#METABOLOMICS WORKBENCH sakanaka_20190926_042826_mwtab.txt DATATRACK_ID:1826 STUDY_ID:ST001261 ANALYSIS_ID:AN002092 PROJECT_ID:PR000847 VERSION 1 CREATED_ON October 2, 2019, 9:23 am #PROJECT PR:PROJECT_TITLE Fusobacterium nucleatum metabolome PR:PROJECT_SUMMARY CE-TOFMS-based untargeted analysis of the extracellular metabolite changes of F. PR:PROJECT_SUMMARY nucleatum when co-cultured with other oral microbes PR:INSTITUTE Osaka University Graduate School of Dentistry PR:DEPARTMENT Department of Preventive Dentistry PR:LAST_NAME Kuboniwa PR:FIRST_NAME Masae PR:ADDRESS Yamadaoka 1-8 PR:EMAIL kuboniwa@dent.osaka-u.ac.jp PR:PHONE 81668792922 #STUDY ST:STUDY_TITLE Metabolic changes of culture supernatants of Fusobacterium nucleatum co-cultured ST:STUDY_TITLE with other oral microbes (part-II) ST:STUDY_SUMMARY We used membrane-separated co-culture systems to globally assess extracellular ST:STUDY_SUMMARY metabolomic changes of Fusobacterium nucleatum co-cultured with Streptococcus ST:STUDY_SUMMARY gordonii and/or Veillonella parvula. ST:INSTITUTE Osaka University Graduate School of Dentistry ST:DEPARTMENT Department of Preventive Dentistry ST:LAST_NAME Kuboniwa ST:FIRST_NAME Masae ST:ADDRESS Yamadaoka 1-8 ST:EMAIL kuboniwa@dent.osaka-u.ac.jp ST:PHONE 81668792922 #SUBJECT SU:SUBJECT_TYPE Other SU:SUBJECT_SPECIES Fusobacterium nucleatum #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Fn_1 partner:none SUBJECT_SAMPLE_FACTORS - Fn_2 partner:none SUBJECT_SAMPLE_FACTORS - Fn_3 partner:none SUBJECT_SAMPLE_FACTORS - Fn-Sg_1 partner:Sg SUBJECT_SAMPLE_FACTORS - Fn-Sg_2 partner:Sg SUBJECT_SAMPLE_FACTORS - Fn-Sg_3 partner:Sg SUBJECT_SAMPLE_FACTORS - Fn-Vp_1 partner:Vp SUBJECT_SAMPLE_FACTORS - Fn-Vp_2 partner:Vp SUBJECT_SAMPLE_FACTORS - Fn-Vp_3 partner:Vp SUBJECT_SAMPLE_FACTORS - Fn-SgVp_1 partner:SgVp SUBJECT_SAMPLE_FACTORS - Fn-SgVp_2 partner:SgVp SUBJECT_SAMPLE_FACTORS - Fn-SgVp_3 partner:SgVp #COLLECTION CO:COLLECTION_SUMMARY Spent medium from cultures and sterile CDM were centrifuged, filtered through CO:COLLECTION_SUMMARY 0.22-µm filtration devices (Millipore) and lyophilized. CO:SAMPLE_TYPE Bacterial cells #TREATMENT TR:TREATMENT_SUMMARY Co-culture growth was performed by inoculating 1.4E+10 cells of F. nucleatum in TR:TREATMENT_SUMMARY CDM in the lower chamber of a Transwell unit with 0.4-µm pore polystyrene TR:TREATMENT_SUMMARY membrane inserts (Corning, NY, USA), into which 1.4E+10 cells of S. gordonii, V. TR:TREATMENT_SUMMARY parvula or their mixture (7E+9 cells each) in CDM, or an equal volume of CDM (as TR:TREATMENT_SUMMARY a control) were added. The setup was anaerobically incubated in triplicate for TR:TREATMENT_SUMMARY 37°C. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To remove protein, 2 ml of chloroform and 0.8 ml of ultrapure water were added SP:SAMPLEPREP_SUMMARY to the samples, which were thoroughly mixed and centrifuged at 2300 × g for 5 SP:SAMPLEPREP_SUMMARY minutes at 4˚C. The upper aqueous layer was then transferred to ultrafilter SP:SAMPLEPREP_SUMMARY tips (Amicon ultrafilter system™) and centrifuged at 9100 × g for 120 minutes SP:SAMPLEPREP_SUMMARY at 4˚C. Filtered material was dried under reduced pressure, followed by SP:SAMPLEPREP_SUMMARY suspension in 50 µl of ultrapure water. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE CE CH:INSTRUMENT_NAME Agilent 6210 CH:COLUMN_NAME None #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6210 TOF MS:INSTRUMENT_TYPE CE-TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The conditions for measurement of cationic metabolites were as follows. Run MS:MS_COMMENTS buffer: Cation Buffer Solution (H3301-1001; Human Metabolome Technologies MS:MS_COMMENTS (HMT)), CE voltage: +27kV, MS ionization: ESI positive, MS capillary voltage: MS:MS_COMMENTS 4,000V, MS scan range: m/z 50-1,000, and sheath liquid: HMT Sheath Liquid MS:MS_COMMENTS (H3301-1020). Identification of metabolites and evaluation of the relative MS:MS_COMMENTS amounts were conducted using Master Hands (version 2.16.0.15 and 2.17.1.11; Keio MS:MS_COMMENTS University, Tokyo, Japan) with the HMT metabolite database. The relative amount MS:MS_COMMENTS of each metabolite was calculated with reference to the internal standard MS:MS_COMMENTS material (HMT). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples Fn_1 Fn_2 Fn_3 Fn-Sg_1 Fn-Sg_2 Fn-Sg_3 Fn-Vp_1 Fn-Vp_2 Fn-Vp_3 Fn-SgVp_1 Fn-SgVp_2 Fn-SgVp_3 Factors partner:none partner:none partner:none partner:Sg partner:Sg partner:Sg partner:Vp partner:Vp partner:Vp partner:SgVp partner:SgVp partner:SgVp Hypoxanthine 0.000000 0.000000 0.000000 0.000765 0.000853 0.000894 0.000013 0.000014 0.000018 0.000022 0.000023 0.000020 beta-Alanyl-L-lysine 0.000000 0.000000 0.000000 0.000000 0.000010 0.000011 0.000000 0.000010 0.000010 0.000012 0.000012 0.000011 Piperidine 0.000000 0.000000 0.000000 0.000000 0.000003 0.000000 0.000000 0.000000 0.000000 0.000011 0.000009 0.000009 3-Amino-1,2-propanediol 0.000000 0.000000 0.000000 0.000012 0.000013 0.000014 0.000000 0.000000 0.000000 0.000015 0.000015 0.000011 3-Amino-2-piperidone 0.000000 0.000000 0.000000 0.000012 0.000012 0.000013 0.000000 0.000000 0.000000 0.000012 0.000020 0.000017 2-Methylserine 0.000000 0.000000 0.000000 0.000102 0.000107 0.000122 0.000000 0.000000 0.000000 0.000070 0.000082 0.000079 Glutaconic acid 0.000000 0.000000 0.000000 0.000082 0.000087 0.000092 0.000000 0.000000 0.000000 0.000036 0.000033 0.000033 Hydroxyproline 0.000000 0.000000 0.000000 0.000012 0.000013 0.000016 0.000000 0.000000 0.000000 0.000015 0.000018 0.000015 N-Methy-L-glutamic acid 0.000000 0.000000 0.000000 0.000029 0.000036 0.000036 0.000000 0.000000 0.000000 0.000041 0.000038 0.000034 O-Acetylhomoserine 0.000000 0.000000 0.000000 0.000007 0.000007 0.000008 0.000000 0.000000 0.000000 0.000010 0.000013 0.000010 N5-Ethyl-L-glutamine 0.000000 0.000000 0.000000 0.000026 0.000028 0.000029 0.000000 0.000000 0.000000 0.000055 0.000050 0.000050 Citrulline 0.000000 0.000000 0.000000 0.000085 0.000088 0.000095 0.000000 0.000000 0.000000 0.000115 0.000109 0.000122 N8-Acetylspermidine 0.000000 0.000000 0.000000 0.000006 0.000005 0.000003 0.000000 0.000000 0.000000 0.000007 0.000007 0.000007 N6,N6,N6-Trimethyl-L-lysine 0.000000 0.000000 0.000000 0.000005 0.000003 0.000000 0.000000 0.000000 0.000000 0.000005 0.000006 0.000005 Ethylacetimidate 0.000000 0.000000 0.000000 0.000020 0.000023 0.000026 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 N-Acetylserine 0.000000 0.000000 0.000000 0.000054 0.000052 0.000055 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 Ornithine 0.000004 0.000005 0.000005 0.000102 0.000106 0.000140 0.000006 0.000008 0.000005 0.000175 0.000194 0.000162 Ala 0.001265 0.001320 0.001229 0.018287 0.019785 0.021012 0.001965 0.002065 0.002098 0.019001 0.018583 0.018614 Asp 0.000070 0.000084 0.000072 0.000629 0.000677 0.000720 0.000096 0.000096 0.000107 0.000135 0.000141 0.000135 Gly 0.000195 0.000206 0.000194 0.001362 0.001378 0.001563 0.000540 0.000561 0.000571 0.001894 0.001868 0.001810 Homoserine 0.000007 0.000006 0.000008 0.000041 0.000042 0.000050 0.000011 0.000010 0.000000 0.000056 0.000054 0.000057 D-Alanyl-D-alanine 0.000105 0.000117 0.000111 0.000628 0.000680 0.000710 0.000179 0.000176 0.000189 0.000726 0.000724 0.000744 N-Acetylputrescine 0.000008 0.000007 0.000010 0.000022 0.000026 0.000026 0.000010 0.000009 0.000012 0.000038 0.000044 0.000034 Nicotinic acid 0.000008 0.000011 0.000009 0.000025 0.000029 0.000023 0.000038 0.000038 0.000043 0.000081 0.000072 0.000071 Cytidine 0.000014 0.000015 0.000015 0.000037 0.000045 0.000039 0.000021 0.000021 0.000021 0.000078 0.000062 0.000075 Glu 0.000122 0.000133 0.000114 0.000324 0.000328 0.000332 0.000172 0.000193 0.000184 0.000164 0.000152 0.000188 Deoxyadenosine 0.000010 0.000009 0.000014 0.000027 0.000031 0.000029 0.000010 0.000013 0.000014 0.000011 0.000011 0.000015 2-Aminobutyric acid 0.000023 0.000027 0.000025 0.000051 0.000058 0.000067 0.000093 0.000096 0.000108 0.000281 0.000266 0.000271 Adenosine 0.000036 0.000033 0.000039 0.000074 0.000076 0.000084 0.000037 0.000037 0.000037 0.000088 0.000092 0.000093 GABA 0.000006 0.000007 0.000006 0.000011 0.000016 0.000011 0.000000 0.000010 0.000008 0.000017 0.000017 0.000018 Guanosine 0.000019 0.000022 0.000024 0.000040 0.000042 0.000047 0.000023 0.000024 0.000022 0.000038 0.000038 0.000044 Val 0.001397 0.001404 0.001349 0.002504 0.002595 0.002679 0.002237 0.002386 0.002402 0.003501 0.003490 0.003524 Diethanolamine 0.000008 0.000007 0.000008 0.000012 0.000016 0.000014 0.000008 0.000019 0.000031 0.000010 0.000009 0.000016 Thr 0.000111 0.000106 0.000112 0.000152 0.000184 0.000211 0.000111 0.000129 0.000118 0.000223 0.000229 0.000180 Uridine 0.000017 0.000015 0.000014 0.000023 0.000025 0.000025 0.000045 0.000045 0.000043 0.000040 0.000039 0.000053 Choline 0.000047 0.000048 0.000042 0.000070 0.000070 0.000062 0.000054 0.000054 0.000054 0.000096 0.000093 0.000090 Pro 0.000702 0.000713 0.000723 0.001000 0.001024 0.001060 0.000928 0.000980 0.000980 0.001300 0.001281 0.001279 7-Methylguanine 0.000008 0.000009 0.000008 0.000010 0.000012 0.000013 0.000014 0.000019 0.000014 0.000021 0.000024 0.000021 Uracil 0.000361 0.000369 0.000335 0.000474 0.000487 0.000503 0.000694 0.000696 0.000715 0.001005 0.001015 0.001021 Gluconolactone 0.000012 0.000000 0.000000 0.000016 0.000000 0.000018 0.000000 0.000000 0.000015 0.000016 0.000023 0.000019 Pyridoxal 0.000000 0.000000 0.000006 0.000008 0.000009 0.000008 0.000006 0.000008 0.000007 0.000012 0.000009 0.000012 Nicotinamide 0.000023 0.000025 0.000028 0.000031 0.000039 0.000031 0.000020 0.000022 0.000021 0.000035 0.000037 0.000040 Cadaverine 0.000016 0.000018 0.000019 0.000022 0.000024 0.000022 0.000136 0.000143 0.000143 0.000161 0.000152 0.000138 Asn 0.000165 0.000160 0.000151 0.000191 0.000186 0.000190 0.000152 0.000169 0.000155 0.000119 0.000121 0.000132 Ile 0.000992 0.001074 0.001027 0.001174 0.001216 0.001221 0.001344 0.001508 0.001367 0.001244 0.001243 0.001437 Adenine 0.001488 0.001410 0.001418 0.001705 0.001593 0.001677 0.001117 0.001142 0.001109 0.001143 0.001135 0.001307 Thiamine 0.000008 0.000008 0.000008 0.000011 0.000009 0.000009 0.000067 0.000069 0.000070 0.000060 0.000065 0.000057 Leu 0.001614 0.001743 0.001603 0.001787 0.001856 0.001729 0.002297 0.002302 0.002259 0.002376 0.002230 0.002431 Putrescine 0.000937 0.000959 0.000950 0.000992 0.001046 0.001026 0.000940 0.000953 0.000981 0.001222 0.001114 0.001219 Ser 0.000130 0.000131 0.000123 0.000119 0.000148 0.000146 0.000137 0.000157 0.000159 0.000151 0.000148 0.000128 4-Guanidinobutyric acid 0.000004 0.000005 0.000004 0.000004 0.000005 0.000006 0.000011 0.000011 0.000012 0.000016 0.000015 0.000015 N-Acetyllysine 0.000086 0.000092 0.000088 0.000098 0.000089 0.000095 0.000103 0.000108 0.000109 0.000096 0.000091 0.000102 5-Aminolevulinic acid 0.000006 0.000006 0.000005 0.000007 0.000007 0.000005 0.000006 0.000007 0.000006 0.000008 0.000007 0.000008 Glycerol 0.003680 0.002586 0.001930 0.002454 0.002694 0.003416 0.002418 0.002165 0.002318 0.002646 0.004298 0.006301 Lys 0.000614 0.000612 0.000609 0.000549 0.000646 0.000688 0.001513 0.001691 0.001605 0.001742 0.001823 0.001496 Spermine 0.000022 0.000027 0.000020 0.000022 0.000022 0.000024 0.000025 0.000029 0.000023 0.000029 0.000029 0.000027 Guanine 0.002021 0.001928 0.001977 0.001982 0.001897 0.002069 0.001611 0.001699 0.001596 0.000910 0.000937 0.001066 Cytosine 0.001238 0.001219 0.001194 0.001192 0.001412 0.001027 0.001203 0.001357 0.001268 0.001275 0.001386 0.001334 Pterin 0.000008 0.000013 0.000012 0.000010 0.000012 0.000010 0.000012 0.000013 0.000008 0.000011 0.000011 0.000011 Phosphorylcholine 0.000012 0.000015 0.000011 0.000012 0.000011 0.000012 0.000000 0.000011 0.000012 0.000012 0.000012 0.000000 Met 0.000027 0.000030 0.000022 0.000023 0.000026 0.000023 0.000027 0.000048 0.000033 0.000024 0.000021 0.000026 Tyr 0.000159 0.000177 0.000164 0.000142 0.000150 0.000152 0.000234 0.000257 0.000242 0.000171 0.000155 0.000186 Agmatine 0.000060 0.000055 0.000052 0.000049 0.000049 0.000051 0.000063 0.000058 0.000059 0.000054 0.000054 0.000055 N-Acetylornithine 0.000025 0.000031 0.000026 0.000024 0.000025 0.000024 0.000025 0.000031 0.000026 0.000017 0.000020 0.000021 Thymidine 0.000020 0.000021 0.000021 0.000019 0.000017 0.000019 0.000027 0.000024 0.000026 0.000017 0.000020 0.000017 Creatinine 0.000055 0.000045 0.000040 0.000043 0.000039 0.000038 0.000043 0.000037 0.000044 0.000045 0.000056 0.000052 Spermidine 0.000392 0.000391 0.000371 0.000308 0.000305 0.000325 0.000455 0.000420 0.000448 0.000383 0.000396 0.000364 Phe 0.000497 0.000524 0.000501 0.000405 0.000428 0.000401 0.000712 0.000738 0.000715 0.000471 0.000441 0.000501 Dyphylline 0.000675 0.000576 0.000446 0.000416 0.000457 0.000484 0.000515 0.000453 0.000497 0.000361 0.000482 0.000674 Gln 0.000053 0.000058 0.000057 0.000040 0.000039 0.000041 0.000055 0.000060 0.000059 0.000048 0.000045 0.000053 Arg 0.000656 0.000693 0.000667 0.000404 0.000451 0.000431 0.000897 0.000977 0.000895 0.000398 0.000431 0.000432 Ethanolamine 0.000477 0.000522 0.000460 0.000243 0.000215 0.000212 0.000465 0.000493 0.000476 0.000366 0.000363 0.000343 Glucosamine 0.000052 0.000065 0.000052 0.000016 0.000018 0.000013 0.000078 0.000096 0.000082 0.000010 0.000010 0.000011 Methionine sulfoxide 0.000073 0.000074 0.000082 0.000025 0.000018 0.000016 0.000093 0.000090 0.000093 0.000030 0.000033 0.000034 Hexylamine 0.000000 0.000006 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000008 0.000011 0.000000 Trimethylamine 0.000000 0.000025 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000024 0.000046 0.000022 Betaine 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000073 0.000085 0.000086 0.000076 0.000080 0.000074 Trp 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000008 0.000009 0.000009 0.000011 0.000010 0.000009 Isopropanolamine 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000011 0.000000 0.000009 N6-Methyl-L-lysine 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000006 0.000005 0.000006 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID HMDB ID m/z MT Hypoxanthine C00262 HMDB00157 137.0451722 11.33177572 beta-Alanyl-L-lysine C05341 218.1489814 6.982923857 Piperidine C01746 86.0967 7.16578415 3-Amino-1,2-propanediol C06057 92.07046833 7.651745133 3-Amino-2-piperidone HMDB00323 115.0867625 7.804421967 2-Methylserine C02115 120.0652058 10.61545208 Glutaconic acid C02214 HMDB00620 131.0333917 23.4408625 Hydroxyproline C01157 HMDB00725 132.0650667 12.31172092 N-Methy-L-glutamic acid C01046 162.0759817 13.4042765 O-Acetylhomoserine C01077 162.07611 11.2706575 N5-Ethyl-L-glutamine C01047 175.1068 11.63426158 Citrulline C00327 HMDB00904 176.1021 11.32039733 N8-Acetylspermidine C01029 HMDB02189 188.1745783 6.518183967 N6,N6,N6-Trimethyl-L-lysine C03793 HMDB01325 189.159736 7.3695435 Ethylacetimidate 88.075832 7.2722902 N-Acetylserine HMDB02931 148.06039 23.66798733 Ornithine C00077 HMDB00214 133.096935 7.00404047 Ala C00041 HMDB00161 90.05483833 9.244964292 Asp C00049 HMDB00191 134.0442558 11.80732467 Gly C00037 HMDB00123 76.03944342 8.520042833 Homoserine C00263 HMDB00719 120.0657684 10.32341533 D-Alanyl-D-alanine C00993 HMDB03459 161.0917992 9.499472708 N-Acetylputrescine C02714 HMDB02064 131.11771 8.668768625 Nicotinic acid C00253 HMDB01488 124.0389523 10.23040675 Cytidine C00475 HMDB00089 244.0920592 9.920830958 Glu C00025 HMDB00148 148.0599525 11.20803342 Deoxyadenosine C00559 HMDB00101 252.1083658 9.874401542 2-Aminobutyric acid C03665 HMDB01906 104.0707883 9.8735395 Adenosine C00212 HMDB00050 268.1034017 10.10313375 GABA C00334 HMDB00112 104.0707583 7.893128378 Guanosine C00387 HMDB00133 284.0982517 12.80119133 Val C00183 HMDB00883 118.0860135 10.27079604 Diethanolamine C06772 HMDB04437 106.086292 7.848359069 Thr C00188 HMDB00167 120.0653543 10.76180321 Uridine C00299 HMDB00296 245.076461 22.6044994 Choline C00114 HMDB00097 104.1070404 7.0487073 Pro C00148 HMDB00162 116.0706429 11.06011242 7-Methylguanine C02242 HMDB00897 166.0717717 8.440905583 Uracil C00106 HMDB00300 113.0345305 22.55615675 Gluconolactone C00198 HMDB00150 179.0541686 23.34414786 Pyridoxal C00250 HMDB01545 168.06478 8.99995365 Nicotinamide C00153 HMDB01406 123.0551448 7.59047855 Cadaverine C01672 HMDB02322 103.1228732 5.12478385 Asn C00152 HMDB00168 133.0599692 10.72227575 Ile C00407 HMDB00172 132.1017375 10.46425963 Adenine C00147 HMDB00034 136.0610942 7.819202092 Thiamine C00378 HMDB00235 265.1107025 6.774371942 Leu C00123 HMDB00687 132.1017525 10.57434063 Putrescine C00134 HMDB01414 89.107508 4.85041675 Ser C00065 HMDB00187 106.0495755 10.22010579 4-Guanidinobutyric acid C01035 HMDB03464 146.092057 8.50022555 N-Acetyllysine C12989 HMDB00446 189.1225292 9.981008792 5-Aminolevulinic acid C00430 HMDB01149 132.0658383 8.198421583 Glycerol C00116 HMDB00131 93.05466962 22.55093177 Lys C00047 HMDB00182 147.1120692 7.068477667 Spermine C00750 HMDB01256 203.2223758 4.619039183 Guanine C00242 HMDB00132 152.05648 8.517465 Cytosine C01606 HMDB02107 165.01977 15.89044238 Pterin C00715 HMDB00802 164.0564042 10.45577283 Phosphorylcholine C00588 HMDB01565 184.072968 21.0551643 Met C00073 HMDB00696 150.05822 10.98530271 Tyr C00082 HMDB00158 182.0801575 11.62330233 Agmatine C00179 HMDB01432 131.1290792 5.307994267 N-Acetylornithine C00437 HMDB03357 175.1073542 9.669716375 Thymidine C00214 HMDB00273 243.0934908 22.61874225 Creatinine C00791 HMDB00562 114.065253 7.454594175 Spermidine C00315 HMDB01257 146.1648775 4.675807342 Phe C00079 HMDB00159 166.0859458 11.35333367 Dyphylline C07819 255.1066715 22.58028462 Gln C00064 HMDB00641 147.0760667 11.00857688 Arg C00062 HMDB00517 175.1185475 7.30237925 Ethanolamine C00189 HMDB00149 62.06005625 6.525829775 Glucosamine C00329 HMDB01514 180.0855154 9.538266269 Methionine sulfoxide C02989 HMDB02005 166.0525575 12.142635 Hexylamine C08306 102.1275083 7.8019508 Trimethylamine C00565 HMDB00906 60.0808125 6.029106875 Betaine C00719 HMDB00043 118.0861192 11.52470392 Trp C00078 HMDB00929 205.0962217 11.27777317 Isopropanolamine C00099 HMDB00056 90.05479333 7.5360948 N6-Methyl-L-lysine C02728 HMDB02038 161.1279533 7.307424433 METABOLITES_END #END