#METABOLOMICS WORKBENCH araskind_20170619_133932 DATATRACK_ID:1024 STUDY_ID:ST000722 ANALYSIS_ID:AN001130 PROJECT_ID:PR000519 VERSION 1 CREATED_ON July 2, 2017, 9:37 pm #PROJECT PR:PROJECT_TITLE Metabolomics of Diapause PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Comparing the metabolome/lipidome profiles of diapausing and non-diapausing PR:PROJECT_SUMMARY aedes albopictus eggs PR:INSTITUTE Georgetown University PR:DEPARTMENT Department of Biology PR:LABORATORY Armbruster Lab PR:LAST_NAME Armbruster PR:FIRST_NAME Peter PR:ADDRESS Washington, D.C. PR:EMAIL paa9@georgetown.edu PR:PHONE 202-687-2567 #STUDY ST:STUDY_TITLE Metabolomics of Diapause in Aedes albopictus ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Replicate populations of Aedes albopictus were reared under diapause-inducing ST:STUDY_SUMMARY short day photoperiod (8h light: 16h dark) and diapause-averting long day ST:STUDY_SUMMARY photoperiod (16h light:8h dark). Eggs were collected from each replicate and ST:STUDY_SUMMARY snap-frozen 11d post-oviposition. We hope to characterize the metabolomic and ST:STUDY_SUMMARY lipidomic profiles of diapausing eggs relative to non-diapause eggs. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 16 #SUBJECT SU:SUBJECT_TYPE Insect SU:SUBJECT_SPECIES Aedes albopictus SU:TAXONOMY_ID 7160 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0016263 S00026036 Diapause:Diapause SUBJECT_SAMPLE_FACTORS SU0016264 S00026037 Diapause:Diapause SUBJECT_SAMPLE_FACTORS SU0016265 S00026038 Diapause:Diapause SUBJECT_SAMPLE_FACTORS SU0016266 S00026039 Diapause:Diapause SUBJECT_SAMPLE_FACTORS SU0016267 S00026040 Diapause:Non-Diapause SUBJECT_SAMPLE_FACTORS SU0016268 S00026041 Diapause:Non-Diapause SUBJECT_SAMPLE_FACTORS SU0016269 S00026042 Diapause:Non-Diapause SUBJECT_SAMPLE_FACTORS SU0016270 S00026043 Diapause:Non-Diapause SUBJECT_SAMPLE_FACTORS SU0016271 S00026044 Diapause:Diapause SUBJECT_SAMPLE_FACTORS SU0016272 S00026045 Diapause:Diapause SUBJECT_SAMPLE_FACTORS SU0016273 S00026046 Diapause:Diapause SUBJECT_SAMPLE_FACTORS SU0016274 S00026047 Diapause:Diapause SUBJECT_SAMPLE_FACTORS SU0016275 S00026048 Diapause:Non-Diapause SUBJECT_SAMPLE_FACTORS SU0016276 S00026049 Diapause:Non-Diapause SUBJECT_SAMPLE_FACTORS SU0016277 S00026050 Diapause:Non-Diapause SUBJECT_SAMPLE_FACTORS SU0016278 S00026051 Diapause:Non-Diapause #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003 - Untargeted Metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A003 - Untargeted Metabolomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00026044 S00026045 S00026046 S00026047 S00026048 S00026049 S00026050 S00026051 Factors Diapause:Diapause Diapause:Diapause Diapause:Diapause Diapause:Diapause Diapause:Non-Diapause Diapause:Non-Diapause Diapause:Non-Diapause Diapause:Non-Diapause 1-METHYLURIC ACID (2M-H)- 4658 4773 2283 1007 2291 783 341 1180 1-METHYLURIC ACID (M-H)- 51606 50658 40803 31414 39391 29821 27869 37324 18:0 LYSO-PE (M-H)- 60573 101182 63023 36844 53573 33000 61993 31204 2'-DEOXYINOSINE (M+CL)- 1640 7344 4080 11308 33477 9523 15794 2304 2-METHYLMALEIC ACID (M-H)- 21172 33520 21852 17083 14775 14954 17482 16790 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 106676 94126 95523 64897 157834 84750 67730 152221 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 4312 7476 5178 4896 5474 8561 3809 16067 3-PHOSPHOGLYCERIC ACID (M-H)- 2997 3564 5393 7555 6405 8698 12128 10122 3-SULFINO-L-ALANINE (M-H)- 1615 1143 4859 4207 3654 7148 6088 4583 4-ACETAMIDOBUTANOIC ACID (M-H)- 9570 12853 10839 10095 7341 8060 7783 8512 4-HYDROXYBENZOIC ACID (M-H)- 15437 18373 20614 22262 18444 15626 17059 16924 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 10744 17449 11886 10807 10225 14411 7191 23778 4-NITROPHENOL (M-H)- 15645 15181 20035 25066 13230 14752 17425 14877 4-PYRIDOXIC ACID (M-H)- 27193 16053 22631 15200 27961 25828 23274 20084 5'-METHYLTHIOADENOSINE (M+CL)- 12562 18036 18529 6109 8571 14426 11490 12305 5-AMINOPENTANOIC ACID (M-H)- 3187 5029 6442 7179 5292 4508 4351 6674 ADENOSINE 5'-MONOPHOSPHATE (2M-H)+ 5682 6447 9730 9256 9100 10374 11487 10825 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 30870 32643 61636 76494 56598 77400 91094 88628 ADIPIC ACID (M-H)- 25834 38398 53573 38013 21606 65654 30726 36803 ALLANTOIN (M-H)- 9657 9951 15820 25638 22353 32006 28411 32758 ALPHA-KETO-GLUTARIC ACID (M-H)- 928212 1152758 1058816 1409103 1189298 1344303 1694207 2132402 ARACHIDIC ACID (M-H)- 18451 29672 20394 20995 27647 25327 30498 21941 ARACHIDONIC ACID (M-H)- 113379 195884 175702 205063 223179 214210 380374 247208 ASPARAGINE (M-H)- 16587 12286 33248 57654 16143 43279 82983 58506 ASPARTIC ACID (M-H)- 7296 7641 27919 39744 50482 58053 64537 68408 AZELAIC ACID (M-H)- 7185 12093 15253 11850 50808 22928 12550 10136 BEHENIC ACID (M-H)- 6858 10322 4680 4510 5862 8820 7511 4991 BENZOIC ACID (M-H)- 8581 13768 10344 10059 9034 7445 10851 10242 CIS-11-EICOSENOIC ACID (M-H)- 2213 6655 2850 2660 2428 7593 2954 2255 CYSTINE (M-H)- 2273 1085 5650 6236 2903 6121 5757 5365 D-GLUCOSAMINE (M+CL)- 46184 46096 88399 145275 84390 122301 205816 155982 D-GLUCOSE 6-PHOSPHATE (M-H)- 11821 12514 32268 77685 27890 57282 71235 58061 DEHYDROASCORBIC ACID (M-H)- 22645 24447 76569 106378 71727 92917 87628 45086 DEOXYURIDINE (M+CL)- 20438 175183 195467 868991 894883 431929 700605 126974 DOCOSAHEXAENOIC ACID (M-H)- 5837 8473 9625 10291 10727 9625 15703 13925 DUMP (M-H)- 6544 7555 3472 5212 4271 1820 3419 EPIBRASSINOLIDE [ISTD] (M+CL)- 150572 196300 269052 296981 187503 252384 350951 307071 FUMARIC ACID (M-H)- 37470 16826 72044 108733 43785 58857 61317 79580 GLUCARIC ACID (M-H)- 17113 2783 5746 8726 7057 10774 11252 11400 GLUCONIC ACID (M-H)- 65669 135115 143873 276735 155043 239118 244988 302164 GLUCOSE (M+CL)- 482756 502505 870871 1495278 999305 1371013 1483248 1629797 GLUCURONIC ACID (M+CL)- 2184 2169 12646 19045 13107 13060 14366 10847 GLUCURONIC ACID (M-H)- 8574 9017 17654 35746 20058 37448 42197 38533 GLUTAMIC ACID (M-H)- 276181 291711 514056 1079788 569390 887085 1115564 1177824 GLUTAMINE (M-H)- 103402 60113 163897 246744 72603 203720 354327 241601 GLUTARIC ACID (M-H)- 3581 3495 2429 1685 7174 3417 2547 16681 GLYCINE (M-H)- 2107 756 2566 3486 1208 2733 5742 3102 GUANOSINE (M-H)- 17929 22826 23407 28506 26150 27528 29330 29356 HEPTADECANOIC ACID (M-H)- 4636 11746 7258 11051 5725 19905 9858 9001 HEXACOSANOIC ACID (M-H)- 2229 6491 2493 3064 1407 19615 2478 1218 HOMOSERINE (M-H)- 32610 14418 45653 64816 19031 53052 89938 60871 HYODEOXYCHOLIC ACID (M-H)- 385176 554792 571134 766150 563904 671146 784554 800566 INOSINE (M+CL)- 183986 179492 337579 494533 367478 418868 421200 411013 INOSINE (M-H)- 338411 349470 418783 529044 482168 499271 473159 463894 ISOCITRIC ACID (M-H)- 143079 137644 1300496 1334301 875639 1217817 1041837 256707 ISOLEUCINE (M-H)- 264241 201399 383513 366856 334777 264021 202543 282608 KYNURENIC ACID (M-H)- 11897 8328 7275 8994 9415 6973 7671 9899 L-HISTIDINE (M-H)- 31410 36283 42550 84754 37030 74931 106960 77937 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 15103 19926 31623 34994 21806 26797 39851 35838 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 53906 67255 81826 86676 61207 64100 84116 74678 LAURIC ACID (M-H)- 4540 7043 6299 4098 4813 8265 6578 4138 LIGNOCERIC ACID (M-H)- 5358 10349 6114 6755 5487 25799 7938 6084 LINOLEIC ACID (M-H)- 185945 222364 246881 287537 243179 351876 438116 277771 LYSINE (M-H)- 1174 2848 2137 2577 1414 1916 2020 2115 METHYL BETA-D-GALACTOSIDE (M+CL)- 16473 14026 14518 21435 17464 22496 30587 34682 MYRISTIC ACID (M-H)- 17367 20923 25722 33756 23492 50765 35985 34186 MYRISTOLEIC ACID (M-H)- 79019 101214 109979 81746 103871 141665 155971 86724 N-ACETYL--GLUTAMIC ACID (M-H)- 1857281 1349166 1691398 1845959 1216187 1323979 1169202 1250292 N-ACETYL-ASPARTIC ACID (M-H)- 5810827 6144293 8314257 9492120 7502419 8957008 10006662 10295342 N-ACETYL-D-GLUCOSAMINE (M+CL)- 7255 40565 14487 45678 17469 23217 29471 33207 N-ACETYL-DL-METHIONINE (M-H)- 125692 132698 84745 42716 53662 37340 33449 46270 N-ACETYL-L-ALANINE (M-H)- 49437 166798 62170 69066 76893 69253 56244 61427 N-ACETYL-L-LEUCINE (M-H)- 3073 7154 5692 2385 2338 2448 2022 2797 N-ACETYLNEURAMINIC ACID (M-H)- 7161 8156 12152 25712 13025 19867 22967 26498 N-METHYL-GLUTAMIC ACID (M-H)- 14054 14080 14479 22565 19301 22593 28449 36201 OLEIC ACID (M-H)- 673276 1506252 734012 696012 714663 701895 1147372 640759 OROTIC ACID (M-H)- 43758 33811 24883 218721 104460 49539 35942 75184 OXALOACETIC ACID (M-H)-[-H2O] 22935 27519 38924 57191 38189 46454 58517 55508 PALMITIC ACID (M-H)- 238417 388884 267151 288068 250969 311332 388496 277457 PALMITOLEIC ACID (M-H)- 685016 912677 1000792 1221148 877046 1067222 1553566 1061554 PANTOTHENIC ACID (M+CL)- 37523 38371 25605 15748 21388 21034 13775 18892 PANTOTHENIC ACID (M-H)- 92729 91868 70110 59059 61343 70528 53161 57948 PHENYLALANINE (M-H)- 746460 1072085 822782 758576 828561 518074 430105 637237 PROPENOIC ACID (M-H)- 4229 1596 7002 13259 4661 5987 7921 9113 PYRUVIC ACID (M-H)- 19949 27913 23192 31151 29066 31794 35675 39328 RAFFINOSE (M+CL)- 31796 31127 49808 75777 37028 48533 75923 71724 RIBOFLAVIN (M+CL)- 36365 28463 24706 18558 10085 12837 9417 13878 RIBOSE (M+CL)- 7009 2679 3922 5360 6553 6418 6470 6786 SALICYLIC ACID (M-H)- 138246 334392 142896 163561 99102 68813 63248 58802 SERINE (M-H)- 10251 8320 14793 28747 12199 27495 38065 27796 SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)- 5602 6728 9840 12980 13267 13409 14719 18343 STACHYOSE (M+CL)- 2668 3519 4678 7603 3952 5360 8692 7140 STEARIC ACID (M-H)- 94576 200025 115100 152020 118345 141422 155292 153999 SUBERIC ACID (M-H)- 3830 5316 6675 5234 4116 13847 5491 8345 SUCCINIC ACID (M-H)- 353775 287649 459158 579774 532018 695456 646291 572163 SUCROSE (M+CL)- 236796 173947 239157 367993 208434 232733 293074 341717 TAURINE (M-H)- 2215 1533 4230 6726 3022 4323 6389 5879 THYMIDINE (M+CL)- 96742 383294 327939 468859 837114 298487 480390 141597 THYMIDINE (M-H)- 2499 8611 9326 14854 24577 10179 16327 4472 TRANS-ACONITIC ACID (M-H)- 489907 604046 1896653 1265728 702044 732396 1296790 1675625 TRYPTOPHAN (2M-H)- 10837 15894 11326 6425 8473 5448 3638 7083 TRYPTOPHAN (M-H)- 92852 130807 131225 111058 99385 87823 92089 111209 TYROSINE (M-H)- 41863 32344 55714 85059 53330 59137 60792 67299 UDP-N-ACETYL-D-GALACTOSAMINE (M-H)- 6769 9113 13025 19322 8343 11945 15762 14740 URIC ACID (M-H)- 49166 37604 66051 153293 49276 40000 110716 162338 URIDINE (M+CL)- 1482661 1353829 2522669 4981082 3072143 3632439 3921492 3845192 URIDINE (M-H)- 99544 93417 145693 229701 158641 160241 160352 161494 URIDINE-5-MONOPHOSPHATE #2 (M-H)- 25292 19520 24785 83980 39778 23853 34077 50450 URIDINE-5-MONOPHOSPHATE (M-H)- 25292 19520 24785 83349 39778 22746 27933 49503 XANTHINE (M-H)- 3629 3145 24470 12359 64782 45148 56745 40923 XANTHOSINE (M-H)- 48768 47760 68099 25127 27460 28363 22093 32497 XANTHURENIC ACID (M-H)- 178505 188493 122381 56672 81432 71066 59046 93903 ZEATIN [ISTD] (M+CL)- 291000 299642 482744 542095 344600 448884 629573 573050 ZEATIN [ISTD] (M-H)- 74234 76494 137565 155482 96367 122226 175766 167526 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1-METHYLURIC ACID (2M-H)- 182.0463 2.184 69726 1-METHYLURIC ACID (M-H)- 182.0423 2.18 69726 18:0 LYSO-PE (M-H)- 481.3184 22.651 9547068 2'-DEOXYINOSINE (M+CL)- 252.0871 2.067 65058 2-METHYLMALEIC ACID (M-H)- 130.0268 1.834 643798 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 162.0523 1.525 1662 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0632 4.411 440877 3-PHOSPHOGLYCERIC ACID (M-H)- 185.9947 0.765 439183 3-SULFINO-L-ALANINE (M-H)- 153.0077 0.617 109 4-ACETAMIDOBUTANOIC ACID (M-H)- 145.0732 1.803 18189 4-HYDROXYBENZOIC ACID (M-H)- 138.0315 4.056 135 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0633 4.826 70 4-NITROPHENOL (M-H)- 139.0266 7.041 980 4-PYRIDOXIC ACID (M-H)- 183.0527 1.85 6723 5'-METHYLTHIOADENOSINE (M+CL)- 297.0906 4.43 439176 5-AMINOPENTANOIC ACID (M-H)- 117.0776 0.708 138 ADENOSINE 5'-MONOPHOSPHATE (2M-H)+ 347.0613 0.928 6083 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 347.0623 0.925 6083 ADIPIC ACID (M-H)- 146.0577 3.579 196 ALLANTOIN (M-H)- 158.0431 0.633 439714 ALPHA-KETO-GLUTARIC ACID (M-H)- 146.0217 0.91 51 ARACHIDIC ACID (M-H)- 312.3034 23.597 10467 ARACHIDONIC ACID (M-H)- 304.2414 22.699 444899 ASPARAGINE (M-H)- 132.0539 0.577 6267 ASPARTIC ACID (M-H)- 133.0374 0.593 5960 AZELAIC ACID (M-H)- 188.1047 10.796 2266 BEHENIC ACID (M-H)- 340.335 24.119 8215 BENZOIC ACID (M-H)- 122.0366 4.926 243 CIS-11-EICOSENOIC ACID (M-H)- 310.2876 23.271 5282768 CYSTINE (M-H)- 240.0249 0.591 6857538 D-GLUCOSAMINE (M+CL)- 179.0794 0.588 439213 D-GLUCOSE 6-PHOSPHATE (M-H)- 260.0315 0.639 5958 DEHYDROASCORBIC ACID (M-H)- 174.0172 0.714 440667 DEOXYURIDINE (M+CL)- 228.076 1.531 13712 DOCOSAHEXAENOIC ACID (M-H)- 328.2422 22.689 445580 DUMP (M-H)- 308.0419 0.983 65063 EPIBRASSINOLIDE [ISTD] (M+CL)- 480.3463 19.904 115196 FUMARIC ACID (M-H)- 116.011 1.219 444972 GLUCARIC ACID (M-H)- 210.0386 0.654 33037 GLUCONIC ACID (M-H)- 196.0586 0.639 10690 GLUCOSE (M+CL)- 180.0643 0.619 5793 GLUCURONIC ACID (M+CL)- 194.0439 0.629 94715 GLUCURONIC ACID (M-H)- 194.042 0.62 94715 GLUTAMIC ACID (M-H)- 147.0536 0.627 33032 GLUTAMINE (M-H)- 146.0698 0.614 5961 GLUTARIC ACID (M-H)- 132.0419 2.018 743 GLYCINE (M-H)- 75.0334 0.584 750 GUANOSINE (M-H)- 283.0922 1.798 6802 HEPTADECANOIC ACID (M-H)- 270.2557 23.01 10465 HEXACOSANOIC ACID (M-H)- 396.3975 25.791 10469 HOMOSERINE (M-H)- 119.0579 0.588 12647 HYODEOXYCHOLIC ACID (M-H)- 392.2959 22.865 5283820 INOSINE (M+CL)- 268.082 1.808 6021 INOSINE (M-H)- 268.0816 1.814 6021 ISOCITRIC ACID (M-H)- 192.0271 0.77 5318532 ISOLEUCINE (M-H)- 131.0942 1.489 6306 KYNURENIC ACID (M-H)- 189.0422 4.984 3845 L-HISTIDINE (M-H)- 155.0696 0.574 6274 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 206.084 3.54 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 138.0445 5.313 227 LAURIC ACID (M-H)- 200.178 21.775 3893 LIGNOCERIC ACID (M-H)- 368.3662 24.828 11197 LINOLEIC ACID (M-H)- 280.2411 22.72 5280450 LYSINE (M-H)- 146.1052 0.507 5962 METHYL BETA-D-GALACTOSIDE (M+CL)- 194.0786 0.698 94214 MYRISTIC ACID (M-H)- 228.2092 22.447 11005 MYRISTOLEIC ACID (M-H)- 226.1937 22.108 5281119 N-ACETYL--GLUTAMIC ACID (M-H)- 189.064 1.286 185 N-ACETYL-ASPARTIC ACID (M-H)- 175.0482 0.955 65065 N-ACETYL-D-GLUCOSAMINE (M+CL)- 221.0906 0.661 446101 N-ACETYL-DL-METHIONINE (M-H)- 191.0616 4.049 448580 N-ACETYL-L-ALANINE (M-H)- 131.0581 1.465 88064 N-ACETYL-L-LEUCINE (M-H)- 173.1047 7.19 75619 N-ACETYLNEURAMINIC ACID (M-H)- 309.107 0.607 444885 N-METHYL-GLUTAMIC ACID (M-H)- 161.0673 0.702 439377 OLEIC ACID (M-H)- 282.2572 22.914 445639 OROTIC ACID (M-H)- 156.017 0.704 967 OXALOACETIC ACID (M-H)-[-H2O] 132.0034 0.515 970 PALMITIC ACID (M-H)- 256.241 22.837 985 PALMITOLEIC ACID (M-H)- 254.2256 22.58 445638 PANTOTHENIC ACID (M+CL)- 219.1111 3.289 6613 PANTOTHENIC ACID (M-H)- 219.1099 3.282 6613 PHENYLALANINE (M-H)- 165.0787 2.455 6140 PROPENOIC ACID (M-H)- 72.0217 1.236 6581 PYRUVIC ACID (M-H)- 88.0163 0.724 1060 RAFFINOSE (M+CL)- 504.1711 0.671 439242 RIBOFLAVIN (M+CL)- 376.1396 7.639 493570 RIBOSE (M+CL)- 150.053 0.662 5779 SALICYLIC ACID (M-H)- 138.0316 3.748 338 SERINE (M-H)- 105.043 0.572 617 SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)- 257.0995 0.611 439285 STACHYOSE (M+CL)- 666.2248 0.674 439531 STEARIC ACID (M-H)- 284.2723 23.176 5281 SUBERIC ACID (M-H)- 174.0889 8.308 10457 SUCCINIC ACID (M-H)- 118.0268 1.308 1110 SUCROSE (M+CL)- 342.1168 0.647 5988 TAURINE (M-H)- 125.0149 0.589 1123 THYMIDINE (M+CL)- 242.091 2.724 5789 THYMIDINE (M-H)- 242.0903 2.727 5789 TRANS-ACONITIC ACID (M-H)- 174.0162 1.216 444212 TRYPTOPHAN (2M-H)- 204.0885 3.546 6305 TRYPTOPHAN (M-H)- 204.0901 3.545 6305 TYROSINE (M-H)- 181.0733 1.278 6057 UDP-N-ACETYL-D-GALACTOSAMINE (M-H)- 607.082 0.912 23724461 URIC ACID (M-H)- 168.0273 0.978 1175 URIDINE (M+CL)- 244.0706 1.353 6029 URIDINE (M-H)- 244.0699 1.386 6029 URIDINE-5-MONOPHOSPHATE #2 (M-H)- 324.0391 0.847 6030 URIDINE-5-MONOPHOSPHATE (M-H)- 324.0421 0.817 6030 XANTHINE (M-H)- 152.033 1.247 1188 XANTHOSINE (M-H)- 284.0764 2.338 64959 XANTHURENIC ACID (M-H)- 205.0377 4.593 5699 ZEATIN [ISTD] (M+CL)- 219.1126 3.82 449093 ZEATIN [ISTD] (M-H)- 219.1122 3.817 449093 METABOLITES_END #END