#METABOLOMICS WORKBENCH TruxalCarlson_20200324_121313 DATATRACK_ID:1951 STUDY_ID:ST001393 ANALYSIS_ID:AN002326 PROJECT_ID:PR000956 VERSION 1 CREATED_ON June 4, 2020, 4:06 pm #PROJECT PR:PROJECT_TITLE Sea-ice diatom compatible solute shifts PR:PROJECT_TYPE Marine Metabolomics PR:PROJECT_SUMMARY Sea-ice algae provide an important source of primary production in polar PR:PROJECT_SUMMARY regions, yet we have limited understanding of their responses to the seasonal PR:PROJECT_SUMMARY cycling of temperature and salinity. Using a targeted liquid chromatography-mass PR:PROJECT_SUMMARY spectrometry-based metabolomics approach, we found that axenic cultures of the PR:PROJECT_SUMMARY Antarctic sea-ice diatom, Nitzschia lecointei, displayed large differences in PR:PROJECT_SUMMARY their metabolomes when grown in a matrix of conditions that included PR:PROJECT_SUMMARY temperatures of –1 and 4°C, and salinities of 32 and 41, despite relatively PR:PROJECT_SUMMARY small changes in growth rate. Temperature exerted a greater effect than salinity PR:PROJECT_SUMMARY on cellular metabolite pool sizes, though the N- or S-containing compatible PR:PROJECT_SUMMARY solutes, 2,3-dihydroxypropane-1-sulfonate (DHPS), glycine betaine (GBT), PR:PROJECT_SUMMARY dimethylsulfoniopropionate (DMSP), and proline responded strongly to both PR:PROJECT_SUMMARY temperature and salinity, suggesting complexity in their control. We saw the PR:PROJECT_SUMMARY largest (> 4 fold) response to salinity for proline. DHPS, a rarely studied but PR:PROJECT_SUMMARY potential compatible solute, reached the highest intracellular compatible solute PR:PROJECT_SUMMARY concentrations of ~ 85 mM. When comparing the culture findings to natural Arctic PR:PROJECT_SUMMARY sea-ice diatom communities, we found extensive overlap in metabolite profiles, PR:PROJECT_SUMMARY highlighting the relevance of culture-based studies to probe environmental PR:PROJECT_SUMMARY questions. Large changes in sea-ice diatom metabolomes and compatible solutes PR:PROJECT_SUMMARY over a seasonal cycle could be significant components of biogeochemical cycling PR:PROJECT_SUMMARY within sea ice. PR:INSTITUTE University of Washington PR:DEPARTMENT School of Oceanography PR:LABORATORY Ingalls Lab PR:LAST_NAME Dawson PR:FIRST_NAME Hannah PR:ADDRESS 1501 NE Boat Street, Marine Science Building, Room G, Seattle, WA 98195 PR:EMAIL hmdawson@uw.edu PR:PHONE 2062216750 PR:FUNDING_SOURCE Booth Foundation, NSF, UW Graduate Top Scholar Award, Gordon and Betty Moore PR:FUNDING_SOURCE Foundation PR:PUBLICATIONS Dawson et al., Elementa #STUDY ST:STUDY_TITLE Sea-ice diatom compatible solute shifts ST:STUDY_TYPE Compatible solutes were quantified in sea-ice diatoms ST:STUDY_SUMMARY Sea-ice algae provide an important source of primary production in polar ST:STUDY_SUMMARY regions, yet we have limited understanding of their responses to the seasonal ST:STUDY_SUMMARY cycling of temperature and salinity. Using a targeted liquid chromatography-mass ST:STUDY_SUMMARY spectrometry-based metabolomics approach, we found that axenic cultures of the ST:STUDY_SUMMARY Antarctic sea-ice diatom, Nitzschia lecointei, displayed large differences in ST:STUDY_SUMMARY their metabolomes when grown in a matrix of conditions that included ST:STUDY_SUMMARY temperatures of –1 and 4°C, and salinities of 32 and 41, despite relatively ST:STUDY_SUMMARY small changes in growth rate. Temperature exerted a greater effect than salinity ST:STUDY_SUMMARY on cellular metabolite pool sizes, though the N- or S-containing compatible ST:STUDY_SUMMARY solutes, 2,3-dihydroxypropane-1-sulfonate (DHPS), glycine betaine (GBT), ST:STUDY_SUMMARY dimethylsulfoniopropionate (DMSP), and proline responded strongly to both ST:STUDY_SUMMARY temperature and salinity, suggesting complexity in their control. We saw the ST:STUDY_SUMMARY largest (> 4 fold) response to salinity for proline. DHPS, a rarely studied but ST:STUDY_SUMMARY potential compatible solute, reached the highest intracellular compatible solute ST:STUDY_SUMMARY concentrations of ~ 85 mM. When comparing the culture findings to natural Arctic ST:STUDY_SUMMARY sea-ice diatom communities, we found extensive overlap in metabolite profiles, ST:STUDY_SUMMARY highlighting the relevance of culture-based studies to probe environmental ST:STUDY_SUMMARY questions. Large changes in sea-ice diatom metabolomes and compatible solutes ST:STUDY_SUMMARY over a seasonal cycle could be significant components of biogeochemical cycling ST:STUDY_SUMMARY within sea ice. ST:INSTITUTE University of Washington ST:DEPARTMENT School of Oceanography ST:LABORATORY Ingalls Lab ST:LAST_NAME Dawson ST:FIRST_NAME Hannah ST:ADDRESS 1501 NE Boat Street, Marine Science Building, Room G, Seattle, WA 98195 ST:EMAIL hmdawson@uw.edu ST:PHONE 2062216750 ST:PUBLICATIONS Dawson et al., Elementa #SUBJECT SU:SUBJECT_TYPE Other SU:SUBJECT_SPECIES Nitzschia lecointei SU:TAXONOMY_ID 186028 SU:GENDER Not applicable #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 - 32ppt-1C_A Type:Smp | Salinity:32 | Temp_degC:-1 Replicate=A; RFU=605.6; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_32ppt-1C_A;170413_Smp_40ppt4C_C;170410_Smp_32ppt-1C_A SUBJECT_SAMPLE_FACTORS - 32ppt-1C_B Type:Smp | Salinity:32 | Temp_degC:-1 Replicate=B; RFU=551.2; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_32ppt-1C_B;170413_Smp_32ppt-1C_B;170410_Smp_32ppt-1C_B SUBJECT_SAMPLE_FACTORS - 32ppt-1C_C Type:Smp | Salinity:32 | Temp_degC:-1 Replicate=C; RFU=550.6; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_32ppt-1C_C;170413_Smp_32ppt-1C_C;170410_Smp_32ppt-1C_C SUBJECT_SAMPLE_FACTORS - 32ppt4C_A Type:Smp | Salinity:32 | Temp_degC:4 Replicate=A; RFU=847.1; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_32ppt4C_A;170413_Smp_32ppt4C_B;170410_Smp_32ppt4C_A SUBJECT_SAMPLE_FACTORS - 32ppt4C_B Type:Smp | Salinity:32 | Temp_degC:4 Replicate=B; RFU=967.1; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_32ppt4C_B;170413_Smp_32ppt4C_A;170410_Smp_32ppt4C_B SUBJECT_SAMPLE_FACTORS - 32ppt4C_C Type:Smp | Salinity:32 | Temp_degC:4 Replicate=C; RFU=918.5; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_32ppt4C_C;170413_Smp_32ppt4C_C;170410_Smp_32ppt4C_C SUBJECT_SAMPLE_FACTORS - 40ppt-1C_A Type:Smp | Salinity:40 | Temp_degC:-1 Replicate=A; RFU=860.2; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_40ppt-1C_A;170413_Smp_40ppt-1C_A;170410_Smp_40ppt-1C_A SUBJECT_SAMPLE_FACTORS - 40ppt-1C_B Type:Smp | Salinity:40 | Temp_degC:-1 Replicate=B; RFU=681.6; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_40ppt-1C_B;170413_Smp_40ppt4C_B;170410_Smp_40ppt-1C_B SUBJECT_SAMPLE_FACTORS - 40ppt-1C_C Type:Smp | Salinity:40 | Temp_degC:-1 Replicate=C; RFU=814.3; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_40ppt-1C_C;170413_Smp_40ppt-1C_C;170410_Smp_40ppt-1C_C SUBJECT_SAMPLE_FACTORS - 40ppt4C_A Type:Smp | Salinity:40 | Temp_degC:4 Replicate=A; RFU=581.8; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_40ppt4C_A;170413_Smp_40ppt4C_A;170410_Smp_40ppt4C_A SUBJECT_SAMPLE_FACTORS - 40ppt4C_B Type:Smp | Salinity:40 | Temp_degC:4 Replicate=B; RFU=681.6; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_40ppt4C_B;170413_Smp_40ppt-1C_B;170410_Smp_40ppt4C_B SUBJECT_SAMPLE_FACTORS - 40ppt4C_C Type:Smp | Salinity:40 | Temp_degC:4 Replicate=C; RFU=662; Vol_L=0.07; RAW_FILE_NAME=170410_Smp_40ppt4C_C;170413_Smp_32ppt-1C_A;170410_Smp_40ppt4C_C SUBJECT_SAMPLE_FACTORS - ASWFilterBlk_1 Type:Blk | Salinity:NA | Temp_degC:NA Replicate=1; RFU=NA; Vol_L=0.3; RAW_FILE_NAME=170612_Blk_ASWFilterBlk_1;170615_Blk_ASWFilterBlk_1;170612_Blk_ASWFilterBlk_1 SUBJECT_SAMPLE_FACTORS - ASWFilterBlk_2 Type:Blk | Salinity:NA | Temp_degC:NA Replicate=2; RFU=NA; Vol_L=0.3; RAW_FILE_NAME=170612_Blk_ASWFilterBlk_2;170615_Blk_ASWFilterBlk_2;170612_Blk_ASWFilterBlk_2 SUBJECT_SAMPLE_FACTORS - ASWFilterBlk_3 Type:Blk | Salinity:NA | Temp_degC:NA Replicate=3; RFU=NA; Vol_L=0.3; RAW_FILE_NAME=170612_Blk_ASWFilterBlk_3;170615_Blk_ASWFilterBlk_3;170612_Blk_ASWFilterBlk_3 SUBJECT_SAMPLE_FACTORS - MediaBlk_ppt32 Type:Blk | Salinity:32 | Temp_degC:NA Replicate=ppt32; RFU=1; Vol_L=0.07; RAW_FILE_NAME=170410_Blk_MediaBlk_ppt32;170413_Blk_MediaBlk_ppt32;170410_Blk_MediaBlk_ppt32 SUBJECT_SAMPLE_FACTORS - MediaBlk_ppt40 Type:Blk | Salinity:40 | Temp_degC:NA Replicate=ppt40; RFU=1; Vol_L=0.07; RAW_FILE_NAME=170410_Blk_MediaBlk_ppt40;170413_Blk_MediaBlk_ppt40;170410_Blk_MediaBlk_ppt40 SUBJECT_SAMPLE_FACTORS - S2C_4 Type:Smp | Salinity:NA | Temp_degC:NA Replicate=4; RFU=NA; Vol_L=0.1671; RAW_FILE_NAME=170612_Smp_S2C_4;170615_Smp_S2C_4;170612_Smp_S2C_4 SUBJECT_SAMPLE_FACTORS - S2C_5 Type:Smp | Salinity:NA | Temp_degC:NA Replicate=5; RFU=NA; Vol_L=0.2486; RAW_FILE_NAME=170612_Smp_S2C_5;170615_Smp_S2C_5;170612_Smp_S2C_5 SUBJECT_SAMPLE_FACTORS - S2C_6 Type:Smp | Salinity:NA | Temp_degC:NA Replicate=6; RFU=NA; Vol_L=0.2049; RAW_FILE_NAME=170612_Smp_S2C_6;170615_Smp_S2C_6;170612_Smp_S2C_6 #COLLECTION CO:COLLECTION_SUMMARY Cultured diatom cells at different salinities and temperatures grown to CO:COLLECTION_SUMMARY exponential phase were filtered onto 0.2-micron filters and extracted for CO:COLLECTION_SUMMARY metabolites as described in methods. Three dedicated ice cores were sampled from CO:COLLECTION_SUMMARY the Chukchi Sea near Utqiaġvik, AK. The bottom 5-cm sections were placed in CO:COLLECTION_SUMMARY polycarbonate tubs, allowed to melt at 4°C in artificial seawater, and filtered CO:COLLECTION_SUMMARY onto 0.2-micron filters. Filters were extracted for metabolites as described in CO:COLLECTION_SUMMARY methods. All filters were frozen in liquid nitrogen immediately after filtration CO:COLLECTION_SUMMARY and stored in a -80 C freezer until extraction. CO:SAMPLE_TYPE Diatom cells/Particulate matter from sea ice cores CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY Diatom cells were cultured in a matrix of two temperatures (–1°C and 4°C) TR:TREATMENT_SUMMARY and two salinities (32 and 40) in triplicate. There was no treatment for the sea TR:TREATMENT_SUMMARY ice cores – this was a study of how the cultured diatoms compare to the TR:TREATMENT_SUMMARY diatom-dominated Arctic sea-ice communities. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Each sample was extracted using a modified Bligh-Dyer extraction. Briefly, SP:SAMPLEPREP_SUMMARY filters were cut up and put into 15 mL teflon centrifuge tubes containing a SP:SAMPLEPREP_SUMMARY mixture of 100 µm and 400 µm silica beads. Heavy isotope-labeled internal SP:SAMPLEPREP_SUMMARY standards were added along with ~2 mL of cold aqueous solvent (50:50 SP:SAMPLEPREP_SUMMARY methanol:water) and ~3 mL of cold organic solvent (dichloromethane). The samples SP:SAMPLEPREP_SUMMARY were shaken on a FastPrep-24 Homogenizer for 30 seconds and chilled in a -20 °C SP:SAMPLEPREP_SUMMARY freezer repeatedly for three cycles of bead-beating and a total of 30 minutes of SP:SAMPLEPREP_SUMMARY chilling. The organic and aqueous layers were separated by spinning samples in a SP:SAMPLEPREP_SUMMARY centrifuge at 4,300 rpm for 2 minutes at 4 °C. The aqueous layer was removed to SP:SAMPLEPREP_SUMMARY a new glass centrifuge tube. The remaining organic fraction was rinsed three SP:SAMPLEPREP_SUMMARY more times with additions of 1 to 2 mL of 50:50 methanol:water. All aqueous SP:SAMPLEPREP_SUMMARY rinses were combined for each sample and dried down under N2 gas. The remaining SP:SAMPLEPREP_SUMMARY organic layer was transferred into a clean glass centrifuge tube and the SP:SAMPLEPREP_SUMMARY remaining bead beating tube was rinsed two more times with cold organic solvent. SP:SAMPLEPREP_SUMMARY The combined organic rinses were centrifuged, transferred to a new tube, and SP:SAMPLEPREP_SUMMARY dried under N2 gas. Dried aqueous fractions were re-dissolved in 380 µL of SP:SAMPLEPREP_SUMMARY water. Dried organic fractions were re-dissolved in 380 µL of 1:1 SP:SAMPLEPREP_SUMMARY water:acetonitrile. 20 µL of isotope-labeled injection standards in water were SP:SAMPLEPREP_SUMMARY added to both fractions. Blank filters were extracted alongside samples as SP:SAMPLEPREP_SUMMARY methodological blanks. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACTION_METHOD Bligh-Dyer SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY See attached summary CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Waters Xevo-TQ-S MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS See protocol, data from field samples #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized Peak Area Per L Seawater MS_METABOLITE_DATA_START Samples ASWFilterBlk_1 ASWFilterBlk_2 ASWFilterBlk_3 S2C_4 S2C_5 S2C_6 Factors Type:Blk | Salinity:NA | Temp_degC:NA Type:Blk | Salinity:NA | Temp_degC:NA Type:Blk | Salinity:NA | Temp_degC:NA Type:Smp | Salinity:NA | Temp_degC:NA Type:Smp | Salinity:NA | Temp_degC:NA Type:Smp | Salinity:NA | Temp_degC:NA Aconitic Acid 53663.33333 247793.3333 40096.66667 1582582.353 707228 872150 AMP 649.0395097 12214.81713 356.153887 10575702.86 3986108.12 8996874.415 cGMP 1330 1516.666667 0 9298111.765 2089324 3304425 Citric Acid 307740 149476.6667 159876.6667 303084494.1 75066672 165274690 Cysteic Acid 0 64843.2197 119986.5772 227396380.5 106078079 188423621.6 FAD 415.0323577 0 968.2188213 3110957.028 1879630.928 4741567.534 Fructose 6 phosphate 269.3897392 2455.433073 894.729567 19567764.94 5627290.68 10804092.26 Fumaric Acid 592306.6667 270380 197056.6667 3530358.824 2017908 1462690 Gluconic Acid 686.6666667 3376.666667 2433.333333 346732658.8 47625764 143958040 Glucose 1 phosphate 699476.6667 874626.6667 1846750 20957341.18 8666152 15520475 Glucose 6 phosphate 0 0 0 13168800 10228916 12462165 glycerol 3 phosphate 31046.66667 46440 11843.33333 101087247.1 30548668 48739995 GMP 0 1487.756422 0 1043450.102 322542.9677 713798.2255 Isethionic Acid 1077666.677 921674.634 1171212.44 1126643309 530636346 676954248.5 Ketoglutaric Acid 281442.7951 319994.4891 472811.441 80668690.47 24854641.82 85886503.95 Malic Acid 20667356.67 17203743.33 4504126.667 65345511.76 28582968 35290390 Methyl 3-methylthiopropionate 1147063.333 623596.6667 542650 58050358.82 21413920 30161790 Riboflavin Monophosphate 18336.66667 5910 1500 1316235.294 415848 1191445 Ribose 5 phosphate 3380.999633 7157.516153 1516.179339 7952726.382 3512278.582 4698938.932 Shikimic Acid 450 3306.666667 3030 3080217.647 955016 1905890 Succinic Acid 1056372.527 3079204.602 1798229.274 16723476.62 4484869.492 10109379.19 Sucrose 340203.3333 451120 222390 3576217.647 1142912 676680 Sulfolactic acid 273446.3899 240418.9364 652646.4563 4301647.05 1732920.55 2375818.183 Taurine 20203.28422 40779.1134 8409.05876 350729130.1 116879846 127529179.4 Thymine 7503.333333 5030 2656.666667 683711.7647 302604 146780 Trehalose 360 823.3333333 6660 2262347.059 585272 1054310 UDP-glucosamine 0 1320 343.3333333 5252564.706 1918300 3642725 UDP-glucose 706.6666667 0 0 15405482.35 10595908 18883040 Uridine 2276.666667 1710 1450 25839664.71 14832016 19259420 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantitated m/z KEGGNAME CHEBI MS_method KEGG ID Aconitic Acid 173.008615 cis-Aconitate; cis-Aconitic acid CHEBI:32805 HILIC_TQS_Neg C00417 AMP 346.055262 AMP; Adenosine 5'-monophosphate; Adenylic acid; Adenylate; 5'-AMP; 5'-Adenylic acid; 5'-Adenosine monophosphate; Adenosine 5'-phosphate CHEBI:16027 HILIC_TQS_Neg C00020 cGMP 344.039613 3',5'-Cyclic GMP; Guanosine 3',5'-cyclic monophosphate; Guanosine 3',5'-cyclic phosphate; Cyclic GMP; cGMP CHEBI:16356 HILIC_TQS_Neg C00942 Citric Acid 191.01918 Citrate; Citric acid; 2-Hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid CHEBI:30769 HILIC_TQS_Neg C00158 Cysteic Acid 167.996671 L-Cysteate; L-Cysteic acid; 3-Sulfoalanine; 2-Amino-3-sulfopropionic acid CHEBI:17285 HILIC_TQS_Neg C00506 FAD 784.149317 F.D Flavin adenine dinucleotide CHEBI:16238 HILIC_TQS_Neg C00016 Fructose 6 phosphate 259.021897 D-Fructose 6-phosphate; D-Fructose 6-phosphoric acid; Neuberg ester CHEBI:15946 HILIC_TQS_Neg C00085 Fumaric Acid 115.003135 Fumarate; Fumaric acid; trans-Butenedioic acid CHEBI:18012 HILIC_TQS_Neg C00122 Gluconic Acid 195.05048 D-Gluconic acid; D-Gluconate; D-gluco-Hexonic acid CHEBI:33198 HILIC_TQS_Neg C00257 Glucose 1 phosphate 259.021897 D-Glucose 1-phosphate; alpha-D-Glucose 1-phosphate; Cori ester; D-Glucose alpha-1-phosphate CHEBI:29042 HILIC_TQS_Neg C00103 Glucose 6 phosphate 259.021897 D-Glucose 6-phosphate; Glucose 6-phosphate; Robison ester CHEBI:17665 HILIC_TQS_Neg C00092 glycerol 3 phosphate 171.005853 sn-Glycerol 3-phosphate; Glycerophosphoric acid; D-Glycerol 1-phosphate CHEBI:15978 HILIC_TQS_Neg C00093 GMP 362.050178 GMP; Guanosine 5'-phosphate; Guanosine monophosphate; Guanosine 5'-monophosphate; Guanylic acid CHEBI:17345 HILIC_TQS_Neg C00144 Isethionic Acid 124.990857 2-Hydroxyethanesulfonate; 2-Hydroxyethanesulfonic acid; 2-Hydroxyethane-1-sulfonic acid; Isethionic acid; Isethionate CHEBI:1157 HILIC_TQS_Neg C05123 Ketoglutaric Acid 145.0137 2-Oxoglutarate; Oxoglutaric acid; 2-Ketoglutaric acid; alpha-Ketoglutaric acid CHEBI:30915 HILIC_TQS_Neg C00026 Malic Acid 133.0137 (S)-Malate; L-Malate; L-Apple acid; L-Malic acid; L-2-Hydroxybutanedioic acid; Malate; Malic acid CHEBI:6650 HILIC_TQS_Neg C00149 Methyl 3-methylthiopropionate 133.032327 HILIC_TQS_Neg Riboflavin Monophosphate 455.096794 FMN; Riboflavin-5-phosphate; Flavin mononucleotide CHEBI:17621 HILIC_TQS_Neg C00061 Ribose 5 phosphate 229.011333 D-Ribose 5-phosphate; Ribose 5-phosphate CHEBI:17797 HILIC_TQS_Neg C00117 Shikimic Acid 173.045 Shikimate; Shikimic acid; 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid CHEBI:16119 HILIC_TQS_Neg C00493 Succinic Acid 117.018785 Succinate; Succinic acid; Butanedionic acid; Ethylenesuccinic acid CHEBI:15741 HILIC_TQS_Neg C00042 Sucrose 341.10839 Sucrose; Cane sugar; Saccharose; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside CHEBI:17992 HILIC_TQS_Neg C00089 Sulfolactic acid 168.980687 3-Sulfolactate CHEBI:50519 HILIC_TQS_Neg C16069 Taurine 124.006841 Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid CHEBI:15891 HILIC_TQS_Neg C00245 Thymine 127.050753 Thymine; 5-Methyluracil CHEBI:17821 HILIC_TQS_Neg C00178 Trehalose 341.10839 alpha,alpha-Trehalose; alpha,alpha'-Trehalose; Trehalose CHEBI:16551 HILIC_TQS_Neg C01083 UDP-glucosamine 606.073753 UDP-N-acetyl-alpha-D-glucosamine; UDP-N-acetyl-D-glucosamine; UDP-N-acetylglucosamine CHEBI:16264 HILIC_TQS_Neg C00043 UDP-glucose 565.047204 UDP-glucose; UDPglucose; UDP-D-glucose; Uridine diphosphate glucose; UDP-alpha-D-glucose CHEBI:18066 HILIC_TQS_Neg C00029 Uridine 243.061713 Uridine CHEBI:16704 HILIC_TQS_Neg C00299 METABOLITES_END #END