#METABOLOMICS WORKBENCH maloyan_20230721_085108 DATATRACK_ID:4180 STUDY_ID:ST002803 ANALYSIS_ID:AN004559 PROJECT_ID:PR001750 VERSION 1 CREATED_ON July 31, 2023, 10:17 am #PROJECT PR:PROJECT_TITLE Metabolic abnormalities in the bone marrow of the newly weaned offspring of PR:PROJECT_TITLE obese mothers PR:PROJECT_SUMMARY Obese mothers predispose their babies to develop metabolic disorders and obesity PR:PROJECT_SUMMARY before they are even born. The study used a mouse model of maternal high-fat PR:PROJECT_SUMMARY diet-induced obesity that recapitulates cardiovascular and metabolic PR:PROJECT_SUMMARY abnormalities seen in humans born to obese mothers. to compare the metabolic PR:PROJECT_SUMMARY characteristics of bone marrow cells in newly weaned mice. The results showed PR:PROJECT_SUMMARY that the bone marrow of offspring born to mothers on a high-fat diet primarily PR:PROJECT_SUMMARY used glucose through OXPHOS, and presented decreased amino acid metabolism. PR:PROJECT_SUMMARY These metabolic changes were observed in the bone marrow of the offspring at a PR:PROJECT_SUMMARY very young age, before any symptomatic metabolic disease was present. PR:INSTITUTE Oregon Health and Science University PR:DEPARTMENT Knight Cardiovascular Institute PR:LABORATORY Maloyan laboratory PR:LAST_NAME Maloyan PR:FIRST_NAME Alina PR:ADDRESS 3181 S.W. Sam Jackson Park Road, Portland, Oregon, 97239-3098, USA PR:EMAIL maloyan@ohsu.edu PR:PHONE 503-494-0012 PR:FUNDING_SOURCE NIH HD099367, NIDDK Mouse Metabolic Phenotyping Centers (National MMPC, PR:FUNDING_SOURCE RRID:SCR_008997, www.mmpc.org) under the MICROMouse Program, grants DK076169 #STUDY ST:STUDY_TITLE Early life metabolic abnormalities in the bone marrow of the offspring of obese ST:STUDY_TITLE mothers ST:STUDY_SUMMARY Obese mothers predispose their babies to develop metabolic disorders and obesity ST:STUDY_SUMMARY before they are even born. The study used a mouse model of maternal high-fat ST:STUDY_SUMMARY diet-induced obesity that recapitulates cardiovascular and metabolic ST:STUDY_SUMMARY abnormalities seen in humans born to obese mothers. to compare the metabolic ST:STUDY_SUMMARY characteristics of bone marrow cells in newly weaned mice. The results showed ST:STUDY_SUMMARY that the bone marrow of offspring born to mothers on a high-fat diet primarily ST:STUDY_SUMMARY used glucose through OXPHOS and presented decreased amino acid metabolism. These ST:STUDY_SUMMARY metabolic changes were observed in the bone marrow of the offspring at a very ST:STUDY_SUMMARY young age before any symptomatic metabolic disease was present. ST:INSTITUTE Oregon Health and Science University ST:DEPARTMENT Knight Cardiovascular Institute ST:LABORATORY Maloyan Lab ST:LAST_NAME Maloyan ST:FIRST_NAME Alina ST:ADDRESS 3181 S.W. Sam Jackson Park Road, Portland, Oregon, 97239-3098, USA ST:EMAIL maloyan@ohsu.edu ST:PHONE 503-494-0012 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN n/a SU:AGE_OR_AGE_RANGE 3 weeks SU:WEIGHT_OR_WEIGHT_RANGE not specified SU:HEIGHT_OR_HEIGHT_RANGE not specified SU:GENDER Male and female SU:ANIMAL_HOUSING regular housing SU:ANIMAL_FEED regular diet SU:ANIMAL_WATER ad libitum #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 B9_001_9 B9_001 Treatment Group:M off-HFD RAW_FILE_NAME=201202bDTsa02_1.cdf SUBJECT_SAMPLE_FACTORS B11_002_11 B11_002 Treatment Group:M off-HFD RAW_FILE_NAME=201202bDTsa19_1.cdf SUBJECT_SAMPLE_FACTORS B17_003_17 B17_003 Treatment Group:M off-HFD RAW_FILE_NAME=201202bDTsa12_1.cdf SUBJECT_SAMPLE_FACTORS B19_004_19 B19_004 Treatment Group:M off-HFD RAW_FILE_NAME=201202bDTsa04_1.cdf SUBJECT_SAMPLE_FACTORS B21_005_21 B21_005 Treatment Group:M off-HFD RAW_FILE_NAME=201202bDTsa15_1.cdf SUBJECT_SAMPLE_FACTORS B4_006_4 B4_006 Treatment Group:F off-HFD RAW_FILE_NAME=201202bDTsa16_1.cdf SUBJECT_SAMPLE_FACTORS B10_007_10 B10_007 Treatment Group:F off-HFD RAW_FILE_NAME=201202bDTsa03_1.cdf SUBJECT_SAMPLE_FACTORS B12_008_12 B12_008 Treatment Group:F off-HFD RAW_FILE_NAME=201202bDTsa20_1.cdf SUBJECT_SAMPLE_FACTORS B18_009_18 B18_009 Treatment Group:F off-HFD RAW_FILE_NAME=201202bDTsa05_1.cdf SUBJECT_SAMPLE_FACTORS B20_010_20 B20_010 Treatment Group:F off-HFD RAW_FILE_NAME=201202bDTsa17_1.cdf SUBJECT_SAMPLE_FACTORS B48_011_48 B48_011 Treatment Group:M off-RD RAW_FILE_NAME=201202bDTsa08_1.cdf SUBJECT_SAMPLE_FACTORS B49_012_49 B49_012 Treatment Group:M off-RD RAW_FILE_NAME=201202bDTsa06_1.cdf SUBJECT_SAMPLE_FACTORS B50_013_50 B50_013 Treatment Group:M off-RD RAW_FILE_NAME=201202bDTsa18_1.cdf SUBJECT_SAMPLE_FACTORS B51_014_51 B51_014 Treatment Group:M off-RD RAW_FILE_NAME=201202bDTsa10_1.cdf SUBJECT_SAMPLE_FACTORS B52_015_52 B52_015 Treatment Group:M off-RD RAW_FILE_NAME=201202bDTsa07_1.cdf SUBJECT_SAMPLE_FACTORS B53_016_53 B53_016 Treatment Group:F off-RD RAW_FILE_NAME=201202bDTsa01_1.cdf SUBJECT_SAMPLE_FACTORS B54_017_54 B54_017 Treatment Group:F off-RD RAW_FILE_NAME=201202bDTsa09_1.cdf SUBJECT_SAMPLE_FACTORS B55_018_55 B55_018 Treatment Group:F off-RD RAW_FILE_NAME=201202bDTsa13_1.cdf SUBJECT_SAMPLE_FACTORS B56_019_56 B56_019 Treatment Group:F off-RD RAW_FILE_NAME=201202bDTsa14_1.cdf SUBJECT_SAMPLE_FACTORS B57_020_57 B57_020 Treatment Group:F off-RD RAW_FILE_NAME=201202bDTsa11_1.cdf #COLLECTION CO:COLLECTION_SUMMARY Bone marrow cells were isolated as previously reported (35). Briefly, femurs CO:COLLECTION_SUMMARY were flushed by 25G5/8 needle with medium containing RPMI1640+2% FBS+10 units/ml CO:COLLECTION_SUMMARY Heparin + penicillin and streptomycin. Bits of bones were removed using a CO:COLLECTION_SUMMARY sterile 4um nylon cell strainer (Falcon 352340). Cells were dissolved in 50 ml CO:COLLECTION_SUMMARY medium and centrifuged at 2000 rpm (900x g), for 10 minutes at 4oC. Cell pellets CO:COLLECTION_SUMMARY were then washed twice with 50 ml of serum-free RPMI (RPMI1640+20mM Hepes + CO:COLLECTION_SUMMARY penicillin and streptomycin, adjusted to pH 7.4 before filtering), centrifuged CO:COLLECTION_SUMMARY at 2000 rpm, at 4oC for 5 minutes, and resuspended in 25 ml of serum-free RPMI. CO:SAMPLE_TYPE Bone marrow #TREATMENT TR:TREATMENT_SUMMARY To induce maternal obesity, high-fat diet (Teklad Cat#TD.06415) or its control, TR:TREATMENT_SUMMARY a regular diet (RD, PicoLab® Laboratory Rodent Diet Cat # 5L0D) was given to TR:TREATMENT_SUMMARY virgin female FVB/NJ mice from the six-weeks of age and throughout the entire TR:TREATMENT_SUMMARY study. After eight weeks of dietary intervention, RD- and HFD-fed female mice TR:TREATMENT_SUMMARY were bred to an age-matched RD-fed male. At weaning, male and female offspring TR:TREATMENT_SUMMARY from each mother were randomly selected for the study. The offspring were fed a TR:TREATMENT_SUMMARY regular diet only starting from weaning and throughout their life. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Full sample was extracted using Matyash extraction procedure which includes SP:SAMPLEPREP_SUMMARY MTBE, MeOH, and H2O. The organic (upper) phase was dried down and submitted for SP:SAMPLEPREP_SUMMARY resuspension and injection onto the LC while the aqueous (bottom) phase was SP:SAMPLEPREP_SUMMARY dried down and submitted to derivatization for GC. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Restek Rtx-5Sil (30m x 0.25mm,0.25um) CH:SOLVENT_A - CH:SOLVENT_B - CH:FLOW_GRADIENT - CH:FLOW_RATE 1 mL/min CH:COLUMN_TEMPERATURE 275 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco GC-TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS Scan range of m/z 120-1200 Da with an acquisition speed of 2 spectra/s. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS quant m/z MS_METABOLITE_DATA_START Samples B10_007 B12_008 B18_009 B20_010 B4_006 B11_002 B17_003 B19_004 B21_005 B9_001 B53_016 B54_017 B55_018 B56_019 B57_020 B48_011 B49_012 B50_013 B51_014 B52_015 Factors Treatment Group:F off-HFD Treatment Group:F off-HFD Treatment Group:F off-HFD Treatment Group:F off-HFD Treatment Group:F off-HFD Treatment Group:M off-HFD Treatment Group:M off-HFD Treatment Group:M off-HFD Treatment Group:M off-HFD Treatment Group:M off-HFD Treatment Group:F off-RD Treatment Group:F off-RD Treatment Group:F off-RD Treatment Group:F off-RD Treatment Group:F off-RD Treatment Group:M off-RD Treatment Group:M off-RD Treatment Group:M off-RD Treatment Group:M off-RD Treatment Group:M off-RD xylose 387 304 311 430 177 440 432 475 687 471 284 285 168 142 276 282 250 233 297 166 xylitol 2774 2054 2394 2112 2181 2202 2135 3703 3216 2567 2947 2490 2752 2678 2251 2511 2454 2520 2536 2451 xanthine 2292 2729 2732 3889 887 2883 4086 6942 5801 2395 2246 1963 2190 2792 1947 2304 2068 2106 2094 1655 valine 59188 74852 61622 64089 45118 111036 78556 89890 68689 97691 193403 327377 182012 283692 324491 292783 307662 193037 285649 301878 uridine 899 771 557 849 462 1634 1045 1159 1482 511 72 66 76 98 28 46 64 57 66 80 uric acid 845 1123 937 1465 467 958 1330 1973 1436 2395 2115 2432 2356 2436 2102 2159 2175 1969 2292 2055 urea 28022 26810 3646 1232 586 38672 239 368 374 29997 144511 146373 155566 144438 120954 140600 147152 122248 164324 144531 uracil 13312 16712 18527 11111 15260 18880 13221 21165 14817 8689 2358 3808 5230 5788 2371 4657 4644 5090 3746 4639 undecanoic acid 11228 7521 10107 5338 12702 6296 10103 10829 8806 4821 3235 1155 1375 3946 1233 3716 3095 2175 3739 2672 UDP-N-acetylglucosamine 4441 3417 2143 4675 2810 4299 6268 10728 6385 4218 429 442 384 920 189 456 406 182 348 1088 tyrosine 54937 69037 83859 10432 18456 52749 108410 147185 95774 56555 344215 298713 315032 284326 311026 289343 293386 335113 333695 303173 tryptophan 16699 23310 18454 18633 7845 18103 22249 29367 23351 15444 44178 41259 50437 49567 49196 49382 46600 57755 46127 46361 trans-4-hydroxyproline 31969 29320 41943 42277 20547 61855 79647 75387 77649 53233 186543 259114 175059 170556 132229 175790 186716 199411 266380 89514 thymine 11496 11293 6543 9086 4051 13233 13059 21159 11124 12264 486 902 976 1764 489 721 661 563 351 659 thymidine-5-phosphate 2268 2362 1754 2045 849 2315 2833 3982 2518 1367 160 150 158 190 89 153 258 222 58 112 thymidine 70279 6446 5300 6085 3981 10482 7705 11620 7739 5808 1025 1155 1270 2090 903 828 1136 1034 844 845 threonine 20533 35250 26148 28607 18499 36139 39679 48440 31736 30938 41425 89298 43006 64692 68821 56081 66963 44936 70570 61570 threonic acid 10656 9555 14630 15238 7619 12288 22245 31394 20792 15697 2024 3693 2904 3569 2044 3196 2899 1769 1738 1814 threitol 601 500 512 490 408 735 509 993 939 770 1318 1281 1221 1273 978 885 1100 1244 114 747 taurine 37607 39614 81191 122828 6641 38386 273666 289841 185649 114209 31 5281 20 6694 17 2146 18 31 14 38 sucrose 381 835 2326 415 521 345 917 642 636 830 83 7 83 86 54 90 82 67 70 68 succinic acid 11669 12436 10408 8272 8436 11735 10681 15620 11678 15565 17834 17946 15585 12693 14569 13921 14967 15357 20352 14415 spermine 1917 1830 2385 3115 3761 1838 1638 2068 4436 1144 672 1727 813 1319 848 1195 1198 513 334 607 spermidine 149220 121215 141013 137817 108310 132240 107145 196029 169201 157588 7457 27319 21420 39262 12403 25837 24207 8902 5504 11371 sorbitol 17711 16436 17243 11522 1897 13024 9000 16059 7473 13768 218342 168565 189983 173287 180332 184050 177157 194634 193655 190132 serotonin 6989 10838 5748 9848 8978 15811 7046 8315 11601 9145 631 580 1165 1705 1046 1619 1308 453 249 804 serine 113774 214801 133538 190822 79795 160961 258838 281996 171935 104740 261740 355036 293181 293573 293033 277205 289227 302962 369728 280295 ribose-5-phosphate 2125 2150 3486 4264 2219 2302 3049 6098 3144 1944 998 811 887 828 816 848 870 832 895 852 ribose 5727 2246 5492 5508 1897 6750 5955 10526 6211 3899 12429 12047 11467 19534 10546 6933 9402 11015 8982 8757 ribitol 1673 1387 1485 1398 317 1462 1596 1997 1072 1210 7382 6761 6823 6028 6076 6029 6065 6488 6882 6532 pyruvic acid 116286 107752 6214 8592 141118 86695 40808 37920 40537 71973 2008 4477 3231 5261 2525 4519 3929 2277 1480 2371 pyrophosphate 237210 314141 599635 697384 597834 319916 650376 730434 660584 358343 2724 3073 6687 14882 3849 6607 5516 2617 1176 3344 putrescine 225554 257316 212888 196496 168698 416966 186985 368807 263754 333253 8522 26843 16410 32606 13152 21682 20729 10013 10272 12192 pseudo uridine 506 743 726 426 355 395 335 886 626 1798 2359 1783 1967 1774 1958 1919 1953 2186 2191 2047 proline 60510 61081 58657 71078 56627 78883 96642 128291 85450 113586 80187 326649 87961 217468 233525 178598 248783 90341 203001 192685 phytosphingosine 488 280 347 292 451 145 131 244 508 360 736 149 894 457 555 496 1209 935 105 925 phosphoethanolamine 52234 38471 76142 124230 56159 76046 159756 171542 190686 59461 3266 13305 10190 19717 6090 10626 11585 3468 2607 4474 phosphoenolpyruvate 3489 6230 5492 11731 1574 8248 12150 11536 12914 4360 1138 2522 1728 2155 1051 2253 1472 684 824 712 phosphate 6571984 6579256 6442799 6104752 8483831 5479537 4726603 2374497 5047143 5914589 635817 386635 991283 943240 675650 926937 846547 707442 215439 915897 phenylalanine 21944 44233 44310 52093 12976 30769 70257 83114 61796 29333 111365 101605 104653 100779 101232 99029 96131 105277 110775 103292 phenol 38941 23585 29616 12477 26656 21753 24191 39352 31583 28300 8554 4651 3568 1055 3617 1659 861 5427 6342 6475 parabanic acid 4620 4528 2915 1828 6088 17250 3920 4184 3923 5757 677 898 757 883 570 578 748 719 479 855 pantothenic acid 1119 907 827 1137 698 1021 883 1825 1590 1165 1695 1559 1273 1626 1237 1460 1636 1379 1558 1524 palmitoleic acid 446 715 512 316 441 386 243 475 262 2152 51 22 83 42 61 36 26 32 20 58 oxoproline 896928 950208 986086 993258 375293 958168 1302484 1706833 1082544 965960 2267265 2407252 2029186 1857255 2046876 1907961 2064641 2071432 2587205 1977237 oxalic acid 47996 64538 13264 12414 37278 129298 17731 19875 19294 38812 455 656 546 799 392 700 451 401 469 820 ornithine 64558 76514 65574 72160 23110 70271 111451 129479 96481 67573 583422 733871 557740 509249 556966 526994 516347 632149 715784 475694 nicotinamide 12383 15901 15631 19411 6684 20773 29279 39334 24274 16365 6957 7401 7512 6828 6464 8124 7342 5874 5931 6160 myo-inositol 134325 99468 128010 113355 43350 128336 110661 158704 102892 116062 617051 362015 525714 504159 496691 509843 507459 535733 413713 537565 methionine sulfoxide 9877 10510 8110 8809 5755 14667 8981 13284 10575 10026 18200 11312 6704 9088 9891 8878 7598 9859 11918 8132 methionine 23742 25667 28867 36722 17242 28236 49770 58621 39383 23794 72562 91169 69563 71687 77348 71713 74294 74668 95063 75407 methanolphosphate 471152 311376 335305 247942 132177 462633 322596 700056 381859 382729 31450 56059 46132 141820 27512 48921 49013 27567 19300 28597 mannose 1857 2106 1668 1903 586 663 1750 2003 1149 1342 5498 3312 6926 6864 3470 5804 4495 5273 2686 962 mannitol 2429 2298 1750 1370 365 2106 1445 1605 1257 1803 19109 20808 17272 14301 17420 9115 15729 5716 23836 16150 maltose 601 799 1115 912 570 1121 1002 1533 1005 775 1450 629 1039 1340 1608 495 629 742 959 214 malic acid 34154 37268 16595 22633 24705 48364 40477 43304 11134 43319 4602 4890 4375 7153 3787 4890 3929 3847 3733 3457 maleimide 27034 22670 71678 69917 25898 21490 87572 9938 87804 38762 4015 1363 8274 15611 15079 12968 7485 4879 2652 14231 lyxose 685 747 1206 873 553 1734 1827 2264 1149 876 1534 1356 988 839 1188 1268 960 365 1147 301 lyxitol 6602 5287 6122 5327 4212 6387 5296 8053 6390 6223 17237 16170 16039 13643 15175 15607 1508 15938 16749 14556 lysine 6870 7113 5547 5437 2074 6659 5924 9201 7114 6198 51403 53664 47237 37468 48900 43444 43326 51586 58926 46362 levoglucosan 2691 1323 4628 2302 1644 1462 2054 4600 2180 1955 2943 930 673 707 650 756 520 656 2856 2601 leucine 210170 170500 231342 257261 106349 253830 280647 353140 269581 214872 752055 850399 753473 906848 1002673 869744 969296 759584 851761 953585 lactic acid 172486 148121 119886 129363 40588 172292 175348 200290 127202 175812 229026 319169 278283 257019 270988 309174 266050 341907 125554 266242 kynurenine 518 332 292 225 446 272 320 713 564 284 436 164 425 560 403 458 510 526 181 78 isothreonic acid 2197 1838 667 1749 446 1612 1777 2770 2108 1848 8553 8656 7212 6513 6738 6688 6998 7884 9505 5140 isomaltose 506 344 448 383 398 359 320 404 318 415 369 154 259 351 360 440 443 304 146 89 isoleucine 145380 182077 146573 158914 52962 210360 95096 195316 144148 146555 712476 857134 713540 749658 812789 754458 789059 716018 868667 811979 isocitric acid 3078 2701 3299 4750 3288 2833 5026 6752 4980 3079 845 845 946 1180 787 1067 775 809 708 837 inosine 5'-monophosphate 3566 9647 685 5425 527 17495 35813 20000 28895 13646 46 31 71 129 52 78 38 62 30 73 inosine 7221 5591 1732 4075 661 11026 8268 11732 7283 8831 2532 2129 1640 7949 1723 2713 1989 1581 870 1098 indole-3-lactate 345 312 361 253 263 340 181 386 267 294 364 375 469 575 589 612 389 691 376 415 hypoxanthine 28070 22814 15557 23790 3858 36443 50078 50621 44020 20031 10905 9494 10555 24002 8545 13250 8001 8675 6802 6785 histidine 3376 3581 2979 2997 897 3327 2922 4333 3549 3013 43807 64344 54432 49181 62680 47409 51956 78256 73396 50500 guanosine 792 771 512 750 505 1094 1052 2027 1323 749 116 202 214 1012 120 265 268 106 35 101 glycolic acid 13633 8959 7731 6618 7436 8852 6229 9028 9596 7889 2150 1238 1865 1776 1888 2419 1639 2112 1332 1628 glycine 122775 204003 165188 224879 113920 207872 262534 297764 252441 144033 71101 94056 74994 85880 68633 78880 75080 69088 85996 67052 glycerol-alpha-phosphate 7245 6590 11797 13307 5309 8271 11645 11899 11760 8223 1144 1532 1617 3132 800 941 1435 926 687 250 glyceric acid 5804 5323 5528 2871 3299 5261 3959 8226 5354 5231 4061 4481 3849 5972 3515 4306 3377 3731 3934 2992 glutamine 41727 36753 29900 28911 10746 26107 22133 36874 22751 37455 863469 1006540 778741 506862 824652 750107 813051 976489 1184967 796060 glutamic acid 122258 118294 225174 272566 97193 120705 381266 505383 346393 184005 94238 139570 95406 118175 87859 99376 100509 92141 109372 77255 glucose-6-phosphate 3649 3692 7831 11080 6372 5012 9532 17771 7421 2765 689 887 946 837 683 1026 781 641 1543 650 glucose-1-phosphate 12484 11093 33166 26459 17554 12656 22761 41272 18530 15530 4894 5238 6600 4978 5026 5068 4763 4757 7191 6149 glucose 239312 193993 193465 125750 48519 218236 89607 132921 92384 176354 1958360 1080509 2111464 1990402 1772245 1988181 1755324 1911919 1188786 2007020 gluconic acid 429 264 493 509 236 440 251 565 380 329 1232 1147 1339 1894 997 939 1150 1098 1090 1288 galactitol 13716 10654 11523 8154 312 13650 5562 9123 5811 9920 157790 129064 139830 122257 131742 126554 126327 139175 138651 133950 fumaric acid 30660 29731 21132 24453 20917 37669 31943 37498 31567 34371 3046 5118 3667 6254 2844 4419 3855 2613 2486 2717 fructose-6-phosphate 1869 1423 3728 4873 2004 2324 4668 9284 4041 1600 111 156 130 442 99 228 175 107 98 97 fructose 64778 52893 54650 47221 1053 61537 33107 52719 33301 50129 386573 317315 351693 334752 342708 343698 329652 355844 365283 342959 ethanolamine 125925 129567 107687 108361 69248 160875 124545 173021 154677 136524 10491 35663 22664 80861 12513 28712 26459 10881 6589 12132 erythritol 16497 14226 14187 11688 532 15811 9625 14264 10052 14158 76458 72318 71930 65497 67399 68264 67632 68622 78532 70104 diglycerol 17800 14306 21159 23462 11729 17341 25274 34110 24361 20376 1783 1842 2167 3904 1284 3009 1826 1277 818 1306 dehydroascorbic acid 2435 2310 8051 8742 1322 2002 32679 31596 12729 2987 171 380 433 2498 174 568 706 410 138 183 cytosin 3965 10114 16828 12943 7818 8462 14898 27875 18776 6978 394 1766 1579 2839 722 1754 1710 1022 613 1151 cystine 2596 1043 1837 1694 903 1634 1561 3293 1554 2162 111230 89040 89294 64270 97847 74422 82887 113689 144348 99404 cysteine 1381 2510 1494 3419 1864 4049 4726 5504 1995 2800 854 8793 2330 8078 3078 5752 4654 1271 1902 1953 cyanoalanine 2477 1766 2636 2460 1268 2347 3122 4862 2903 3312 2995 8342 3062 4586 7283 5734 5187 3207 5815 5028 creatinine 38363 22798 28538 37385 15813 8625 3334 64279 31983 38701 88497 31776 59228 87134 64550 74399 35356 70170 70995 40839 citrulline 18027 26307 18541 26143 8307 29656 31750 31364 27869 16629 180008 172825 165995 148188 175784 157891 144012 196892 178532 156326 citric acid 107261 97874 113343 134476 92239 114118 147954 232344 159390 120199 33844 37311 38575 50670 32063 42817 36603 33087 29536 33135 beta-alanine 1816 3241 2709 4486 2310 4113 5208 5896 6693 2203 1712 2368 2189 2456 1685 1879 2099 1864 2246 1764 aspartic acid 281801 268150 263910 414955 253098 359323 619825 756662 548691 394446 129020 205834 144622 160435 144110 153620 161026 139958 178678 135287 asparagine 10061 12772 17408 23940 7393 14781 25629 37177 26336 12077 81804 92369 75176 52963 78661 66034 72840 90050 113048 72153 arabitol 8067 5671 5789 5595 4261 3200 4891 6651 4718 6578 21060 16673 19375 17302 18330 18526 18321 17623 19160 5967 aminomalonate 8168 15621 7987 15024 6856 14472 17962 16351 15868 8897 4047 1698 2604 4748 3649 3461 3757 1813 1142 4403 allantoic acid 6567 5934 5652 3870 1832 6174 2960 4993 3318 5074 4453 5743 5145 5901 4561 7993 8239 8399 5837 9473 alanine 10889 99101 68124 52544 119868 250653 88420 52903 60816 287721 48801 151047 76070 152345 131661 128197 119921 35254 98397 112747 adenosine-5-monophosphate 5519 12192 16718 32469 2353 12588 27969 42151 25803 9990 179 189 899 861 416 1081 525 180 153 314 adenosine 470 488 809 1844 1150 477 1272 4517 1805 1215 378 155 1540 6014 604 2304 859 343 171 629 adenine 5185 7001 8658 2160 6663 7744 10808 16927 5436 4795 166 567 1352 1776 482 1107 1413 931 322 962 5-methoxytryptamine 8644 11785 5428 9251 8978 15166 6695 8089 11140 8497 631 580 1166 1558 1046 1522 1220 453 249 804 4-aminobenzoic acid 589 372 621 454 553 554 389 470 277 542 3579 3048 3020 2791 3029 3061 2842 3243 3381 2951 3-phosphoglycerate 4084 5651 13698 3084 1778 5860 7293 16725 8303 5808 897 1505 636 2903 894 1539 1707 567 362 749 3-hydroxybutyric acid 211415 131130 46444 36812 125977 148959 36522 66098 51974 168237 6360 2517 4936 2023 4003 3402 2144 4132 5305 4259 3-hydroxy-3-methylglutaric acid 554 272 311 403 387 250 316 565 533 380 300 240 208 263 259 256 272 307 129 303 3,6-anhydro-D-galactose 482 248 384 347 645 331 235 196 133 263 1114 1052 1262 1552 731 1170 986 865 758 1001 2-ketoglucose dimethylacetal 4858 4975 5487 6598 2783 3859 6383 9837 821 4669 319 357 520 848 392 483 532 310 115 450 2-ketoadipic acid 142511 94041 109633 86497 118390 106864 92791 137432 123099 110932 91763 9211 33036 29936 70183 21601 21343 75075 10199 27338 2-hydroxyvaleric acid 5989 6861 8900 6235 19236 16388 7381 21004 6047 9722 2814 2520 4507 4334 2805 3709 2523 3236 2859 4260 2-hydroxybutanoic acid 57122 76758 15306 17334 43726 149081 22684 23762 30377 46929 5315 4472 4735 3826 3758 3475 4076 5130 5444 4015 2,5-dihydroxypyrazine 24921 28365 28387 34388 12202 30542 43657 55804 47076 29470 412 1413 1632 3562 1020 2534 1644 946 420 936 1-monopalmitin 4161 2506 3025 2981 4057 3940 1172 4713 4021 2015 512 186 594 551 430 542 512 341 253 528 1,5-anhydroglucitol 1798 1634 2901 3380 1558 1380 4656 5640 3893 3833 190 813 2476 907 820 893 638 4509 854 2763 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quant mz BB id PubChem KEGG xylose 307 383564 135191 C00181 xylitol 217 5857 6912 C00379 xanthine 353 1669 1188 C00385 valine 144 3 6287 C00183 uridine 224 4705 6029 C00299 uric acid 441 23 1175 C00366 urea 189 145496 1176 C00086 uracil 241 1664 1174 C00106 undecanoic acid 117 412761 8180 C17715 UDP-N-acetylglucosamine 226 2546 445675 C00043 tyrosine 218 16 6057 C00082 tryptophan 130 85110 6305 C00078 trans-4-hydroxyproline 140 97 5810 C01157 thymine 255 1692 1135 C00178 thymidine-5-phosphate 170 1810 9700 C00364 thymidine 170 87703 5789 C00214 threonine 218 26 6288 C00188 threonic acid 292 172 5460407 C01620 threitol 217 770 169019 C16884 taurine 326 411 1123 C00245 sucrose 271 173 5988 C00089 succinic acid 247 161 1110 C00042 spermine 116 113524 1103 C00750 spermidine 144 1714 1102 C00315 sorbitol 217 162 5780 C00794 serotonin 174 364413 5202 C00780 serine 204 25 5951 C00065 ribose-5-phosphate 315 84602 439167 C00117 ribose 217 384948 10975657 ribitol 217 7362 827 C00474 pyruvic acid 174 5864 1060 C00022 pyrophosphate 110 88181 1023 C00013 putrescine 174 21703 1045 C00138 pseudo uridine 217 1688 15047 C02067 proline 142 8 145742 C00148 phytosphingosine 204 171211 122121 C12144 phosphoethanolamine 299 1723 1015 C00346 phosphoenolpyruvate 211 1685 58114173 C00074 phosphate 314 4 1004 C00009 phenylalanine 192 33 6140 C00079 phenol 151 31889 996 C00146 parabanic acid 100 4944 67126 C00802 pantothenic acid 291 31356 6613 C12276 palmitoleic acid 311 31379 445638 C08362 oxoproline 156 10 7405 C01879 oxalic acid 190 4923 971 C00209 ornithine 142 1821 6262 C00077 nicotinamide 179 84542 936 C00153 myo-inositol 305 1741 892 C00137 methionine sulfoxide 128 1678 158980 C02989 methionine 176 45 6137 C00073 methanolphosphate 241 5393 13130 mannose 205 70 18950 C00159 mannitol 319 17883 6251 C00392 maltose 204 1979 439186 C00208 malic acid 233 1391 525 C00711 maleimide 154 1743 10935 C07272 lyxose 217 85112 439240 C00476 lyxitol 217 233 439255 C00532 lysine 317 12 5962 C00047 levoglucosan 204 3169 2724705 leucine 158 88421 6106 C00123 lactic acid 191 80 612 C01432 kynurenine 218 210712 25245862 C01718 isothreonic acid 292 1679 151152 C00639 isomaltose 160 127715 439193 C00252 isoleucine 158 15 6306 C00407 isocitric acid 245 12267 5318532 C00451 inosine 5'-monophosphate 169 31242 8582 C00130 inosine 230 1728 6021 C00294 indole-3-lactate 202 724 92904 C02043 hypoxanthine 265 1663 790 C00262 histidine 154 6355 6274 C00135 guanosine 324 1966 6802 C00387 glycolic acid 177 1971 757 C00160 glycine 248 6 750 C00037 glycerol-alpha-phosphate 357 1687 754 C03189 glyceric acid 189 394878 752 C00258 glutamine 156 171972 5961 C00064 glutamic acid 246 28 33032 C00025 glucose-6-phosphate 387 360626 5958 C00092 glucose-1-phosphate 217 3167 65533 C00103 glucose 319 22 64689 C00221 gluconic acid 333 7501 6857417 C00800 galactitol 319 34096 5460044 C01507 fumaric acid 245 1718 444972 C00122 fructose-6-phosphate 315 6431 440641 C05345 fructose 307 50366 439709 C02336 ethanolamine 174 113567 700 C00189 erythritol 217 92 222285 C00503 diglycerol 103 34153 42953 dehydroascorbic acid 173 3163 440667 C05422 cytosin 254 2186 597 C00380 cystine 218 94 595 C01420 cysteine 220 65 5862 C00097 cyanoalanine 141 107144 18647689 creatinine 115 34042 588 C00791 citrulline 157 1712 9750 C00327 citric acid 273 288 311 C00158 beta-alanine 248 148 239 C00099 aspartic acid 232 79 5960 C00049 asparagine 231 369588 6267 C00152 arabitol 103 372446 94154 C01904 aminomalonate 218 413 100714 C00872 allantoic acid 259 390545 203 C00499 alanine 116 34178 5950 C00041 adenosine-5-monophosphate 169 1726 6083 C00020 adenosine 236 290 60961 C00212 adenine 264 1764 190 C00147 5-methoxytryptamine 174 284 1833 C05659 4-aminobenzoic acid 266 126321 7057990 C00568 3-phosphoglycerate 227 1667 724 C00597 3-hydroxybutyric acid 191 145501 92135 C01089 3-hydroxy-3-methylglutaric acid 247 32000 1662 C03761 3,6-anhydro-D-galactose 231 102714 16069996 C06474 2-ketoglucose dimethylacetal 234 3279 159630 2-ketoadipic acid 100 106429 71 C00322 2-hydroxyvaleric acid 131 25922 98009 2-hydroxybutanoic acid 131 40 440864 C05984 2,5-dihydroxypyrazine 241 2254 23368901 1-monopalmitin 371 391871 14900 1,5-anhydroglucitol 217 171285 64960 C07326 METABOLITES_END #END