#METABOLOMICS WORKBENCH xl15_20150304_9343791_mwtab.txt DATATRACK_ID:213 STUDY_ID:ST000164 ANALYSIS_ID:AN000256 PROJECT_ID:PR000142 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Bone marrow metabolomics of MKR mice under metformin treatment PR:PROJECT_TYPE Untargeted Metabolomics on metformin responses in bone marrows of diabetic mice PR:PROJECT_SUMMARY - PR:INSTITUTE New York University PR:DEPARTMENT College of Dentistry, Basic Science and Craniofacial Biology PR:LABORATORY Xin Li Laboratory PR:LAST_NAME Xin PR:FIRST_NAME Li PR:ADDRESS 345 East 24th Street, Room 901D, New York, NY 10010 PR:EMAIL xl15@nyu.edu PR:PHONE 1-(212)992-7009 PR:FUNDING_SOURCE NIH grants R01CA180277, CA172894, 5R01GM06248012-12, NIDDK grant PR:FUNDING_SOURCE California Institute for Regenerative Medicine grant RB4-06087. #STUDY ST:STUDY_TITLE Metabolomic analysis of normal and diabetic mouse bone marrow under PBS or ST:STUDY_TITLE treatment ST:STUDY_TYPE Untargeted Metabolomics ST:STUDY_SUMMARY Wild type and diabetic (MKR) mice were treated daily with intraperitoneal ST:STUDY_SUMMARY of 50 microliters of PBS (control) or metformin (200 mg/kg body weight) for 14 ST:STUDY_SUMMARY Their bone marrow cells were collected and compared by untargeted metabolomics. ST:INSTITUTE New York University ST:DEPARTMENT College of Dentistry, Basic Science and Craniofacial Biology ST:LABORATORY Xin Li Laboratory ST:LAST_NAME Xin ST:FIRST_NAME Li ST:ADDRESS 345 East 24th Street, Room 901D, New York, NY 10010 ST:EMAIL xl15@nyu.edu ST:PHONE 1-(212)992-7009 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 15 samples ST:STUDY_COMMENTS each sample with 3 technical replicates in each mode #SUBJECT SU:SUBJECT_TYPE Human;Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN FVB (wild type)|MKR (FVB background) SU:AGE_OR_AGE_RANGE 12 week old|12 week old SU:GENDER male|male SU:ANIMAL_ANIMAL_SUPPLIER JAX lab|LeRoith laboratory #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - MKRM1 Mice health condition:MKR | Treatment:Metformin SUBJECT_SAMPLE_FACTORS - MKRM2 Mice health condition:MKR | Treatment:Metformin SUBJECT_SAMPLE_FACTORS - MKRM3 Mice health condition:MKR | Treatment:Metformin SUBJECT_SAMPLE_FACTORS - MKRP1 Mice health condition:MKR | Treatment:PBS buffer SUBJECT_SAMPLE_FACTORS - MKRP2 Mice health condition:MKR | Treatment:PBS buffer SUBJECT_SAMPLE_FACTORS - MKRP3 Mice health condition:MKR | Treatment:PBS buffer SUBJECT_SAMPLE_FACTORS - MKRP4 Mice health condition:MKR | Treatment:PBS buffer SUBJECT_SAMPLE_FACTORS - WTM1 Mice health condition:wild type | Treatment:Metformin SUBJECT_SAMPLE_FACTORS - WTM2 Mice health condition:wild type | Treatment:Metformin SUBJECT_SAMPLE_FACTORS - WTM3 Mice health condition:wild type | Treatment:Metformin SUBJECT_SAMPLE_FACTORS - WTM4 Mice health condition:wild type | Treatment:Metformin SUBJECT_SAMPLE_FACTORS - WTP1 Mice health condition:wild type | Treatment:PBS buffer SUBJECT_SAMPLE_FACTORS - WTP2 Mice health condition:wild type | Treatment:PBS buffer SUBJECT_SAMPLE_FACTORS - WTP3 Mice health condition:wild type | Treatment:PBS buffer SUBJECT_SAMPLE_FACTORS - WTP4 Mice health condition:wild type | Treatment:PBS buffer #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_FILENAME Protocol_Methods_metformin_Li.pdf CO:SAMPLE_TYPE total bone marrow flush (cells) CO:STORAGE_CONDITIONS -20°C #TREATMENT TR:TREATMENT_SUMMARY - TR:TREATMENT abiotic TR:TREATMENT_COMPOUND metformin TR:TREATMENT_ROUTE Intraperitoneal injection TR:TREATMENT_DOSE 200 mg/kg body weight TR:TREATMENT_DOSEVOLUME 50 microliters TR:TREATMENT_DOSEDURATION daily for 14 days TR:TREATMENT_VEHICLE phosphate buffered solution #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen cells were mixed with dry ice-cool 80% methanol (mass-spec grade) at a SP:SAMPLEPREP_SUMMARY of 30 ?L/million cells, and then quickly thawed on heat block set at 50 °C for SP:SAMPLEPREP_SUMMARY min. The suspension was then processed by three rounds of 1 min vortex at max SP:SAMPLEPREP_SUMMARY chilled briefly on dry ice. The mixture was incubated at 4°C for 1 hour before SP:SAMPLEPREP_SUMMARY at 20,000 x g for 20 min at 4 °C. The supernatant was stored at -20 °C and SP:SAMPLEPREP_SUMMARY as metabolite extract for LC-MS analysis. SP:SAMPLEPREP_PROTOCOL_FILENAME Protocol_Methods_metformin_Li.pdf SP:PROCESSING_METHOD Homogenization and Centrifugation SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACTION_METHOD 80% Methanol SP:EXTRACT_STORAGE -20°C SP:CELL_TYPE bone marrow #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Untarged mix-mode method CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Exactive CH:COLUMN_NAME Shodex ODP2 HP-4B 5um polymer 4.6 x 50 mm CH:COLUMN_PRESSURE 150 Bar (Max) CH:COLUMN_TEMPERATURE 45 CH:FLOW_GRADIENT 0-15 min -1% B, 15-19 min- gradient 1 to 99% B, 18-24 min- 99% B, 24-25 CH:FLOW_GRADIENT 99% to 1% B, 25-30 min-1% B CH:FLOW_RATE 0.1 ml/min CH:INJECTION_TEMPERATURE 4 C CH:SAMPLE_INJECTION 5 uL CH:SOLVENT_A 10% Acetonitrile + 10 mM NH4OAc + 10 mM Acetic acid (positive) or 10 mM NH3.H2O CH:SOLVENT_B 90% Acetonitrile + 10 mM NH4OAc + 10 mM Acetic acid (positive) or 10 mM NH3.H2O CH:ANALYTICAL_TIME 30 min CH:CAPILLARY_VOLTAGE 3.5 kv (positive), 3.1 kv (negative) CH:TRANSFERLINE_TEMPERATURE 275C CH:WASHING_BUFFER 10% Acetonitrile CH:WEAK_WASH_SOLVENT_NAME 10% Acetonitrile CH:WEAK_WASH_VOLUME 600 uL CH:STRONG_WASH_SOLVENT_NAME 90% Acetonitrile CH:STRONG_WASH_VOLUME 200 uL CH:SAMPLE_LOOP_SIZE 20 uL #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Snyder Laboratory AN:ACQUISITION_DATE 41773 AN:SOFTWARE_VERSION Xcalibur v2.1 AN:OPERATOR_NAME Xiyan Li AN:DATA_FORMAT .RAW #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE 30V MS:COLLISION_GAS 40 units MS:ION_SOURCE_TEMPERATURE 3.5 kv MS:ION_SPRAY_VOLTAGE Electrospray Ionization MS:IONIZATION_POTENTIAL < 2ppm MS:ATOM_GUN_CURRENT 3000000 MS:SAMPLE_DRIPPING 75-1200 MS:SCANNING_RANGE 20 v MS:SKIMMER_VOLTAGE 120 v MS:MS_COMMENTS positive mode #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples MKRM1 MKRM2 MKRM3 MKRP1 MKRP2 MKRP3 MKRP4 WTM1 WTM2 WTM3 WTM4 WTP1 WTP2 WTP3 WTP4 Factors Mice health condition:MKR | Treatment:Metformin Mice health condition:MKR | Treatment:Metformin Mice health condition:MKR | Treatment:Metformin Mice health condition:MKR | Treatment:PBS buffer Mice health condition:MKR | Treatment:PBS buffer Mice health condition:MKR | Treatment:PBS buffer Mice health condition:MKR | Treatment:PBS buffer Mice health condition:wild type | Treatment:Metformin Mice health condition:wild type | Treatment:Metformin Mice health condition:wild type | Treatment:Metformin Mice health condition:wild type | Treatment:Metformin Mice health condition:wild type | Treatment:PBS buffer Mice health condition:wild type | Treatment:PBS buffer Mice health condition:wild type | Treatment:PBS buffer Mice health condition:wild type | Treatment:PBS buffer 1-Linoleoylglycerophosphocholine 19925.8906 18232.3286 29872.4228 10333.4923 30833.5332 39441.8650 48487.8598 18642.3730 65424.0633 31619.1863 65275.7139 106820.9866 71199.6493 36082.6676 50383.4914 24_25-hydroxyvitamin D3 6599.2196 8806.9461 6625.5345 4434.2163 7586.6180 8299.8912 6346.6920 3465.0582 5998.5591 5506.6727 13085.5177 19054.3567 12349.3204 4904.6026 7105.1435 2-Methylbutyroylcarnitine 54588.4440 55233.7423 76996.5394 67243.8380 82155.1457 76228.1635 82836.1988 76024.2942 71660.0062 57365.6288 79323.7339 55315.7409 88430.5111 63895.1205 57377.2961 2-Pyrrolidinone 62083.4078 48310.4154 64183.7992 76881.1566 71307.0967 92921.4106 76190.5957 62468.4457 93179.5864 125903.8441 108056.1892 86165.5413 76570.2521 121696.3443 89781.9342 3-Hydroxy-L-proline 151919.9361 118145.6683 126520.3296 68005.1747 119507.1527 175854.7781 342441.9163 118053.4904 316048.8245 159857.0090 236293.1917 231038.9090 263243.5348 130672.0839 425666.7811 3-Methyl-2-oxovaleric acid 14378.9628 11034.9334 9428.5381 12852.0586 7825.4490 11059.1244 10185.0739 5815.3838 14021.9107 16794.3805 14017.5642 17535.4451 14240.4605 9298.5634 2781.6456 4-Aminobutyraldehyde 3718439.6667 3668351.6610 4036461.5110 4451605.0727 3607080.0520 4070734.7827 4221424.9753 3088017.8110 3719710.0470 3814893.9180 3593063.6037 3499189.3083 3511266.0583 3570760.2727 3778423.9353 4-Guanidinobutanamide 18829.8633 19508.7481 17791.9323 20723.9300 16783.4989 15580.1838 14029.0238 17805.3479 16828.4147 15611.8416 14483.4597 18554.0563 16449.6967 18460.8019 15561.3105 4-Guanidinobutanoic acid 5152.7812 5580.3338 4708.3704 4208.7872 4112.7468 5088.8798 4650.0181 4759.8994 4292.1827 4324.4624 3945.0330 4604.9976 5167.4136 5249.5430 4684.5292 4-Hydroxypyridine 12500.1916 14155.1250 11803.7607 11653.0735 24237.0596 16649.2244 22050.9374 21569.3824 21564.4021 12667.6685 19710.7823 14226.9027 14919.8553 18776.5882 13354.5310 7-ketocholesterol 294287.9120 450459.2661 976893.3764 45730.9083 463411.2921 366243.7225 18008.3920 31049.7910 59251.7930 124820.3202 2336790.3088 3828477.7495 2249960.7349 336794.7740 35759.3550 Acetylcarnitine 4321038.2183 5751945.2270 7232268.1513 3046105.9160 7504957.2743 11826080.5800 19683397.8067 3434411.6560 5374427.5817 3240523.9563 4532979.6470 5378016.7113 4034349.6130 3476370.8890 15610565.0233 Acetylcholine 300208.2366 346353.7820 466171.0646 175620.0294 466079.0385 732426.2479 1277018.2657 343337.5223 837383.3032 340372.9332 681995.9340 651725.8818 746979.4649 441300.0392 1234372.2416 Acetyl-L-serine 16483.5648 17065.4046 20755.5852 12879.7187 25198.5838 33229.9275 57602.9565 23108.6200 24062.2733 19982.3585 21409.6545 25289.1239 25012.6255 13764.0932 50856.1148 Adenosine 24993.4206 17183.4484 10159.4415 7038.0631 18434.5918 32435.9476 10243.4641 13964.0207 20793.1434 11314.8526 30433.3136 24462.0177 51019.4057 7591.6877 63396.1303 ADMA 5027.8469 6919.7858 16189.5514 5877.5960 10989.9653 14290.0234 19508.6033 10975.9880 23329.1145 9850.1764 7849.0631 8611.8181 11431.3216 12789.6919 20980.9596 ADP-ribose 2067.1819 2376.1075 2219.3896 595.7992 2064.5404 2877.2693 4486.7322 880.8115 2437.9524 2059.8068 3120.9354 3423.1679 3172.4597 1287.6503 4734.7503 Agmatine 8219.9888 8554.7050 5286.5415 2051.4274 4048.7582 5259.5071 2045.8654 2071.5553 8354.5722 8922.4300 4480.7011 7235.9567 3313.4907 4280.3253 7693.6145 Alanine 879836.1067 947992.1215 1567992.8564 442501.4262 1485432.1685 2175556.3850 3091913.9293 1027916.3964 2507025.6717 1235217.5000 1387161.8377 1159929.4833 1326349.1163 1221832.1050 3991136.8727 Allantoate 4386.3185 3453.2522 3522.7609 5831.8075 3836.5510 3797.9254 5608.7392 4047.5139 4219.4142 4593.5933 4092.0306 4801.5280 5054.4580 4686.9820 6654.7863 Aminoadipic acid 9878.0014 11368.5189 44080.4632 12523.5572 43078.5430 85712.5405 569255.9895 212049.5733 450935.5235 208071.8055 354233.0486 198672.7430 317409.1120 152863.8388 722336.0476 Aminoethylphosphonic acid 92242.2672 92248.7123 108485.3324 53827.0503 119554.7845 165431.1270 232485.2077 95621.2332 161438.7445 106837.3289 160154.7120 145638.5721 177526.7657 95366.4510 231457.2605 Aminopropanol 2662.1018 2376.7275 2557.3141 1954.7958 2317.2854 2675.9078 3874.2830 3102.0924 2786.8150 1995.6547 2958.6564 4296.3186 4621.0519 2725.9056 5115.7682 AMP 47908.2516 113829.0903 43770.5710 17299.8473 61589.9464 62339.4256 49312.0162 27060.2581 70132.6074 50625.0566 60421.9068 115244.2275 65698.0037 29547.6065 68011.5210 Anthranilic acid 9161.6626 6686.8478 9197.5003 12309.5035 9277.6329 13587.4865 14653.4043 11505.9082 12900.2671 13382.3728 5217.7637 11246.2799 12453.8561 10058.5990 13024.8064 Arabitol 7762.6569 6850.5079 6244.7660 11821.9631 6466.5772 4481.5824 89580.5833 7644.5479 4749.9208 7215.8662 6647.5181 6732.2154 5413.0399 7362.9161 128705.5701 Arachidonic Acid 16963.6178 21461.7840 21649.1877 18647.3830 19328.3654 15045.1224 16879.0895 14562.3211 15207.8702 12898.0998 13083.3645 29811.3872 27992.1785 20200.2631 15799.5092 Arachidonoyl Ethanolamide 1810.8446 2085.2624 1859.4200 1586.0279 1807.2302 2070.9412 2761.6620 1756.4772 2019.7173 1678.1281 1476.9239 2100.3630 2062.3708 1735.6745 3967.4061 Arginine 16526.0672 36780.1372 117441.8293 18464.1609 59361.2091 100406.7545 184444.3836 79172.5945 210431.1225 60479.2563 85965.0194 55963.1303 65849.7198 117624.5897 180061.0263 Asparagine 124265.5274 195281.1781 334678.9761 98220.8416 258689.6295 312588.0900 617753.0184 248828.8247 477595.5824 240520.4978 295085.8652 267684.2859 264859.9879 334952.7460 780557.0680 Aspartate 837717.0800 1053127.3900 1376212.1173 660330.5733 1534332.0727 1930536.2297 3638394.1780 1274391.9073 2533466.1340 1387906.9177 2239687.0393 1781901.3353 2117840.6167 1380129.8137 3901433.0010 Aspartic acid b-semialdehyde 16978.7386 21404.9470 19372.6842 12237.5444 11751.9539 22804.0816 29797.6801 17107.1250 26944.6814 21132.5722 25844.0094 18903.7295 21012.3170 12204.0796 32991.4127 Benzoic acid 6909.4861 7455.2944 3993.7914 12631.1608 6992.5459 4821.6447 4894.2827 7340.2318 13536.8354 14986.3861 14016.8873 16360.7774 13922.8640 14131.5438 3320.3323 Betaine 726271.8809 670918.8844 636392.0277 839516.8450 814617.8677 882106.9305 841908.6393 870476.8210 922259.7920 819533.0313 921450.7728 863571.8621 832979.4004 880812.3875 863683.5684 Betaine aldehyde 75380.4114 75530.4896 82176.1063 79859.5221 84958.7683 121015.0587 158642.0980 82604.1239 103317.7671 71223.9981 97287.6985 90891.9333 84130.2892 73106.9677 111689.5206 Biotin 1119.2903 1637.0984 2164.7362 1004.1845 1754.7075 1963.2627 3358.9468 1044.3739 2506.0758 1280.7572 1711.9478 1687.5719 1545.9552 1813.6159 2647.2724 Biotin amide 2180.3851 2099.3974 2826.6426 1557.6976 2188.6476 5177.1481 5375.7608 1954.4148 2855.0887 1956.6833 3454.6462 2499.4380 2839.9175 2959.4330 6093.7974 Butyric acid 8997.6717 8214.9178 8254.8265 9557.7455 8210.6302 8664.6808 8971.1818 9283.9346 9427.1310 8940.2028 8440.8771 7526.3206 8755.7081 7987.9746 7663.3617 Butyryl-L-carnitine 56626.1385 58232.9581 77371.9141 38382.7968 125256.6518 304969.0095 321170.4858 63939.5187 132756.2713 71570.0497 74309.8188 121074.4836 140729.4522 87143.2632 521678.0821 C-2 Ceramide 36066.0281 29099.3039 28745.9608 43440.9565 23787.7310 38829.3356 26763.5514 31537.9488 39894.9281 31173.8666 37577.5895 19557.8403 16265.7394 32833.4190 28747.1440 Cadaverine 3755.2375 7088.9629 3809.5932 4054.7016 8155.6475 7813.9249 13264.2354 5009.0159 8722.3386 3549.7080 7110.9110 6221.8028 4637.3463 5861.6084 9552.4926 Caprylic acid 8839.0653 4146.6646 4458.2573 2840.2383 2874.9056 4805.6648 4550.5091 3732.3495 8584.1001 5810.5249 7038.1760 8536.2117 4084.4993 5936.2033 7124.4088 Carnitine 1179854.1417 1247419.3457 1823997.6237 630551.5422 1697226.0890 2135428.1100 4146820.8340 2094712.7190 4804148.1083 2118987.2807 4336901.9017 3628753.4857 4706537.5260 3065994.1943 3876318.5450 Carnosine 2539.9692 2409.8277 2370.6316 2028.3479 2359.0916 3100.8538 3203.7494 2433.5998 3600.5417 2526.9121 2674.7670 2348.7673 2463.6980 2496.2127 3950.9039 CDPcholine 3779.7634 5936.3208 6767.1521 3107.6618 5246.6872 8469.6845 13929.7647 4740.6354 14529.7598 6350.6899 8619.0814 13259.2001 10356.1859 10127.2370 12483.1174 CDP-ethanolamine 5353.6758 5001.1149 5944.6557 3156.2825 6004.4927 6940.4778 7450.2793 4172.3858 6617.0875 4607.8564 6319.8089 8036.9590 8071.1485 6262.4186 10310.1321 Cer(d18:0/13:0) 5666.4945 3900.5504 8927.3591 643.7523 5597.0597 10023.9902 5438.3479 2826.8003 7488.7202 3271.9415 4043.5881 10609.6628 7925.8103 2433.1064 37021.0143 Cer(d18:0/16:0) 3844.0446 2778.2590 3163.0041 370.4734 3883.4499 3893.5286 2040.5081 281.7988 4357.0827 898.4979 2857.1823 4014.5808 4104.9785 2485.0076 9157.5019 Cer(d18:0/17:0) 219129.7771 190877.9155 277980.6193 6000.6802 180981.5509 168296.9611 52721.9779 16342.8083 217018.2122 40301.8057 110657.8796 230085.6376 207246.1052 126272.3566 381778.2775 Cholecalciferol 24694.1809 72568.2631 297406.8423 2534.3577 261833.0472 151450.6256 17058.8642 7474.3340 64423.3996 27627.4363 689078.4879 723679.3104 652885.0450 52767.0343 61108.3571 Cholic acid 2683.1608 2549.1867 3113.2124 2901.3218 2739.9160 3004.8105 2632.2250 2561.3464 3407.7584 2713.9415 2621.5723 3113.6403 4349.2475 2609.4547 2546.9182 Choline 13927882.3667 14091966.9700 20891648.1200 7553519.7987 23759385.9600 31236538.1800 41325916.1567 17321260.0467 29923466.9433 14153555.5133 18298280.4800 17840572.6000 24324984.9433 16577077.5200 40201212.1733 Citrulline 2178888.5820 2082768.9295 3585210.5530 2832796.6200 2903923.6783 11533.5001 1955923.4481 3059145.4350 3207338.3827 3062268.4957 2763931.9393 2924868.3803 3082441.9747 3108352.8783 938554.4924 CMP 26767.4629 16295.0765 48971.7053 12776.2345 30520.0324 57802.8785 141837.9832 8072.1035 20718.4166 11671.9939 27800.9376 12050.4389 10937.7514 10139.1242 71922.6425 CMP-N-acetylneuraminic acid 3426.6974 3324.8861 3969.3898 1645.2049 3344.6797 4328.8098 7741.3779 1541.9337 6924.2188 2412.6528 3766.1968 5908.4884 4700.5136 3264.4802 10572.7240 Coumaric acid 1985.8240 2239.5060 2597.8728 2466.1547 2397.4644 2426.5593 2989.4803 2776.3486 2744.7697 2980.7554 2588.9609 2500.0429 3136.4807 1808.6958 2242.1104 Creatine 357692.4637 377632.2954 521387.7844 179599.4536 466084.3048 722588.0177 810226.7234 332897.6951 595519.4759 331123.8093 574655.0913 454036.2627 455798.0136 398820.0907 1039753.1638 Cyclic CMP 15368.3195 20806.6669 20014.8913 7463.1818 21807.1360 22334.2389 20118.0677 3319.9893 18652.5501 6189.3226 5922.8842 8489.0910 10432.3747 5771.5643 21657.3811 Cystathionine 4682.6790 4636.7523 3981.4851 6920.3434 5586.9650 3973.0506 4101.5123 7324.5857 6786.1921 7378.3958 5203.8934 5530.4548 2859.7552 7820.8879 7538.0628 Cysteine 0.0000 1123.9578 1489.7802 0.0000 1280.7617 3208.3934 8597.6456 2136.2460 3166.4813 3473.6732 2065.1122 531.9798 3396.7978 3133.4308 9578.3237 Cysteineglutathione disulfide 4637.8079 6595.6057 22530.2537 3854.4442 7708.7662 8681.6084 5773.9382 8140.1260 43497.4840 7797.4047 11248.6824 7882.6396 8072.6173 8028.0673 6969.6378 Cytidine 14729.0002 14851.6660 43617.7487 6401.3415 26886.3815 47192.1730 121373.8693 18066.3869 65317.1726 17236.8091 25975.3291 18431.9168 23563.3230 23857.3234 94010.5523 Cytosine 11080.3943 10899.5530 14245.3556 7553.3026 17461.7236 26363.0576 44226.7894 10380.0937 22039.3802 11665.1222 20413.3210 15188.2431 17802.1555 11054.4149 47930.6903 delta-Tocopherol 2947.9387 4382.6534 3511.7068 2995.0127 5612.9559 4191.7309 3369.8015 3693.8531 3444.6843 2798.9039 14910.4185 17991.8244 18276.3554 4357.9196 4321.9158 Deoxycytosine 2963.0562 3362.8861 4004.5242 3960.1398 4679.8344 3350.9563 3598.0044 4747.6831 5912.1924 4833.5405 5317.8564 5075.2699 6437.5086 4907.8163 4552.6070 Dethiobiotin 6635.7537 6244.6979 3470.1869 18031.0510 10056.3384 5478.0727 3953.0243 6379.9765 3832.7420 4153.6868 4815.1419 5521.5392 2467.6810 5701.8838 4826.5569 DG(17:1(9Z)/17:1(9Z)/0:0) 3920.2491 3904.9225 4131.2357 5096.5024 4190.7919 4644.5092 4834.7859 4007.6080 3782.5813 3832.5803 4302.8787 4122.9798 3931.0459 4303.3429 5206.0732 DG(17:2(9Z_12Z)/18:0/0:0) 3034.8838 2848.7508 3475.8671 3107.5741 3415.7015 3011.5603 3601.4497 3644.3339 3530.6438 3156.2906 2955.5342 2946.6724 3154.9935 3293.9954 3835.5650 Diethanolamine 9833.1349 8727.4285 8429.1410 7887.8696 7193.8770 8027.3011 15962.0745 7494.5168 9976.8506 7419.5656 5515.3970 6129.4378 7395.6842 8027.3472 10310.4453 Distearyl phosphatidyl ethanolamine 52386.0069 54409.8428 65633.9674 17291.2885 144550.5930 194423.9286 41537.3989 32526.6178 143808.7409 36674.9523 59775.3883 96920.2631 170533.4962 98441.2101 133881.3012 DL-2-Aminoadipic acid 54941.0318 60610.1052 48725.1305 48847.4243 83771.9627 107687.3111 56268.5542 29413.2115 3718.9371 58276.0307 41207.9161 89667.0554 35464.8703 43127.5515 106207.7770 Docosanamide 7234.8145 5566.4347 4859.3012 5536.8878 6117.1695 7891.9600 5149.4224 3375.4267 9993.7554 8301.8574 7400.7989 3255.6962 4662.2520 4655.0388 8275.6474 Dodecanoylcarnitine 42342.4350 39205.8126 35317.3424 42719.1482 34688.4208 52640.6740 54757.9427 38680.7071 73300.2128 33427.4709 68430.4415 89950.5563 129858.2230 43303.4975 243561.8580 Dopamine 10216.6182 12429.2962 12297.8594 11656.4949 12823.9131 11010.9709 10663.0568 12033.4777 11502.6622 12162.3468 13656.9659 12075.4731 10755.6746 10738.7769 11778.5212 Elaidic carnitine 72962.8986 105407.9533 71977.6331 41983.3771 81602.6385 170577.9569 73007.5730 46994.2301 176369.8927 50595.0705 78524.9198 214784.0956 197940.7831 113421.4431 378913.7798 Ergothioneine 645632.2608 940262.0879 1143354.2962 542622.0070 1278161.3682 2322014.5257 3479675.8310 868272.1510 1646806.7096 819153.7632 1641484.3693 1261200.6377 1546974.7813 1320660.4340 4017790.2393 Erythritol 6769.5797 7932.0793 9971.3754 4229.9773 10154.5674 15275.8471 23877.6366 8965.1317 17576.3982 9375.7586 15991.2855 15037.2134 15350.1413 10369.4945 27963.5114 Formimino-L-glutamic acid 3391.5959 3435.0811 1942.8358 3457.2742 3124.7211 4161.8295 7540.9064 3162.6775 2857.2152 3103.3314 3468.8804 3302.1257 3724.7036 1955.1072 6380.7457 Gamma-Butyrolactone 6065.4656 8638.5769 6509.6792 15616.5813 9339.0947 6804.9040 7700.1879 7113.8769 13819.2582 6885.7988 8057.1933 5843.2486 9347.7254 8993.9773 6735.5333 Glucosamine 1-phosphate 3292.1409 2772.7732 3743.3786 2749.6568 2435.8463 3892.1155 5809.6808 2308.3158 3535.4441 2280.2026 3551.4059 2568.6331 2899.6468 2427.6401 3951.8163 Glucose 3097.2415 1945.6662 2618.6540 2902.5298 2824.3091 4865.5103 6187.7827 3517.6026 3946.1880 3223.3656 3084.6615 4665.4065 4092.5548 3821.0654 6282.8608 Glucose 6-phosphate 2099.2524 3796.4998 10039.6619 491.3873 7515.4769 14119.1873 16478.9598 4355.4628 13666.0039 4258.2339 10288.2909 1664.7174 6706.2158 8171.8886 18780.7324 Glutamate 2777131.2337 3431186.8937 5370791.1113 1807485.9293 5954668.0770 8841156.7697 16943687.0833 3198603.2833 8092304.6470 3475659.4560 5488140.9233 4850013.2450 4541609.8327 4059131.1643 14681563.6820 Glutamic acid g-semialdehyde 8839.9725 11560.1700 15408.3604 8333.3439 12876.5843 14086.6074 14325.6174 13765.5406 27051.5764 17541.9665 16327.2171 12134.8558 13167.9489 16122.7217 22616.2144 Glutamine 33199.2536 37432.6064 179043.5562 35674.0019 102354.9343 191494.2056 243580.2564 162685.0305 212266.2467 95862.6685 73875.1032 39384.8551 62390.0769 130931.4617 430933.4796 Glutathione 1050352.0164 1366856.5807 1767235.7517 572955.4861 1879265.0773 2315563.8660 6048541.9523 1352818.4907 2554334.9383 1559127.4363 2343902.7623 2122363.1280 2925134.9537 2191530.5227 4419743.0477 Glutathione_ oxidized 12445.2458 10235.4260 10734.5266 2778.9499 9051.0386 21105.1222 47307.5646 3497.6118 35713.9585 3547.9392 14371.4604 17632.7079 9985.8009 4126.2500 60279.2240 Glyceraldehyde 3-phosphate 1003.2064 2152.7094 5461.7539 992.6519 5223.1016 12163.8278 21135.8406 813.0638 7065.3516 1195.7332 4820.9086 1947.9407 4751.7754 2571.4006 12601.6470 Glyceric acid 60464.0201 84059.9705 100407.4294 56359.6068 34226.2147 71429.7892 122409.7869 59971.1447 100728.6560 46270.4287 93045.5782 66160.4515 63653.2384 95735.8691 48212.9831 Glycerol 7671.1381 25594.1620 16329.9158 17602.1084 20389.8270 19595.5009 26573.0922 7932.8610 19457.8793 14915.0312 16427.6288 23694.8817 13669.7887 22999.5968 7403.7822 Glycerophosphocholine 469246.3425 427552.9134 743139.1712 234042.2038 658014.6365 1212293.5476 2895591.8910 371628.6618 1548420.9438 423246.5438 710124.8442 474573.1897 928358.7144 347050.3818 2183725.1712 Glycerylphosphorylethanolamine 78502.2912 69386.3546 90128.3549 44579.7538 92255.8355 148353.1476 162114.3571 61365.2822 139192.5448 70441.2535 99883.3068 76912.1608 127424.1999 63484.4592 171641.1507 Glycine 67686.3298 63932.9205 100434.2963 43184.6850 80395.2864 110887.2630 316745.9487 87653.1244 191305.4108 92833.7366 110404.4457 130635.5289 142696.3594 109751.8939 333385.4011 Glycocholic Acid 3254.8877 3788.7331 2307.6169 3223.0315 2400.3522 3491.8978 3062.6469 4122.2216 586.8287 4145.2421 3498.1804 2365.3160 1242.3404 4243.9614 2143.2177 GMP 5414.0803 11215.3556 14858.4954 1958.2967 14091.3900 18021.7045 21368.7486 5897.6531 11848.8336 5524.5174 13182.6495 15102.3788 13220.7244 14856.9710 18846.1955 Guanidineacetic acid 3465659.2190 1739007.7672 5758407.0633 2704398.7613 5667567.2660 4710407.7556 2794042.1946 4418698.2153 1835489.4032 3244796.3845 6975122.1533 3072790.7322 6469074.9833 5116334.9913 10105263.2893 Guanine 35385.5467 36335.5554 3816.4197 62535.5023 26705.9620 3019.5543 7411.1284 38152.6761 2561.3127 2249.7920 2855.7478 90113.2071 11403.5827 11160.0668 36136.8637 H2O4S 119774.6199 146729.4045 175881.3543 80508.0258 181152.6131 204716.2149 349026.0287 124124.6084 215817.8914 129100.5479 199270.4475 182559.1679 173543.0098 162774.7751 272549.1906 Hexanoylcarnitine 43815.5425 49324.6707 31135.5864 57383.4329 28902.3978 29307.8216 48573.6422 31081.4864 33085.6593 28357.7820 33394.2836 44628.4728 47926.1608 46808.5732 29209.1786 Histamine 2321.8298 2187.3603 2975.8470 3953.6901 2180.5062 3814.1158 3128.3365 2617.6039 4281.0342 2712.2784 3259.4288 3210.6975 3582.7695 2880.0422 4250.5933 Histidinal 4118.5187 8132.0475 3800.8742 6026.2550 7272.7045 3407.9548 3043.1045 7507.2118 3090.6698 8302.9667 7727.0848 2943.6269 6404.1903 5046.8583 8383.3655 Histidine 41976.5707 94313.4372 228709.2471 33217.8721 158451.6286 262720.3604 536134.7395 119428.3375 381772.4177 108229.0036 196823.9708 122233.9092 142567.9022 211648.4092 527295.9404 Histidinol 3007.9099 5399.9222 4269.1691 4981.3276 4738.3987 5255.1624 5244.0243 4727.1847 5257.2213 5808.9967 5448.5119 4935.1624 3167.3023 4764.3150 5719.0497 Homoserine 7520.5841 6464.5036 13743.1327 4776.2390 14341.3604 14804.1616 15942.4443 12268.1972 26673.0549 10140.3618 11594.4252 13934.4402 9172.1674 9588.4596 26285.1654 Homovanillic acid 830.8184 1102.3647 1472.5718 460.3167 1814.9812 3062.6188 5547.9379 195.1471 881.0623 266.6146 288.1274 729.6397 311.2791 303.1498 3733.1838 Hydrogen selenide 25427.6222 32948.5889 40250.6786 19392.7761 55713.2652 38147.9053 114568.6056 38142.0325 62266.6699 43562.9854 51987.0937 42188.3528 25775.2842 32335.2389 23050.4149 Hydroxy butyric acid 35728.2979 31591.1549 36157.3638 19931.6922 50100.2559 52405.0615 102239.2547 30832.1169 35879.6454 34276.1307 48537.9554 40381.3611 22106.3605 31925.9582 58232.9584 Hydroxyhydroquinone 100020.9393 109499.5916 129265.8672 55055.3633 162868.1159 258060.9111 303235.3585 117023.6286 242847.5707 125089.3069 159951.6373 136290.7758 240750.5090 129416.0468 364469.0001 Hydroxy-L-glutamic acid 1711.3282 2010.5598 1705.1596 2010.9107 1909.8600 2002.1304 2378.2023 2041.6855 2534.3922 2124.7170 2073.2875 2261.2225 2263.9888 2005.3241 2453.1529 Hydroxylysine 39800.6540 25729.8161 72055.0173 20035.9947 35478.9738 58163.5427 100257.2985 58520.4060 59768.0765 89571.3989 56308.9827 46671.8432 3933.4826 46937.4143 49865.2176 Hypotaurine 107973.9236 91193.2041 105489.1407 67550.2288 134722.1884 200758.8886 276240.6478 136066.9265 354472.3053 128363.9751 239736.4041 188469.0736 226536.3566 107839.0317 416203.8294 Hypoxanthine 83571.8666 101839.4115 311430.6507 33066.0425 144738.6782 211902.4423 421256.1901 180714.2708 487673.6205 162286.3044 252459.4286 118951.3199 336979.4403 291193.9698 576907.1511 Imidazoleacetic acid 3223.7510 2074.9934 6171.6116 8352.8358 5987.7524 5566.3200 5907.6665 4172.3009 3298.5524 3375.2577 4018.8331 3112.0915 6937.4317 6083.1483 5738.8935 IMP 21961.9675 33344.3817 32010.4369 20220.1749 26150.3881 38382.4946 39535.4605 12224.4458 29113.1675 26702.1393 37072.1331 39745.4741 24294.2535 68817.4074 40037.8452 Inosine 9928.1548 7620.6444 10503.8323 3253.5407 9771.6315 11710.9592 10903.8676 9181.4055 13220.8902 8609.6327 11469.6164 7123.9859 19870.2658 7966.2495 17067.7979 Isobutyryl-L-carnitine 44585.8900 42736.0095 39240.4602 46312.1516 46822.0067 45937.3921 47622.1613 41586.0421 46222.1787 39462.5423 42861.8965 41293.4551 40302.1404 60412.7075 45347.3952 Isoleucine 919093.3528 1856551.6140 4078309.6197 906603.5146 2722274.6223 4069319.3513 8119099.8717 2380913.0783 7529561.3590 2592438.3723 3518543.8540 2188247.0440 2561095.1593 3475691.4050 7665021.1250 Isovaleric acid 2744.5709 2364.4890 2313.8700 2769.6883 3055.8382 2639.6888 2936.7423 2940.3350 3041.1820 2126.8360 2858.3026 2101.9957 2279.6687 3290.3994 2703.9895 Ketoleucine 7433.2871 11068.2575 9054.2353 15515.3414 7284.7202 9674.3723 11975.6812 12502.2455 4716.3773 6436.9870 6696.8872 9594.7715 10008.3669 11219.1314 7066.0095 Kynuramine 35653.3985 33256.2023 33125.8331 25448.6242 15910.0819 28550.0667 4558.4148 25956.5249 13209.4074 28013.8275 22423.0892 19940.3384 20385.8646 24364.1483 10187.2313 Kynurenic acid 3809.5259 4167.3857 3896.1592 3458.6289 3878.5185 4128.9511 6449.9367 3229.2984 4283.2265 3347.3234 3981.8613 5350.0786 3672.4567 2857.7827 6192.3532 Lauric acid 774.4310 1280.6172 1173.7968 1498.2808 1419.5003 2045.3235 3269.3070 928.2551 1356.1270 1632.9342 1514.8555 1323.4509 1360.9611 1392.2105 2818.7622 L-Homocysteic acid 203702.8063 228949.2426 112253.8011 116451.4609 72363.2582 3228.6159 11242.7036 1764.8142 6337.3914 287436.5086 3255.3178 292893.9018 119098.8632 208418.6485 7788.8989 Linoleyl carnitine 44851.7292 30417.9367 30204.6283 21722.5944 35436.9877 80691.3601 55937.9675 24653.2802 66204.0706 27533.1031 42017.1897 119141.6143 124874.2794 49627.8803 237223.6572 Lysine 66913.5608 120559.1380 251693.5083 59753.6997 184261.0256 264875.6724 490651.2254 186193.9193 421310.1738 147629.0639 241820.0130 169952.3282 213072.9391 272651.4335 519059.9753 LysoPE 1977.4050 1949.5856 2271.4989 1387.0010 2814.2250 1495.1939 1780.8814 1369.8682 1858.4627 1689.3916 3244.6525 4406.5742 2316.3504 2176.3746 1576.9008 Malonylcarnitine 2419.4004 3629.5363 3002.2874 3381.7689 2586.5728 3201.8968 3098.6029 4228.7888 3612.1496 3589.5514 3685.0906 4278.0893 4568.5028 3743.1352 3878.4335 Metformin 2818654.2933 2809251.9067 3698457.6220 172630.0971 121803.2126 129818.9169 122842.2643 4324103.0173 5590585.6093 3794110.9893 3828682.6547 134680.4387 172514.5992 125955.1066 157292.0090 Methionine 73926.6323 172217.6120 423314.3304 68035.7760 257029.2093 445637.6187 1011874.3829 236377.6722 872433.8091 251319.8502 355177.1432 205879.0036 264345.5735 359781.5021 959109.5944 Methylcytidine 13506.8592 12248.7027 17571.4866 7558.7567 9859.5240 17882.1652 55230.4793 7214.8031 37711.1673 8731.0450 6864.0918 9599.1185 14138.5879 4869.0030 10103.6962 Methylglutarylcarnitine 15735.2639 13295.8846 16064.1018 14033.6142 21198.9657 12122.5885 14541.7972 19973.7508 8970.2551 27749.8470 8830.3490 8564.5140 11361.6668 15844.9531 17452.4346 Methylhistamine 132467.7348 200625.8603 286914.8591 131883.8377 365404.0985 536235.9818 848539.3064 192323.5446 701176.6327 340084.0671 418749.0278 398541.4725 305368.4495 220488.2592 776416.7099 Methyl-L-histidine 21351.2953 21358.6804 21343.0866 21477.7838 19866.4439 13399.4777 14734.1668 20699.3859 18765.9302 20029.2517 20379.5144 14818.0344 20420.0175 20584.8734 5023.2648 Mevalonic acid 8467.7575 9179.1630 10495.3785 8603.8598 14381.2947 12712.4922 12406.5547 15128.7444 21745.3884 14467.5574 22762.2394 57011.4176 31940.5309 23582.8127 22164.1178 N1-Acetylspermidine 5179.5469 14629.6104 27482.6335 3501.5825 15764.9242 33446.8647 105302.2623 35917.8059 209260.7256 46284.0342 59679.0244 39647.7128 53014.9629 63493.2580 74884.9919 N2-Acetyl-L-ornithine 7315.7600 5421.6707 4415.9220 6473.0876 6016.7257 5505.3730 6691.9501 3695.0792 3762.7554 4625.0222 5984.2875 5647.4952 4907.2253 5450.0848 5204.0978 Na-Acetyl-L-glutamine 1718.8536 1863.2612 2228.6855 1525.6679 3194.9304 4299.8747 7760.6628 2038.7333 3797.4926 1872.0520 4046.9667 2930.4509 3611.1951 2025.9808 10253.0950 N-acetylaspartate 7291.4098 16154.3438 34609.6572 73913.5940 28173.1783 42070.8689 211255.1683 5224.9070 54102.0737 53002.1841 42012.3154 34259.4192 25868.6222 42750.0505 83612.9748 N-Acetylcadaverine 8108.1925 8709.9638 10635.5910 6426.6239 4957.3326 7735.5295 5155.8723 5580.2071 9525.5733 10191.2270 8095.3560 9163.3491 3048.5026 3492.9662 5663.3943 N-Acetyl-DL-methionine 1222.1306 1004.9087 1138.2551 1469.0184 855.9064 522.7332 1071.6972 1224.0722 896.6154 900.3683 667.9407 858.2458 673.8964 963.2629 967.4364 N-Acetyl-L-alanine 21109.6289 11269.4258 30952.1051 18940.8387 20761.7257 27219.6554 37383.1966 20811.9553 44225.3776 31579.7694 35168.0998 21106.7079 21874.1758 24147.6113 38561.7370 N-Acetyl-L-glutamic acid 22906.5654 24325.6025 30922.2805 23035.3684 3057.0200 19144.9147 51313.4015 31356.1813 15589.0546 37336.6968 12680.3462 15598.3913 28614.6217 30178.2724 45020.0576 N-Acetylneuraminic Acid 16920.5732 2953.2710 5290.5648 8601.6327 16236.1366 6584.4251 11446.7029 2693.7701 12083.6227 8998.6842 4857.3293 4053.2266 5694.6511 4162.1959 7036.2730 N-Acetylputrescine 49563.2695 61878.9322 78986.6818 65413.0652 135785.4276 100411.0498 75988.4621 51197.0385 82902.6853 45054.4121 214661.5878 67960.7627 43419.2348 42957.6394 47286.4657 N-Acetylserotonin 2728.9624 3114.3442 4002.9307 2508.4384 4058.0675 9609.2553 10440.4647 4330.9398 8198.0165 3500.6805 7161.4172 6872.3083 5680.6950 4035.9339 11842.5142 N-Acryloylglycine 760.2790 786.3177 4726.2385 1127.0290 2760.7306 5565.0642 6729.1751 3539.8290 6765.8541 1420.5093 3107.3390 2093.5610 2955.6174 3395.5028 11604.2769 NAD 3904.9467 1143.5382 1229.0967 1774.6972 1410.7194 2141.0737 3602.4442 1992.7295 2114.8025 1846.7446 2799.9552 4494.3950 4581.1766 1482.0402 4680.9290 N-Carbamoylputrescine 10255.4408 22152.4421 49842.7824 9881.4420 32097.6475 49732.6312 101949.0992 29002.2357 93746.4380 30481.3241 42331.2114 26597.6946 31861.9006 43686.3074 96673.4157 Ne-Methyl-L-lysine 3408.6500 3738.8319 3855.4795 3508.0568 5762.1920 6887.1205 9834.7350 5705.5601 7851.2819 4918.3808 4524.8385 5523.3385 7765.7220 4300.9822 14034.3364 Niacinamide 721930.3159 793031.6725 948572.1624 493587.1079 950172.3741 1353728.9953 2008438.9687 860112.9037 1605762.8770 882525.5148 1400574.3297 1274060.3010 1316655.2153 974292.1818 2325706.0900 N-Methylurea 18200.4026 19747.7419 20125.8345 23774.7057 21086.9663 17177.5430 14078.9685 13483.5719 17579.5985 25166.1433 31597.3403 21225.4586 16718.7148 17305.2462 12545.5650 N_N^-Dimethylurea 72377.2944 71674.2605 72114.6140 52491.3246 58699.3605 71585.7322 66919.8715 26714.4752 52374.0787 51012.0512 71075.0985 45930.4625 50007.5157 65179.4217 31393.0248 N-Palmitoylsphingosine 11286.4381 13637.5320 75400.6542 2279.6151 45372.3999 40035.9904 14537.1581 6388.0389 44521.0380 9995.9952 21868.7978 30144.6701 43935.0777 18155.4930 161203.8608 Octanoylcarnitine 72033.7035 73149.1457 47707.4262 73713.3714 51993.9033 47663.5949 46941.7085 39269.2739 43601.4650 75456.1751 57524.0194 50054.3391 38984.2620 44647.7463 24793.9366 O-Phosphorylethanolamine 410146.8149 792460.2521 1158838.9352 256338.7623 667618.6369 1020327.4283 1724022.6333 608844.4206 1142790.1209 743218.4834 1491601.1880 1192327.0746 1535316.7060 748586.7541 2099691.3303 Ornithine 5972.7112 9806.4552 11048.0059 4656.9091 16598.6588 25114.2568 37060.6125 8022.2952 14351.1522 8656.1238 11425.9846 16799.3693 15724.3217 10019.9193 69745.3647 Palmitoyl-L-carnitine 564245.5480 509286.9197 424396.3210 464586.6786 838012.5186 1184219.9299 762134.8176 455168.4597 1522421.4547 672199.3666 984184.3646 1923450.0387 1647885.8777 1185597.0269 2717466.1388 Pantoic acid 787346.0748 520403.8538 741072.2774 786388.5304 824433.4727 558740.2720 814509.8901 876305.2909 894289.4993 840894.1488 777868.1401 782892.6680 504308.8635 885178.1277 917987.3226 Pantothenic Acid 2592.8484 2747.4720 2542.0738 2849.9969 2549.7298 1952.5582 2117.6085 2576.2514 2116.0785 2488.2524 2248.0683 2733.1320 2266.8617 2295.2543 2627.9613 PC(10:0/11:0)[U] 18039.4280 8157.7153 10930.8357 5837.2640 16282.3934 5069.5206 1991.4139 5430.6114 4660.9553 9635.5679 23435.3333 38426.5700 19627.2665 12557.0320 2221.5244 PC(10:0/13:0)[U] 7465.5823 4213.1375 5256.5690 3496.5925 6000.3216 2382.1932 211.8697 2914.1490 2426.2872 5101.8507 11448.7659 13657.9751 10460.3114 6362.6525 465.2809 PC(16:0/0:0) 85685.0883 67858.6644 146460.6996 34821.5043 161005.3803 137053.5424 282988.9754 95739.9656 287551.4690 158852.2165 339283.8432 283915.1407 344801.2554 219835.9889 391805.5445 PC(16:0/5:1(4E)) 3471.2527 4338.4182 4095.0673 3782.5821 4398.4093 3721.9971 2999.5438 3025.9600 3157.8442 4054.5217 5339.2673 5444.1994 4868.7387 4035.2697 3062.0473 PC(18:1(9Z)/0:0)[U] / PC(18:1(9Z)/0:0)[rac] 10202.3594 12260.7720 23578.9612 5950.6871 22765.5288 22963.2201 26157.6551 14290.0783 44503.4440 20529.6345 31533.9850 44130.6985 35105.1021 24180.2297 30774.6622 PC(20:4(5Z_8Z_11Z_14Z)/0:0) 8027.1123 7556.2598 11420.8160 5164.4389 13592.1966 15980.8856 17726.9429 10940.6141 26089.1357 13604.6746 23524.9280 23283.5890 25389.6292 15922.6083 28235.0894 PC(24:0/0:0) 5119.5067 2484.7269 2957.1354 985.0974 3612.3914 1798.2889 438.4195 1992.8997 2003.5296 2746.1304 11022.0905 12292.4477 12244.7846 4123.5459 3121.1763 Phenylalanine 55751.3635 168285.4776 308220.2262 60646.7851 259377.8706 379870.2298 663299.4517 194992.5818 684469.7644 224003.3026 311697.5996 205269.0743 237830.7834 323036.3447 760665.2833 Phosphocholine 764340.5798 910819.5956 955537.8643 549366.2200 1202991.6372 1769844.7647 2749556.1460 876977.0613 1823941.9213 1177563.6187 1302972.0957 1370939.5627 1353051.8690 840919.2095 2820650.2433 Phospho-L-serine 905.5779 1299.4843 1717.8326 1810.6315 1591.6779 1186.3958 60.4749 1839.9211 1016.3298 1386.1576 1293.2563 1304.8689 1239.1000 1499.2615 0.0000 Phosphoric acid 9273613.9150 11020422.1100 13264877.5233 6148877.4083 13474516.5050 15643363.1600 25792772.5733 9260906.4093 16745819.5500 9982754.1090 15093433.3967 13210729.4533 12854832.2233 11907387.2167 20666249.7033 Phosphorylcholine 4716.3321 4638.6666 4956.1536 5041.0776 4264.7828 3538.2510 5707.8908 4362.6835 4270.3022 4518.1234 3787.8791 4777.2670 4795.8039 4850.2823 6152.4179 progesterone 1745.2362 2703.6205 2266.7921 1988.7979 2156.4833 2544.5874 2669.9432 2361.2003 2183.6502 2060.1468 2293.7235 2385.1706 2464.4342 1587.7291 2402.4419 Proline 444776.3976 541874.4602 1010436.9077 294972.5437 849016.4982 1132214.6625 2146414.7203 619900.5617 1275827.6070 626927.7617 852863.3807 821419.0362 962993.0824 754733.9314 2082369.4535 Propionyl-L-carnitine 286551.3998 338498.5034 421805.8991 267635.9317 505251.3114 512365.0470 1664472.5660 404173.2552 920933.6117 368436.8920 1089653.6223 740912.0602 968403.2885 623211.5500 1341703.5872 PS(19:0/0:0) 3868.1595 3610.4915 2912.3655 3276.7451 1455.4270 1468.2159 1661.7846 4170.7078 685.4950 3728.9402 3266.8806 2888.9817 1629.2575 2101.3692 523.9142 PS(22:1(11Z)/0:0) 31400.3205 12575.9267 15887.8664 10268.3777 24754.3216 7484.3052 1941.7287 8596.1263 7102.9046 14678.9767 36571.8462 75158.4528 30797.1108 22494.0652 2616.3556 Psychosine 6208.1625 6995.3229 3925.6800 5075.5030 3222.2580 2402.4205 4386.8746 5528.5620 3584.9836 5859.8061 5126.3626 5064.2211 2378.4081 5519.2810 1967.5436 Putrescine 20017.3488 22952.2994 81223.3994 9679.5154 73344.2607 86412.9855 387747.7817 104730.4751 151823.9794 48682.5638 96206.6324 24202.0226 42078.2886 102449.1494 236042.0620 Pyridoxal (Vitamin B6) 61174.6246 71610.0435 36135.4247 63120.3365 69453.6149 63863.5192 73768.1878 64840.0010 77431.3504 56479.4580 50208.7850 59447.8535 60238.8917 61004.5123 75160.6736 Pyridoxamine 7573.5040 9055.4927 10090.2495 7752.5105 9058.8483 8699.2767 6316.1909 12353.3283 8903.4985 8357.9479 6593.2029 13921.4621 7808.6531 5334.3923 10055.6975 Pyridoxate 151.7683 1247.9365 2500.8075 0.0000 2512.0083 4351.4047 2659.7908 132.4712 1453.0868 621.8665 1322.3294 755.4484 1562.8154 945.3927 2503.6946 Pyrrolidone-5-carboxylic acid 54850.5057 73450.4964 131786.1737 30160.2543 139515.4857 216259.7538 517246.8302 65405.7296 212158.0775 69475.7314 129933.6651 113752.8035 106237.3777 95871.3938 417246.8707 Quinic acid 1777.9752 2300.7823 1726.0253 1881.8043 2106.6063 2142.1470 1387.1376 1874.6515 2468.3757 1636.4921 2254.1376 2797.5926 2141.3311 2287.3522 1785.6034 Retinoic acid 2962.1463 2310.4767 2727.7741 2641.7133 2249.9127 2804.1162 2468.9964 2868.6246 2210.2159 2756.8024 2207.6990 2067.5977 3221.5748 2656.5957 2423.2589 Ribitol 425164.1630 147106.1253 429184.1693 300753.7306 289908.8487 152855.5919 147759.5203 119052.6498 389044.8698 102019.2448 420577.0066 386399.7748 135690.5262 410318.8049 288300.3724 Ribose 5-phosphate 376.3376 638.3287 2189.7764 494.0892 1341.8480 2537.6493 1339.9800 297.1742 907.8141 340.7859 1387.3156 156.9196 1118.7898 604.4571 2379.7776 Sarcosine 166105.9181 142264.8686 143301.1155 159056.6493 153686.5576 142722.1652 175589.6656 166335.0087 159615.7860 184576.4799 218158.9680 177483.8288 161154.0929 166206.0046 169689.4846 Selenium Sulfide 6426.6848 4490.5965 6579.8080 4552.8350 5097.7773 7336.6591 6484.7898 5386.3474 7916.2945 6433.9191 7780.5643 6361.6488 10786.5058 7533.5956 8803.0897 Selenocysteine 8042.6184 9536.8896 5403.4423 8881.4776 5895.1946 5424.8275 16369.5050 7541.8606 4303.5702 8004.5569 7416.9466 7672.7901 7896.2527 6977.2789 12099.6933 Serine 189052.8126 324691.3212 624499.8782 146193.0099 447299.9956 677093.8421 1461185.2400 464441.3486 1315281.6217 461933.0960 687048.2440 542828.4634 560214.4760 636511.4533 1466100.8137 Serotonin 6777.9279 7812.8922 6408.3615 5921.2964 6933.9836 6286.1174 8055.3743 6695.6025 6494.7442 6231.3761 6436.0357 7042.0684 6468.3281 6118.9040 5229.3713 Skatole 15459.9974 12526.9425 18085.2756 11262.3849 16227.9839 19703.2389 17544.0553 18168.1198 20835.0596 18710.7860 12985.4928 10374.0518 8675.9011 13484.2227 18141.9153 Spermine 218463.5060 201562.1059 183446.2976 257299.1274 265290.3821 237002.0491 225839.6987 95068.4957 101215.7561 151652.5124 207101.7616 76604.4637 80699.7338 84394.1883 84230.4724 Sphinganine 2516.4778 2377.1479 2247.4535 1592.1946 2997.2120 1996.8588 2426.5837 1564.3939 3435.4373 2558.1531 3549.8668 3591.8317 2951.2237 2839.6899 2423.9817 Stearoylcarnitine 46280.8855 49132.2911 48459.4661 21271.1116 82868.1997 157657.7580 142214.4943 50750.2307 310422.4223 60188.2675 144637.7515 421752.7683 218171.6443 394445.8214 378094.6189 Succinate 6203.3055 1760.5266 6190.3942 4331.5239 8545.6108 13910.9441 16107.5183 3654.4375 7737.4686 4639.3243 7720.3875 5361.2187 6825.0054 4337.8685 6220.3838 Succinic acid semialdehyde 4497.5625 4956.0560 5967.8857 2979.6777 6764.5299 4680.2493 13337.4860 4322.8156 6957.6478 4269.7847 5691.1816 4005.1061 4656.6940 5376.4474 4747.1234 Sucrose 46.1103 49.0790 164.7957 97.0886 46.0914 159.8539 1076.1537 23.2334 209.0018 57.5313 65.2464 23.8795 140.0584 26.6207 515.9317 Sulfite 39415.4530 47940.0189 66209.3959 25589.9495 67338.5975 54990.3155 102893.3787 33799.2225 53777.1220 44323.5413 45193.4765 31705.8855 32577.7926 50087.4869 39010.4130 Taurine 6939334.7537 7195877.4833 8810956.1507 4138244.0433 8940701.2580 15177422.5500 16970313.7767 7719233.9713 14211515.4280 7369571.9363 14511320.8833 11071012.2800 14223184.7733 7651486.4023 21393507.4167 Testosterone 2148.2916 2169.7150 1100.6415 1823.3566 1344.9473 1749.9967 1809.0674 1649.9083 1469.7963 1545.0788 1589.4143 2162.3869 1828.2654 1920.0546 1721.0101 Thiamine 589.9610 2243.4645 3860.8253 563.2560 3486.2319 6334.4712 8122.9115 4069.9311 12321.0708 3143.4595 6433.1654 2574.5541 4967.3930 5203.3192 8453.1101 Threonine 276437.5804 443573.3076 834654.0890 184745.7657 485023.8515 921303.3076 1923059.1683 456047.2456 1391730.3489 630604.4836 672760.6642 614765.3425 643915.2893 702533.8867 1935143.9700 Thymine 3624.7313 4000.0151 4303.3762 4954.7125 4040.7970 4842.4094 4102.4505 4940.9494 4594.1663 4406.6447 4732.8616 3673.9781 3936.3266 4594.1652 4099.4986 Trigonellinamide 10262.0550 11055.9596 13198.2992 11271.7932 15434.5425 24765.5273 32239.0716 17385.9813 25587.1139 16810.8824 21235.9191 16920.7431 19418.4946 21370.9567 71157.5997 Trigonelline 39035.6439 28184.2614 35741.2263 12586.3362 24036.7617 31671.9108 31754.3317 17152.3922 31975.5192 19799.2609 30923.1618 44595.4717 32450.3883 20004.9749 35671.1383 Tryptophan 4185.9060 16214.4087 44597.8636 4852.4343 24330.6298 39163.5180 100935.6568 17849.4776 85154.0969 21235.7272 29398.2868 18026.8106 22338.7901 35048.9144 67945.4685 Tryptophol 1811.8858 1803.2394 1652.4130 1628.7047 1794.2404 1624.4342 1573.5727 1667.9755 1491.4961 1582.4929 1965.0965 2300.6940 1997.9684 1760.2385 2106.2722 Tyramine 7648.9524 16871.2297 11293.7893 14970.9222 18393.7222 18053.9916 15933.7337 19446.7327 18872.6535 30518.5117 20015.0844 10510.8259 16797.0780 17420.2475 17049.2113 Tyrosine 42399.1347 136090.4234 249373.9485 43263.1458 217802.0431 244125.8496 636806.8055 146560.0920 434515.3197 148876.2267 232177.1516 145432.8150 127404.9253 236468.5337 559959.3960 UDP 2466.7227 2177.1930 2865.6009 934.1432 2470.0663 5189.2112 4276.4862 1523.1619 3075.9390 1785.3386 3359.2046 2272.3630 4637.2554 1779.7015 8542.7779 UDP-D-galactose 2623.5197 3464.1705 3563.6687 1391.1519 3676.5109 5322.2432 3874.8443 2622.6160 3397.0084 2768.0438 3547.7547 2738.2789 5760.1949 2827.5342 7427.1982 UDP-N-acetyl-D-galactosamine 12928.9389 12651.2614 16918.7169 7323.5972 15805.9392 21237.2719 28890.2160 11186.1161 17954.6331 11490.4906 17443.8741 20419.3268 24621.7088 15915.8000 38781.4992 UMP 3903.0427 5799.9378 5295.5464 1171.0089 8462.3751 9984.5891 7348.6193 3112.5850 8854.4916 4844.8934 7528.4179 5580.9748 9659.4585 3581.9583 10862.4926 Uric acid 6888.2347 6587.5675 3501.1645 8675.4805 5418.0048 4231.1378 1466.0520 6825.6316 4922.2615 7927.9364 5368.7173 7075.2397 6971.6400 5237.4236 2369.9476 Urocanic acid 5512.7091 5177.8897 4833.5879 8885.2919 5711.2507 12487.4099 15897.8792 5319.6620 13343.6727 7546.2908 3690.7853 4921.1386 6957.6047 5732.2628 5106.0831 Valine 17635988.3400 18908068.5400 23996604.7567 14118002.8100 26023087.2500 33525200.6733 48123943.1933 19946761.1700 33164559.0567 21037646.0967 34208477.6067 23480105.1300 32384441.4333 22302981.7967 47048878.0500 Xylitol 3147.0482 3211.2305 3077.0996 3349.6928 3271.0501 3613.0285 3543.3810 3139.4655 3169.4021 3550.9679 3046.5708 3384.3122 3360.3115 3645.7184 2917.0150 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-Linoleoylglycerophosphocholine C04100 C04100 NYU_Xin_Li_Lab 24,25-hydroxyvitamin D3 C07712 C07712 NYU_Xin_Li_Lab 2-Methylbutyroylcarnitine HMDB00378 NYU_Xin_Li_Lab 2-Pyrrolidinone HMDB02039 NYU_Xin_Li_Lab 3-Hydroxy-L-proline C04397 C04397 NYU_Xin_Li_Lab 3-Methyl-2-oxovaleric acid C03465 C03465 NYU_Xin_Li_Lab 4-Aminobutyraldehyde C00555 C00555 NYU_Xin_Li_Lab 4-Guanidinobutanamide C03078 C03078 NYU_Xin_Li_Lab 4-Guanidinobutanoic acid C01035 C01035 NYU_Xin_Li_Lab 4-Hydroxypyridine NYU_Xin_Li_Lab 7-ketocholesterol LMST01010049 NYU_Xin_Li_Lab Acetylcarnitine C02571 C02571 NYU_Xin_Li_Lab Acetylcholine C01996 C01996 NYU_Xin_Li_Lab Acetyl-L-serine C00979 C00979 NYU_Xin_Li_Lab Adenosine C00212 C00212 NYU_Xin_Li_Lab ADMA C03626 C03626 NYU_Xin_Li_Lab ADP-ribose C00301 C00301 NYU_Xin_Li_Lab Agmatine C00179 C00179 NYU_Xin_Li_Lab Alanine C00041 C00041 NYU_Xin_Li_Lab Allantoate C00499 C00499 NYU_Xin_Li_Lab Aminoadipic acid C00956 C00956 NYU_Xin_Li_Lab Aminoethylphosphonic acid C03557 C03557 NYU_Xin_Li_Lab Aminopropanol NYU_Xin_Li_Lab AMP C00020 C00020 NYU_Xin_Li_Lab Anthranilic acid C00108 C00108 NYU_Xin_Li_Lab Arabitol C00532 C00532 NYU_Xin_Li_Lab Arachidonic Acid C00219 C00219 NYU_Xin_Li_Lab Arachidonoyl Ethanolamide C11695 C11695 NYU_Xin_Li_Lab Arginine C00062 C00062 NYU_Xin_Li_Lab Asparagine C00152 C00152 NYU_Xin_Li_Lab Aspartate C00049 C00049 NYU_Xin_Li_Lab Aspartic acid b-semialdehyde C00441 C00441 NYU_Xin_Li_Lab Benzoic acid C00180 C00180 NYU_Xin_Li_Lab Betaine C00719 C00719 NYU_Xin_Li_Lab Betaine aldehyde C00576 C00576 NYU_Xin_Li_Lab Biotin C00120 C00120 NYU_Xin_Li_Lab Biotin amide C01893 C01893 NYU_Xin_Li_Lab Butyric acid C00246 C00246 NYU_Xin_Li_Lab Butyryl-L-carnitine C02862 C02862 NYU_Xin_Li_Lab C-2 Ceramide LMSP02010014 NYU_Xin_Li_Lab Cadaverine C01672 C01672 NYU_Xin_Li_Lab Caprylic acid C06423 C06423 NYU_Xin_Li_Lab Carnitine C00318 C00318 NYU_Xin_Li_Lab Carnosine C00386 C00386 NYU_Xin_Li_Lab CDPcholine C00307 C00307 NYU_Xin_Li_Lab CDP-ethanolamine C00570 C00570 NYU_Xin_Li_Lab Cer(d18:0/13:0) LMSP02020020 NYU_Xin_Li_Lab Cer(d18:0/16:0) LMSP02020001 NYU_Xin_Li_Lab Cer(d18:0/17:0) LMSP02020022 NYU_Xin_Li_Lab Cholecalciferol C05443 C05443 NYU_Xin_Li_Lab Cholic acid C00695 C00695 NYU_Xin_Li_Lab Choline C00114 C00114 NYU_Xin_Li_Lab Citrulline C00327 C00327 NYU_Xin_Li_Lab CMP C00055 C00055 NYU_Xin_Li_Lab CMP-N-acetylneuraminic acid C00128 C00128 NYU_Xin_Li_Lab Coumaric acid C00811 C00811 NYU_Xin_Li_Lab Creatine C00300 C00300 NYU_Xin_Li_Lab Cyclic CMP C00941 C00941 NYU_Xin_Li_Lab Cystathionine C02291 C02291 NYU_Xin_Li_Lab Cysteine C00491 C00491 NYU_Xin_Li_Lab Cysteineglutathione disulfide HMDB00656 NYU_Xin_Li_Lab Cytidine C00475 C00475 NYU_Xin_Li_Lab Cytosine C00380 C00380 NYU_Xin_Li_Lab delta-Tocopherol C14151 C14151 NYU_Xin_Li_Lab Deoxycytosine C02026 C02026 NYU_Xin_Li_Lab Dethiobiotin C01909 C01909 NYU_Xin_Li_Lab DG(17:1(9Z)/17:1(9Z)/0:0) LMGL02010021 NYU_Xin_Li_Lab DG(17:2(9Z,12Z)/18:0/0:0) LMGL02010092 NYU_Xin_Li_Lab Diethanolamine C06772 C06772 NYU_Xin_Li_Lab Distearyl phosphatidyl ethanolamine NYU_Xin_Li_Lab DL-2-Aminoadipic acid HMDB00510 NYU_Xin_Li_Lab Docosanamide HMDB00583 NYU_Xin_Li_Lab Dodecanoylcarnitine HMDB02250 NYU_Xin_Li_Lab Dopamine C03758 C03758 NYU_Xin_Li_Lab Elaidic carnitine HMDB06464 NYU_Xin_Li_Lab Ergothioneine C05570 C05570 NYU_Xin_Li_Lab Erythritol C00503 C00503 NYU_Xin_Li_Lab Formimino-L-glutamic acid C00439 C00439 NYU_Xin_Li_Lab Gamma-Butyrolactone C01770 C01770 NYU_Xin_Li_Lab Glucosamine 1-phosphate C06156 C06156 NYU_Xin_Li_Lab Glucose C00221 C00221 NYU_Xin_Li_Lab Glucose 6-phosphate C00092 C00092 NYU_Xin_Li_Lab Glutamate C00025 C00025 NYU_Xin_Li_Lab Glutamic acid g-semialdehyde C01165 C01165 NYU_Xin_Li_Lab Glutamine C00064 C00064 NYU_Xin_Li_Lab Glutathione C00051 C00051 NYU_Xin_Li_Lab Glutathione, oxidized C00127 C00127 NYU_Xin_Li_Lab Glyceraldehyde 3-phosphate C00118 C00118 NYU_Xin_Li_Lab Glyceric acid C00258 C00258 NYU_Xin_Li_Lab Glycerol C00116 C00116 NYU_Xin_Li_Lab Glycerophosphocholine C00670 C00670 NYU_Xin_Li_Lab Glycerylphosphorylethanolamine HMDB00114 NYU_Xin_Li_Lab Glycine C00037 C00037 NYU_Xin_Li_Lab Glycocholic Acid C01921 C01921 NYU_Xin_Li_Lab GMP C00144 C00144 NYU_Xin_Li_Lab Guanidineacetic acid C00581 C00581 NYU_Xin_Li_Lab Guanine C00242 C00242 NYU_Xin_Li_Lab H2O4S C00059 C00059 NYU_Xin_Li_Lab Hexanoylcarnitine HMDB00756 NYU_Xin_Li_Lab Histamine C00388 C00388 NYU_Xin_Li_Lab Histidinal C01929 C01929 NYU_Xin_Li_Lab Histidine C00135 C00135 NYU_Xin_Li_Lab Histidinol C00860 C00860 NYU_Xin_Li_Lab Homoserine C00263 C00263 NYU_Xin_Li_Lab Homovanillic acid C05582 C05582 NYU_Xin_Li_Lab Hydrogen selenide C01528 C01528 NYU_Xin_Li_Lab Hydroxy butyric acid C01089 C01089 NYU_Xin_Li_Lab Hydroxyhydroquinone C02814 C02814 NYU_Xin_Li_Lab Hydroxy-L-glutamic acid C03079 C03079 NYU_Xin_Li_Lab Hydroxylysine C01211 C01211 NYU_Xin_Li_Lab Hypotaurine C00519 C00519 NYU_Xin_Li_Lab Hypoxanthine C00262 C00262 NYU_Xin_Li_Lab Imidazoleacetic acid C02835 C02835 NYU_Xin_Li_Lab IMP C00130 C00130 NYU_Xin_Li_Lab Inosine C00294 C00294 NYU_Xin_Li_Lab Isobutyryl-L-carnitine C02862 C02862 NYU_Xin_Li_Lab Isoleucine C00407 C00407 NYU_Xin_Li_Lab Isovaleric acid C08262 C08262 NYU_Xin_Li_Lab Ketoleucine C00233 C00233 NYU_Xin_Li_Lab Kynuramine HMDB12246 NYU_Xin_Li_Lab Kynurenic acid C01717 C01717 NYU_Xin_Li_Lab Lauric acid C02679 C02679 NYU_Xin_Li_Lab L-Homocysteic acid C16511 C16511 NYU_Xin_Li_Lab Linoleyl carnitine HMDB06469 NYU_Xin_Li_Lab Lysine C00047 C00047 NYU_Xin_Li_Lab LysoPE HMDB11489 NYU_Xin_Li_Lab Malonylcarnitine HMDB02095 NYU_Xin_Li_Lab Metformin C07151 C07151 NYU_Xin_Li_Lab Methionine C00073 C00073 NYU_Xin_Li_Lab Methylcytidine HMDB00982 NYU_Xin_Li_Lab Methylglutarylcarnitine HMDB00552 NYU_Xin_Li_Lab Methylhistamine C05127 C05127 NYU_Xin_Li_Lab Methyl-L-histidine C01152 C01152 NYU_Xin_Li_Lab Mevalonic acid C00418 C00418 NYU_Xin_Li_Lab N1-Acetylspermidine C00612 C00612 NYU_Xin_Li_Lab N2-Acetyl-L-ornithine C00437 C00437 NYU_Xin_Li_Lab Na-Acetyl-L-glutamine HMDB06029 NYU_Xin_Li_Lab N-acetylaspartate C01042 C01042 NYU_Xin_Li_Lab N-Acetylcadaverine HMDB02284 NYU_Xin_Li_Lab N-Acetyl-DL-methionine HMDB11745 NYU_Xin_Li_Lab N-Acetyl-L-alanine HMDB00766 NYU_Xin_Li_Lab N-Acetyl-L-glutamic acid C00624 C00624 NYU_Xin_Li_Lab N-Acetylneuraminic Acid C00270 C00270 NYU_Xin_Li_Lab N-Acetylputrescine C02714 C02714 NYU_Xin_Li_Lab N-Acetylserotonin C00978 C00978 NYU_Xin_Li_Lab N-Acryloylglycine HMDB01843 NYU_Xin_Li_Lab NAD C00003 C00003 NYU_Xin_Li_Lab N-Carbamoylputrescine C00436 C00436 NYU_Xin_Li_Lab Ne-Methyl-L-lysine C02728 C02728 NYU_Xin_Li_Lab Niacinamide C00153 C00153 NYU_Xin_Li_Lab N-Methylurea C16363 C16363 NYU_Xin_Li_Lab N,N'-Dimethylurea C16364 C16364 NYU_Xin_Li_Lab N-Palmitoylsphingosine HMDB00790 NYU_Xin_Li_Lab Octanoylcarnitine C02838 C02838 NYU_Xin_Li_Lab O-Phosphorylethanolamine C00346 C00346 NYU_Xin_Li_Lab Ornithine C01602 C01602 NYU_Xin_Li_Lab Palmitoyl-L-carnitine C02990 C02990 NYU_Xin_Li_Lab Pantoic acid C00522 C00522 NYU_Xin_Li_Lab Pantothenic Acid C00864 C00864 NYU_Xin_Li_Lab PC(10:0/11:0)[U] LMGP01010383 NYU_Xin_Li_Lab PC(10:0/13:0)[U] LMGP01010385 NYU_Xin_Li_Lab PC(16:0/0:0) C04102 C04102 NYU_Xin_Li_Lab PC(16:0/5:1(4E)) LMGP01010673 NYU_Xin_Li_Lab PC(18:1(9Z)/0:0)[U] / PC(18:1(9Z)/0:0)[rac] LMGP01050033 NYU_Xin_Li_Lab PC(20:4(5Z,8Z,11Z,14Z)/0:0) LMGP01050048 NYU_Xin_Li_Lab PC(24:0/0:0) LMGP01050057 NYU_Xin_Li_Lab Phenylalanine C00079 C00079 NYU_Xin_Li_Lab Phosphocholine C00588 C00588 NYU_Xin_Li_Lab Phospho-L-serine C01005 C01005 NYU_Xin_Li_Lab Phosphoric acid C00009 C00009 NYU_Xin_Li_Lab Phosphorylcholine C00588 C00588 NYU_Xin_Li_Lab progesterone C00410 C00410 NYU_Xin_Li_Lab Proline C00148 C00148 NYU_Xin_Li_Lab Propionyl-L-carnitine C03017 C03017 NYU_Xin_Li_Lab PS(19:0/0:0) LMGP03050028 NYU_Xin_Li_Lab PS(22:1(11Z)/0:0) LMGP03050023 NYU_Xin_Li_Lab Psychosine C01747 C01747 NYU_Xin_Li_Lab Putrescine C00134 C00134 NYU_Xin_Li_Lab Pyridoxal (Vitamin B6) C00250 C00250 NYU_Xin_Li_Lab Pyridoxamine C00534 C00534 NYU_Xin_Li_Lab Pyridoxate C00847 C00847 NYU_Xin_Li_Lab Pyrrolidone-5-carboxylic acid C02237 C02237 NYU_Xin_Li_Lab Quinic acid C00296 C00296 NYU_Xin_Li_Lab Retinoic acid C00777 C00777 NYU_Xin_Li_Lab Ribitol C00474 C00474 NYU_Xin_Li_Lab Ribose 5-phosphate C00117 C00117 NYU_Xin_Li_Lab Sarcosine C00213 C00213 NYU_Xin_Li_Lab Selenium Sulfide HMDB15106 NYU_Xin_Li_Lab Selenocysteine C02432 C02432 NYU_Xin_Li_Lab Serine C00065 C00065 NYU_Xin_Li_Lab Serotonin C00780 C00780 NYU_Xin_Li_Lab Skatole C08313 C08313 NYU_Xin_Li_Lab Spermine C00750 C00750 NYU_Xin_Li_Lab Sphinganine C00836 C00836 NYU_Xin_Li_Lab Stearoylcarnitine HMDB00848 NYU_Xin_Li_Lab Succinate C00042 C00042 NYU_Xin_Li_Lab Succinic acid semialdehyde C00232 C00232 NYU_Xin_Li_Lab Sucrose C00089 C00089 NYU_Xin_Li_Lab Sulfite C00094 C00094 NYU_Xin_Li_Lab Taurine C00245 C00245 NYU_Xin_Li_Lab Testosterone C00535 C00535 NYU_Xin_Li_Lab Thiamine C00378 C00378 NYU_Xin_Li_Lab Threonine C00188 C00188 NYU_Xin_Li_Lab Thymine C00178 C00178 NYU_Xin_Li_Lab Trigonellinamide C02918 C02918 NYU_Xin_Li_Lab Trigonelline C01004 C01004 NYU_Xin_Li_Lab Tryptophan C00078 C00078 NYU_Xin_Li_Lab Tryptophol C00955 C00955 NYU_Xin_Li_Lab Tyramine C00483 C00483 NYU_Xin_Li_Lab Tyrosine C00082 C00082 NYU_Xin_Li_Lab UDP C00015 C00015 NYU_Xin_Li_Lab UDP-D-galactose C00052 C00052 NYU_Xin_Li_Lab UDP-N-acetyl-D-galactosamine C00203 C00203 NYU_Xin_Li_Lab UMP C00105 C00105 NYU_Xin_Li_Lab Uric acid C00366 C00366 NYU_Xin_Li_Lab Urocanic acid C00785 C00785 NYU_Xin_Li_Lab Valine C00183 C00183 NYU_Xin_Li_Lab Xylitol C00379 C00379 NYU_Xin_Li_Lab METABOLITES_END #END