#METABOLOMICS WORKBENCH araskind_20170619_181603 DATATRACK_ID:1047 STUDY_ID:ST000743 ANALYSIS_ID:AN001160 PROJECT_ID:PR000536 VERSION 1 CREATED_ON July 3, 2017, 2:03 pm #PROJECT PR:PROJECT_TITLE Callaghan Bariatric plasma baseline PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Obesity study with intervention PR:INSTITUTE University of Michigan PR:DEPARTMENT Neurology PR:LABORATORY Feldman Lab PR:LAST_NAME Feldman PR:FIRST_NAME Eva PR:ADDRESS Ann Arbor, MI PR:EMAIL efeldman@umich.edu PR:PHONE 734-763-7274 #STUDY ST:STUDY_TITLE Metabolomics of bariatric weight loss ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Human patients were enrolled in a bariatric weight loss clinic and followed. ST:STUDY_SUMMARY Patients were male and female, normoglycemic,pre-diabetic and diabetic and with ST:STUDY_SUMMARY and without neuropathy. One 500 ul aliquot will be submitted for both untargeted ST:STUDY_SUMMARY metabolomics and shotgun lipidomics. 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 7 ST:TOTAL_SUBJECTS 3 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0016133 S00025568 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016134 S00025569 Gender:male | Glycemic status:pre-diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016135 S00025570 Gender:female | Glycemic status:normoglycemic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025571 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016134 S00025572 Gender:male | Glycemic status:pre-diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025573 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025574 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025575 Gender:male | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025576 Gender:male | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025577 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025578 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025579 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025580 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016135 S00025581 Gender:female | Glycemic status:normoglycemic | Neuropathy:no neuropathy #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 S00025568 S00025569 S00025570 S00025571 S00025572 S00025573 S00025574 S00025575 S00025576 S00025577 S00025578 S00025579 S00025580 S00025581 Factors Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:male | Glycemic status:pre-diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:normoglycemic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:male | Glycemic status:pre-diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:male | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:male | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:normoglycemic | Neuropathy:no neuropathy 1-METHYLADENOSINE (M+CL)- 3872 2499 3015 2947 2144 1786 1787 2444 2302 1-METHYLURIC ACID (2M-H)- 9819 11239 7712 7808 3108 2381 1-METHYLURIC ACID (M-H)- 129094 42829 38625 8843 161686 133950 147326 76583 170951 48423 54422 58104 1-METHYLXANTHINE (M-H)- 631267 21161 23443 3308 5955 557084 579198 206031 733189 30207 242052 350362 842843 16:0 LYSO PC (M+CL)- 19749 16453 15840 19226 14497 36465 36050 15435 12895 44690 43905 46589 19818 18648 16:0-18:0 PC (M+CL)- 14442 14343 8900 12063 20505 15892 14135 16354 14534 14983 11957 12357 16924 8639 18:0 LYSO-PE (M-H)- 8999959 867050 751180 380849 730637 810238 1067215 2-DEOXY-D-GLUCOSE (M+CL)- 21682 8620 1963 4751 57869 3396 654 28881 7220 12084 26925 1718 786 92130 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 531198 587132 581085 1130087 360160 502943 347589 489833 3083399 630243 205398 710508 648551 581538 2-HYDROXYBUTYRIC ACID (M-H)- 139521 168868 266789 627523 172239 296726 113288 425289 255107 143411 239986 293085 424885 111010 2-METHYLMALEIC ACID (M-H)- 21156 12706 32519 24777 5186 42511 14868 22635 66594 24886 11904 11361 24:0 SM (D18:1/24:0) (M+CL)- 1273412 1552542 2397635 6911213 195694 204665 196240 207046 238209 262146 391113 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 22305 37350 15869 11511 15655 21974 17858 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 200077 171266 297243 366565 92772 370238 297637 444348 270346 339148 204748 334996 185814 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 2105333 3213327 3407324 4225698 3799366 3264361 2166137 2663969 3344586 1759509 3905035 3292590 2835154 1843412 3-METHYLXANTHINE (M-H)- 630824 99007 158228 204598 1111 556833 578913 169363 732981 61554 241973 350258 842255 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 2688757 4733050 4860324 5959610 4978358 4117889 2889528 4370131 3658898 2372537 5523247 4574641 4688088 2925346 4-PYRIDOXIC ACID (M-H)- 167092 69933 80108 288866 347341 64290 333651 77543 97634 108179 443475 306942 192568 85236 5-HYDROXY OMEPRAZOLE (M-H)- 42987 23358 ACETAMINOPHEN (TN TYLENOL) (M-H)- 51715 ADIPIC ACID (M-H)- 39243 29204 37746 62654 25509 36339 90209 33125 37034 26315 104893 25805 49769 39165 ARACHIDONIC ACID (M-H)- 1783818 2050652 21653312 254586704 1609570 311928 225535 259771 394915 339114 1212459 554227 AZELAIC ACID (M-H)- 13890 13634 13176 18145 16694 335392 11609 12379 27307 12547 28889 17421 12661 11664 CHOLIC ACID (M-H)- 6062 3983 2308 37344 25220 24840 1710 CIS-11-EICOSENOIC ACID (M-H)- 19411 22074 97920 86737 76552 33219 16510 3023 1032 1587 4105 3179 12782 8518 CITRAMALIC ACID (M-H)- 95801 45863 26497 81590 42308 147161 32425 56812 35912 202448 62185 43113 28359 CITRIC ACID (M-H)- 2235964 1887933 1810542 1759606 1685619 40983 2223393 1778230 2367852 3725230 3504557 3023461 3314008 2752488 CORTISOL (M+CL)- 78426 49128 30619 50354 29111 81860 16736 30610 53510 24979 25375 64253 41710 30233 CORTISONE (M+CL)- 20064 24424 10980 11624 16768 27036 15891 35050 10185 7160 18073 12566 15343 DEHYDROEPIANDROSTERONE SULFATE (M-H)- 517676 790904 1521235 1635875 428340 1921093 76111 465548 241755 572063 79107 267842 714839 1030372 DEOXYADENOSINE (M+CL)- 13522 21132 25953 45976 13846 21209 10024 37231 22085 19866 13391 30769 36463 14378 DEOXYCHOLIC ACID (2M-H)- 3454 1897 1680 1968 6269 2889 2733 DEOXYCHOLIC ACID (M+CL)- 18561 13022 1346 12197 5714 6710 13120 25823 6194 5276 2704 16919 6949 18636 DEOXYCHOLIC ACID (M-H)- 48555 35473 3180 33321 18321 20621 35422 69049 17311 15343 6621 46404 19163 46552 DEOXYURIDINE (M+CL)- 44825 87221 51099 71526 111668 153950 102650 80462 60446 54689 76264 75334 87024 73631 DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)- 35638 25212 22084 95561 27117 19652 42333 17409 13189 19218 21239 18778 22356 36550 DOCOSAHEXAENOIC ACID (M-H)- 1881438 3325228 3495245 790045 261226 569331 402559 364191 1156002 418444 EPIBRASSINOLIDE [ISTD] (M+CL)- 406901 388915 448948 444477 432900 393048 420025 384164 371205 394047 390628 379730 394709 400629 GALACTARIC ACID (M-H)- 7590 10435 9471 10192 9985 10330 GLUCONIC ACID (M-H)- 5223 4451 5107 4065 3962 2678 2963 4968 9023 5217 2012 9515 5934 6911 GLUCOSE (M+CL)- 591315 722689 831843 676231 685356 1231678 370314 666707 701284 746681 232309 669312 708559 767110 GLYCOCHOLIC ACID (M-H)- 11924 11735 20944 5802 12218 14689 11741 14702 16687 10998 1213 34259 38809 256524 HIPPURIC ACID (M-H)- 140384 79530 41141 22778 256113 54534 194965 311531 2719288 117274 266015 189693 57697 24716 HYODEOXYCHOLIC ACID (M-H)- 190518 88086 275784 272228 247116 193196 134941 80647 28294 55983 73154 56928 114084 113781 IBUPROFEN (M-H)- 36323 382483 14263 IBUPROFEN CARBOXYLIC ACID (M-H)- 1689 5032 206531 457492 58954 ISOCITRIC ACID (M-H)- 19435742 103716248 59247456 26541320 17417600 9652640 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 51573 72430 71761 69079 69380 61057 50826 57529 44660 69506 75161 63580 73541 68163 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 69023 72345 70215 65769 65223 56681 57241 83673 96352 84762 91958 89820 81808 74400 LINOLEIC ACID (M-H)- 830606 519891 1421896 793276 795705 262255 200027 95495 82386 56339 151683 158794 302100 226628 MALIC ACID (M-H)- 138658 82394 90200 74548 70942 4532 67848 55349 75169 58119 28022 63525 83983 66943 METHYLMALONIC ACID (M-H)- 67455 56036 53364 73019 97667 23978 56098 80602 23692 59494 72024 66054 66302 86328 MYRISTIC ACID (M-H)- 36591 63636 505176 73748 24949 7723 1701 3926 6846 5478 17353 19011 MYRISTOLEIC ACID (M-H)- 1918 2001 3094 2014 1568 3767 7132 31493 13483 13132 8299 N-ACETYL-D-GLUCOSAMINE (M+CL)- 6480 8840 17981 7847 10464 32837 2374 15024 6609 10309 10160 N-ACETYL-L-ALANINE (M-H)- 209869 188103 219346 209348 174931 222261 156608 222257 138631 170127 184084 173354 302722 113873 NERVONIC ACID (M-H)- 20571 89467 1730 1082 1157 2397 2099 4491 4119 OLEIC ACID (M-H)- 1518948 1209034 5387791 3386292 1951407 898190 682608 113297 33475 94771 256132 175677 503026 403031 OXALOACETIC ACID (M-H)-[-H2O] 16429 15714 17312 18398 19399 44665 25697 8759 18560 17653 8891 12963 4611 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- 10630 698544 PALMITIC ACID (M-H)- 121373 114025 336483 178393 128595 61486 49106 7990 3270 11250 19879 14019 45233 46227 PALMITOLEIC ACID (M-H)- 353072 300695 380849 133651 23179 3037 13922 40435 23347 101682 91116 PANTOTHENIC ACID (M-H)- 17066 10374 9300 38081 16736 15371 18286 6002 12408 47828 32867 25777 11182 PHENYLALANINE (M-H)- 335078 692295 538395 546238 609374 640282 293989 458618 414414 251646 47272 346564 459906 348554 PHENYLPYRUVIC ACID (M-H)- 5857 8148 9494 3801 4941 1179 1137 1171 396 1395 PYRUVIC ACID (M-H)- 3958 49635 39049 72750 41843 18195 14403 110183 20380 7044 4024 23978 RIBITOL (M+CL)- 185200 161770 212759 187621 165682 169178 163375 145930 136169 160085 191896 101850 156611 147762 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 4231 4507 3849 5721 7847 5954 2305 4359 1800 7060 8702 4505 2936 SALICYLATE #2 (M-H)- 18203 148846 29103 8925 709408 87666 87379 2945322 17580 788517 24754 16122 19251 149877 SALICYLURIC ACID (M-H)- 5761 46661 4149 5710 137536 38933 4401 STEARIC ACID (M-H)- 184770 221712 761736 638477 537921 132257 63785 22675 12094 15913 23998 23395 60934 56284 SUCCINIC ACID (M-H)- 184935 161248 193229 183170 162076 161489 92912 143442 183079 151425 184026 74065 153470 143824 SUCROSE (M+CL)- 3622 2647 4962 2520 2997 1944 4347 4006 4378 3232 3352 SULFADIMETHOXINE (M-H)- 17795 23709 18744 15219 16622 13298 12894 12903 11443 13800 16462 11658 6837 7632 THEOPHYLLINE (M-H)- 50973 12300 33191 2188 5488 41004 62688 98418 209694 90285 59087 188373 92317 THYROXINE (M-H)- 5772 3682 4404 3890 3811 3109 5569 3923 3986 4130 5818 3555 5171 3591 TRANS-ACONITIC ACID (M-H)- 875042 859600 916636 1780286 1190335 3391714 1957160 2622574 1203703 3515377 1568590 1928719 968275 TRYPTOPHAN (2M-H)- 55323 157842 104346 113159 169031 130361 67289 102225 50147 113644 110041 90423 105663 105018 TRYPTOPHAN (M-H)- 336127 739039 555471 567397 749637 617223 380630 539977 313116 611914 599029 513459 571262 564685 TYROSINE (M-H)- 32185 61969 32419 22934 52503 48167 18119 40419 35489 38974 16983 39030 29659 41342 URIC ACID (M-H)- 1603566 1755934 1386702 1707436 1582693 1651663 1192640 1632712 1245060 1432633 785874 1114695 1297313 1679687 URIDINE (M+CL)- 3137207 5376756 5288411 4320724 4659748 2735655 2983165 4341873 1049430 4450638 1558782 2318525 4888274 4366741 URIDINE (M-H)- 135628 1517407 232815 48636 53250 57288 131060 125594 XANTHINE (M-H)- 106959 225985 134385 95270 183399 276657 60186 140166 142883 57573 124089 118545 121436 XANTHOSINE (M-H)- 1635 1734 2462 1419 2331 1215 333169 ZEATIN [ISTD] (M+CL)- 539032 508488 510134 511685 542977 414301 496262 445901 498481 489449 578330 507903 561462 524727 ZEATIN [ISTD] (M-H)- 203536 170644 184460 192657 180255 154352 167204 154376 178567 177578 180137 185701 211061 193986 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-METHYLADENOSINE (M+CL)- 281.1122 2.997 27476 1-METHYLURIC ACID (2M-H)- 182.0452 2.192 69726 1-METHYLURIC ACID (M-H)- 182.0436 2.184 69726 1-METHYLXANTHINE (M-H)- 166.0497 2.493 80220 16:0 LYSO PC (M+CL)- 495.3354 22.225 460602 16:0-18:0 PC (M+CL)- 761.6043 25.469 18631368 18:0 LYSO-PE (M-H)- 481.3198 22.659 9547068 2-DEOXY-D-GLUCOSE (M+CL)- 164.0691 0.692 439268 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 118.063 3.497 853180 2-HYDROXYBUTYRIC ACID (M-H)- 104.0476 1.765 11266 2-METHYLMALEIC ACID (M-H)- 130.0267 1.845 643798 24:0 SM (D18:1/24:0) (M+CL)- 814.6935 27.832 44260127 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 182.0576 3.822 440177 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 162.0521 1.523 1662 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0633 4.432 440877 3-METHYLXANTHINE (M-H)- 166.0499 2.429 70639 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0633 4.836 70 4-PYRIDOXIC ACID (M-H)- 183.0531 1.862 6723 5-HYDROXY OMEPRAZOLE (M-H)- 361.1108 12.32 119560 ACETAMINOPHEN (TN TYLENOL) (M-H)- 151.0629 3.072 1983 ADIPIC ACID (M-H)- 146.0581 3.593 196 ARACHIDONIC ACID (M-H)- 304.2417 22.705 444899 AZELAIC ACID (M-H)- 188.1048 10.82 2266 CHOLIC ACID (M-H)- 408.2881 20.486 221493 CIS-11-EICOSENOIC ACID (M-H)- 310.2879 23.265 5282768 CITRAMALIC ACID (M-H)- 148.037 1.401 441696 CITRIC ACID (M-H)- 192.0271 1.021 311 CORTISOL (M+CL)- 362.2108 13.924 5754 CORTISONE (M+CL)- 360.1946 13.503 222786 DEHYDROEPIANDROSTERONE SULFATE (M-H)- 368.1673 15.47 12594 DEOXYADENOSINE (M+CL)- 251.1011 1.783 13730 DEOXYCHOLIC ACID (2M-H)- 392.2912 21.749 222528 DEOXYCHOLIC ACID (M+CL)- 392.2934 21.752 222528 DEOXYCHOLIC ACID (M-H)- 392.2939 21.753 222528 DEOXYURIDINE (M+CL)- 228.0743 1.55 13712 DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)- 691.5161 24.649 445468 DOCOSAHEXAENOIC ACID (M-H)- 328.242 22.698 445580 EPIBRASSINOLIDE [ISTD] (M+CL)- 480.3466 19.934 115196 GALACTARIC ACID (M-H)- 210.0373 0.793 3037582 GLUCONIC ACID (M-H)- 196.0581 0.652 10690 GLUCOSE (M+CL)- 180.0642 0.645 5793 GLYCOCHOLIC ACID (M-H)- 465.3101 18.994 10140 HIPPURIC ACID (M-H)- 179.0583 4.826 464 HYODEOXYCHOLIC ACID (M-H)- 392.2969 22.862 5283820 IBUPROFEN (M-H)- 206.1307 18.951 114864 IBUPROFEN CARBOXYLIC ACID (M-H)- 236.1052 13.084 10444113 ISOCITRIC ACID (M-H)- 192.0266 0.771 5318532 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 206.0845 3.565 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 138.0445 5.33 227 LINOLEIC ACID (M-H)- 280.2416 22.719 5280450 MALIC ACID (M-H)- 134.0208 0.802 222656 METHYLMALONIC ACID (M-H)- 118.0263 1.497 487 MYRISTIC ACID (M-H)- 228.2091 22.454 11005 MYRISTOLEIC ACID (M-H)- 226.1934 22.073 5281119 N-ACETYL-D-GLUCOSAMINE (M+CL)- 221.0918 0.649 446101 N-ACETYL-L-ALANINE (M-H)- 131.0578 1.489 88064 NERVONIC ACID (M-H)- 366.3512 24.203 5281120 OLEIC ACID (M-H)- 282.2572 22.922 445639 OXALOACETIC ACID (M-H)-[-H2O] 132.0034 0.534 970 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- 327.0965 2.245 83944 PALMITIC ACID (M-H)- 256.2413 22.842 985 PALMITOLEIC ACID (M-H)- 254.2253 22.581 445638 PANTOTHENIC ACID (M-H)- 219.1108 3.295 6613 PHENYLALANINE (M-H)- 165.0786 2.468 6140 PHENYLPYRUVIC ACID (M-H)- 164.0468 5.483 997 PYRUVIC ACID (M-H)- 88.0161 0.73 1060 RIBITOL (M+CL)- 152.0667 0.638 94154 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 384.1183 1.49 439155 SALICYLATE #2 (M-H)- 138.0316 8.295 338 SALICYLURIC ACID (M-H)- 195.053 6.266 10253 STEARIC ACID (M-H)- 284.2726 23.187 5281 SUCCINIC ACID (M-H)- 118.0263 1.31 1110 SUCROSE (M+CL)- 342.1182 0.649 5988 SULFADIMETHOXINE (M-H)- 310.0742 9.376 5323 THEOPHYLLINE (M-H)- 180.0646 4.438 2153 THYROXINE (M-H)- 776.686 16.238 5819 TRANS-ACONITIC ACID (M-H)- 174.0163 1.198 444212 TRYPTOPHAN (2M-H)- 204.088 3.565 6305 TRYPTOPHAN (M-H)- 204.0901 3.565 6305 TYROSINE (M-H)- 181.0727 1.29 6057 URIC ACID (M-H)- 168.028 0.95 1175 URIDINE (M+CL)- 244.0704 1.329 6029 URIDINE (M-H)- 244.0699 1.352 6029 XANTHINE (M-H)- 152.0331 1.27 1188 XANTHOSINE (M-H)- 284.077 2.394 64959 ZEATIN [ISTD] (M+CL)- 219.1127 3.839 449093 ZEATIN [ISTD] (M-H)- 219.1123 3.839 449093 METABOLITES_END #END