubes Factor:NP_Tachy_Tubes Factor:NP_Tachy_Tubes Factor:NP_Tachy_Tubes Factor:PP_Tachy_Tubes Factor:PP_Tachy_Tubes Factor:PP_Tachy_Tubes Factor:PP_Tachy_Tubes Factor:NP_Tachy_Tubes_bead Factor:NP_Tachy_Tubes_bead Factor:NP_Tachy_Tubes_bead Factor:NP_Tachy_Tubes_bead Factor:PP_Tachy_Tubes_bead Factor:PP_Tachy_Tubes_bead Factor:PP_Tachy_Tubes_bead Factor:PP_Tachy_Tubes_bead Factor:NP_uninf_bead Factor:NP_uninf_bead Factor:NP_uninf_bead Factor:NP_uninf_bead Factor:PP_uninf_bead Factor:PP_uninf_bead Factor:PP_uninf_bead Factor:PP_uninf_bead 1792886 7261495.626 5415252.19 7631316.938 8653824.586 9410060.866 7757709.617 6990448.908 3121297.646 1794967 22471267.67 16072427.65 7777216.734 19813979.27 12938601.43 20033740.65 18922667.63 16633442.04 11752031.7 14845603.01 14307556.52 15526190.01 14036452.46 14455531.29 14004991.84 13437322.79 20118461.43 12759140.38 20913342.97 11040532.35 24422424.66 23299229.45 19028871.53 27576361.88 19586407.12 20168326.52 18137587.78 18901025.58 13273994.68 12475256.13 11977797.27 10241828.25 10468517.78 2-Oxoglutaric acid 107746229.7 63168495.45 73058031.99 5455944.695 211042974.7 73131729.48 214902262.4 211772453.5 219781474.5 211890982.6 209289021.3 68285132.18 37275810.77 51048845.74 36663802.9 490441219.6 60126748.59 458142569.8 454641525.3 500616070.5 437190179.8 521446984.6 292994672.3 16502779.64 298069187.3 304629941.2 31125266.25 320229326.9 307939397.8 337083265 Acetamidobutanoate 3091229.482 3915392.785 41141281.38 115894917.5 28468049.11 5874375.906 7948493.464 13091635.54 12368148.69 3397359.279 1513562.356 5508918.754 3669224.699 3087798.195 3334662.218 3458704.362 5071496.539 5143926.096 4320180.092 13129917.22 8956040.913 12128891.55 10284523.37 11560279.35 15642948.88 14826596.06 12102994.92 8011221.16 8284684.369 9711679.886 10022302.48 11130628.55 10135671.67 11641945.65 Acetylaminoadipic acid 4891123.646 5021160.641 6875361.593 4792218.733 4809407.367 8434281.276 240626310.3 264335444.3 222447800.2 290221084.4 360586870.4 299912970.1 297640349 262130658.9 125654692.8 241775243 215838239.9 206195486.7 125242497.4 187019756 108493627.3 79838684.75 Acetylarginine 5916701.555 7164955.26 36212951.6 28817957.86 29495988.23 30746252.24 23730174.55 25869065.44 10909268.39 11117321.5 10107155.8 11024782.22 9568151.898 8059930.793 12774971.91 9808270.428 46432073.7 34963980.54 43651847.35 38454208.96 32408981.74 33300889.45 9212405.642 9845780.389 9587098.685 10277069.78 9336725.842 10794828.1 9888993.819 Acetylasparagine 4818268.032 4912013.561 3816923.119 5577880.814 3940755.986 3374816.765 4335588.467 5886089.973 6198316.93 7779124.705 4993031.837 4301377.803 2581830.805 7018945.913 5159735.785 6123394.959 5757360.779 1685274.408 1918968.708 3724587.913 1898140.836 1929531.166 2297696.935 1664634.045 2372198.272 2991799.516 3169784.663 1963087.108 2191339.607 Acetylaspartic acid 105903353.6 110774995.1 99910633.35 101067128.7 180251207.8 192046309.8 217881700.1 191931857.2 179938320.1 173303809.3 158726507.5 186437703.3 Acetylaspartylglutamic acid 9377700.573 58020535.3 74769124.34 13340313.58 10126615.36 3627711.639 52120240.36 61417082.94 13896998.04 Acetyl-Carnitine 331658667.7 118102554.6 156285864.2 682225300.3 95954807.47 92320694.6 95502090.01 85332997.27 83502355.01 73848316.69 83462941.59 275326159.3 297012008.2 271966033 294493838 207228363.8 203180250.6 308587709.4 226366839.4 4674389.893 101674020 108894118.8 474865110.1 174739992.8 3790665.816 140684176.1 148813473.2 151929115.7 147378744.6 152279373 175992511.2 141768684.7 140945429.5 313014258.1 296103412.1 337212147.8 347814988.9 322535690.8 279631229.2 350334392.1 288595244.9 2949219.579 Acetylcholine 34335559.08 13319004.47 23237074.03 36990182.67 112236931 105541449.9 106239005.3 92739534.63 91893638.44 83170698.88 87266272.79 81330135.33 90323909.8 88495860.44 89519745.44 69635453.45 77492393.93 117953223.8 79895252.33 7042618.015 4363416.896 17069145.53 7669069.525 127201478.2 140247640.5 122939249.7 127489069.4 159447053.9 144735898.9 115849537 121784084.2 130271624.9 134745444.7 150265664.1 140639539.1 139780934 125638683.9 135785967.4 131344861.9 Acetylglucosamine 65860191.43 24200958.66 12013127.62 7785714.233 45443914.37 57044438.13 51394684.87 Acetylglutamic acid 9322763.765 109259809.1 47315639.25 7725997.567 8740859.673 2010676.485 27916509.2 24971585.03 2522441.203 1844907.002 2558731.231 6979885.187 19262813.36 15686423.72 16372020.51 16835455.17 6632212.678 15561901.92 32871061.26 3584223.191 2685861.893 4180488.382 3330728.462 5036706.575 2868210.292 3064295.476 18626746.08 224738084 28461966.55 10179156.29 21364726.6 23089854.23 25404780.81 33983677.51 6390800.294 7464148.217 8075929.025 17330496.62 Acetylglycine 1968237.861 14817670.18 15026725.87 16099246.28 15510009.22 16554793.48 3852677.603 3805777.828 3651186.737 21237913.79 17712714.26 20170087.65 17633674.65 173598919 60201960.78 64579979.21 60609060.12 47477565.15 48402826.81 49959166.1 50010677.31 1866356.585 4859971.612 2876681.094 3077022.273 Acetylmethoxykynurenamine 12703995.02 31317314.61 20061181.8 23581565.73 26737608.59 31234798.65 7032865.041 7044398.442 6835308.602 8659947.012 10854934.74 9848694.558 12796230.03 7040165.44 5845369.813 6698269.835 7922166.212 10064729.57 9848599.958 9369858.345 5079784.819 4284299.426 4775687.907 4300955.877 7393694.542 7624879.976 7700130.637 8118474.484 7327315.327 5171761.647 3015767.935 4647555.879 5481121.531 5235629.506 8964936.16 22911179.26 14491605.23 3904050.792 4114862.879 3650985.275 8811175.008 8899838.291 7873331.3 3521926.229 3976162.218 3243086.248 3785155.962 8895664.644 7836165.146 1738437.241 1758553.641 1417595.868 1846307.727 2576394.633 4001127.148 3172214.745 Aconitic acid 68942147.92 13195081.1 3396369.582 41042423.25 12730923.88 5412040.484 27522095.9 29320688.37 360498065.3 234613924.4 98319687.19 61661264.99 84538916.04 63706639.46 34733296.65 83817805.27 86020011.36 23399363.38 38039926.66 36917796.74 37903252 37783187.81 29587975.78 35393465.4 Acridine 63747445.99 72368335.57 77972709.15 52122482.72 77030159.44 60047018.46 64476727.44 65066544.29 69276813.75 59291716.72 54531806.52 57686117.96 57412353.65 19614392.7 19985298.42 24109871.16 23864244.53 105774553.3 108045169.7 92422514.85 82429143.4 104797563.4 53834797.68 58286087.21 49714431.98 49710047.04 49043592.43 49639766.41 51595766.49 50243753.47 62448179.89 48405093.21 53813034.98 28726496.51 Adenine 93160512.56 9051519.667 31938021.29 30530445.7 44023531.49 126416318.8 133515055.1 134095844.4 1808230489 1736498716 2218910922 210020789.4 127520961 120718387.4 200898213.4 2099626547 1932236433 1491020828 1638729106 30752657.8 69582715.41 43421037.93 370261705.5 1192520842 746339797.2 832289179.2 30616193.14 73674111.37 556227396.7 455410063.7 1701786345 2322729680 98381287.73 423703887.4 260207861.6 155763514.4 5169440617 4121180807 6647056203 6304620329 372345664.2 344611679.6 194376211.4 309513277.3 4022151039 7672365757 5626982089 6244697505 119282119 664837777.8 362070302.2 410886628.3 5129071276 11526873519 9114130615 10857367962 281069903.5 359021025.6 134548387.2 369951832.8 18670200193 5175679135 5275292451 13399676720 Adenosine 162308907.9 325281446.4 75918067.12 217890689.7 55381965.45 87231509.03 67760729.3 43616872.19 15374758.86 300981614.8 289015137.2 125430120.3 335420790 16552689.38 4431349656 4666722143 5069841648 239457207.7 282018569.9 297566637.6 268772999.8 4266367135 4450241050 4426451158 4768317774 433463482.7 439608088.4 409862761.5 453608491.3 6681571356 6467943100 5722147883 6954920868 394606805.9 376305179.3 414385834.3 448598932.4 5464962888 4341097872 6026681722 6201580812 43668081.97 57096039.67 41065491.87 79706327.59 10578841.93 12440753.64 124896185.1 273810527.3 26097643.56 72172104.28 45887275.05 63791974.05 29722408.08 533737537.9 6780475642 6919835905 6971719359 7349151551 7114655740 8907968249 7606253662 8290904950 3934514974 4645687217 4827378377 4522780132 3178163956 3038498795 3544821086 3089917937 19929617.18 7418054.943 5734518.07 17663262.57 ADP 99705834.09 133443763.7 75989526.48 122098174.4 117208134.6 114687440.4 43788252.32 48132654.93 45440894.81 Alanine 508066387.5 96064376.91 190316966.9 729936289.1 2168005483 350573088.1 592565633.6 2005171024 100644440.9 100337344.8 5905507.675 108807826.9 1000443746 970952973.6 1098915074 73306445.82 66179876.74 95606727.31 51359106.2 924778647.8 994545618.7 787095985.7 757019999.1 6189859.076 4601074.641 45395159.81 76617438.79 49405991.6 72152176.34 49097755.8 6268383.204 17758510.55 21654286.7 410751880.3 61973757.85 9353259.616 1888179984 1929137511 57871687.14 130011780.9 3872075813 3370925390 450890159.4 493737478.9 406951190.5 449339065.7 1453636375 1518693969 1468111752 1388487354 269477281 198164507.5 407597223.3 207775926.6 1515834794 1474120120 1345661811 1199496453 558800842.2 523530335.3 588015514.6 592267770.7 359436604.3 368194558.7 410901235.6 427040829.1 632081097.2 616242942.4 528673084.1 666595503 333666187.9 250970976.2 339032150.3 361130338.4 Alanylproline 12352299.98 373111386.2 186588281.2 176714906.7 293424647.4 62352418.69 59281404.78 58745485.79 57641621.45 58042459.28 54265727.03 59872302.28 39489523 43646685.74 41075263.7 42414742.97 29983480.34 25186721.14 61931669.78 37922767.86 52945703.56 27083427.57 69943181.22 108150804.3 318579842.8 293622039.7 61535356.48 68783882.01 61327268.7 69211393.83 86966848.18 69391541.34 74147105.37 92748292.99 137447961.2 139278494.7 134575997.7 108033704.2 104717485.3 114277664.6 101103184.6 Allopurinol 11164780.6 64896354.7 1755515212 1997096373 41452306.41 66347727.05 21189554.55 1024190614 32884087.27 97908034.88 65941735.52 992402293.7 448924429.8 346061509.4 44396276.82 55705678.35 735196066.6 78743445.17 35326247.38 55977943.51 471755518.3 11107041.7 13934703.22 Aminoadipate 7399362.233 5581201.764 7947249.797 10729254.79 9502208.785 13044510.39 5647320.986 4682779.629 4796254.421 10475329.09 5683537.334 9828410.359 5599078.527 9607355.282 8004890.044 176638933.3 146286123.1 139856893.1 164736208.6 319353298.8 320266974.6 315374886.5 379142220.6 115735682.7 70591456.65 160580582.5 101758790.5 329392833 517585629.8 304911398.8 351141033.5 4527114.454 4545816.456 9940446.891 6743466.107 9726473.685 5931523.886 9559408.362 6459786.901 4000918.599 Aminohydroxymethylpentanedioic acid 2489431.927 1506836.815 1618124.811 1628016.968 1276867.331 1421299.331 1142025.505 1541477.638 1985784.082 2723847.976 1920473.034 1851554.938 1847299.776 Aminolevulinic acid 27618420.77 29456269.18 26128055.21 28790399.96 163061072.8 25473807.28 162468996.2 32732156.94 30902450.49 29759153.07 62404310.56 57986570.7 32054976.83 131196087.4 30952077.11 28291472.76 42979329.29 25614244.72 24938133.71 79389352.32 36785139.75 23118360.08 24459788 35032454.64 33541628.69 35889798.93 34341436.58 2483821.59 2604284.541 12927677.15 49534289.61 54584916.64 34743044 52347768.44 11559768.25 10968366.71 11131407.52 2840567.899 1442376.101 Aminopyridine 1711156.729 1958759.311 1794517.769 1838159.479 1612956.315 1705563.563 1893838.899 2234044.29 1873036.737 1785459.053 1410427.392 1543013.721 1483752.233 4887399.179 3891101.827 3270270.394 2215944.059 2899938.393 1602363.257 1935328.711 1588871.221 1780588.897 1544211.689 1526537.379 1651783.021 Aminoundecanoic acid 542072332.9 467611466 75301674.76 22947913.49 26232424.23 25606354.05 17938935.92 17850412.89 17579145.42 29805893.62 17747720.2 54320483.59 83458363.83 13671969.55 13406210.48 14385969.68 17099745.84 18607037.37 22802028.56 17309858.75 21291687.34 AMP 281490126.8 477402450.8 302607996.3 762087666.4 9319630.103 180152708.9 145572442.4 537212209.7 323116154.3 496166946.4 9309776.509 264749570.7 Ampalex 9558746.351 10534717.67 10879008.25 11616342.29 299715368.9 256696204.6 273862464.1 272340227.5 6974645.849 113937449.1 3529369.108 6423889.148 6467725.247 5990819.914 115777064.3 131244501.1 213582673.2 136024104.1 4211038.722 4358598.417 5147761.438 3712279.55 116260931.4 105852371.9 109450993.6 105586432.5 27805046.01 39371885.77 37627218.97 28119273.84 22946863.09 23492199.52 18495012.68 15907257.76 458049019.2 312339090 477727262.6 383883348.4 11545815.78 467602200.2 3673282.829 3486698.395 4506841.807 4002331.905 180325560 226671609.4 155120773.8 137147279.2 2540974.068 3335437.845 4295021.73 3839578.237 142222222.9 194101180 160886436.3 144256276.8 3229778.521 1788729.472 95752741.61 51295226.67 141197767.8 60780253.36 Androstanediol 41146563.72 81944924.29 105251816.5 173062196.9 17747256.72 15476885.15 6674558.311 16422981.89 15541879.37 13669197.32 19396874.9 14604795.77 37998941.98 28363630.9 35960136.38 29582825.83 29993620.73 25451095.03 27174622.43 46160996.16 36327260.01 16700109.14 24866612.92 23040124.27 6718801.649 5671576.822 6346323.266 5695258.045 4510390.746 4081914.788 APM 5439758.268 6291570.269 4581615.339 5988139.569 18808949.65 18864714.76 5256542.654 4850307.791 4693691.058 4994923.235 14295650.42 14983348.74 14904485.76 14221375.19 4943589.602 5390832.131 4173844 5275413.49 10518288.89 20974277.39 14301895.06 20461799.4 6956012.866 3979611.775 3725180.478 11057204.89 1508648.244 12397754.86 10388751.03 5106569.485 5717406.733 21412155.36 3272921.85 3148746.725 14579691.46 6336691.776 6436150.335 5430714.937 5378333.512 16918078.06 16338824.03 19096895.7 23418132.39 23889500.35 24876624.18 25441235.5 11595637.58 56055617.68 55745349.28 46081683.88 22132890.61 15524072.21 19100703.99 16845374.44 51160503.68 41932471.01 47852668.1 64263016.89 Arabitol 12867387.23 19500413.15 33410524.77 12741500.79 11379218.99 11595149.66 12067435.75 11496724.77 10738102.02 13899872.71 12704594.11 35153118.14 38621811.15 49314527.95 116203050.9 108541785.3 112138595.4 112127331.4 100555709.6 96073116.08 106322279.7 95791050.39 81405803.89 61603148.91 61479698.96 56627906.24 60059376.12 68316938.44 71415160.71 71909781.43 Arachidic acid 65967866.82 85244877.2 67687164.63 71430523.45 7086236.617 7961549.098 8627919.807 8130762.847 14749019.04 33309210.45 30770485.83 18486773.59 33998474.81 42156175.26 32696626.26 33956361.19 34607701.72 55224902.22 53663981.19 57418652.17 62524258.4 58279946.65 61725507.32 19914792.05 9199006.73 11452322.56 14474790.61 148561778.6 113021838.6 46269878.53 33166524.51 5960590.969 7137655.846 8510769.917 8014463.306 20786523.39 21104583 21316890.05 19469359.82 18848243.27 17155887.25 17356639.45 18144339.26 14327533.53 104570982.6 99194589.88 107006985.8 6457301.687 5222410.85 4843268.272 5852694.637 Arachidonic acid 7751304298 6160559587 9187163293 13284844834 1881214.97 36236589.57 406593713.1 161455616.3 407390432.3 7474904.507 6523645.763 7573287.989 499654712.2 415388376 6421676.675 6824725.338 6233465.684 2194152734 1917106434 2068726819 2261078249 1883657140 1856662402 1838792854 1991159870 29096609.37 25104168.61 19148710.88 42986079.21 7695988056 10374063772 26434950609 28039025253 54972931.24 68638786.22 70336105.84 48069240.81 26912264.92 37044918.92 ArgAla 78179828.33 10473495.12 16189892.9 51380515.05 86683994.68 82379388.33 14154593.1 694602891 308367137.6 10676765.62 Arginine 32946124.35 256928712.9 324741304.2 82600369.82 572600239.9 353094712.1 224994230 21875472224 101343480.3 253200968 766417405.5 331160935.5 268501699.1 203713664.9 149862453.1 626369821.1 475449984.5 700912215.7 328101759.6 330477776.8 303666508.4 235024146.5 450106469.1 725375386 Arginylhydroxyproline 7583395.75 5861135.241 5732234.23 6201916.825 5243791.439 4691127.884 5095026.012 2873536.24 2983430.482 4302257.036 7030381.191 10643336.36 7595819.548 7181541.796 10371275.52 9039438.757 6795116.714 7380703.093 6897771.201 7008211.684 7497051.207 7469532.924 7312059.499 6349833.815 7275372.21 5736481.755 Asparagine 124001653.7 210830192.1 336933974.4 224631802.3 601255834.5 1095634993 58565156.23 13591826.12 Aspartate 625097836.2 37820226.85 1005788023 129768732 61820952.74 701857245.1 708025988.2 17010325.05 762982355.3 178840173.1 149189188.4 233070037.3 217662275.1 258323085.6 302255907.8 214056597.6 134333267.5 219560598.4 92120882.42 121170147.1 29542056.78 32497638.78 14747003.92 16234780.62 770696744 43756821.65 328302131.9 3828650648 12082774860 277157618.8 380482606.1 8538288034 6866216441 6940968863 7285187870 1844606666 2416037364 1962701656 1799977930 5727426443 3284337224 6747945854 4001281125 2035985502 2661209172 2049499552 1827048150 9335700814 9534638094 10999568837 9574179950 3876906362 5373218473 4682870592 5290945741 9723860925 10520462982 8920675655 9979922661 3865257623 4994060332 4255332699 3844469263 Aspartylproline 4798069.21 13378362.65 15753250.76 11905217.54 13034804.94 9826239.117 15835734.07 10232833.93 10306607.66 6923400.505 4858384.787 4735550.158 3558536.586 20350048.51 42042415.55 30163311.89 43157571.01 6000234.248 5908404.674 6397545.167 24128050.15 54682784.2 30273086.75 15786382.45 ATP 16462779.29 9915773.549 40108464.83 57789692.93 26238251.95 53069628.14 58938087.72 28127233.22 Benzaldehyde 16337263.53 15513942.45 14855625.81 22196540.31 20175925.13 23511575.04 13294709.84 8510650.597 5035535.809 12769911.06 7407503.961 11333204.12 Benzisothiazolone 74183720.18 76577397.15 77471323.17 85745299.52 27056663.68 14822258.34 15994020 21699786.59 17446615.37 18874059.21 20869516.92 17122440.34 17049409.16 28524383.84 30553611.47 28915535.47 28203205.38 60333565.98 64472528.01 47039342.81 53830671.1 34127395.16 12353864.27 10680356.44 12867696.79 11372954.63 10793457.99 11186478.15 10815081.4 12681689.42 7582839.626 5049353.864 6453550.966 3315459.901 Benzofluorenylacetic acid 28222582.75 29470650.48 13393703.34 31978988.84 18933189.46 19657359.23 18249442.62 18688999.85 62820433.41 58151248.75 52543464.89 58300321.24 33311043.55 32145922.66 33895731.54 33622288.36 21951034 19194308.85 16723207.31 18392751.92 10677417.96 10942613.04 15584166.9 10633951.21 98475384.41 89147966.05 83481109.06 83916149.37 53746563.39 60646772.91 66080834.85 58671162.92 Benzoxazolone 4141507.64 3927823.125 4433843.677 4911810.247 2508865.293 2130835.312 2047850.5 7632132.336 6892154.416 7547414.951 10124193.55 3733303.262 Betaine 535238768 1099921526 10226441.9 171563975.1 362899756.3 22802994.28 800310044.5 923462819.9 875473538.3 951434118.2 104313493.6 3774270.568 103445691.6 cADPR 12417400.94 8159566.091 4385837.543 7486107.141 7786758.037 6061556.047 Caprylic acid 1.1547E+11 84997459648 57610991702 1.09228E+11 38574279667 72000737.43 55065945.89 26241952.5 45857963.2 6480094825 7321520746 9404121101 7456682940 59752775.13 79740467.25 62397335.09 48264643.46 8919932604 8768029107 8195938978 9059429831 66727185941 19784674298 27984876686 44512414583 1.50228E+11 1.59951E+11 1.91241E+11 2.39972E+11 15591946.37 56390299941 35101115.38 34579322.36 27478978.25 35759782.64 6111809809 6153866094 6734381800 7361406672 38772006.59 30796606.44 42558683.77 27156407.04 5841725261 6245736486 5535250224 6887829599 3998536247 2292464357 3598415669 2059670885 Capuride 11998760.02 10981523.38 11893649.2 8963650.208 3936927.113 4147648.876 5225057.175 4507426.342 5037952.083 4226368.416 3847696.88 3838194.535 4408952.007 2390757.375 2463620.99 2556172.339 2806232.369 5895461.712 6383304.434 5332683.858 3489427.888 3871373.313 3315131.927 2999898.389 3104814.632 2604621.713 3199404.16 3950499.585 2244695.269 2736337.992 Carbobenzyloxyglycine 6732712.912 8757556.515 7926775.91 8780929.05 6450486.655 2997059.671 3480364.106 4888339.257 3854380.984 4077190.441 4367414.734 3703972.67 4128040.398 1889664.565 1688926.106 18490492.29 18115950.08 12098589.83 11036402.58 9817403.754 2654883.201 2644583.843 2831592.742 2096926.781 2026173.282 2517405.582 2170826.321 2616737.274 2760679.103 Carnitine 1875657083 587453013.8 962679317.1 2226451342 253381648.6 247024211.8 253447854 214234089.5 223465305.5 192214891.7 221731522 461983845.2 519057445.4 467854921.3 509541602.4 346642497.1 354033580.9 662266725.7 380305144.5 4516107.513 279965450 346173258.6 1228233813 775249222 4524038.91 4301895.583 4800118.347 4591696.577 237229836.1 245512616.8 225563056.4 246140436.3 246302744.7 278243221.6 207915526.7 216834599.3 913137021.6 963898339.8 987628407 988128840 963761274.6 867030448.1 948529184.6 809959326.7 Ceramide1 3684164.298 16126994 12462610.79 8617121.386 109859911.6 428940075.3 292656165.4 382841436.4 2412837.74 2172142.467 3011291.483 2466950.89 103837698.6 124323190.8 119571325.9 2890756.805 2895308.91 2205055.232 102992720.4 86044687.24 105970208.5 94577272.91 4861856.677 4274077.4 4611631.705 5910933.783 142689946.7 162876531.3 179266663.7 164135651.5 3410868.086 2962024.998 2977702.247 4191708.548 123326120.2 105736682.4 103608793.5 145392782.7 6627314.817 7542231.845 3516164.76 29311043.9 4392720.751 6178164.616 116605364.6 5964200.296 2537848.14 38736763.63 37071990.47 35186042.76 33759681.97 13071068.68 26304155.88 6369481.517 44659337.65 50617137.13 50122386.42 47248238.51 32923100.43 36488270.41 31876972.12 36064458.24 3178997.286 9643603.244 3892598.118 Ceramide2 10317412.06 16892610.27 14137945.08 17499648.15 8809789.721 9113809.634 8603585.657 7311993.283 6361209.31 6877972.553 7032926.387 19667313.74 21382253.06 22975075.21 22153750.45 17271687.02 14848539.33 11990870.08 17814323.79 8281474.111 14760313.72 3156428.113 3235909.128 2711349.116 2866762.723 13476647.79 12161867.89 16295990.1 12079495.49 8223529.665 9971408.378 8422420.541 10913489.42 Cholestenone 9102764.849 10462442.06 11164438.86 11789235.97 4492876.796 4514745.798 3979874.338 3353057.329 3323752.582 2910643.865 3207030.943 2399975.317 2912668.635 2658927.865 2739327.87 2347896.709 2207553.713 2362387.7 2635929.593 11699957.04 16900224.44 5554065.711 4894632.799 5394525.299 5307094.977 4944518.074 3236367.973 3890335.875 3860165.217 4322329.866 Cholinesulfate 6494019.271 5694188.242 4876375.402 5141406.197 5476372.926 16636668.63 24499880.79 25352375.41 24310441.35 15961013.13 16469968.39 17592870.44 18832526.88 Cinnamic acid 66441696.07 47480719.38 133180201.1 23116960.42 17751897.63 26627787.33 4093158697 3976819258 2830695645 16419119.35 12844972.61 14797435.15 12204981.57 3937126061 2626302268 3942738219 2557148717 12669321.74 8192955.228 11200010.86 2572708908 2514855018 2287855746 2722750817 7403912.921 9301901.144 1453573705 1313505639 2247668960 350869020.8 79234849.63 9746226.003 22991103.07 16661554.99 19185505.52 24069180.07 3627434771 4473014847 4076480480 4183106731 11871310.6 12946192.99 14978915.1 16028844.68 4137007387 6147537275 3936645625 4702783777 Coumaric acid 203343023.1 1012157900 14561581.82 10664906.83 82985630.43 165177285.8 80616889.72 104745710.3 75524725.85 177781782.1 57975393.4 52866453.59 Creatine 6802010.182 2619694.531 3705292.318 9080288.468 2606248245 1032201444 1288369681 2850212394 8974827.333 13016477.63 12356627.48 15982212.86 12743741.67 13812089.86 13190409.76 4065770.359 13262629.43 2441271.416 3199125245 2942632339 2961158128 11699814.13 11731811.88 12018570.88 10254772.12 2898547831 2796723123 2639198454 2586535184 45410292.46 47429233.71 41560753.21 5246742923 6440948663 6478180786 6673071518 26854139.48 29309022.15 32725603.78 5261044964 5078696522 6824870090 5776024627 26320984.78 2503685.536 24499510.5 42075013.45 6513128.655 996749711.8 614781084 921689032 1618754595 14808428.37 36582620.77 18230789.81 19039398.65 10375643.7 10300007.33 13325846.03 10801345.25 10637508.46 2720888106 3927974899 3612796573 3760478186 12716315.06 9110707.9 10447806.39 8156075.709 3902851987 4063034163 3360548280 3530031752 20319882.98 28540314.27 27854415.83 26245800.21 5906568437 6216094197 6639272128 7039740969 26117872.11 30641338.16 17430269.94 23214442.04 5925880871 5575451820 4929171871 5955602114 37700029.26 12215222.02 Creatinine 16466223.65 22140448.32 36210554.16 7166285.852 8095713.694 7015311.805 27998600.94 9265368.38 7410307.926 3168345.751 8053472.977 194553001.1 184931812.4 192455381.1 6658639.081 6019569.702 7559834.328 6591762.535 168141655.1 194442338.1 156822114.2 176002399.4 4800112.641 6247845.711 5846824.759 5163364.151 156790874.5 175993155 158331460.7 169319701.2 5080100.091 5090741.21 4657980.389 132976907.9 111048880 166795621.8 142406419.5 67630228.5 12277988.28 31091928.12 32739924.34 64021699.53 91932982.17 7252839.584 23361770.71 9828999.726 9867644.412 6477374.711 11310479.28 201557444.8 217286567.5 170757156.5 177672411.8 189862205 273353778.6 196332671.2 216947242.3 11918002.42 14064197.1 11572741.64 10877597.23 258124644.1 352806947.2 341540308.7 404443135.9 10824838.5 10990801.9 6846010.356 11533267.74 235625007.6 252153772.2 252057286.8 235612586.8 12223398.64 4311942.45 Cresylsulfate 1128919334 827263595.9 920284794.4 244489428.2 5754636.996 5000318.697 1712240.438 6700820.038 51571555.32 56324748.45 58977718.61 59871248.07 53321599.5 64806178.8 382763766.2 122742097.9 148376586.7 233756179.9 2087318747 1549072162 2802909752 3535636374 355278028.7 5648990.403 6147568.299 5242681.463 6138096.948 40297158.35 46362708.44 44480869.03 45587174.73 9732791.64 8899455.171 10224731.38 9576891.171 43823064.92 43435304.51 43109082.27 53026517.33 28263000.5 20767245.16 25865929.89 14361304.63 Crotonate 32401950.94 5539803431 3655709204 3697138006 4307448458 3374672885 3212340391 3367936373 5231873370 5270944545 4891176948 5234415166 4463702019 3726509162 6357164691 5959198484 662196168.5 179826596.3 69775619.69 3962994642 4792000583 4589113146 5806311150 4800835288 4483398838 4439833982 Cyclohexanediol 11219922.62 60109577.74 45334617.66 18491099.29 51926983.41 36782302.17 37746894.76 66421355.65 46232673.04 76795206.32 62650993.87 59362922.43 55886698.98 64817546.31 61592053.18 52088632.95 69662175.65 15382736.97 8909041.259 9124825.438 21024684.66 15979034.12 20885337.92 14612690.26 24713563.5 26444297.22 33823757.49 23900407.25 10170355.13 12244396.09 7793320.732 5576742.842 8632697.99 12448058.68 10262675.53 14338442.96 12020718.31 6885016.189 15471494.28 Cycloserine 41505728.94 38361107.93 40397851.42 40253374.82 42799187.47 38580414.75 27630292.61 9642413.052 15154875.48 11438037.4 13442216.35 6780851.378 7920014.667 48355978.92 20365149.5 28502920.68 23393061.98 25489503.27 24179204.02 28349635.86 15777355.66 22898256.93 24370671.12 60754343.62 56073623.91 67647464.51 68383564.85 59495673.47 40486334.1 61365619.85 62272347.89 Cysteinesulfinic acid 1779977.804 2463193.47 1762169.647 2096504.558 1674991.241 1820495.109 3613805.492 3938822.957 4497026.804 3642038.455 3440799.264 2243419.705 2477204.299 1908371.232 2175082.849 1531999.13 2071968.696 1642448.957 2357498.446 3088612.897 4619658.487 3907763.235 3566651.946 3693102.148 892747.7438 Cytidine 71705212.44 57583853.72 54734017.12 141524180.5 262260159 126675264 118991291.6 141761608.6 126503396.7 44495702.25 154393073.2 487876705.9 485939695.8 489603297.5 123340828.1 125841069.7 135941765.6 139528556 455274842.7 470131609 415712564.6 518584696.4 91823511.48 96464198.63 96441056.3 99404638.91 303617906 301401682.9 280485767.3 307443153 86958352.12 85348008.82 89852630.19 96413627.83 249323834.7 211008429.2 279157640.8 250623419.3 35700713.31 49682161.21 79395204.64 138328128.9 88859998.06 68473167.9 98018946.15 92036381.71 262362851.1 273871554.4 282633877.8 334225861.5 80236740.52 57945891.07 78641854.84 84433532.68 302358201.1 340903984.9 257230318.7 286402869.8 53455285.09 61181338.44 65322671.96 61857538.13 209195077.8 230427236.9 228194255.8 235751114.4 60018073.07 60057368.21 52006330.85 68596443.4 237919267 234423725.7 235923231.7 191387352 Cytosine 57406855.6 34641691.19 94951630.34 19410903.84 29830462.42 21244935.3 16401936.55 1069908.158 36213443.2 56868575.07 48891261.55 31986996.19 30531796.5 31697457.88 34711681.87 72421715.68 56884858.52 86272750.75 62693285.83 73222252.85 52687194.32 87450115.14 100403832.9 9292170.449 8458492.3 17750288.94 51138467.87 62845660.68 8972817.903 13169945.83 11514789.86 47543327.21 46590361.71 26682101.29 28459402.11 37587263.12 74532301.88 41690905.41 53782236.42 135217731.5 132165691.9 186644741.7 179237121.8 134952071.1 52967591.61 148741068.2 154554217.1 4624018.067 Decanoic acid 173668087.1 214576180.9 31013982.3 34515225.93 42345567.6 94386650.42 102980822.3 72839825.27 42320059.69 61610228.02 90025258.47 83798150.81 126162762.6 95186917.98 103698896.4 96566013.1 100817732.9 98184943.09 120553261.8 103076399.6 82808077.28 144950009.1 117353234.1 70717315.4 85287317.24 92643740.46 290973828.2 261281347.2 261590981.7 428887033 21263500.96 35109144.96 30563100.5 115100610.6 103126215.6 53313879.88 65823809.12 62588080.68 67639638.2 85252306.69 88500997.68 70104002 62330212.48 66782568.73 71458002.21 58097328.19 64062837.12 78406549.65 93287744.15 82388819.37 74243091.61 70345971.53 68811878.91 103008986 Deoxycytidine 10065825.64 2625741.373 2634839.654 2503914.389 10347196.46 10243811.5 10995339.93 2243889.69 2104522.365 2023289.024 3314064.243 10579481.95 9704840.891 10482155.75 11000981.87 5339779.658 5539602.539 5253009.099 5167464.584 8601909.809 6358670.113 4894108.388 7750444.747 8550436.796 11950697.54 7341278.175 4395577.583 6718177.231 5238504.501 4202487.942 3831099.703 16092890.3 17593360.42 15589450.27 14526515.81 1429832.388 4173213.514 2779805.371 Deoxyinosine 10836225.68 9561123.263 5044319.775 10635888.26 9277445.295 8658727.45 10145828.03 9094706.632 19746159.42 20149581.25 17849615.17 6141495.644 5784950.301 18174074.56 17052652.66 17894545.29 6459270.194 Desoxyadenosine 14790978.87 16174451.22 17217532.03 11439283.95 7795281.875 14477247.25 11223397.08 23413075.99 23343197.82 21606658.74 23851553.34 20430294.26 11014767.52 10524070.51 21267637.57 Desthiobiotin 11708152.41 3824680.198 4945952.104 9600082.945 58476160.58 56280450.35 57606370.62 54138167.46 52264491.91 51003837.94 55725482.9 51894269.57 61139651.02 41616254.71 40893009.18 71244581.2 47977490.52 22855032.02 14831292.15 61758967.93 64508978.47 70261216.34 80392836.87 62505615.5 177723163.8 181157091.5 188038113.6 195758169.8 183008004.4 182674976.7 195217355.7 169998693.8 Diaminopimelic acid 9962735.977 7037862.106 10227121.18 7360172.448 5485377.151 17822376.68 29591567.15 30840907.14 68833239.41 61553475.87 21067452.76 24203989.5 6926741.373 8180713.263 13500631.49 8820825.13 Diethanolamine 902100451 415999569.7 633250229 299895513.4 39412585.83 30249382.35 41240822.66 76466079.79 23863394.95 18427015.81 36813932.54 39397325.94 52869381.3 88650232 12055479.31 19422890.58 39096116.27 20354904.27 112629284.7 59832584 171523413.2 99720920.57 16737614.44 50641925.64 30349443.43 20348089.27 31860241.66 63062280.28 44828283.26 126506175.2 69957498.92 26193795.19 51081932.1 18411747.54 37742069.15 157548507.8 112573839.1 53889070.73 25052214.43 10646315.62 40810222.89 22779633.9 Diethylene glycol 3972534.107 4651246.564 4663547.784 4957849.341 3297149.143 2396005.688 3583036.78 3314499.096 2877977.582 2409650.071 2477882.846 2350787.863 2710262.247 7024742.103 7447728.571 6288959.694 7380987.227 5481531.733 2065168.03 1946750.357 1912979.465 2427142.36 1848116.76 1995115.199 2405133.274 2312963.903 2102169.464 Dihydrothymine 48491822.85 14112455.95 17889105.27 47789148.48 383287709.9 244481060 234376456.1 333499402 223908822.1 201850679.8 187763781.9 250758520.1 259152626.6 232883041.7 249901599.7 194462897.6 125972997 326938241 294801519.6 10144743.74 17003190.17 5902001.064 608378015.3 343507663.4 337157552.4 562303314.9 345444400 324961705.4 290832479.1 143512731.8 163450307.8 161581192.7 176526333.9 140330453.8 116191901.9 148460899.4 211963058.1 Dihydroxyoctadecadienhexadecanamide 3628781.985 3579601.411 2388179.238 63537182.47 98683252.73 75034900.63 78114867.03 27448604.68 28770961.91 28494943.84 33009869.11 26663313.62 29458641.06 28466659.73 2385789.178 2293737.345 2493017.939 52169748 62531745.6 65989643.9 58671604.37 2113308.927 52488371.96 47780808.41 65803832.7 51650599.82 1643418.651 6782016.569 102616762.7 122388242.9 16459305.77 19080747.46 17327636.34 17843926.94 8402643.695 12232452.95 5504226.738 47253723.99 50824340.06 52657830.36 51376869.22 37381901.48 39529891.14 38452774.54 37533727.63 Dimethyldihydroimidazole 1673640804 514581099.2 579684273.8 859619438.8 191960319.1 163753215.4 232661306.2 250395595.2 185373724.5 85389353.28 198556187.1 125710330.7 100821025.6 88196894.08 83106636.04 97839390.02 79967359.07 405258074.3 164004145.5 46883645.17 62155410.33 436033111.3 392156206.9 251325728.2 244630779.2 247452332.7 317041559.9 380251264.4 215566687.2 501045629 386631416.7 371854525 234711761.5 428547028.6 413894721.4 Dimethylpyrrole 6885616.749 12623072.89 12388692.21 5913231.334 4868216.989 3619987.316 3844772.575 5181090.827 27356557.16 8357122.76 8675154.146 7613017.908 6770147.442 7246009.531 6679468.673 7338943.666 Dinotefuran 31239891.67 8643916.436 13028896.44 10647988.58 6751030.792 7947958.731 7260066.547 7708135.184 4262543.836 3221019.11 3397146.859 3595465.695 3627964.509 2895183.729 3251025.56 2929888.774 6894640.048 6577082 7738072.007 6765858.524 9231726 7517967.192 13245676.04 17491222.48 14842728.19 13110583.78 18746300.22 19848133.88 18627536.52 16032265.42 2965121.306 3118857.444 3078242.975 5149608.186 6019555.701 7112266.58 4122634.375 Dodecylbenzenesulfonic acid 167648364.4 153234254.7 160600492.5 198191288.4 44967811.61 68035318.79 48717019.04 38135028.2 48941449.33 138395860.6 93752456.6 60300528.6 68785808.95 97703531.21 89137066.62 83461804.89 86973048.2 161469713.1 165113957.8 127164671.8 136689136.4 35453742.72 20743511.65 23729051.76 22654840.66 272169689.1 302871292.2 98533021.59 95358344.77 62285687.75 30887277.53 31710555.46 24728657.03 28168034.13 45711610.73 49167810.81 54432229.51 53170036.42 64068446.5 65036258.82 59303847.88 63996058.28 103866803.5 95011015.21 74258762.65 98360620.44 75332502.05 61357389.1 78674807.34 44786060.44 Eicosapentaenoic acid 42120405.84 11433582.65 13417284.64 18586949.78 6325517.741 14461837.98 25306435.07 21365386.58 24748692.04 24549494.25 8048961.808 7753669.2 6750277.522 111296340.8 653886470.1 6446153.362 10568585.7 8594473.342 5411242.234 17601732.97 69154534 19913586.56 1657825.85 10324994.19 6286761.138 13989254.12 12012857.47 15992436.15 26758288.74 17678580.59 28105350.38 13503920.95 5667330.613 8761620.252 6832586.608 Epoxyicosatrienoic acid 2788876821 3309487973 72415094.75 124834224.4 15529315.73 14947682.2 37566277.12 32256214.26 12813546.52 38790586.95 34814786.4 37838114.93 35940583.61 31759070.88 10947480.07 3472604.083 2481689.417 11734004.29 11729939.43 10734097.2 11149514.11 4643090.296 58656801.48 411605180 324944970.6 7669286.197 11009200.42 5647132.549 10480828.27 9174456.177 9849678.454 10060355.65 4430302.993 Erythritol 20888555.04 17264256.9 3992850.555 19754469.29 12719877.42 14705897.02 20556075.33 14130068.7 34707334.32 33473165.47 32337052.97 32425466.99 30327019.76 32092421.64 24663425.5 23782424.17 Erythritol4phosphate 4781463.755 24677994.02 4131127.548 3394473.827 4337526.901 2630585.577 7422564.196 4856664.009 6643283.625 3401521.447 6974786.861 2171863.72 3327310.473 2961004.812 3130697.045 Erythrose 3235124.047 3603109.825 4003243.153 5571917.517 3904207.82 792801800.5 4413684.728 2838260.619 8147593.648 2792911.272 5392141.694 4547570.392 2225135.899 815222.9244 3074197.825 1975905.45 3991275.821 669516425.1 867438416.1 4672408.009 3456303.025 3267392.321 4302888.15 4659568.073 Ethoxyethoxyethanol 2971526.925 3182734.49 3477206.368 2719880.888 2889494.912 2686478.916 3201773.563 2803494.423 2478068.894 2321319.232 2399874.385 10363689.3 8508097.001 9690782.518 7901153.239 2446226.999 2698024.123 2088469.48 2277892.028 1934934.828 2271324.82 2366478.686 1904957.562 FAD 14499604.52 11841291.24 467711164.1 386399221.5 2748584.337 6724304.829 10050054.46 7399512.95 7563295.488 10114928.69 Flumazenil 46442728.94 39498163.99 30696608.85 61475477.56 24491107.55 19712150.15 20272946.07 25352329.71 29834902.18 21015357.94 24784702.45 27688070.85 83119551.27 79732000.47 77653623.45 84195536.12 14252251.57 9919807.593 10838559.07 10968777.99 30589739.69 15825354.39 7912314.926 26882917.1 15141423.81 11070089.01 14464798.76 18525656.9 9712425.45 Fumaric acid 288795995.6 251394050.1 171683199 286679545.2 15995887.76 124414963.8 105807560 113808332.2 128239526.5 158220965.5 149886781.9 882404148.8 712859577.5 641737127.8 914578981 512915492.7 8316386.745 199914354.4 161995562.8 173167689.4 163998337.9 133405617.9 129389361.5 171126713.4 133677727.2 2245725.971 GABA 4316816.592 3192458.445 253029996.4 63368395.34 63030955.55 128837208.8 13554098.69 15994817.05 11759657.43 154824918 163599505.9 65727274.39 157314600.9 148230297.7 139794325.8 158462373.7 123081673 321789977.4 261222900.2 291089106.4 288121283 274617746.4 213949738.1 216675300.9 450261058.3 299498091.1 32372008.16 4970606.583 9769913.282 59443188.53 2803986.105 16961180.24 79086365.37 38061139.19 46957985.92 18530814.89 249589455.7 277067845 244881730 259912355.5 7835108770 263324042.9 237675045.8 287145758.9 218952342.9 1292381844 1501969256 1467952694 1291698550 10779905346 11137616896 12753126807 12884078537 1346570314 1170933640 1193094366 1386914479 12439133853 10474731130 12762668838 14408378175 Galactitol 6222876.961 6375367.637 10370710.11 52838443.99 1906024689 1585671698 328811086.4 1989379436 175321636.6 149275197.9 132643315.2 1422585132 1489625294 1694567838 1480468767 177672924.2 174497393.5 153112598.5 174398230.1 10312368.26 6952245.564 6621083.063 6762894.918 3661711.761 3519040.512 13476552.21 17929981.77 3439423999 2878076651 2767626427 3290310752 153393981.5 99811836.15 2394601123 1895999045 2152848135 1560305355 134274053.8 135670866.5 102207483.4 108817618.1 8499169.25 5266947.931 8202999.111 Glutamate 6535585572 502536916.2 1332817698 8149556943 5393894777 456468968.2 922485645.2 3437834667 5148379381 4513361704 629320137.9 3802937346 5163410613 4722335859 5402702599 3634863693 3651481743 5186031695 2695363124 4572120684 4772112663 3743460576 5049560528 473507353.3 294913131.9 232913893.3 286831977.7 361943146.6 680222463.6 415180307.6 688846797.1 145386578.6 161137124.8 4470268623 886738607.5 168629367.9 241493017.6 4876983106 647453996.3 48716214.37 165609081.2 21050031374 19544339707 129799156.4 4924838538 7572188924 8572350.013 24466464139 28575806710 22151169671 23081028566 17516768863 14420162233 16054537767 18244822530 14074801146 10262467725 25858773920 20189154087 13131122600 23994536076 15384107564 13972547307 7282744818 4202429291 3899659893 3837745304 5856170140 6592628916 5288915046 7525747435 6187715000 7478954544 4838366192 5199231806 6243185768 4165290882 5310959010 Glutamine 459251733 17378049.56 59318222.64 542057905.1 10999574.1 3224585304 13336033.97 6467778.41 108583710 2413967134 1890000667 9245731.628 11811399491 3857984959 79280181.71 44037870.75 37697799.78 67255574.59 325964947.3 25163710.39 59364741.34 240948014.1 6119611.573 6858350.637 9297412.328 8930850.839 17289197.43 Glutamylaminobutanal 32514761.4 31441386.66 32494143.59 28603772.75 30170293.21 28445490.04 27802590.13 26980988.11 29944200.89 26929046.08 29917517.63 20185333.45 12177384 42181433.08 22861394.67 7953311.638 4050155.371 46001299.65 46619614.37 46099678.35 54326824.58 34370910.54 30711042.6 39113108.05 58723179.81 46603110.02 47284151.06 6141872.444 8960031.924 9818503.737 6482595.112 67291066.89 142895430.5 148752575.1 140093966.5 8912012.596 7419720.732 8385449.122 78194625.7 86079274.8 89428331.51 106413962.2 Glutathione 19027599.74 271077405.4 5747446.252 4625910.321 53219509.23 10385486.12 53010256.19 5693586.692 45684281.85 6244880.731 3932499.718 GlyArg 116771128.4 9759478.307 20090761.1 42272198.89 64418925.77 62919036.43 311483405 143291326.9 Glycerate 12766344.71 10213643.92 4252284.508 11899816.74 10170254 8462209.25 11370804.6 9314205.327 13335018.61 10038443.44 9049290.873 6960225.141 12404174.74 7427188.12 10456182.71 10115635.22 14089231.22 6371012.742 14891917.1 12498228.95 10336542.04 10936291.62 12217621.42 13257381.85 15395213.89 10109995.93 9223296.773 9784252.909 8982935.02 9628852.361 13394989.53 9487070.281 Glycero3phosphomyoinositol 72173605.73 17383855.31 37373076.99 95794840.39 42430264.83 5951021.423 25895898.08 38817011.77 7858484.604 8407803.466 9620653.279 3646778.589 3556952.035 4441718.123 8246261.812 6144260.207 5624499.785 7236463.236 3159295.048 3404045.479 2441814.784 2982103.801 2598985.406 81001514.78 115420630.1 174738538.1 135714953.2 154131473.5 59650218.74 72489254.18 63913707.99 67899876.43 115765240.8 52546347.89 83257767.51 65069478.23 77004807.26 56453492.59 56533645.07 6727868.151 8923630.316 8525570.543 9530505.561 4817574.066 6106523.088 5644539.027 5641708.935 8448191.188 8000617.852 5625592.8 9515443.236 4608830.592 5858178.035 5418003.085 4228422.137 Glycerol 61769594.65 126806800.1 103172648 53598817.95 122337777.5 82760978.1 86909399.97 111476621.3 81641626.27 161959590.2 153220828.8 124448413.6 152549940.4 123695676.1 120691821.4 84019086.2 128938564.5 83740726.22 50623649.12 43856878.26 65131534.96 7445467.176 6276295.896 125240465.9 110160258.4 97791009.52 98101097.62 117237077.9 100508416.5 83488664.56 133687158.1 92334673.3 140150433.7 129471922.3 135766098 134429372.6 94291963.58 105954992.9 146116540.3 120191448.9 61280183.69 60274494.58 89536573.31 Glycerol3Phosphate 208539671.3 71570832.1 36374430.85 64525333.55 5090564.458 69724900.74 89119889.58 19136074.62 40143707.85 58975822.93 65068803.74 58698308.49 25260808.93 19950229.31 15218858.34 26133238.87 12885702.02 7803659.65 19666923.51 39002114.07 13410305.7 31119390.48 32898859.26 236505131.8 82869728.23 113502391.1 70657329.74 53655162.46 80872270.94 41170411.29 91310503.05 36478463.38 6170745.998 15296435.3 26875417.52 12200471.55 13481448.99 30033896.52 5020506.861 15072570.28 Glycerophosphoglycerol 208432903.8 124687478.2 140156558 203454946.4 8990394.137 10325687.53 12040514.07 126770958 45048345.31 120406192.8 12099529.85 11581834.59 11906437.43 90487139.67 90741298.27 116742614.6 83053862.86 11468048.86 10503818.44 10256491.41 10802711.9 55455583.6 50506700.87 8615267.99 7846984.928 7518848.771 86442732.56 45582354.18 12614845.48 51819694.88 72054846.5 237142836.9 173111038.9 187503057.4 21687542.66 16879470.42 16063123.93 10288386.76 202405052.1 190840156.5 152891045.5 216148635.1 15852220.34 18341416.79 15182348.02 15101064.68 157322807.6 162888926.6 144619038 156303141.5 28434946.72 21799618.08 21122650.28 18189631.58 150308123.7 153392672.8 138359041.2 162799300.4 18856270.64 22051392.94 21413918.93 26661861.53 Glycerophosphopalmitoylethanolamine 47477966.4 50531641.87 19672138.93 53829258.87 36038990.03 33806646.03 37231588.19 33901859.53 19453302.21 20048216.32 33256179.96 25582972.79 22653270.21 24784145.65 22253187.6 2771618.281 2902551.021 Glycerophosphorylethanolamine 257354254.8 12966520.3 24155730.16 88622956.29 423764801.8 16225101.49 46556996.83 179708566.5 11778109.53 14099321.49 8341304.979 16022360.26 7490954.969 4507901.405 14074097.95 14065656.09 10351650.23 4820240.882 11769920.19 4344533.868 2890043.767 6340362.811 2878261.228 438155394.5 756576109.9 162639168.8 165309500.3 91599951.78 109899673.9 55334054.38 225960907.2 73897803.26 82792974.75 88623209 46517910.61 165395751.9 38268958.95 172553979.8 120374691.5 60786544.44 73946873.86 17462583.15 9863567.809 16556024.87 6690491.859 7948630.183 10641675.45 11152779.24 11756905.83 9140987.826 21685060.11 12531501.76 11816072.56 9097567.264 16375181.72 10645665.2 Glycine 103438845.5 9637409.081 26583268.17 123527427.9 9766097.001 10325394.6 3823740.422 7329375.456 333494023 278842343.8 7002322.169 42974715.57 35933864.46 37056031.54 44608420.22 5675115.686 13062375.13 9067206.971 30799074.63 28603183.52 38933259.8 28772913.78 7808677.636 5960152.501 6272660.553 Glycylglycylglycine 43764687.68 6832531.009 8631843.021 50304746.65 31357666.16 20310005.11 27464504.83 36768663.47 7644300.319 77821082.77 39040477.21 9822774.756 116696015.4 74456623.8 Guanidinobutyric acid 234103550.3 270994382 354839775.9 314224632.8 63554607.3 52296099.98 64389132.69 77522076.51 50980467.78 56431561.73 42991718.17 23166921.55 26464904.91 27267734.46 22864443.68 40080764.68 20571220.7 87201556.58 44014178.02 67487913.37 133368715.4 42475529.13 27867867.1 26149025.25 19293720.25 14629578.04 29933917.73 42191150.26 68783746.67 18908852.9 80192282.51 32234495.24 27180122.7 24559460.58 36599101.18 49974131.49 Guanine 11414340.02 14362795.24 148071821.6 36929601.5 47983667.17 164411108.7 168212394.3 29862316.48 190762119.3 657170731.5 604063516.9 663098089.2 151842826.8 165673097.3 159626954.8 180542470.7 600396529.5 594262515.6 557136872.2 610463027.2 152773843.2 139122154.3 142565038.5 164340265.8 570572831.7 579851807.1 516980460.4 548362178.7 108638214.1 106396857.4 97990547.25 120561646.3 430318686.4 369763461.3 402783211.5 394497137.9 8494900.181 120227096.7 13958792.21 15206445.95 13707377.71 12820780.03 73164220.47 57702082.84 60736243.07 14145718.5 8521038.501 13412757.63 12559200.69 61382159.83 65361736.86 Guanosine 133252313.6 80142922.48 81301337.09 103412878.6 172297854.2 228393775.2 508269704.1 498857925.9 123705016.8 513680318.3 644048874.5 558498012.1 648199084 475942888.7 434908459.6 524410965.2 516840559.9 585058749.7 589234004.7 500411086.5 613229370.2 429548824.8 392090106.2 428355634.4 459500638 495571893.5 526918357.8 473254901.4 534902290.3 341581731.9 328657884 470869111.6 438270628.2 423407643.2 405285032.8 602743357.4 424106895.1 56172560.51 64975302.85 84118016.74 167020546.5 360079851.9 353459990.1 404720808.8 406892249.5 195344516.8 392921993.9 469327561 393515772.8 395030544.5 33988760.64 22472295.06 49568896.51 64188288.62 56061751.06 63728672.45 28987157.4 26425841.89 68782822.32 69522186.72 72809599.23 53804195.79 Henicosanedione 7843961.397 8936092.69 6165550.582 5106773.229 5714456.989 3009660.903 7250447.373 6004809.403 3541126.299 6226203.052 9566845.992 7226265.182 6328179.498 7491504.514 5700248.003 7520556.693 6764167.801 8661940.466 3458592.605 4582412.871 8828341.066 10727084.36 10982268.29 10908091.06 7990454.04 10809588.09 8722676.057 10026597.11 Heptanoic acid 55044523.96 57769682.72 53015846.42 67687209.05 3273460.515 3879602.549 5141126.864 19248421.47 28591477.88 21697938.19 8814816.371 19066041.83 19063533.07 22986276.4 35340097.35 23947476.24 19609070.43 23566427.53 20717549.18 15907215.62 29359405.1 25197970.44 18192326.68 34135653.05 22648009.16 14668644.39 11868358.23 15714713.69 48752993.07 55857444.73 92532443.34 69960792.74 4064305.508 4027066.409 26888577.73 10542147.32 10249523.5 9729254.872 7589208.668 14604136.89 12371028.61 19663542.28 17149173.74 9522792.755 7716016.766 11943300.82 8573633.806 15955787.57 14836221.57 11180665.6 7926120.517 12057397.11 11730399.5 Heptatriene 25592245.89 7365647.969 9275171.764 9569429.072 6282239.298 18873255.78 13495956.15 14084783.41 15154092.8 13857185.05 6489669.018 8366492.149 5536308.129 7067552.371 16780071.64 16723233.55 16934764.85 15751748.58 6242398.878 5404486.081 7400311.028 6785691.274 21752274.78 41138353.47 14969530.62 4612018.545 8496133.619 5604384.569 5992720.088 10850313.1 8091273.9 9925869.276 6906938.092 9128111.181 8434199.749 3734645.001 3126928.869 Hexadecanal 20710263.71 18714687.9 13205257.68 20272938.7 18037518.54 19630369.36 20379849.92 17145877.7 33540143.85 31161250.32 29648032.82 32452882.18 31012515.42 29011195.47 29112218.38 29730435.29 19796056.17 15569925.5 15971218.39 17773708.91 15516010.16 15040031.7 16731371.23 13816578.07 24435748.29 21965633.62 23381900.98 22689290.75 21257911.15 21417296.07 19516052.66 20849751.89 Hexadecasphinganine 12217504.2 48766624.55 62998762 65016724.67 66933051.49 116122040 111970623.1 110740791.2 109828515.8 110415605.9 130022924.4 15376190.45 24719612.39 16933787.38 3587714.742 Hexanoic acid 223413290.9 80254059.3 127303157.1 589330534.2 4065420.277 24641623.2 67089657.93 76301791.53 1020025091 302668244.3 33739453.36 Hexylbenzene 3298698.64 3086468.388 4010348.116 3518860.648 1621230.342 4915567.312 3075034.431 3435720.737 2040297.136 3518445.974 3488578.853 3100064.311 2633221.949 3438964.907 2370148.239 Hippurate 35709472.48 24461011.81 24919914.43 30826965.23 22396995.77 11553389.01 12723595.39 15682819.25 13901558.99 15481466.02 14744164.49 14252469.56 15610535.94 7652321.236 13128114.04 7003714.282 8656310.186 70000697.81 69359229.02 120940522.7 175016350.1 1748309.321 1401175.902 29814930.92 9235628.664 10253722.99 10260004.25 9131069.413 8375659.992 9852543.757 8629068.987 9634432.339 5706277.593 7188356.4 4257418.325 Homocysteine 5960674.43 4501322.232 4370545.66 4419458.596 4723569.125 4262442.522 4159388.728 3581786.68 2979244.631 4021656.386 3439937.652 5267758.579 Homocysteinethiolactone 583730467.1 55676672.08 85937937.57 86077935.45 87227191.14 202507881 191926829.4 166839097.7 178351333.4 156370346.8 174050701.6 199038390.4 1008329724 612587066.8 1021258924 638375194 966613891.4 921134672.1 575993758.5 753051510.9 22790930.55 22631678.35 88622679.13 44879683.14 22715867.68 38818050.63 27152013.09 20048067.92 28104216.53 44652790.38 35606181.19 28775352.16 50720053.56 112241450.5 78385438.21 102511824.7 107319379.3 96353756.75 40424662.78 101014316.2 100389607.8 Hydroxybutyric acid 6173927.912 18903681.54 9033909.707 14512852.78 8616496.407 33757052.68 28066129.22 31030933.89 35586130.48 26551724.31 27531793.27 25395900.12 23623233.74 19373757.67 18880475.13 12449151.34 17990054.07 7882689.894 7475443.903 6789548.555 7294902.414 6847639.483 11307952.64 13073961.74 8559936.572 32347746.56 25095378.16 28485911.53 29220936.23 28527228.93 25911449.11 23289812.58 24399071.7 9395927.317 10046678.14 9789701.07 6772249.82 8527197.47 9337828.575 9179555.282 8659632.184 7418176.538 8019703.782 10119065.17 3625096.887 Hydroxybutyrylcarnitine 8770213.9 3024158.352 4032228.265 10535589.4 3088442.746 4060825.557 4196247.096 4255789.982 4709610.715 3101143.57 3348122.364 5206397.934 3490687.905 7686940.897 3694847.477 3726769.189 3740881.287 3624796.919 3917696.284 4247307.121 3478607.362 3508545.581 Hydroxyglutaric acid 31844249.98 13477073.01 696122997.8 576824208.9 497899235.8 736731528.5 379169061.4 357193130.4 577112901.8 399270597.5 1374821225 281950405.9 194981142.2 304654535.6 278311006.9 162026534.8 1026152549 192568722.8 Hydroxyhippuric acid 9940496.193 10956454.35 9871079.949 10511334.51 11906219.56 4843888.157 6001262.974 5140411.023 4619485.47 5754582.78 4907393.041 5143541.49 5196963.345 4139035.131 4422676.72 32274115.56 25869166.53 16371131.6 10948750.27 15141937.96 4416515.12 1412740.008 2545868.044 4527854.042 3172789.134 3218327.425 4531809.299 2953015.054 3201261.248 4566552.37 5353831.2 5337048.984 4029700.863 Hydroxyindolinone 5412157.37 5848038.122 6066066.672 6136657.789 3443112.115 3913992.382 3073160.887 2959495.269 4864432.4 2500837.244 3101571.729 3859373.086 3024740.897 2604902.264 2771647.694 2722121.534 3756914.094 3876052.557 3174154.384 3347067.141 36060815.61 33327398.6 2400329.141 1674185.938 9640701.06 10455998.76 8368870.884 4227409.703 4366240.314 3558369.319 4308281.923 5811282.663 54812474.65 1945137.173 1798039.973 1998939.767 1816461.358 34412964.77 2985286.392 2591795.618 36140084.72 1675720.14 1673955.64 2144800.19 34598618.57 36900892.45 2818714.2 Hydroxymethylbutanoyloxytrimethylammoniobutanoate 109706843.4 45261305.69 78789132.64 126564121.4 5824209.553 5402899.989 5013544.563 4620120.965 5462006.591 9614884.062 10406180.79 9215857.763 10875722.31 7104229.657 7211950.139 11156656.47 7729828.382 45083543.64 52411048.37 116880753.7 6465804.308 7225816.1 7091016.739 6667282.637 7216764.288 8453771.966 6180966.746 6374992.862 5775020.585 6287314.309 6278187.055 6545322.407 6543535.297 5450714.257 6810235.715 5188493.383 2869697.195 Hydroxymethyldihydrothiazoloindolecarbaldehyde 43185138.99 42956046.67 48164539.94 6499029.184 3569620.635 3353495.001 4452952.899 3714183.572 3895597.88 3859185.62 3204366.701 3822976.603 6314075.271 6438314.663 6007341.005 6623509.307 10654567.01 9934038.916 6738932.481 7288839.214 8551339.971 2792271.83 2610734.752 2919471.842 2307698.544 2369754.242 2439928.69 2487793.821 3022932.344 3332501.388 2192941.206 2631782.404 Hydroxyoctadecadienoic acid 198919132.3 11060341.03 35940173.41 17701523.92 27484868.79 45159339.12 6100520.315 111396489.3 123966374 53455119.29 135342485.1 129019348.9 114741984.2 8658371.289 9186913.183 8039863.018 8307745.298 17106968.14 14629734.53 16801861.41 26715910.23 24967150.87 21146839.35 19234695.76 4358544.998 123287516.6 174104002.7 469951679 36091322.54 38523611.96 11185378.26 14911706.45 9092669.845 40280980 40030440.16 37551229.53 36089897.54 38289440.09 34439566.3 23260738.85 21045382.78 23559031.43 22661480.71 23092257.01 23407835.04 22929914.24 26616998.58 Hydroxyphenylindolethylacrylamide 35595509.33 54965081.15 45403516.06 30127415.69 41335749.33 45848648.59 44013183.12 50844005.57 50036761.47 45841020.55 41781829.91 42530444.54 14953068.77 15105688.65 17392955.27 19427744.02 99162001.68 68486792.85 33047217 39692786.52 30879717.43 31149930.67 28810911.02 31153836.19 29474213.01 30273130.77 36091327.53 25573325.17 30094873.82 14747506.58 Hydroxypicolinic acid 37855604.72 31178189.83 38616882.11 44862097.28 4380241.66 49478604.5 16988164.93 18034586.24 26095551.15 18848669.23 21498718.91 23734053.89 20675093.31 22129013.12 24755556.15 20815530.98 22600268.69 22352818.37 65085435.04 69762928.78 55385433.6 50309915.63 65584343.99 19518971.84 20444741.61 23788945.71 21488886.37 3964195.749 3816103.968 19190913.65 21137698.5 18440598.31 24628378.5 24337932.98 15613380.66 19986318.35 10519506.06 Hydroxypropylstearate 27693324.49 22528394.81 16647146.5 27148363.75 22914101.99 23084906.63 24675928.04 21805906.68 33644512.18 30828931.7 28074667.42 30434177.28 25796802.73 26578953.71 24935522.22 26610818.55 22327987.4 17309676.79 19954538.76 21515764.85 16963315.71 16761872.74 17157386.85 14044396.17 10913556.25 10257582.13 10096710.75 11710073.55 9166880.974 8175443.694 9202183.235 9054812.759 Hydroxytetramethylhexadecyltrimethylbenzoquinone 11920414.01 6374188.136 8997140.782 13916390.82 6918970.868 5724075.588 6197132.491 8273379.701 3218641.75 3038167.669 3001400.019 3154102.116 3165260.689 3175228.236 3025555.195 7793536.011 7009762.714 7365256.079 7109326.047 4614013.493 5645914.02 8461637.377 8157854.566 7862893.109 2738332.266 2820735.897 2677067.281 2886434.842 3329822.181 3343012.718 51276030.71 5298552.764 58644650.61 57085472.25 Hydroxytrihydroxyoctadecanylpentadecanimidic acid 5043844.184 4365289.789 5001837.637 3870195.367 4137432.834 3966985.713 3206446.996 3844967.985 4298700.258 4422183.367 4414833.572 3282789.165 2984504.839 2882812.569 3644479.544 4000880.347 3845954.46 3924864.233 4771999.855 2493396.211 2871186.336 2429234.162 Hydroxytryptophan 10029765.07 4353853.184 6493149.456 12255155.23 14224415.21 11714589.27 23210619.97 11040761.96 11802701.48 10995596.29 11797477.89 3502741.838 3370204.07 4239884.526 11463211.52 8515221.542 11660864.48 11139354.69 10380105.32 8051899.42 12082406.61 Hypoxanthine 541066080.1 1714050668 480965031.6 930498667 1234499160 62676994.94 107386870.1 107861013.2 126821908.5 35526753.53 3771630369 3627466624 1547700450 3898951053 61363918.83 9616191376 9639722175 10163247157 3015136222 2831252408 3840113297 2920396074 8829099621 9468167230 8990989320 8649816646 2154422178 2096939301 2138227846 1961818743 6369105394 7307250529 6973014000 6477087900 1723588775 1646490066 1888315462 1711450694 5695465155 5813922941 6833853023 5567138569 4914725.911 7763154.745 7241093.525 38538689.38 24982559.88 14405694.44 134255767.4 86369851.67 243180800 346079058.3 5546754939 5878726234 67577015.16 88741686.98 67195178.86 103866242.2 27417093.4 226382744.3 259319018.6 210587124.6 214358585 1209976784 1214507759 1004730372 982030205.6 240849635.7 203503786.9 228934504.8 180231924.7 1060811694 1146871859 1215578287 609399185.8 17136029.14 17455179.83 23116307.75 10592895.39 11970592 5630211.788 22614031.58 20792301.33 6486601.724 Imidazolelactic acid 14499232.3 11855476.61 21771370.4 13565922.32 21470445.4 16723697.19 35784962.26 34145971.81 31629124.3 50790454.14 37773036.58 Imidazolemethanol 9055333.019 4667875.396 209790462.1 203880517.2 178438653.7 277956443 220406520.4 154357150.6 264549652.2 54566848.45 60862909.35 34762177.79 55176242.8 29204742.13 34015880.63 40544736.41 38131454.2 22856478.41 8599394.916 7347337.681 19237406.3 118295365.5 109932683.9 151236304.9 136729665 220204111.3 122259316.8 105667512.8 191667739.6 751234.0177 179110632.8 87220742.72 138124515.9 150456186.1 iminoquinoline 2137274.899 2861991.136 2556894.543 2519216.029 2215859.782 2813985.88 3008572.128 3569546.531 2747356.943 3208556.595 2473059.193 2639013.9 2896753.544 1448186.387 9268233.502 4774564.246 3082332.325 5110942.241 2596731.904 3297307.988 2675064.483 2595830.42 2407889.675 2473266.583 2608419.163 2589574.324 2609115.131 3015784.186 1783765.355 Indole 41584028.56 30249813.71 44215767.06 25418221.35 28640098.92 34691214.49 34795329.21 22130621.84 26076374.51 20575890.9 23185046.73 16592790.97 12013282.43 18007779.11 21377069.99 23839413.31 88238333.21 181387316.4 48459945.17 49681292.21 44296228.35 37064811.63 42108202.73 64173431.53 49654925.24 50841822.24 Indoleacetaldehyde 29294749.48 25192088.47 2731369.736 3293661.681 3006387.136 3120574.608 7334099.806 7386701.887 8073040.543 4137715.838 3906108.713 4254520.894 3973931.277 1518022.596 1345514.131 161374601.5 77840205.02 6240516.541 4715323.012 2302094.149 2997723.857 4286819.133 4180334.913 3414159.05 Indoleacetate 2245652.874 28204048.01 68758815.25 40569020.43 31629069.05 38654224.25 5352453.725 3953731.941 3499600.497 2590374.366 2890106.573 10090559.83 Inosine 867601367.9 1072766972 2032481440 1394585583 1264728996 2975062259 3030127768 1708427392 3181380277 2189914232 2163052576 2340678864 2785483661 2649574597 3183356655 2877838006 2139028223 2138977962 2003564856 2138509404 3219818806 3057506681 3124858174 2919269363 2172588627 1768048694 2141513510 2170661834 2815343523 2617732267 2921426864 2890973369 1954813750 1470344271 1464554781 1756904006 4203818.565 4476883.598 4020019.315 4104271.301 20730663.91 928103234.5 992240827.5 255846356.7 769540932.1 758673071.4 141554990.5 401694793.7 371827911.5 462983698 404810669.7 375605740 474255259.9 405565769.9 264610783.4 385052471.2 397240772.8 364397072 376127367.6 39153170.46 48212018.81 46433443.18 47353048.35 40560186.78 14885414.83 17573380.9 9472878.752 4871569.606 14665248.59 Inositol 72344115.2 88044193.42 230927748.4 3267677.649 2814628.012 2779506.511 16506704.91 3668923.875 141048309.6 84502913.1 22211437.63 15712874.84 16490578.06 26634992.51 14682155.31 20190584.75 18888862.89 9942952.796 5448798.532 4898691.016 5876867.063 3834214.041 7512985.3 6856253.331 Isoleucine 1627730003 738089700.3 1212035212 3074797129 5069590960 2873563135 2772207386 5611034803 976492889.9 925625336.3 287919343.8 970008241.8 3480995840 3975064851 3921297372 786314449.7 829202879 952385403.4 827925166.2 3738141869 3898089625 3543116976 3735570031 525087344.3 441585466.2 444433377.6 420090039.9 2007598073 2442416265 2022240290 2761398764 348470126.1 302966076.8 471496811.2 410469829 1352842968 1256459452 2414569152 1980230607 484839699.4 111696732.3 4339925457 4149526215 2929639392 10294045256 1028829226 7014716781 13521340.24 11381796.93 1149374779 1039086757 1030497971 1183686955 3759735875 3905435754 3406007284 3660741375 956025208.9 843746406.8 1044592223 937553738.7 4024748774 5453973665 3983485944 4253258297 124950764.7 73374366.89 64831755.19 72068465.67 263243546.5 420429219.5 364707154.4 68506735.05 70139711.83 97514291.28 77354293.54 288524083.6 456227063.1 292123745.7 241208179.5 Kainic Acid 190525379.9 182057486.4 163467253.1 331508944.5 222010638 233631262.5 211535195.7 200845942.5 10715142.23 9935102.682 7847634.594 19730533.5 8728180.487 Kynurenine 17702127.9 36406606.16 34907381.11 11048399.65 32610678.21 35489477.81 29544096.66 32734941.35 4727316.993 Lacosamide 2862747.642 2857593.58 3288244.397 3145690.961 2641107.701 2436959.017 3169212 7267131.276 7919081.686 6730489.274 7072335.907 4617168.886 3982637.954 6490081.788 6508600.933 16497310.86 20024938.46 19417071.82 20824978.54 18177495.64 18242223.07 18867111.73 16225750.37 Lactic acid 5794579.492 18411396997 17379989783 11700298141 19404716728 13366895477 13527497892 14106406875 12745536685 8341379258 8631636027 8250988588 8477296224 10439457672 6859922891 6480364427 7055787896 30842494.08 15524201.38 90609997.58 16462287901 17085014237 15503423457 14260930160 13816748708 12815387135 12583891885 10876033402 7515915973 6486344993 5698450004 7118433718 4235890308 4207653873 4195197401 3409312222 41578535.39 20278787.27 Laurate 267179813 61174201.23 240530419.8 226164157.1 114371778.4 230388495.9 234319572.3 212584768 246149503 217047563 243836209.6 223164083.2 215126674 234502204.8 252130406.3 236065691.2 232883196.5 239262209.4 66563596.36 35971900.37 58699922.4 52090357.98 462434793 403731287.3 444770404.2 86300478.89 132939410.5 101217863.3 118159366.2 128064663.7 110875697.9 119411782.1 127309796.5 107957255.5 69877303.49 63775374.44 66740396.67 70092011.65 70850377.27 84466597.84 81262679.17 66710665.66 60036992.05 53345030.63 58548753.87 Laurilsulfate 142677784.1 168299788.2 222629812.8 201961542.4 4619343.084 3790411.27 4152184.982 3983623.468 16421777.83 66827396.2 49617010.61 22887557.54 60970785.53 86455427.47 71383148.98 73478684.45 45630037.74 41362839.7 44405722.39 42003539.66 84278740.24 123576697.2 76710889.78 76693559.49 120313830.1 56637644.99 58869812.43 53252367.43 83739766.08 113046333.1 4713664.436 4672493.698 4398369.698 26584520.39 49350736.49 52065062.43 45394671.03 49108291.67 59597172.3 61612845.29 64664759.95 67758262.68 631752773.1 547991145.6 620852021.3 596644093 562100909.8 541775194 579285450.7 624443644.6 350956872.9 327009677.4 318366826.3 Leucine 7463670853 2323140738 3656032548 12516830153 14091585978 6198987808 8689403696 16936591211 1406851058 1306844245 368309025.9 1412131183 4661493287 3813700218 4731166720 1116988682 1045704570 1184554936 1030106231 4160747159 4275385384 4123291034 4531589953 758258879.5 581877930.7 654477585.2 635117517.2 2509885892 2689601968 2332984689 2457385511 420115105.1 459333901.9 671596388.2 587637320.9 1644257874 1435467018 2509784194 1950269875 1380998468 4028346899 23237209464 14553159178 35237869723 31325683028 13746728.48 12217669.98 1564512096 1256906092 1407349617 1442146629 2456114855 3993210366 3834719852 3898767683 1235997240 1085218853 1368993093 950929108.4 4342024063 4642687375 2822657328 4090155333 157177662.6 87937503.23 87555782.87 86713164.72 234240414.6 363940203.2 303075881.1 354286115.3 79497985.01 93559437.07 126734566.5 104812362.7 268470351.2 208685979.5 280539438.9 156830374.2 Leucineamide 1052108368 437165207.4 638725265.2 730380254.5 17264903.81 22048084.58 25782966.92 140720687.7 149596234.2 150679874.9 133929133.2 136969872 134102995.3 150025743.9 47013193.19 67444768.13 60541499.64 54715370.98 55101888.88 88992443.35 121078465.4 57892468.44 693609527.7 804770303.1 2281436288 987956515.8 447080415.9 369146356.5 360041604.9 304534369.4 200682888.4 220146095.7 170260256.1 194701902.3 44322621.99 40876217.57 60993924.32 32366853.38 57978253.53 44045089.55 66654398.97 66012870.31 LeuLeu 4519166.103 6588877.538 2291809.9 1424518.879 5440974.711 11182859.46 10665070.32 8132147.316 12698388.5 17681588.03 15046052.94 17408390.1 8647308.743 8685453.81 7295033.139 7923154.274 15050263.93 15047473.52 13554701.94 15215847.98 3562403.909 3467382.661 2917417.902 3433443.09 5016299.358 5053631.535 4801614.489 5234327.064 4860482.905 2830079.125 1859480.582 2602935.304 3538509.124 3595655.407 4195872.425 3785695.878 21159989.25 13311832.07 16295590.91 40612616.75 4730465.541 4249413.388 3794585.452 7395206.669 9929237.1 9251375.107 8394612.1 3581816.073 9381681.612 9248761.157 8936368.336 8435549.604 LeuVal 34857120.02 119867755.9 66743062.97 70109063.91 100742607.2 117225050.1 123629220 15422720.12 13606849.53 12952727.98 16610855.65 29353030.32 29720862.99 29129822.74 13496783.31 15218687.1 12531890.39 15462804.83 29442996.32 29289241.83 27663729.22 29424830.64 7332359.067 6344299.002 5888530.261 7216355.519 11636691.75 11371845.7 11534463.2 12626648.44 10544242.43 6763423.174 4304770.338 7142371.871 9218149.749 7311493.888 11578866.88 9160853.189 23038444.11 6765077.616 4865146.47 5793130.766 5536938.645 13767576.51 17874023.18 15373391.9 13278933.78 9061951.26 7471551.829 7262479.116 8587663.632 19260701.6 24333609.8 21176423.91 22017349.62 1478532.519 1501272.555 1572080.481 1659706.429 1841410.424 1515354.451 2053824.85 1875856.848 907514.3904 922133.8848 Linalyl propanoate 93923081.54 54879303.68 30042388.8 7930307.961 6147438.879 7952463.078 5192352.569 6137640.446 7050058.597 5931659.551 162473918.3 80211493.4 106350724 66322114.56 63509435.61 65453933.24 50451310.11 49410999.96 48619645.45 36585938.04 69593249.93 33664264.35 53930678.44 49550345.4 1972507.932 109206543.4 101994006.4 127961829.7 123044528 Linalylbutyrate 11558477.72 11650948.12 16668657.76 10497616.23 11964345.02 7850372.524 9804251.099 9226584.869 6876428.377 7840101.853 8205081.215 30476387.65 23653517.49 24100455.57 26487638.09 20760502.85 20665108.18 22507249.79 8755784.271 Linoleamide 23338242.93 30817312.55 19276363.41 44008181.8 11390513.54 4918603.578 8257778.243 7663793.84 8889049.724 6887920.754 27895247.51 4298560.471 1964341.4 2139252.393 2745673.951 2128271.266 7407430.921 22088358.09 28171803.39 3483686.249 3468370.947 3348189.173 2898665.762 3275690.296 19447174.41 30290418.99 3611448.824 19344141.54 4822519.87 4625395.689 4606503.503 4520157.313 36507744.03 11358595.97 19650448.49 31875762.31 2963371.41 5162551.396 3188655.479 2639475.75 7823472.116 262732900.6 5901556.627 314213242.2 29126936.51 28023378.69 3263085850 3016507243 1260512520 859586900.8 24010505.82 9548173.416 16499321.66 9252300.808 61832297.68 3602884.624 11829924.06 25907830.21 27971316.67 26262074.13 27362553.41 1789559.288 2088521.06 27454009.92 15346948.68 26992702.99 26644780.58 3472542.811 4890142.788 Linoleic acid 4331487136 4156511512 5631480522 6152288675 160718215.4 1176333446 6145138.346 574495722.3 9401864.222 10561109.02 1044056802 1158850408 1067095485 1716177615 1507115430 1514595121 1481618138 1895562623 1540038020 1503157569 1983382822 118509706 76599303.29 80283252.13 119029562.8 3936084854 5587479263 7313643771 8028212332 237187694.5 309567235.9 320145569.1 299678281.5 314353030.2 337755726.3 365843580.7 351704409.2 665133784.3 651196225.8 666233200.9 762071992.1 598045753.5 612226184.2 613708950.2 658430135.4 81945081.62 50736395.39 Linoleoylethanolamide 17484115.89 2973146.675 2930626.846 2936118.244 11375289.15 12001347.91 11688867.24 12616789.51 8533129.801 8789014.252 8030283.503 7665314.505 13758898.62 13070759.32 13549015.48 12800603.24 3090050.283 3257381.617 3831962.986 4251423.283 2343218.548 140560690.7 93669539.26 25981298.89 8853792.53 19549711.68 2757114.234 2843255.152 2739716.875 2215824.428 6706083.587 7752535.81 6645383.951 6740727.695 5621484.221 5567867.55 5929543.238 6020182.03 L-Threonic acid 13628431.99 23796479.56 10693090.3 24914869.49 7188933.649 13831576.02 20378915.59 11502288.69 6955006.616 4044283.171 2742783.751 2999037.933 10011634.63 5271148.081 32581591.33 48849854.25 71099067.65 46791453.37 69168584.43 59057902.61 31716986.49 62008390.05 51306816.39 44810723.26 14514958.97 10562157.96 15877884.26 11277441.01 14659451.67 39945029.3 18130900.12 Lysophosphatidylinositol 15629452.2 14651911.81 11224833.4 15934017.5 14659107.54 17203297.21 13692932.08 15804529.88 20071288.32 17398370.15 15672456.12 16490018.19 40972944.36 20582748.75 11942876.69 19484471.53 9571677.966 8855606.699 8949117.086 8620543.463 6989749.739 4669679.016 8135075.813 4970889.937 1274825.357 1940210.834 1561803.289 1854145.193 1207879.763 1437221.196 Malonic acid 155365712.9 164691982.7 131303705 54739229.72 36468185.64 38018453.67 17126790.53 35959264.23 38519086.23 37997920.59 75950339.44 52798430.56 13416237.45 18208344.76 8565529.477 6240492.281 36178094.47 10332929.22 61543845.32 55136105.16 12146747.03 5605088.093 20535768.83 39546090.49 119963049.4 8021214.496 63941675.31 59729668.66 47865507.44 67601362.51 103289643.6 83841977.61 59511459.77 89036775.71 46168437.39 91942938.7 83043478.35 56329590.69 82764093.27 103375705.2 64786907.02 90767971.27 7591637.897 6581639.066 5551421.289 16927892.95 Menthylisovalerate 66198521.14 40814224.29 57867555.61 69133706.55 31762376.41 29230767.05 14493807.1 32753378.48 28025331.47 31546544.56 27252539.48 26883509.39 53620030.35 53428421.25 49713353.89 5189601.898 5355647.433 18530616.93 24626365.83 40685682.17 39292725.24 11763138.46 10459765.63 9644090.99 11392710.21 9402461.968 9765282.02 13209958.19 9753314.09 11978187.56 11005791.39 11962328.42 12422379.85 10733684.73 11362578.26 10522409.16 11896678.93 Mercaptobenzothiazole 797427291.7 665767325.9 774820253.3 974269029 7074180.811 7811469.386 98442923.04 118232201.8 144016046 153361976.8 169118650.6 114413024.6 121300255.8 136362696.7 132829097.8 167419136 202387110.2 237040009.6 244613580.8 4494491.202 786164667.6 521944761.7 565885426.5 771775427.3 241280520.8 6664070.404 81072867.28 85032544.65 287662235.4 97125241.3 91352476.02 198252707.7 313721655.9 210252505.9 Methionine 795837137.9 193249619.7 356241235.6 1397649889 2039288923 5305688569 106919653.9 70031512.93 109258411.4 64120404.97 79718356.4 88961796.19 74352892.87 32405842.22 73523327.96 71480425.19 132793828.5 55024005.94 243003046.8 3995553634 3353950111 8959474135 151428512.6 118787402.7 131746492.1 144435918.1 110525286.1 110440981.9 870434474.5 1297667768 801938048.6 44258634.61 64375552.38 Methionine sulfoxide 642883667.2 37050926.53 89462381.93 18460116.11 267816729.9 120954959.5 Methocarbamol 3637491.155 2609216.82 3030670.015 3324263.409 1258134.064 1537331.027 1845569.87 1645918.542 1251527.486 7392575.937 6723817.103 1977096.092 3184112.668 1800592.97 2174022.914 1651992.992 2287780.389 2189399.512 1673985.189 Methoxybipyrrolecarbaldehyde 15826828.67 11555931.09 12475822.08 10552050.13 9397165.755 6173499.68 7250144.343 6979172.084 7589121.205 6177748.321 6700346.942 7265032.874 6165123.888 2913688.3 2761014.986 3358628.863 3438214.594 2316985.884 1643148.959 2060201.969 22587411.9 19963374.84 17940298.75 16781372.54 6393812.707 9685333.354 5067449.339 6086866.985 5380830.128 5828113.161 5808400.867 6017781.334 7320665.644 4595113.011 6246909.007 2974876.439 methoxyvinylcarboline 20537771.45 20682547.54 21239137.55 23553003.82 81280329.57 77428690.05 75812886.4 75770289.87 17250621.94 47958808.33 10748380.94 14176081.4 15414893.15 13953078.38 47505376.53 60110393.84 57653637.24 54139128.49 12959721.31 12730779.33 11850202.7 12211178.57 51387821.06 52966087.26 43571884.29 48727082.08 4041851.86 6845311.132 5098424.901 5466941.444 16915638.6 17519952.09 21277495.4 17840719.7 38464246.38 38724884.62 41514024.86 57267470.45 127513631.5 135774761.3 98027725.05 25989918.81 10827766.12 9871120.651 11538978.25 8260670.195 53528525.66 75976925.14 51915985.48 46823672.5 7967318.981 9418651.798 11977486.8 11380531.24 46295388.28 58200897.6 49658758.72 45351829.8 10558166.47 4593872.47 5953065.631 5235888.394 38221600.96 21070358.12 45233851.3 20500194 Methyladenine 6332132.923 7735347.845 7780644.043 8002623.71 7894629.528 Methylazabicyclooctylmethylbutenoate 3801572.603 3872812.329 3139901.466 3729496.708 3730844.961 3811975.914 3098249.587 3066568.384 2619199.533 2672227.209 4682279.736 7608065.759 2881698.759 5120473.287 Methylbutyrylcarnitine 29800634.48 48386905.04 84164636.7 18106290.65 11859665.01 12304537.97 11236411.54 11565844.02 10109549.31 11300089.94 10739953.39 12066953.45 11529769.38 11775649.43 9886908.846 11607975.31 9529767.829 83099191.5 83847079.44 12839871.31 12959735.53 13717982.71 12768514.53 18023963.38 18244226.94 11881925.36 21595449.42 16767520.18 16722263.7 17402842.97 16856532.47 17471675.92 16498274.66 18583666.24 14753305.28 Methylcyanopentadecanoate 5398168.725 9122613.296 10105958.87 9895312.93 10317860.47 9959820.225 8367419.028 4273654.369 3842832.928 4519784.814 4638127.053 7184636.392 52046486.62 13960147.28 20433640 5736619.239 7265677.87 5677201.808 5809555.781 5608984.698 5427004.784 6281952.547 5469149.697 Methyldimethyldihydroindenylimidazolecarboxylate 18713903.17 40868449.67 22806111.4 16202509.62 22137970.34 23120520.25 26011896.84 24365539.2 27954459.88 23338429.26 21213693.35 22676574.09 21386690.9 5602825.268 6064489.441 7502369.207 6939292.665 54421749.29 42881075.28 61912148.11 41272394.84 53910765.55 26533744.62 28335303.04 26579911.26 27827241.12 17071578.42 21194028.65 19813565.97 17851004.03 15038375.74 9587442.26 15829689.24 6705634.872 Methylguanosine 9376133.055 9332632.744 10231237.1 8921101.329 9226464.718 8303987.372 9006408.898 Methylhydroxypalmitate 32767316.52 10927660.92 22073934.65 50930974.32 6252035.419 101423797.2 120429662.1 Methyllinoleate 38867839.46 64748218.41 85501231.76 46309774.02 42468545.81 52597359.59 20480874.56 53746396.34 40384508.57 46476301.27 55856030.25 40795247.59 53347012.32 25175592.25 50003248.41 42565353.81 51589120.43 38964704.8 41395811.44 27254850.51 53854643.95 15553463.98 65075359.58 58400988.47 13346815.78 14176254.81 13612485.48 14312585.57 10847679.38 12551814.09 10003810.07 10792323.41 9016992.558 8259185.902 5935082.673 8406527.009 6389179.514 7809260.478 4398014.29 6734677.683 Methyloxobutanoate 65227708.38 67786336.56 28339453.12 73200159.68 60633172.82 61342660.55 65136583.43 68484342.98 26868073.76 22242186.31 20129323.77 20181221.16 18026750.37 18738129.33 23660559.7 22184042.51 198454485.1 162798883.8 160642307 203009525.5 130756863.9 133825996.1 163852639 139559153.7 76272235.98 58967190.39 60506147.36 56318790.38 54233065.73 52828840.85 57282258.91 56981356.26 Methylsulfolene 2887543484 1039665974 937583220.2 831332731.8 976915595.4 821488603.5 839418192.3 725328355.6 790883476.5 218281177.5 265210153.1 207969539.8 284215261.8 278494280.7 941278804.8 10867529381 976193354.7 1041605346 910798205 1158979057 980647373.9 Methyltetraoxahexadecane 15167218.77 32996953.13 42498239.95 18995669.35 3526333.286 4902213.915 3804733.755 3417927.528 39683358.48 45853050.78 10355986.2 50425147.12 28536819.58 39897265.05 36922017.69 39585023.49 46497268.27 46554713.29 65855112.33 28000769.77 35297867.17 35805010.34 28875380.9 8151399.216 5742850.424 12809956.2 12246197.82 37364513.8 36640356.25 79578373.99 5022982.766 3596158.875 2964631.864 37969702.33 35880493.02 16119815.04 18410269.77 16744543.75 21145486.23 36557487.92 32788798.21 22619885.32 18532240.79 26167163.44 17608053.36 37040512.94 33453497.79 36953432.45 32031800.07 27547914.1 28596386.16 32158653.84 31579002.11 24683623.32 Methylthiazolidine 135272563.2 45792949.11 40670866.69 44270753.93 33974809.23 44573263.08 36562132.46 37144995.49 Methylthioadenosine 8682771.709 22048173.25 18657706.55 11033694.36 Metominostrobin 30607656.47 27609866.5 30860188.59 27448805.3 28713770.19 26327629.57 29782832.05 28862370.48 30215684.14 23843070.59 23457751.35 22162298.56 19235493.87 12940096.64 12948106.08 14775208.05 14602891.99 2870777.606 4501703.434 24877422.16 29650600.3 37323140.82 43033082.47 2570995.478 40009568.66 24985767.79 27553435.13 21132495.85 22393065.67 21525100.74 23539416.11 24711889.54 23165041.55 27279601.11 18318839.94 21515996.92 10847332.75 Metyrapone 19933452.74 17395084.27 17983730.69 16745641.22 12640826.21 13157539.25 15238501.96 14699302.96 15171487.31 12455953.08 11632932.87 11026557.58 11279705.26 6234820.255 6817716.685 6262413.044 3076254.064 2686438.632 3891854.344 18142788.61 16900885.81 27220655.51 26431527.51 2955668.496 22509161.16 13768855.67 17220672.85 12887309.88 13070438.69 12719143.66 14816926.66 14797808.9 12120112.86 12089190.96 8730074.61 12636155.9 6500655.969 myristic acid 1006106547 897491291.3 955805467.1 1181493218 17970253.34 19774691.03 21266804.99 78884132.6 3310337989 2997748815 1424527471 3304512999 2837581676 2463826664 3147792415 2970118901 3691877908 3326969117 3449213084 3367689944 3384965138 3398994474 3275334611 3647208492 102376717.2 47827453.51 86095401.74 78077796.63 918616642.1 747361490.4 13005961.29 15095010.59 17002002.05 18935786.89 117589413.7 781452860.3 723869604.1 750029764 814713073.8 676685377.5 675999118.7 698740371.7 655964502.1 1628081071 1511803925 1667349846 1532201291 1419911351 1434254746 1429060245 1620421724 98842127.62 89101788.31 80078790.34 98516833.05 Myristoleic acid 98255452.59 89340552.85 115460565.7 7983600.471 129860563.9 330340794.5 9278007.351 5550756.13 8801321.573 7893170.425 45850126.8 50654761.14 51439952.55 58726517.72 10193936.96 84662425.42 29701918.48 28000354.15 27270724.6 27103477.07 27256444.3 26138006 27033364.92 29123472.54 Myristylsulfate 70297974.26 67012221.9 85046377.24 70087544.25 5986005.213 29330783.03 22573239.93 9871399.109 26852974.95 34164712.11 32776132.99 30180343.82 28845848.33 24362612.63 22119182.53 23601920.52 20540135.59 32388241.91 70973885.76 29686684.71 32438582.29 31095649.99 32999829.27 17264235.53 15971412.9 44842047.03 59862172.2 19646200.91 22344462.12 8232803.634 22750434.31 23254441.01 18958353.18 22586033.97 22768604.19 25420937.68 24720177.46 22826621.28 198031865.3 195229229.1 194629720.1 173229347 177331698 177574883.9 199963159.2 254310442.5 270915368.9 237766816.3 117316251 Nicotinamide 13980842.68 41997415.5 1282144751 852019347.7 1138215673 926632329.9 949983888.6 880627793.1 745206835.4 332035752.4 333596968.5 278305784.1 459110397.2 301915047.6 174613002.6 1212097780 790455341.7 59171216.62 170306013.3 194952216.6 124762668.3 6646828107 5565214073 6278870252 4558222388 208105801.8 216137695.6 67941800.09 213718846 4958391533 5553084215 6481638945 5944902514 64352265.83 228654485 256791542.3 246475654.8 6191263128 9350472992 11012923231 7668397978 140199610.6 235926109.9 66233929.22 232531680.9 6911213658 3962076260 5305975054 8615116323 Nicotine 38515534.65 39511289.44 41524360.97 34834911.51 24610357.92 7017117.253 6779481.483 6740991.867 7856903.823 12861884.32 5358038.258 13224017.01 22346827.44 11270715.16 8007507.287 6037581.309 55490907.98 16662482.9 24004602.47 28056318.07 19355212.06 27774193.84 14667383.09 74104802.55 11960557.96 6054320.979 5774137.129 5153110.468 5249087.794 7714629.663 4663372.556 4968775.489 5312171.371 4687723.229 116017576.8 60106903.74 57811709.92 11834016.12 Nicotinic acid 10193666.69 5961020.284 8038201.984 68234082.88 68834081.24 50374843.89 80055172.48 26593509.75 26841709.3 29926208.15 48592381.64 54802852.79 59300060.2 57624605.52 23600698.76 24755039.54 25958707.17 25621841.76 135845947.6 123681615.5 119740645 119946185 39349239.53 33259133.92 27126433.91 34240271.48 183887622.9 116790043.3 86085774.46 113006949.3 23473783.87 18564197.45 34205230.06 27174916.04 10527965 13385549.33 8181782.84 6499026.372 27042483.57 34645101.36 29315049.73 26767176.69 13692966.42 12782456.91 10529126.21 25839868.15 24646438.47 24408120.13 23712475.48 12750731.52 20876363.52 14146866.75 70780009.86 67743737.48 68875670.41 63930528.64 16395993.31 17941476.21 20915799.51 18861072.76 53476198.49 55085563.49 60489872.82 53147236.44 16241043.42 12808215.28 15396512.39 25705758.17 Nitrosomorpholine 22839453.72 40156739.59 23558674.27 18222682.22 110040418.7 90769138.13 78700725.12 115534505.3 83514730.57 93349950.15 94063863.37 105620619.5 110199444.6 110621613.4 112792824.1 100030749.8 85259666.44 109745484.5 136521232.5 43910430.17 18263134.43 44856946.44 23475983.67 17337467.11 53026753.62 52805621.09 53020764.11 55125374.28 65271604.38 35146616.3 57498357.21 52562392.36 74981617.8 78389520.42 84629951.56 99392932.29 91596595.65 59299239.06 82180471.2 63151919.36 Nonanoic acid 716627409.7 860372422.3 914888039.1 958527461.4 93988349.12 506276898.1 727132519 483855969 266884618.6 453075492.9 480800838.1 480222939.5 907477873.1 522438063 695667389 628170712.6 515240313.8 462433250.3 712728558.2 625867792.4 411339888.4 976197480.2 560322339.7 460852528.5 458005842.1 430123222.2 958975012.4 954618467.9 731241441.3 809167842.3 21702617.76 91554851.26 95824982.25 733967655.2 416741871.1 250590330.1 286205242.6 304037324.1 336976783.2 444185080.6 479950845.1 362762152.3 370783198.6 416054566.1 382414227.7 290766365.6 362543352.7 445373509.2 541887517.7 431186874.8 430377619.1 461848831 503996078.9 624725132.2 Octadecanal 3451446.441 3205026.793 1981687.262 3649693.115 3285035.252 3609517.581 3572697.203 3239418.44 6298076.494 5449598.825 5017041.946 5434796.018 5079213.577 4885287.868 4936324.408 5125173.451 2326000.63 2309489.733 1999886.001 3798796.356 3267268.935 3447139.803 3154805.123 2922689.328 2982295.788 2655193.143 2778764.137 Octadecenal 8449269.144 7114184.379 4379084.36 8177359.678 7177521.064 6823082.629 7452220.02 6353086.423 12540764.18 10049827.29 9714492.119 11212605.09 10219501.59 9865309.422 9915211.381 9817648.988 7019066.5 5324866.065 5888903.281 6153917.1 5167467.062 5541869.864 5709312.983 4927823.901 9004445.429 7875897.665 7943890.623 8439197.289 6984245.946 7352941.468 7153168.088 7713842.146 Oleamide 9575798.219 145893774 18056723.63 2117419.753 78638533.1 2010200054 142379569.5 21756814.01 58805953.27 109707851.6 51333036.42 83150782.17 19886050.69 96449399 5643554.678 6865933.231 8679308.676 7154404.542 69635074.38 79837725.72 78124094.04 83354408.21 11483541.24 10723737.72 8350275.006 9555801.367 98769534.1 117300139 123759161.3 109747376 14629395.39 15803751.25 14519067.98 16015114.23 146445596.8 136332351.5 158016474.7 142596761.3 8870754.547 12940843.86 13486305.95 8385258.812 40270835.52 30939055.48 65484332.09 45714049.15 100296487.8 77288936.98 13189342.74 2641695215 113458571.2 369768240.5 65686782.05 63374662.84 38828705.5 73030101.63 35275878.34 23760994.29 117994596.2 7916435.67 4615065.128 5283618.493 5087340.533 4538687.604 42598233.92 54515402.5 43488871.54 44227853.04 5040285.828 5569430.682 6881017.586 7550372.725 42605137.04 49431589.3 64012937.01 80191137.54 3140086.311 3536454.039 17726895.09 23999920.26 3319445.802 Oleate 17267291000 15317205241 17075874438 21008367461 19072573.46 27332486.56 32046142.02 346314422.7 18033218690 16469326610 8028702387 18418463089 15572588403 15445803885 17786135136 15780056313 24213945852 21905573884 22659917523 22255310346 22083478603 21552363149 21169269111 22997072014 452542973.1 191325240 273905398.9 407030477.3 9425379791 12841226438 14025649578 11143606738 5539253.229 6910970.708 15743891.14 9555147.118 26856533.11 28760067.74 491871566.6 5175918975 4940685606 5111974247 5412523556 4257944691 3906082588 3883400218 4317536978 12669400683 11873278744 12713349703 12271597645 10824369291 10991021217 10769986370 11715404393 218303949.1 360134808.9 241406035.3 137749519.3 Oleoylethanolamide 7843961.397 8936092.69 6165550.582 17484115.89 3529068.342 5106773.229 5714456.989 3009660.903 7250447.373 36322819.15 30684836.42 31788576.9 6004809.403 3541126.299 6226203.052 30623728.98 22798532.3 11688867.24 12616789.51 9566845.992 7226265.182 6328179.498 7491504.514 41841552.35 44817869.56 41946443.62 40489845.96 5700248.003 7520556.693 6764167.801 8661940.466 30389089.77 48188562.25 33518876.92 31560755.99 3090050.283 3257381.617 3831962.986 4251423.283 2343218.548 140560690.7 104936955.4 53577816.95 12081123.8 19549711.68 3458592.605 110782351.8 4582412.871 2757114.234 2843255.152 25387375 2215824.428 74714997.49 39521078.83 195581740.2 115470087.2 6706083.587 19539340.62 6645383.951 6740727.695 8828341.066 10727084.36 10982268.29 10908091.06 7990454.04 10809588.09 8722676.057 10026597.11 23374107.48 22671009.29 23528226.93 21529741.72 Oleoylglycine 3665252.172 5480666.525 3268445.172 3263060.446 3733711.205 4306480.647 9294930.201 9482934.006 9137534.676 8654941.033 9713493.654 8430820.696 8074660.043 9750759.781 3768023.657 5503813.659 4437122.954 5624935.373 4420886.717 5153111.876 5713157.283 Orotic acid 27974897.26 27795161.13 18424675.56 25383853.89 24283670.54 24342751.1 25013975.63 23678977 7373238.355 6335642.969 5405871.755 6445867.915 8538626.924 5002847.445 5179513.47 28063676.67 23546104.79 30043410.45 29721467.67 27732083.93 21668547.01 20927578.01 19699685.83 667755.8107 944807.6484 662110.3338 772046.1967 O-Succinyl-L-homoserine 36717415.66 28864928.48 25235970.03 36855174.55 29768128.29 26179752.17 30234410.02 24065691.52 7133151.677 5466732.71 12145677.05 7966847.26 1904778.25 1728979.824 1868043.055 1772065.988 2565641.215 2027457.217 2421957.211 2178078.822 29085844.74 42800296.64 50940111.25 32274418.18 35002193.43 33348690.69 39394326.45 2994212.879 2781198.315 2749814.023 4953543.537 Oxodecanoylcysteamine 72417372.8 4390936.309 32600884.91 81288792.53 33786469.03 21681675.55 28684092.61 23625141.05 30690177.74 32287937.25 40723594.07 33306328.57 46053331.54 13924106.9 51167025.93 89145256.07 15440163.5 33442545.01 61539351.05 54627702.71 17553308.69 23866052.19 62300377.05 26302821.34 143248352.2 195960223.2 124372430.5 286897850.8 43939391.53 33038019.56 33598643.74 63788831.53 81286292.63 63893231.13 40417252.72 26071954.48 39627644.32 11519731.97 13989704.67 15379896.94 14548162.33 11993937.22 19367908.96 12476971.33 13007368.39 10319322.76 Oxononanoate 84881762.96 34406495.88 32953233.7 70248774.39 10947966.2 10291573.71 18520651.26 38353889.9 24527032.64 11869846.67 21677592.85 33316473.35 17027399.81 36314931.82 18855855.81 38050531.41 39131336.71 34936138.81 34568775.36 46239480.7 51065641.35 32531087.59 24920945.93 10148080.54 3564581.076 11712139.75 17746600.81 47551707.52 58199371.32 113458258.8 31774430.94 17906099.26 15938281.67 10327912.16 28000055.82 11870260.94 11958395.79 10781919.84 19159246.98 13022773.48 23653732.66 26091113.64 Oxophosphonobutanoate 13139422.92 44511169.36 30501273.73 12901905.4 34389089.48 39380029.06 26567867.18 32736259.81 33112015.08 27948043.71 32729969.49 30341809.84 21366975.16 27588296.76 28382644.88 28357631.37 22052235.82 23575493.98 29830919.97 28356969.03 9988698.679 18488909.12 5686353.066 7198428.872 9059931.554 9969940.281 7549909.107 5199627.56 5418716.719 6481251.012 4403355.685 4191210.309 3994234.606 Oxopyridinebutanal 15130253.04 19365575.87 15673731.91 10962112.77 14856705.5 12375050.17 18066330.72 13979275.88 15201519.15 15697574.29 11362897.62 10852870.31 11234599.62 5130007.237 5637274.684 6195362.648 24898009.57 22107662.33 19526574.47 15465952.98 15749719.03 15962034.14 16234649.53 14965294.36 10194868.9 11014455.22 11180293.61 12785808.16 14678563.24 6225072.859 Oxotremorine 8054833.368 11151179.82 10348378.31 5970884.42 1923473.837 1880334.941 2121844.331 2143879.306 1660840.011 1762288.367 1510057.155 1811265.371 1894420.588 2564613.439 2478922.944 2649728.26 1611766.784 4099172.693 3415716.881 Palmitate 8106209747 7891346321 8529157691 5468010941 78430147.83 90488582.01 84746491.2 1006557707 7528244904 6553774189 3637637880 6781585383 7745322843 6705561379 7110070687 6516808428 8166382958 7641459724 7924750036 7913697795 8547959151 8575835802 8278499232 9175093968 953005417.7 469589227.4 664967989.7 760561186 23879207079 14391115803 8551147851 7504976939 52167617.69 60028847.09 87046834.6 89651160.13 1523116720 2726640988 2551072725 2600988328 2729169777 2610007122 2444276547 2680435058 2556837396 2882350288 2690321781 2733036155 2792743271 3098753049 3034883004 2695347428 3179982707 953585099.9 861276593.1 663713328.8 960278210.8 Palmitoylcarnitine 3736874.827 2153312.14 4500384.37 35266039.57 20690108.58 1701915.532 1061065.476 1499573.1 1184923.807 Pantothenate 40097788.49 34299056.51 37668192.5 64300775.46 15817017.74 5832508.02 14701915.28 954763253.7 928185136 860004765.4 40565023.32 438947229.2 54531951.1 713644597 705011211.2 730269175 746859546.5 60865485.27 481406163.6 435940308.6 389062572.1 444163583.3 160061893.7 13669654.07 13319957.69 4423531.342 1217562.247 1005917065 833238122.2 1014905694 872089031.6 173869324.8 137700589.3 935251190.9 905690058.1 861068156.8 122250483 18190590.18 18678803.78 109737196.8 122835254.4 1674436.499 1104724.553 PEG4 154281491.7 214033694.4 365279404.5 187215327.2 101148019.7 233964414.5 195771107.8 169490710.4 431454259.6 28910947.22 56999945.3 17639589.12 335036529.2 195894760.1 183150229.1 217118551.6 29558002.61 97568724.62 32611774.24 138174447.5 236694922.7 446698978.5 256739817 262839991.5 188106588.9 559149353.8 350476092.8 236030817.6 1452874547 1378168373 17603334.14 123523096.7 179994661 150926517.3 100647336.7 1264652928 10732319.5 1792668.221 9873428.796 86445606.29 105341534.2 129573063.5 95025671.74 3385342.98 10322947.61 3022416.833 38087695.01 204475762.9 92588104.13 66634643.02 127228323.7 367064155.4 Pentadecanoic acid 480869607.8 32803151.47 167772805.8 150031402 69154928.44 168167475.3 171332170.2 154495957.5 197933157.1 166754995.7 187179238 188015873.8 194562796.6 232777559.4 175445791.2 212265048.6 65361715.29 23184427 48377996.03 40512236.42 367064516.5 330824249.2 6788924.836 51022432.98 74820143.18 62631356.91 66270244.67 70009452.08 59149500.39 51675566.38 65797871.66 50620295.07 54685311.71 58843819.62 58809092.68 56983969.12 45001596.77 Phenolphthalein 4108338.371 3308666.798 3032110.326 3972348.104 6372563.058 5021887.942 6684760.228 6124608.103 2326546.573 2389312.613 2544520.17 1496672.663 5370519.654 5332357.299 4878937.74 3194386.334 3234408.012 3012311.729 2851717.234 3203798.496 3216557.281 3160315.129 3095805.649 2137662.444 2149055.391 2056426.96 2180732.273 3849650.133 4083556.028 3972148.232 3905218.103 3110810.171 2675987.55 4005361.179 7229733.756 14340452.1 2164385.013 2608542.945 3020305.854 2438049.747 2868985.027 1978621.113 1919970.489 2057755.734 1830913.243 2009851.007 7669065.306 9245615.818 7514557.052 7138775.435 1951369.571 4395868.621 4867958.869 4137685.434 3840049.249 2390427.491 1922774.598 1863570.846 2117600.366 9335039.172 10779545.36 10877282.92 11454078.2 1724248.171 5519022.407 4979795.131 4879164.183 4928968.418 4867653.55 5383489.528 6578497.521 3721923.134 Phenolsulfonic acid 33876788.97 21230097.37 39589557.19 42269633.27 10988116.92 10370745.96 10008135.21 9848599.969 8886136.454 8608470.657 8369286.288 9462620.524 4365329.456 5728599.94 13083410.25 21307191.11 Phenylacetaldehyde 80562526.29 66319391.85 68976647.14 133479679.7 35184238.68 21788280.76 23879971.08 30211766.53 2962629.538 Phenylalanine 3300174680 1041195965 1995377569 5671163739 4690320098 4992293738 12298839848 896500911 598245155.7 194804784.2 706528368.5 151427046.9 56567860.93 1897622497 772937919.5 746171876 844122607.9 537197788.8 24959834.44 1887170335 38211100.09 2005068688 581999364.5 525369559.3 528015292.8 506398676.3 42547444.64 367802784.9 406467737.1 456178648.1 384255744.5 30445499.77 32290008.86 1779620534 762393113.9 1918957167 14156115480 9882320670 3052196978 8531375970 22106685866 19896411731 16107480.4 8951887.614 968625591.8 953407321.6 648385918.1 710434496.7 1247776744 3662144.442 17517372.59 7965253.027 745753630.7 543947939 892125225.6 667248051.6 34158458.09 349237812 742302036.3 76292048.82 217838607 381403529.2 333939767.4 310470750.8 67645105.75 157877410.4 293168907.4 229802849.9 186657776.9 Phenylethylamine 6393859.011 5665364.819 6567481.15 5546022.908 2138771.669 2815096.307 2711811.796 3113756.457 10384192.8 3881665.177 3666536.867 6926997.803 3249888.811 3433637.768 3336892.522 3486952.215 3485086.09 4318893.994 3332440.06 3983410.121 3350019.395 3031989.58 3243105.911 8910266.018 1242252.173 1470318.051 1616453.55 1970523.022 8712029.361 7802853.146 9725877.91 6483005.531 3563302.786 2735044.507 3039835.407 2238994.505 4930847.671 4878857.428 3926261.493 4746522.328 3715977.458 3174553.833 3261590.648 2686430.157 4375825.485 2898938.911 3719373.51 4260721.41 4718607.868 3229400.987 2521088.453 3276616.811 3120607.928 3265636.027 2641675.17 2906498.147 2249888.096 Phenylpyruvic acid 74335083.9 23134476.13 34376196.53 159100410.8 14279089.54 16904978.88 51690244.28 16258486.13 13890946.84 10495352.93 12839534.25 16097097.5 39497900.94 47534366.99 50127877.8 47488343.23 28737980.31 35963682.62 17247133.61 71688068.38 44588156.7 Phosphoglycolate 41270628.59 51884103.95 33113999.56 42304996.13 49564190.46 31769344.79 41246271.93 40798358.27 36886663.06 41147935.86 38649229.72 25806486.74 35351900.54 37534535.46 35498060.12 27692091.22 30020750.89 39976563.37 34593752 12516638.31 22467941.73 70062856.49 115526967.8 28330239.88 41889039.73 34676104.92 92974137.12 288200598.1 226206072.7 Phosphonoacetaldehyde 30339967.17 12608950.52 17064068.96 20218856.93 12159375.06 6906340.538 8067450.749 10888130.97 7697516.212 4957360.821 8086647.384 3151977.535 7815011.016 4045012.688 27631827.38 16286057.11 7630875.641 15733243.51 8923903.597 8848637.392 13779866.03 10490094.37 8541976.608 8765513.869 3056778.05 3628170.802 Phosphorylethanolamine 6641388.852 4372789.56 5639776.626 6587932.696 6011921.953 6560565.883 5405788.441 5703334.912 6825033.474 7019809.286 8541512.717 3617642.146 8610332.628 4121624.539 8079314.012 3483410.745 3335681.833 Piperazinecarboxylic acid 28039009.23 25213897.16 24836266.15 26102282.6 22665835.25 20440430.69 18359414.36 29047475.58 32052972.15 30391070.73 30167263.98 19178406.91 17627917.96 45144214.02 27158891.13 17162221.47 15529739.7 16739549.58 14558655.03 18936802.23 12624314.33 14865584.27 13622772.65 72941817.54 60427798.18 68577177.54 66888426.64 67355378.07 29930678.54 67019873.75 76593468.27 Pregabalin 8502273.59 6512706.201 10834657.18 78478523.26 74326913.69 73154404.16 57580120.99 60947340.82 63803022.2 60417847.78 59217570.92 60350557.89 57870013.31 56918814.18 43513307.55 56258966.99 61328349.99 54324055.34 5646004.881 6432632.189 11229155 6782072.716 16961160.35 9956505.187 9913364.996 10324707.31 10825522.66 11464891.09 10140628.87 9391510.589 48929292.63 11555267.96 11595779.75 12077804.96 11525734.46 7436768.699 11454717.25 38867414.18 ProGln 11839715.79 13102003.71 11665959.66 10664324.45 12172785.25 12621714.9 13116033.72 11398134.61 12700399.23 10699562.64 12817292.05 9841604.982 7982759.126 9144825.415 19154531.88 4443857.117 46841243.04 27955147.88 5792714.989 Proline 752725085.9 139998065.4 267081711 1254408568 10626873793 5044082155 7029113013 14589374338 181681020.3 145626623.7 44466748.55 186593912.1 5575784650 4996332593 5987225891 126152064.3 129199218.8 164353816.3 130208066.3 5046408648 5926011843 4891124766 5398285249 44921461.62 31591491.41 30895575.31 33916221.3 1501926150 1994084093 1561259120 1887529816 22808200.72 17764014.86 45439223.84 33630323.04 831334491.8 944937358.7 2526732925 1448870911 67788627.8 2739804288 1225830110 2154198628 4253375136 15976947433 14037024837 38624841.54 38423172.3 22638572.42 21732962.37 288491227.2 231763656.2 256553619.2 268683027.4 6573899229 6908877663 6828434300 6855640471 227129048.3 221317805.2 244333419.9 213612631.6 6662562785 7674443130 6479420547 7147213885 17711219.43 13018330.96 12171315.62 10124847.91 522346218 804236228.8 708955652.5 756705134 9540108.907 11672995.41 14621066.76 12191566.29 574027327.3 733890248.4 635435906.3 490273371.7 10139708.29 Prolylleucine 135309031.7 217224744.8 227967476.6 306697513.9 196414809 562294453.4 658344284.1 483530545.7 19955757.26 16322559.73 13948248.31 23554197.97 85691202.36 74622265.71 65135440.55 84124539.51 29396535.23 53437923.28 45906487.19 16145922.7 6341912.114 65276290.97 105749782.2 299219487.8 26352615.06 162196154 504146144.8 17573634.29 20731896.03 33895255.28 61103246.01 54061560.78 55421642.65 25234306.32 20915032.22 43236755.79 51896161.61 29394408.71 18025789.51 24876633.33 180159578.4 237325548.2 172395452.7 25299737.24 171139068.9 10306356.52 Propionylcarnitine 1026448851 514123056.4 617851356.2 1187172719 66527325.45 58986863.55 65272471.01 57799004.92 61186021.72 47042973.33 61051757.19 24653304.42 27233065.07 24712898.43 27565816.69 20685940.01 19714566.52 27577297.75 20713807.92 449322906 565540318.1 2534791448 103982120.4 116358092.1 112127762.2 108681201.7 118633577.4 140368753.2 107434913.8 110489576.5 14333103.55 15847773.07 16461188.37 15530090.3 17302041.39 16054440.66 18195231.44 14108116.51 3252842.539 Pyridoxal 8147686.489 5206899.558 8630733.812 9191999.904 7858035.057 7383308.99 9719173.24 7976248.559 3414754.713 3923057.785 5173778.967 4139526.916 3555941.723 3042752.391 5145568.15 3135633.167 10013452.04 7969809.435 7712371.199 11167474.19 4470003.958 4491429.073 3816204.152 4677138.718 7073815.026 5318032.907 3595858.005 3072927.191 3144559.18 3278105.614 3376438.991 12453611.68 11443402.54 10670414.81 8819303.28 11250954.1 7956089.396 22729976.87 6761156.591 3319892.764 3205495.025 3354246.263 3549184.952 3237113.966 4302749.364 5277833.552 9329275.171 11592628.56 12349624.59 7551339.123 3587571.69 3918735.999 3232081.281 4335348.672 3367168.647 2660551.565 Pyridoxine 1683040.097 65015019.55 64562614.65 67555649.62 66902409.5 67344368.57 97114259.01 63466617.82 93071957.46 69550689.36 48848782.22 137420619.4 102397385.2 67528072.11 16331641.16 57674187.72 25608848.29 14044202.48 374505885.3 700133307.8 457940846 190417873.1 204772974.8 169254694.5 219930886.9 80323249.85 15876130.05 99695272.45 271079163.6 202304411.9 260361236.7 13393248.81 166594274.5 261630831.1 140993506.2 111460383.9 Pyruvic acid 17435282.1 6510531.585 7547849.374 5523639.996 89481796.98 80881143.56 44932549.58 83782631.14 96023368.09 113085517.9 83277884.09 115607590.1 8831398.08 7807668.643 13629745.06 6735209.43 6941871.173 1019029341 829171104.3 695838705.2 1056015935 596532879.6 521609633.3 914600300.5 596716213.1 1140096304 829080862.9 707550887.8 682795222 617008326.8 678379291.7 870518446.8 737418976.3 Quindoxin 3118585.079 2903170.561 2974844.597 2364969.45 2427276.419 2627023.638 2970255.304 2861969.759 2448366.402 2057532.553 2164218.401 2241668.094 1216190.381 9147377.354 7010319.772 1969285.881 2230954.208 2081628.099 2128516.148 1748280.519 1813368.077 1959450.22 2198635.688 Retinyl acetate 1796598333 2035001184 91658601.79 38734115.24 6650625.829 7089682.491 86900701.31 98917269.15 89326283.99 5742339.934 6514564.35 5899240.552 6493075.147 624182667.4 517143900.1 560387310.9 534959498.8 687524321.4 654647162.2 709143743 1225319588 2020468767 18217772.28 17760211.19 16361378.38 19094672.09 10474277.76 17557207.48 16632944.98 15376497.27 202828977.5 191960067.6 211900045.6 Riboflavin 18926395.92 20461717.14 36429304.92 7646034.442 7563720.521 8408020.371 6311698.74 5917993.58 6503379.701 7355185.914 6195351.953 6173939.031 5693140.458 6013501.139 4467674.789 17413121.48 28713868.84 Ribosylnicotinate 4267773.811 5207613.437 4025055.757 4389895.822 6440459.12 6401790.369 6572625.425 6880333.581 6333182.69 6467326.978 7548500.197 5581565.691 6110946.086 Serine 409415243.8 21538072.58 93396608.72 713608864.1 1113947053 6667388.11 36079437.09 646548797.2 1792911066 1862939456 1925580081 685214899.5 40717699.48 12971968.66 21903184.95 39289678.73 14358153.03 84815495.48 6056578.625 10533115.48 25696240.33 11249042.63 54625444.79 38663980.66 16282537.7 19787984.34 SerSer 635946332.8 135201096.7 169468535.4 666141719.5 459246028.6 194325274.1 182670196.3 489334527.8 24609053.52 23131988.57 27149083.23 19530484.6 26591040.5 27507889.92 21536114.22 25412442.68 14376896.99 37137239.11 133477145.9 29379005.8 174387300.4 48829018.37 48434211.75 57089914.53 48700680.09 70876901.01 56543534.25 11329043.12 7529481.53 Shikimate 1956203.091 1150812.7 1214105.824 1912645.927 947240.684 1835012.742 2089950.517 996762.0929 2249953.096 1299230.461 1003270.247 1147872.173 1699477.215 2749693.18 1178086.339 1179443.483 1064652.085 1008429.177 2258885.068 Sphingosine 171350606 176088492.5 147168522.1 198901717.6 187416197.6 186289435.7 210751684.7 186874644.7 176314704.3 204850341.7 225763374.6 183794059.6 162655809.5 155562605.2 174421848.3 102714666.8 27802583.48 37222240.59 27392655.27 35234844.74 21921289.72 8140223.522 22136305.46 12296779.09 22605114.57 42198127.1 24623538 37288177.71 31270735 25972868.76 28147019.13 Stearate 4731873841 5031383784 5129677563 3432949674 55516734.24 59753230.76 55559081.87 769204514.4 2313654783 2059880210 1271297251 2124214895 2902707354 2147866170 2410394357 1876257047 2934191367 2681669632 2988792986 2847505701 3163647715 3079062288 2439979970 2660367332 667080351 372915667.1 422993729.9 552454390.6 15430623634 9674939330 4819105733 4163842531 36997566.6 48368197.46 59451343.59 59492736.73 1088110777 1362068428 1312543380 1337481976 1409240545 1119928073 1184084511 1071274022 1157489759 1436995882 1243898985 1308270468 1138218888 1302775393 1424846396 1293438611 1232326272 443259427.4 365019798.7 299413909.2 502443631.6 Succinic acid 270074360.9 425631029.5 193671164.9 246174806.1 2266967447 2165332928 1923911666 2430812532 1880879356 1852026718 1796672433 1919138593 741558282.6 753332778.4 768287324.3 767992678.7 1117014099 798608074.5 1365357962 900287440.8 13566645.42 14685768.72 138991734 130067913.5 443907270.5 505266185 17803186.14 3404735005 2840885134 3463000382 3034580484 3544196285 3312296241 3046470579 3210595687 2233372995 2277587651 2404189542 2503516961 1943004438 2234444725 1950523927 2243805524 24715288.78 20069541.52 20597721.97 54916388.94 Succinic semialdehyde 1009640645 600500186.8 639335801.7 573858607.7 654321370.5 914407453.3 674359485.5 2302900.997 620898951.4 1011272544 1122757410 844488449.8 751106479.1 2050158461 1520365631 1156677997 949562793.2 1164303144 744566631.7 1134941570 4858606.799 Succinimide 178894233.9 457268694.3 326029503.9 141778962.3 1743894730 1038603192 1527911155 889031502.1 1516229874 1447624735 1359973576 1740654315 1380189890 1994722434 1729031396 1394265336 1377054903 1943979389 1919609485 2792395646 1599584.971 2097863.754 140972753 139546799.2 2949119.489 666600908.1 711622826.6 697032222.9 583808686.8 825213042.3 748574048.3 1131644192 1128527963 2006063.662 2892545.86 640168682.2 2375695484 2007209770 2320585365 1950244.355 888091270.4 822237598.2 645656134.5 1422521831 2050646.725 8668072.947 6448254.073 3526421.845 12091060.53 Sulfinoalanine 30588235.23 65342594.39 3806443.366 13464061.6 12840090.2 11699298.01 12009346.07 Tacrine 323622502.5 303137852 318838389.4 280779732.4 147517411.2 186495759.5 209166399.5 201674386.9 222770357.8 164767557.6 146275153.6 153579056.3 53869438.22 52575689.24 71974381.7 53093275.32 356432763.2 596389678.9 525684004.8 226554774.5 325140562.5 210113370.4 224338726.4 215984560.3 282770580.9 228636952.1 183207377.2 147901483 87764186.1 254013373.9 91100413.22 Taurine 603722811.8 311106020.8 300285595 848174593 377123352.3 279021681.5 298008818 412945584.7 17794811.57 13943160.86 21749463.23 4511392.261 1336873312 1414982227 681129528.5 1390132666 545717193.9 521634289.2 535240598.9 1169683017 1141247406 1268273300 1152522125 580236518.1 540483724.8 551658316.6 619653359.1 2287618557 3157038185 3307618717 3177139274 2350742173 2559552890 2419672048 2556163295 2790687570 2918463396 3605830083 3103290184 2251410299 1476723474 1731844830 1580842547 7238665.57 8546525.291 6467038.331 4964577.601 11428796.2 366124124.7 359689874.2 929500722.9 686016258.6 307282666.6 297150866.4 331391345.8 177228087 11032322.42 12772824.33 14317768.88 12889402.76 8231005.176 1443550065 1532707110 1541839163 1514203433 568384247 546995619.5 539539596.2 490673244.1 1441920025 989457676 1430930912 1326711922 563813863.3 690179614.5 530546279.1 538692595.3 2412791462 2044563028 1925669407 3042592704 1689828078 1676381705 977213760 1493591562 2786679703 2779058410 1297562560 1924100851 1470603555 1317758825 1354747777 1391060938 13541551.5 11213856.11 11518950.79 7262411.591 6247593.031 4902129.649 6296836.361 Thienylalanine 29586343.12 23595143.81 20916852.46 26075910.35 29390510.36 13903421.64 15455281.53 18757319.81 18389107.8 19998483.88 19467048.05 16080714.75 18648015.23 7941838.463 16292537.75 7657272.282 8849496.733 84685376.61 76963519.42 149019359.1 280592619.2 37038998.35 14238804.88 12892540.29 12375770.43 12501814.5 10010697.8 10844562.7 11434654.86 11771806.81 9981036.323 6689811.007 8283006.822 5116979.21 Thiomorpholinecarboxylic acid 597415016.8 678869150.2 727948820 474786758.4 305175731.5 258617290.7 265796360.7 258541682.6 233169934.3 222921462.3 248274412.6 180876770.3 205667307.3 172137049.5 211225454.5 102643025.1 102331412.3 208270201 107042039.3 290011322.2 671573114.2 142009050.4 119565341.8 140091403.7 155330763 173185660.1 98327442.25 143710716.3 162173698.6 38159616.12 52433556.69 47125086.09 48872229.49 35689943.94 38265514.04 36282331.26 30102107.56 Threonine 559712742.6 35976342.69 100462783.2 657733200.4 1425533479 61667673.83 221795898.5 1280370688 61444650.65 54282926.87 69620946.11 399403755.4 348579885.4 678807905.5 19966868.39 19925286.17 38300065.55 16519515.96 450433768.1 489946742 273168546.7 391296056.5 21640504.27 225518841.8 20186477.35 10751702.9 1493168557 1815401747 5199953850 4645989280 176228941.9 190838393.8 193467987.9 229083046 1717787022 2184321628 1964726740 2072015821 170720849.7 192074620.8 195099817.1 167703442.2 2013223778 2407545127 1884646750 1832456889 34095973.66 9021269.762 13247480.38 7593537.785 82991481.68 147879454 132355863.9 151400092.7 9817284.056 17462801.65 8735822.567 111742434.7 114081279 85542600.18 Threonine3phosphate 29997087.7 124927628.9 85543828.38 50045642.14 36758088.62 116595522 107810444.4 47387396.09 104901003.9 126643117.8 57719349.06 117646252.7 89671013.01 89302221.67 115390137 122916782 115794323.5 105883490.5 128700387.9 89440707.57 107798813.3 95001493.37 104515782.9 21114724.33 29239964.89 26148661.19 28914261.18 21339590.77 26914481.12 23933181.96 26039122.58 21887391.29 22014380.16 42226746.15 32530873.73 19393861.99 52148629.9 30049563.08 25599225.64 50599238.42 5281714.945 27733731.3 41098448.12 47159493.88 130608994.9 151454179.8 66079723.28 125433438.5 99177961.04 110945448.6 96934072.01 154183106 84145382.62 67002074.68 143849964.3 119454701.4 89505655.39 112621817.8 103842803.6 55567649.84 64613400.87 61216156.24 52351021.7 51584628.21 52149616.02 50208949.2 59388641.82 50642590.18 14560392.76 52604799.63 54797854.21 33331612.78 54296716.76 55070243.87 Thymine 21520871.61 20737638.7 23627064.55 23719168.36 13891873.57 36930425.09 9275722.623 40300276.22 20691471.69 7925103.627 16418513.41 18981923.3 9377595.964 9612009.515 13396847.29 1005165.133 Traumatin 9269265.36 29612002.73 4798321.417 2267570.782 3239019.272 3379634.515 5089132.216 5183047.871 3566175.935 3573749.595 5014392.291 3196394.904 5252008.229 5063523.926 2356898.554 4682446.692 2983668.331 47833605.39 2279930.7 6956560.648 7892833.57 3652221.871 3691808.826 4604223.61 5217545.096 5398945.231 3831498.369 5099143.226 3746655.324 4497208.327 5433716.895 4526849.864 3559352.534 3081301.214 2846337.939 5143600.97 3307006.507 3143817.046 4594885.061 Trehalose 4615571.74 5383269.88 2875104.151 5606970.845 9227028.964 5329971.847 8307308.752 4869450.799 6355633.966 14174722.28 7247087.902 8159063.606 Tretinoin 64007010.05 10074533 7064383.443 3045165.055 3770121.429 275504201.6 1052511676 259401324.4 41896129.74 33555298.65 29262553.53 24634533.76 139419060.5 353424216.7 517295247.8 6902006.602 9879800.983 6000849.168 18902340.32 51564984.02 40647068.02 79748884.67 86915855.1 3821707.72 4747640.086 4414124.532 37065030.42 32317838.08 19756022.58 23934908.85 59801046.92 22142877.97 151263681.2 65708044.06 89239570.77 42614260.09 121601444.7 111274762.4 7704279.06 32553210.33 62167643.02 Tridecylic acid 34729425.38 49103728.36 62241467.55 10637975.26 26313892.58 22747830.38 11333167.2 23963604.03 25688673.9 23327206.78 22398104.64 30517540.09 25152000.7 10472086.87 6142693.053 10012209.51 36615250.69 34513807.59 34797382.46 39048181.84 14879910.17 13671493.09 16380513.22 20539589.46 14855222.5 8601924.959 9230101.234 11797070.17 12487512.15 12015229.69 18993524.09 12272328.34 Trigonelline 11598939.98 15227567.75 7852285.699 4519139.198 8306308.814 4434798.348 7712611.824 8082260.232 18518089.8 20991880.08 19395418.35 20594574.55 15266377.09 15722169.53 23667023.93 16890708.06 3499343.825 8697065.477 7178283.296 7699695.677 6902288.995 6925083.168 7907442.347 11371223.34 7699988.935 17585571.91 22053102.82 23854430.29 23617277.19 22835352.55 25006777.87 25398026.08 24426322.05 23159163.03 7254527.625 Trimethyl-lysine 77368100.32 60294364.71 120812927 472108682.9 2135530854 239613041.3 389970972.7 81186427.14 39896609.82 82855613.89 9691648.205 144631119.8 47550575.45 152579446.5 1676469984 Tryptophan 19649988.74 117652533.2 6706914.533 5300185.236 4902511.014 4962522.988 4409632.666 955390284.1 747231338.2 2080688058 22860634.05 4377616.972 15111547.62 13969912.56 3126542.194 8214157.573 Tyrosine 43929474.29 11639457.14 679561835.4 12372401.21 11050371.56 17190862.59 7383794.829 9718733.844 6062086.17 8559135.204 1967674666 2153643134 4803498697 4624157471 64067318.86 33825963.96 6753152.266 43075142.2 Tyrosyltyrosine 3283408.176 2426916.226 23198135.64 24388175.59 19813248.83 22163854.86 19457371.29 27693324.49 22528394.81 16647146.5 27148363.75 22914101.99 23084906.63 24675928.04 21805906.68 17720079.15 19525648.89 20036532.99 18977971.26 33644512.18 30828931.7 28074667.42 30434177.28 25796802.73 26578953.71 24935522.22 26610818.55 15554240.55 17085836.13 16347859.39 16266974.45 9629453.635 9228666.168 9727367.579 12212604.35 1992589.542 25423212.15 7757709.617 16475334.11 3121297.646 22327987.4 17309676.79 19954538.76 21515764.85 16963315.71 16761872.74 17157386.85 14044396.17 13949222.02 10913556.25 10257582.13 10096710.75 11710073.55 9166880.974 14174722.28 9202183.235 9054812.759 12169604.4 12486883.99 13692191.52 14761154.95 19489970.89 17786500.52 11121191.04 UDP 37942041.48 21317178.55 23106992.74 19471775.34 32699690.14 25857018.74 54732744.78 22648759.13 18862522.49 20241913.62 20276184.92 21553676.99 13393766.49 22400456.21 20669725.53 24131982.09 10740483.54 27059606.71 12461846.57 11161635.94 UDPacetylglucosamine 57757493.07 5425877.281 42306121.96 14331447.49 7863993.456 15924539 9182851.166 8634759.853 7520016.986 7116361.714 5513635.26 3558042276 2887154418 2805843727 2112631486 2947055059 767280507.4 21243382.99 507239714 354749668.3 463554646.2 99255695.75 UMP 110782351.8 74714997.49 39521078.83 195581740.2 115470087.2 Undecylbenzenesulfonic acid 193337673.9 165713061.5 198537471.7 237786368.2 40360981.35 66177316.79 51206015.53 38609891.54 50017764.58 93642570.3 58470549.47 70481007.82 106887433.1 93505653.25 85330908.13 92087682.01 145875502.1 172815213 131001082.9 140416113 39351154.34 17693155.86 25747880.74 23951296.97 341707600.6 282215252.5 111770911.2 109617180.2 61487299.87 30873318.43 32527146.38 26468489.08 28698642.61 48615945.74 49735364.83 53341449.62 52757471.08 85596914.73 78976768.8 72181096.13 76243285.75 48091771.66 55636376.64 31411028.41 Undecylic acid 2101017.345 11702752.3 373519087.2 387286863.9 163443765 354277622.7 571719565.1 547394416.1 558672434.1 553697580 18901232.22 8526433.92 15605946.82 14654282.23 376538153.8 478127959.5 482585103.2 16977561.99 97088389.37 11538133.46 14943563.25 11748669.8 7292341.628 Uracil 137980879.1 81786432.86 95118742.65 268149695.6 11322409.56 17686899.31 29987795.29 28883524.74 6594227.928 848264153.8 832094692.5 16556886.45 845764315.9 870237251.5 882171986.2 876378651.4 907189941.1 54542666.77 47823272.76 922841737.4 1859687116 878958215.4 2769536340 9514440.782 1055879960 832920298.7 633648771 972589493.4 10125597.85 3514438.26 7456598.719 55492052.61 84702812.91 5077048.985 21008938.48 20867065.63 18051851.92 18895318.97 189489243.9 171805949.6 191980582.5 158030826.9 161018454.2 184605360.6 162832018.7 138973118.8 632095967.9 604011018 489573937.1 788491112.4 35869049.34 131778786.7 176922100.6 171922849.4 135695047.6 9915672.983 10920650.6 11457489.98 17456614.46 12532767.53 Uric acid 10385813.47 9443943.012 10155289.83 10076400.44 7805670.75 8592782.6 7255657.51 9096279.48 796282.7298 822605.7765 1537457.752 1017529.778 3447313.401 4248190.346 2714077.783 1928395.341 3581934.944 2012520.258 Uridine 601686295 533344569.4 197135043.1 548703746.1 386197299.1 461220890 535500388.9 385458056.9 306888476.7 247282512.1 252830472.2 271779151.5 224861502.1 207468478 247095640.2 242424906.6 7863274.81 9041902.749 426395739.4 433722611.3 690243904.6 10251044.88 10717319.73 12021312.23 365922900.2 343766384.3 268855604.7 380783698 11798951.67 13310819.14 147368107.8 166388226.8 145826222.5 177281734.2 137538493.9 143023019.7 170072020.1 167446292.9 7999119.616 Uridinediphosphogalactose 837214225 674845106.5 491007828.9 682506362.9 476062275.9 295468479.5 813552250 398949693.5 45563990.24 135551614 29278330.72 198494136.2 350806027.6 Valeric acid 16957513.39 33735418.17 18286811.13 43834699.05 6596957.268 41883286.3 37925491.26 17425342.62 32807822.59 10573101.16 47449163.34 24725654.84 28155325.49 27914932.53 22904238.09 14106897.28 27857631.57 29086317.93 11115076.96 31471921.64 21667363.98 26510687.41 5482850.074 14926835.6 14843949.17 47812033.07 22840259.03 3490895.099 2931362.242 3264385.742 41346559.51 1957149.624 13789554.06 16593283.73 21181819.24 14430989.66 10812397.49 12042769.62 7384301.203 21603166.71 14396771.3 52318141.9 Valine 1785639079 634616883.6 1092450432 3011705345 5453048826 2779632604 2879348571 7099084537 96638530.8 147082619.5 387894256.7 320472650.8 69034885.45 362240330.2 2420006989 2337765939 3013050075 233885416.5 270006562.7 328378674.3 270745441.2 2491776873 2496838918 2290126486 2119750303 131610398.5 98136510.73 88791196.14 105601357 2497894430 1447884267 2314503561 2009514831 45881966.79 49232749.03 152083152.6 95969115.27 1445925281 1414766676 2094546788 1485536096 72496010.53 45962955.24 149293451.3 581768209.2 6810824312 5399418821 902615045.4 1711051685 10564207918 7521290311 166520719.2 126873900.2 562677687.2 478339794.9 500322078.7 449736329.7 2924008293 2939253856 2770307881 2873663682 392544629.9 419034235 484325210.2 397594942.4 2823207032 3475533288 2755377935 2849999469 75798256.64 53683894.9 53131810.28 54834594.09 424291214.3 421649866 328526208.5 371617824.3 42616908.52 39496504.84 60578893.39 51044799.27 498993984.8 391211841.2 368425023.6 485714475.8 10874895.19 25226196.24 18632587.02 Vinylpyridine 213525629.8 312230196 266724629.9 179989969.4 188257772.8 205720560.6 241154299.3 243413549.5 254974037.5 199478191.1 190186441.1 182683383.8 201323770 80481950.23 74867836.06 91896705.12 83068131.02 383937612.9 415760075.2 365707663 372283101.6 324945788.3 208448242.8 294731450.6 216633829.2 226172584.7 196879696.8 223063818.7 207896775.3 203445380.5 199674376.7 114350773.9 193505060.3 100004546.4 Xanthosine 27556638.05 24444610.98 11687835.04 28695083.74 14558355.03 12924703.89 14032799.88 20548387.1 21047097.01 26123260.81 20167760.84 12360081.02 12513254.82 11706519.95 13460124.7 5895221.149 5198633.895 4361793.007 6672091.167 6377683.498 5454670.623 6163143.121 4923049.429 7438051.074 7308618.849 2499574.569 2285706.615 2317745.086 2144256.123 6004364.493 4341167.787 4307854.727 6432141.423 2131810.893 2236515.438 2201555.174 2412044.223 2082705.343 2167764.909 2884934.947 2259414.664 1167436.335 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name MW RT PredComp mzVault Metabolika CS AMRT 1792886 339.3494 2.0 Full match No results No results Full match No results 1794967 285.2300 2.2 Full match No results No results Full match No results 2-Oxoglutaric acid 146.0215 4.3 Full match Full match Full match Full match No results Acetamidobutanoate 145.0736 3.6 Full match Full match Partial match Partial match Full match Acetylaminoadipic acid 203.0790 9.4 Full match No results No results Full match No results Acetylarginine 216.1219 16.3 Full match Full match No results Full match No results Acetylasparagine 174.0639 4.1 Full match Partial match No results Partial match Full match Acetylaspartic acid 175.0480 4.8 Full match Full match No results Full match No results Acetylaspartylglutamic acid 304.0905 9.4 Full match Full match No results Full match No results Acetyl-Carnitine 203.1153 13.8 Full match Partial match No results Partial match Full match Acetylcholine 145.1100 16.6 Full match Full match No results Partial match No results Acetylglucosamine 221.0895 11.1 Full match Partial match Partial match Partial match Full match Acetylglutamic acid 189.0638 6.0 Full match Full match Full match Full match Full match Acetylglycine 117.0427 3.7 Full match Partial match Partial match Partial match Full match Acetylmethoxykynurenamine 236.1151 3.7 Full match No results Full match Not the top hit No results Aconitic acid 174.0162 6.6 Full match Full match Not the top hit Not the top hit Full match Acridine 179.0730 2.2 Full match No results No results Full match No results Adenine 135.0541 10.8 Full match Full match Full match Partial match Full match Adenosine 267.0959 6.8 Full match Full match Full match Not the top hit Full match ADP 427.0289 14.6 Full match Full match Full match Full match No results Alanine 89.0479 14.8 Full match Full match Partial match Partial match Full match Alanylproline 186.1001 11.4 Full match Full match No results Full match No results Allopurinol 136.0381 9.5 Full match Partial match Partial match Not the top hit No results Aminoadipate 161.0686 11.8 Full match Partial match Partial match Partial match Full match Aminohydroxymethylpentanedioic acid 177.0636 4.3 Full match No results No results Full match No results Aminolevulinic acid 131.0580 3.6 Full match Not the top hit Not the top hit Full match Full match Aminopyridine 94.0534 2.6 Full match No results No results Full match No results Aminoundecanoic acid 201.1723 6.6 Full match No results No results Full match No results AMP 347.0628 11.7 Full match Full match Full match Full match No results Ampalex 241.1207 2.4 Full match No results No results Full match No results Androstanediol 292.2398 1.6 Full match No results No results Full match No results APM 175.0840 4.1 Full match No results No results Full match No results Arabitol 152.0685 10.0 Full match Full match Full match Full match No results Arachidic acid 312.3025 1.6 Full match Full match No results Full match No results Arachidonic acid 304.2398 1.7 Full match Full match Partial match Full match No results ArgAla 245.1482 20.4 Full match No results No results Full match No results Arginine 174.1113 26.0 Full match Partial match Partial match Partial match Full match Arginylhydroxyproline 287.1587 16.4 Full match No results No results Full match No results Asparagine 132.0533 15.3 Full match Full match Full match Full match Full match Aspartate 133.0374 11.2 Full match Partial match Partial match Partial match Full match Aspartylproline 230.0899 12.7 Full match No results No results Full match No results ATP 506.9953 15.1 Full match Full match Full match Full match No results Benzaldehyde 106.0419 10.4 Full match No results Full match Full match No results Benzisothiazolone 151.0092 2.3 Full match No results No results Full match No results Benzofluorenylacetic acid 274.0993 2.1 Full match No results No results Full match No results Benzoxazolone 135.0322 2.3 Full match No results No results Full match No results Betaine 117.0789 12.1 Full match Partial match Partial match Partial match Full match cADPR 541.0604 14.1 Full match Partial match No results Partial match Full match Caprylic acid 144.1149 2.0 Full match Full match No results Partial match No results Capuride 186.1364 2.3 Full match No results No results Full match No results Carbobenzyloxyglycine 209.0688 2.4 Full match No results No results Full match No results Carnitine 161.1048 15.5 Full match Full match No results Full match No results Ceramide1 537.5110 2.1 Full match No results No results Full match No results Ceramide2 563.5265 2.0 Full match No results No results Full match No results Cholestenone 384.3384 2.0 Full match Full match Not the top hit Full match No results Cholinesulfate 183.0561 6.0 Full match No results No results Full match No results Cinnamic acid 148.0520 10.1 Full match Full match Full match Full match No results Coumaric acid 164.0471 12.5 Full match Full match Not the top hit Full match No results Creatine 131.0691 15.3 Full match Full match No results Full match Full match Creatinine 113.0590 6.7 Full match Full match No results Partial match No results Cresylsulfate 188.0142 1.4 Full match No results No results Full match No results Crotonate 86.0369 16.3 Full match No results Full match Not the top hit No results Cyclohexanediol 116.0839 2.0 Full match No results No results Full match No results Cycloserine 102.0432 15.1 Full match No results No results Full match No results Cysteinesulfinic acid 153.0096 3.9 Full match Full match Full match Full match No results Cytidine 243.0850 10.5 Full match Full match Full match Full match Full match Cytosine 111.0434 7.9 Full match Full match Full match Partial match Full match Decanoic acid 172.1463 1.8 Full match No results No results Full match No results Deoxycytidine 227.0901 8.6 Full match No results Partial match Partial match Full match Deoxyinosine 252.0856 6.9 Full match Full match Full match Partial match No results Desoxyadenosine 251.1012 5.0 Full match Partial match Partial match Partial match Full match Desthiobiotin 214.1313 11.5 Full match Full match Partial match Not the top hit Full match Diaminopimelic acid 190.0950 15.5 Full match Full match Full match Full match No results Diethanolamine 105.0792 22.7 Full match No results No results Full match No results Diethylene glycol 106.0630 2.4 Full match No results No results Full match No results Dihydrothymine 128.0585 15.9 Full match Full match No results Full match No results Dihydroxyoctadecadienhexadecanamide 535.4954 2.0 Full match No results No results Full match No results Dimethyldihydroimidazole 98.0847 24.9 Full match No results No results Full match No results Dimethylpyrrole 95.0739 12.6 Full match No results No results Full match No results Dinotefuran 202.1062 16.5 Full match No results No results Full match No results Dodecylbenzenesulfonic acid 326.1913 1.4 Full match No results No results Full match No results Eicosapentaenoic acid 302.2241 1.6 Full match Full match Partial match Full match No results Epoxyicosatrienoic acid 320.2344 2.1 Full match Full match No results Not the top hit No results Erythritol 122.0579 7.2 Full match No results No results Full match No results Erythritol4phosphate 202.0248 2.2 Full match No results No results Full match No results Erythrose 120.0423 4.5 Full match No results No results Full match No results Ethoxyethoxyethanol 134.0941 2.2 Full match No results No results Full match No results FAD 785.1568 9.6 Full match No results Full match Full match Full match Flumazenil 135.0144 1.4 Full match No results No results Full match No results Fumaric acid 116.0110 3.9 Full match Full match Full match Full match No results GABA 103.0636 16.0 Full match Partial match Partial match Partial match Full match Galactitol 182.0789 12.6 Full match Full match Full match Full match Full match Glutamate 147.0529 11.0 Full match Partial match Partial match Partial match Full match Glutamine 146.0688 15.6 Full match Partial match Partial match Partial match Full match Glutamylaminobutanal 216.1106 10.5 Full match No results Full match Not the top hit No results Glutathione 307.0834 11.2 Full match Full match Full match Full match No results GlyArg 231.1326 21.4 Full match No results No results Full match No results Glycerate 106.0266 4.4 Full match No results Full match Full match No results Glycero3phosphomyoinositol 334.0661 12.7 Full match No results No results Full match No results Glycerol 92.0474 4.7 Full match No results Full match Full match Full match Glycerol3Phosphate 172.0137 16.8 Full match Partial match Partial match Partial match Full match Glycerophosphoglycerol 246.0495 5.3 Full match No results No results Full match No results Glycerophosphopalmitoylethanolamine 453.2851 6.1 Full match Full match No results Partial match No results Glycerophosphorylethanolamine 215.0556 16.4 Full match No results No results Full match No results Glycine 75.0319 15.7 Full match Full match Full match Full match No results Glycylglycylglycine 189.0746 11.3 Full match No results No results Full match No results Guanidinobutyric acid 145.0849 18.8 Full match Full match No results Full match No results Guanine 151.0491 10.1 Full match Full match Full match Full match Full match Guanosine 283.0911 11.6 Full match Full match Full match Partial match Full match Henicosanedione 324.3020 1.6 Full match No results No results Full match No results Heptanoic acid 130.0995 1.9 Full match No results No results Full match No results Heptatriene 94.0786 2.2 Full match No results No results Full match No results Hexadecanal 240.2453 2.1 Full match No results No results Full match No results Hexadecasphinganine 273.2658 4.2 Full match No results No results Full match No results Hexanoic acid 116.0838 2.2 Full match Full match No results Partial match No results Hexylbenzene 162.1405 2.1 Full match No results No results Full match No results Hippurate 179.0578 2.6 Full match No results Partial match Partial match Full match Homocysteine 135.0353 15.2 Full match No results Full match Full match No results Homocysteinethiolactone 117.0248 7.2 Full match No results No results Full match No results Hydroxybutyric acid 104.0474 4.5 Full match Full match No results Partial match No results Hydroxybutyrylcarnitine 247.1415 14.2 Full match No results No results Full match No results Hydroxyglutaric acid 148.0372 5.1 Full match Full match Partial match Full match No results Hydroxyhippuric acid 195.0530 6.7 Full match Full match Partial match Partial match No results Hydroxyindolinone 149.0475 2.3 Full match No results Full match Partial match No results Hydroxymethylbutanoyloxytrimethylammoniobutanoate 261.1571 13.5 Full match No results No results Full match No results Hydroxymethyldihydrothiazoloindolecarbaldehyde 233.0509 2.1 Full match No results No results Full match No results Hydroxyoctadecadienoic acid 296.2347 1.7 Full match No results No results Full match No results Hydroxyphenylindolethylacrylamide 306.1360 2.2 Full match No results No results Full match No results Hydroxypicolinic acid 139.0271 2.1 Full match Full match Partial match Not the top hit No results Hydroxypropylstearate 342.3133 2.1 Full match No results No results Full match No results Hydroxytetramethylhexadecyltrimethylbenzoquinone 446.3752 2.0 Full match No results No results Full match No results Hydroxytrihydroxyoctadecanylpentadecanimidic acid 557.5014 2.0 Full match No results No results Full match No results Hydroxytryptophan 220.0844 11.7 Full match Full match No results Full match No results Hypoxanthine 136.0381 5.9 Full match Full match Partial match Partial match Full match Imidazolelactic acid 156.0532 11.3 Full match Full match No results Not the top hit No results Imidazolemethanol 98.0481 6.0 Full match No results No results Full match No results iminoquinoline 144.0684 2.7 Full match No results No results Full match No results Indole 117.0579 10.4 Full match Full match Full match Full match No results Indoleacetaldehyde 159.0680 2.5 Full match No results No results Partial match Full match Indoleacetate 175.0628 2.3 Full match Full match Full match Full match No results Inosine 268.0801 9.1 Full match Full match Full match Partial match No results Inositol 180.0633 17.0 Full match Invalid mass Not the top hit Not the top hit Full match Isoleucine 131.0944 11.6 Full match Not the top hit Full match Not the top hit Full match Kainic Acid 213.0997 11.2 Full match No results No results Full match No results Kynurenine 208.0845 11.0 Full match Full match Full match Full match No results Lacosamide 250.1312 13.3 Full match No results No results Full match No results Lactic acid 90.0318 4.5 Full match Full match Not the top hit Full match No results Laurate 200.1776 1.7 Full match No results Full match Full match No results Laurilsulfate 266.1550 1.3 Full match No results No results Full match No results Leucine 131.0945 10.9 Full match Full match Partial match Partial match Full match Leucineamide 130.1104 27.1 Full match Full match No results Partial match No results LeuLeu 244.1781 2.6 Full match No results No results Full match No results LeuVal 230.1624 6.3 Full match No results No results Full match No results Linalyl propanoate 210.1614 2.2 Full match No results No results Full match No results Linalylbutyrate 224.1777 1.6 Full match No results No results Full match No results Linoleamide 279.2554 2.4 Full match No results No results Full match No results Linoleic acid 280.2399 2.4 Full match Full match Full match Full match No results Linoleoylethanolamide 323.2814 2.1 Full match No results No results Full match No results L-Threonic acid 136.0372 8.1 Full match Full match No results Full match No results Lysophosphatidylinositol 620.2958 4.2 Full match No results No results Full match No results Malonic acid 104.0111 6.7 Full match Full match Not the top hit Full match No results Menthylisovalerate 240.2089 1.7 Full match No results No results Partial match No results Mercaptobenzothiazole 166.9863 1.7 Full match No results No results Full match No results Methionine 149.0508 11.5 Full match Full match Full match Full match Full match Methionine sulfoxide 165.0456 14.3 Full match Full match Partial match Full match No results Methocarbamol 241.0943 2.6 Full match No results No results Full match No results Methoxybipyrrolecarbaldehyde 190.0738 2.5 Full match No results No results Full match No results methoxyvinylcarboline 224.0944 2.3 Full match No results No results Full match No results Methyladenine 149.0699 5.7 Full match Full match No results Not the top hit No results Methylazabicyclooctylmethylbutenoate 223.1567 2.2 Full match No results No results Full match No results Methylbutyrylcarnitine 245.1619 11.2 Full match No results No results Full match No results Methylcyanopentadecanoate 281.2348 2.1 Full match No results No results Full match No results Methyldimethyldihydroindenylimidazolecarboxylate 270.1361 2.1 Full match No results No results Full match No results Methylguanosine 297.1067 8.3 Full match Full match No results Partial match No results Methylhydroxypalmitate 286.2506 1.4 Full match No results No results Full match No results Methyllinoleate 294.2557 1.5 Full match No results No results Full match No results Methyloxobutanoate 116.0474 1.4 Full match No results Full match Partial match No results Methylsulfolene 132.0242 11.5 Full match No results No results Full match No results Methyltetraoxahexadecane 248.1981 2.1 Full match No results No results Full match No results Methylthiazolidine 103.0459 11.5 Full match No results No results Full match No results Methylthioadenosine 297.0887 3.7 Full match Partial match Partial match Partial match Full match Metominostrobin 284.1153 2.2 Full match No results No results Full match No results Metyrapone 226.1100 2.3 Full match No results No results Full match No results myristic acid 228.2089 1.7 Full match No results No results Full match No results Myristoleic acid 226.1933 1.7 Full match No results No results Full match No results Myristylsulfate 294.1864 1.3 Full match No results No results Full match No results Nicotinamide 122.0479 9.3 Full match Full match Full match Partial match No results Nicotine 162.1153 4.1 Full match Full match Full match Full match Full match Nicotinic acid 123.0319 4.1 Full match Full match Full match Full match No results Nitrosomorpholine 116.0587 16.0 Full match No results No results Full match No results Nonanoic acid 158.1306 1.8 Full match Full match No results Full match No results Octadecanal 268.2765 2.1 Full match No results No results Partial match No results Octadecenal 266.2609 2.1 Full match No results No results Not the top hit No results Oleamide 281.2711 2.1 Full match Full match No results Partial match No results Oleate 282.2555 1.6 Full match No results Full match Full match No results Oleoylethanolamide 325.2971 2.1 Full match No results No results Full match No results Oleoylglycine 339.2774 1.4 Full match No results No results Full match No results Orotic acid 156.0171 4.2 Full match Full match Full match Full match No results O-Succinyl-L-homoserine 219.0736 4.2 Full match No results Full match Full match No results Oxodecanoylcysteamine 245.1445 1.6 Full match No results No results Full match No results Oxononanoate 172.1099 2.1 Full match No results Full match Not the top hit No results Oxophosphonobutanoate 181.9981 12.8 Full match No results No results Full match No results Oxopyridinebutanal 163.0629 2.2 Full match No results No results Full match No results Oxotremorine 206.1414 2.1 Full match No results No results Full match No results Palmitate 256.2400 1.6 Full match No results Full match Full match No results Palmitoylcarnitine 399.3339 2.8 Full match Full match No results Full match No results Pantothenate 219.1103 7.1 Full match Full match Partial match Partial match Full match PEG4 194.1148 2.9 Full match No results No results Full match No results Pentadecanoic acid 242.2246 1.7 Full match No results No results Full match No results Phenolphthalein 318.0886 2.2 Full match No results No results Full match No results Phenolsulfonic acid 173.9985 1.4 Full match No results No results Full match No results Phenylacetaldehyde 120.0575 2.1 Full match No results Full match Not the top hit No results Phenylalanine 165.0786 10.4 Full match Full match Full match Full match Full match Phenylethylamine 121.0891 2.4 Full match No results Full match Full match No results Phenylpyruvic acid 164.0474 2.1 Full match Full match Full match Partial match No results Phosphoglycolate 155.9824 13.0 Full match No results No results Full match No results Phosphonoacetaldehyde 123.9922 16.7 Full match No results No results Full match No results Phosphorylethanolamine 141.0192 12.3 Full match Full match Full match Full match No results Piperazinecarboxylic acid 130.0741 16.0 Full match No results No results Full match No results Pregabalin 159.1257 17.0 Full match No results No results Full match No results ProGln 243.1215 12.7 Full match No results No results Full match No results Proline 115.0633 13.4 Full match Full match Full match Full match Full match Prolylleucine 228.1471 13.6 Full match Full match No results Partial match No results Propionylcarnitine 217.1307 12.6 Full match Full match No results Full match No results Pyridoxal 167.0578 4.0 Full match Full match Full match Full match No results Pyridoxine 169.0734 4.0 Full match Full match Full match Not the top hit Full match Pyruvic acid 88.0162 1.7 Full match Full match Full match Full match No results Quindoxin 162.0425 2.7 Full match No results No results Full match No results Retinyl acetate 328.2400 1.6 Full match No results No results Full match No results Riboflavin 376.1375 9.0 Full match No results Full match Full match Full match Ribosylnicotinate 255.0738 14.3 Full match No results No results Full match No results Serine 105.0427 15.7 Full match Partial match Partial match Partial match Full match SerSer 192.0743 8.8 Full match No results No results Full match No results Shikimate 174.0527 6.5 Full match No results Full match Full match Full match Sphingosine 299.2817 6.0 Full match Full match Partial match Full match No results Stearate 284.2710 1.6 Full match No results Full match Full match No results Succinic acid 118.0267 4.5 Full match Not the top hit Full match Full match Full match Succinic semialdehyde 102.0317 3.9 Full match Full match Full match Not the top hit No results Succinimide 99.0320 3.8 Full match No results No results Full match No results Sulfinoalanine 153.0096 9.2 Full match Partial match Partial match Partial match Full match Tacrine 198.1151 2.2 Full match No results No results Full match No results Taurine 125.0146 10.2 Full match Full match Full match Full match Full match Thienylalanine 171.0354 2.2 Full match No results No results Full match No results Thiomorpholinecarboxylic acid 147.0351 16.0 Full match No results No results Full match No results Threonine 119.0582 14.3 Full match Full match Full match Full match Full match Threonine3phosphate 199.0243 12.5 Full match No results Full match Full match No results Thymine 126.0429 3.7 Full match Partial match Full match Full match Full match Traumatin 212.1408 2.0 Full match No results Full match Full match No results Trehalose 342.1159 17.3 Full match Partial match Partial match Partial match Full match Tretinoin 300.2086 1.8 Full match Full match Partial match Full match No results Tridecylic acid 214.1932 1.7 Full match Full match No results Not the top hit No results Trigonelline 137.0475 12.6 Full match Full match Partial match Not the top hit Full match Trimethyl-lysine 188.1521 27.0 Full match Partial match Partial match Partial match Full match Tryptophan 204.0894 10.8 Full match Partial match Partial match Partial match Full match Tyrosine 181.0736 12.4 Full match Full match Full match Full match No results Tyrosyltyrosine 344.1363 2.3 Full match No results No results Full match No results UDP 404.0020 14.2 Full match Full match Full match Partial match No results UDPacetylglucosamine 607.0809 9.5 Full match Full match Full match Full match No results UMP 324.0356 11.6 Full match Full match Full match Partial match No results Undecylbenzenesulfonic acid 312.1759 1.3 Full match No results No results Full match No results Undecylic acid 268.2401 1.7 Full match No results No results Not the top hit No results Uracil 112.0273 3.9 Full match Full match Full match Full match Full match Uric acid 168.0283 4.2 Full match Full match Full match Full match No results Uridine 244.0693 6.3 Full match Full match Full match Full match Full match Uridinediphosphogalactose 566.0545 10.3 Full match Full match Not the top hit Full match No results Valeric acid 102.0682 2.4 Full match Full match No results Partial match No results Valine 117.0789 13.0 Full match Full match Not the top hit Full match Full match Vinylpyridine 105.0580 2.2 Full match No results No results Full match No results Xanthosine 284.0753 5.5 Full match Full match Full match Full match No results METABOLITES_END #END