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C-1ZQ87-S-01_002 C-1ZQ53-S-01_002 C-1ZQC3-S-01_002 chearplasma_5e_2 chearplasma_5f_2 q3June2014_5b_2 q3June2014_6a_2 chearplasma_6a_2 chearplasma_6b_2 C-1ZQD0-S-01_002 C-1ZQF6-S-01_002 C-1ZQE8-S-01_002 C-1ZQB5-S-01_002 C-1ZQ38-S-01_002 C-1ZV33-S-01_002 C-1ZV41-S-01_002 C-1ZSN6-S-01_002 C-1ZV66-S-01_002 C-1ZSP2-S-01_002 C-1ZSQ0-S-01_002 C-1ZSR8-S-01_002 C-1ZV58-S-01_002 C-1ZV74-S-01_002 C-1ZV82-S-01_002 C-1ZV90-S-01_002 C-1ZVA2-S-01_002 C-1ZX98-S-01_002 C-1ZX80-S-01_002 C-1ZVP9-S-01_002 chearplasma_6c_2 chearplasma_6d_2 C-1ZVQ7-S-01_002 C-1ZVR5-S-01_002 C-1ZVS2-S-01_002 C-1ZXC6-S-01_002 C-1ZXD3-S-01_002 C-1ZXA0-S-01_002 C-1ZVT0-S-01_002 C-1ZVU8-S-01_002 C-1ZVV6-S-01_002 C-1ZXF9-S-01_002 C-1ZXE1-S-01_002 C-1ZXG7-S-01_002 C-1ZRR9-S-01_002 C-1ZRS6-S-01_002 C-1ZRU2-S-01_002 C-1ZRV0-S-01_002 C-1ZU91-S-01_002 C-1ZVW4-S-01_002 C-1ZVX1-S-01_002 C-1ZRT4-S-01_002 chearplasma_6e_2 chearplasma_6f_2 q3June2014_6b_2 q3June2014_7a_2 chearplasma_7a_2 chearplasma_7b_2 C-1ZRW8-S-01_002 C-1ZRX5-S-01_002 C-1ZRY3-S-01_002 C-1ZQH2-S-01_002 C-1ZQJ7-S-01_002 C-1ZUB1-S-01_002 C-1ZVY9-S-01_002 C-1ZW08-S-01_002 C-1ZYN0-S-01_003 C-1ZZ21-S-01_002 C-1ZYY6-S-01_002 C-1ZYX8-S-01_002 C-1ZZ13-S-01_002 C-1ZYG6-S-01_002 C-1ZZ39-S-01_002 C-1ZZ05-S-01_002 C-1ZZ47-S-01_002 C-1ZZ88-S-01_002 C-1ZZ70-S-01_002 C-1ZZ62-S-01_002 chearplasma_7c_2 chearplasma_7d_2 C-1ZZ54-S-01_002 C-1ZZ96-S-01_002 C-1ZSS5-S-01_002 C-1ZZA8-S-01_002 C-1ZZC4-S-01_002 C-1ZZB6-S-01_002 C-1ZST3-S-01_002 C-1ZZE9-S-01_002 C-1ZZD1-S-01_002 C-1ZZF7-S-01_002 C-20180-S-01_002 C-20198-S-01_002 C-1ZNB8-S-01_002 C-1ZND3-S-01_002 C-1ZZG5-S-01_002 C-201C6-S-01_002 C-201B8-S-01_002 C-201A0-S-01_002 C-20172-S-01_002 C-1ZSV9-S-01_002 chearplasma_7e_2 chearplasma_7f_2 q3June2014_7b_2 q3June2014_8a_2 chearplasma_8a_2 chearplasma_8b_2 C-201D3-S-01_002 C-1ZNE1-S-01_002 C-1ZNC6-S-01_002 C-1ZSU1-S-01_002 C-1ZNF9-S-01_002 C-1ZNG7-S-01_002 C-1ZT19-S-01_002 C-1ZVN3-S-01_002 C-1ZVM6-S-01_002 C-1ZNH5-S-01_002 C-1ZNL6-S-01_002 C-1ZNJ0-S-01_002 C-1ZNN1-S-01_002 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C-1ZVF1-S-01_002 C-201K8-S-01_002 C-201H5-S-01_002 C-201L6-S-01_002 C-201J0-S-01_002 C-1ZP62-S-01_002 C-1ZNW2-S-01_002 C-1ZRP3-S-01_002 C-201M4-S-01_002 C-1ZTL0-S-01_002 C-1ZTJ4-S-01_002 C-1ZTM8-S-01_002 C-1ZT92-S-01_002 C-1ZTK2-S-01_002 C-1ZTN5-S-01_002 C-1ZTQ9-S-01_002 C-1ZTP1-S-01_002 C-1ZTT2-S-01_002 chearplasma_9e_2 chearplasma_9f_2 q3June2014_9b_2 q3June2014_10a_2 chearplasma_10a_2 chearplasma_10b_2 C-1ZTS4-S-01_002 C-1ZP96-S-01_002 C-1ZP88-S-01_002 C-1ZPC4-S-01_002 C-1ZPA8-S-01_002 C-1ZPD1-S-01_002 C-1ZPE9-S-01_002 C-1ZPF7-S-01_002 C-1ZPG5-S-01_002 C-1ZPH3-S-01_002 C-1ZRQ1-S-01_002 C-1ZTU0-S-01_002 C-1ZTR7-S-01_002 C-1ZVG9-S-01_002 C-1ZTW6-S-01_002 C-1ZTV8-S-01_002 C-1ZPK6-S-01_002 C-1ZPU4-S-01_002 C-1ZPJ8-S-01_002 chearplasma_10c_2 chearplasma_10d_2 C-20081-S-01_002 C-20065-S-01_002 C-20073-S-01_002 C-20032-S-00_002 C-20040-S-01_002 C-20057-S-01_002 C-1ZX56-S-01_002 C-1ZX49-S-01_002 C-1ZPN9-S-01_002 C-201P7-S-01_002 C-201Q5-S-01_002 C-1ZX64-S-01_002 C-1ZVH7-S-01_002 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3892423.5 5323122.4 4926555.8 5202167.8 7050420.7 1833496.4 5544521.2 2904219.3 842258.7 1891541.3 4634634.3 6635940 5392907.3 5772156.6 8365821.6 3061648.9 4869514.6 3655773.5 3975118.4 6072343.9 5068107.7 2732158.8 2086649.8 5951881.2 3068739.8 6107105 5207107.8 6790464.2 6648763.5 4364479.4 5907555.4 6923478.7 5534181.3 5512671.5 5295225.9 5479457.3 7297806.8 5406150 7812775 9675312.6 13795470.1 5648905.2 9082266 5718476 10151392.3 7619423.1 7070866.1 7557574.8 8709780.1 7349367.4 7017187.9 5600855.3 4602319.4 4507672.9 4761014.6 5433606.9 4619939.2 6006790.6 8766241.2 6853696.3 4281300 7672690.9 4192636.1 8423060.3 797596.2 9307959.7 3866774.6 11544966.4 7273581.4 6830029.7 5500257.9 5731760.6 7580736.4 4787447 5646770.9 6503462 5962956.7 4218411.8 6057902.5 4987027 6810740.3 0 8149046.4 3100973.5 10338599.6 8468901.4 7055984.9 13545533.2 3473347.4 3395123.5 8697972 3238222.1 5320551.9 4044918.3 2947721.7 2736043.8 5795272.2 3706360.7 5565371.5 3656204.6 3502204.8 3235871.5 7410739.6 7481008.2 6753474.3 5083096.2 7737797.6 9113289.9 5696280.3 6152372 3277176.1 6422896 3044192.1 5807365 4023033.7 5018437.9 7508829.8 4397766.8 6560930 7889404.6 7853021.5 6035025.2 4894738.9 6810430.7 7029334.9 4706719.6 6151705.4 5122615.9 2501322.5 7390349.9 8426864.1 9424242.4 5044939.2 7515428.1 3394390.4 1112685.7 3691126.1 4768173.6 4396605.8 4418002.8 3438482.7 9911613.9 4645406.6 7646209.4 8611960.2 3447827.3 3609084 4612163.7 6409551.9 10656181.6 5282592 8321898.9 5142833.9 6885343.2 4238498 5135767.7 6436292.8 4885384.8 1685079 8692344.6 6917497.2 9530251.3 5521644.8 7333015.4 6770501.2 6873896.3 9554591.6 6519935.9 10090940.8 8152489.8 4414511.5 8132232.9 7908449.8 7539780.3 6790306.2 6344111.1 6419306.2 5846046.8 4741360.8 765384.5 3173405.9 961355.7 0 0 4772134 6682414.8 3361524.4 5061423.3 4022700.8 5377682.3 5264912.1 4533094.9 6149362.8 6978983.7 8078998.8 5739672.3 5964445.3 3915273.3 6216409.9 5935437.8 7825747.4 7212752.6 10137343.4 7839935.5 5433521.2 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176939819.5 243815219.7 471288165 666150423.8 230911160.3 135930668.8 235836748.4 302071557.5 257396193.1 147759189.8 231854790.6 280193842.8 141216188.5 229232158.6 195493348.1 227212203 336637853 598895027.4 287365947 194709683.1 228468678.5 538177312.8 180717267.5 79689716.2 270569785.1 314503852.4 530097304.5 599682949 258873895.8 264345894.6 235114173.8 294874594 319488132.7 530984231.4 347194817.7 363554821.1 402734323.4 307724834.3 243744016.2 173623938.5 176238463.4 202208145.9 259041801.2 243232226.8 339340010 156208945.3 199396098.9 177872401.3 312657344 195462449.6 312455900.4 350387073 279341941 337631902.1 366568780 208984744 333570840.9 1168829480 335793318.6 315503409.7 313209507.8 286633778 468416584.7 241927661.7 283935177.9 167581727.5 269051259.3 406129586.5 270592072.8 311658509.9 383808942.2 504671715.3 428614476.5 1225980206 1135036605 Glycocholic acid 3404218.4 3447134.3 4643570.7 414406.7 3371472.2 1512940.8 5523626.2 0 1482068.2 0 13171320.2 0 4970153 0 11675898.3 0 0 28096736.4 11776387 0 2917314 11878218.5 117688480.2 8226639.5 3623052.3 4119999.4 0 7165250.2 0 618881.7 3865135.2 0 0 0 12867269 13645574.4 3850721.4 0 0 0 0 0 0 0 31452.7 4057186.4 2467787 5251871.8 4425987.1 8942256.6 1757405.4 0 0 7533908 0 0 0 0 2718915 0 0 21168973.7 0 14021966.1 26948949.2 12976889.7 0 1339009.3 19525711.9 29495897 0 4825528.2 3018576.3 1505032.7 0 0 21593170.5 2203333.4 10719763.6 2826356.2 23473321.3 7823004.6 0 0 0 0 8726213 0 54915346.5 0 4873581.9 9195006.6 8375124.2 5657504.3 3861522.3 7405574.4 2534878.3 6984103.5 3754040.8 7341060.8 17930186.8 8784044.4 0 0 1978014 21534069.6 0 0 0 7033025.5 979942.6 9844.8 0 18072943.5 0 0 4361571.9 0 142292457.3 5943914.8 1617982.4 19011137.1 5727761.6 844542.7 0 0 0 129748.8 0 18288045.4 0 0 0 1790583.9 15226914.7 0 0 0 0 0 6352973.6 7674146.4 3229031.5 6942664.5 5647087.5 2893315.2 409843.6 0 1408362.1 0 0 0 0 0 0 0 0 3957099.6 4724681.2 0 0 83284364.3 0 0 0 13602838 14372920 19831657.9 7470549 2879565.5 0 3241819.6 0 19889916.5 0 25494498 0 5455305.4 0 35588360.5 376045.7 5532300.1 0 0 0 6957220.8 0 18684657 28804568.8 23607265.1 7012525.8 249388.2 35291294.7 23056979.7 6315120.7 0 0 0 0 0 0 0 0 0 0 20755457.8 23408157.4 0 0 0 0 0 17237432.8 3879801.4 0 13964551.2 4037327.9 0 10592606.4 0 0 24462949.3 0 0 0 60580979.1 0 0 40670357.9 0 0 0 0 0 0 11195083.7 8408019.2 16493673.2 2979077.4 50284876.1 14983446.5 15212565.9 3231656.2 0 36524034.9 0 3881206.1 0 0 17301519.9 0 0 22076712.7 0 0 0 12446919.2 5129654.4 5123701 0 12832350.3 0 0 7905231.6 9191409 0 0 14059.6 0 14324473.8 0 16395912 11715513.9 0 18481687.9 0 0 11847981.2 0 13087418.5 42765741 32485700.7 0 27171589.4 3209739.4 7631452.2 7848341.4 4798014.8 38873499.2 0 14280796.7 0 0 4488344.5 5186179 0 5827336.1 0 0 0 2335206.3 0 6836907.3 27584588.1 87169500.8 0 3183136.6 12186668.6 2117222.5 0 7530778.3 6042180.1 0 0 349808.9 2435053.7 11911056.6 0 284947.4 48833410.3 0 1386068.7 0 6218760 5220327.5 0 3481023.2 5260542.9 0 0 0 0 12321145.4 9892077.3 7389773.1 6121336.8 4879686.1 7332125.3 0 8648388.4 5772785.6 16894169.9 0 0 0 1095007.1 35584930.1 435537.3 0 21987861.2 26640050.9 0 8216598.7 0 0 1750756.7 0 6491089.5 0 4592728.7 0 0 20777180.3 7083280.9 0 14345968 6080852.2 6983625.3 9421309.6 0 7016335.3 4007221 3280284.8 12441015.9 0 15270187.8 0 0 565743.9 9297899.2 5607554.6 19008258.7 0 9154028.6 8498153.5 0 0 0 6987936.4 11313209.6 0 23244204.6 1560619.6 7734490.3 0 0 0 0 0 0 5766816.5 17856681.2 0 13217268.6 44202916.4 9020447.3 11601084.6 0 1591984.6 0 0 0 0 23109744.5 25373373.6 5035015.4 0 4942652.1 3330684.6 7929592.5 3090114.7 0 3264392.3 0 0 149742837.8 65704377 7535893.7 3804508.1 0 0 0 2173013.8 3292081.4 3760586.8 1946609 3584970.7 0 4780803.8 2592776.6 3313758.1 7672427.6 3256973.6 4811867.9 5422233.8 5045055.4 4019088 6699683.2 0 0 2760875.3 4832472.1 0 5021923.5 3020306.1 2071424.5 1998603.1 0 0 0 3595646.8 0 0 2600627.3 2918843.7 2773023.5 4948691.2 4469202.3 4164068 0 3079665.1 16746867.5 0 36925643 24249790.1 0 18693897.9 0 19716851.1 0 0 0 149620 4317446.8 21876912.9 1431792.1 7117886.7 21876736.3 1376883 7715536.9 2395070.3 19040851.9 0 7190640 0 14404996.8 23522935.6 2477277 0 3863724.8 0 0 10143.7 0 5268044.8 9023599.2 0 0 0 4986361.7 0 3785560.8 4126192.9 7505491.2 metabolite_name chemical_ID InChiKey quantitated m/z retention time MSIcategory Adduct 2-Ketobutyric acid HMDB00005 InChIKey=TYEYBOSBBBHJIV-UHFFFAOYSA-N 101.0244 24.5 1 M-H Serine HMDB00187 InChIKey=MTCFGRXMJLQNBG-REOHCLBHSA-N 104.0353 22.2 1 M-H Glyceric acid HMDB00139 InChIKey=RBNPOMFGQQGHHO-UWTATZPHSA-N 105.0193 20.5 1 M-H Histamine HMDB00870 InChIKey=NTYJJOPFIAHURM-UHFFFAOYSA-N 110.0722 29.5 1 M-H Proline HMDB00162 InChIKey=ONIBWKKTOPOVIA-BYPYZUCNSA-N 114.056 26.3 1 M-H Acetylglycine HMDB00532 InChIKey=OKJIRPAQVSHGFK-UHFFFAOYSA-N 116.0353 19.5 1 M-H Heptanoic acid HMDB00666 InChIKey=MNWFXJYAOYHMED-UHFFFAOYSA-N 129.0922 30.1 1 M-H Ureidopropionic acid HMDB00026 InChIKey=JSJWCHRYRHKBBW-UHFFFAOYSA-N 131.0457 21.1 1 M-H Aspartic acid HMDB06483 InChIKey=CKLJMWTZIZZHCS-UWTATZPHSA-N 132.0302 19.4 1 M-H Phenylacetic acid HMDB00209 InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-N 135.0452 22.9 1 M-H Oxoglutaric acid HMDB00208 InChIKey=KPGXRSRHYNQIFN-UHFFFAOYSA-N 145.0142 21.3 1 M-H Glutamine HMDB00641 InChIKey=ZDXPYRJPNDTMRX-VKHMYHEASA-N 145.0619 21.4 1 M-H Citramalic acid HMDB00426 InChIKey=XFTRTWQBIOMVPK-UHFFFAOYSA-N 147.0296 22.5 1 M-H trans-Cinnamic acid HMDB00930 InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-N 147.0451 28.1 1 M-H Mevalonic acid HMDB00227 InChIKey=KJTLQQUUPVSXIM-UHFFFAOYSA-N 147.0662 15.1 1 M-H Methionine HMDB00696 InChIKey=FFEARJCKVFRZRR-BYPYZUCNSA-N 148.0438 25.8 1 M-H Xanthine HMDB00292 InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N 151.0261 23.3 1 M-H Histidine HMDB00177 InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N 154.0622 27.9 1 M-H Pelargonic acid HMDB00847 InChIKey=FBUKVWPVBMHYJY-UHFFFAOYSA-N 157.1234 89.7 1 M-H Aminoadipic acid HMDB00510 InChIKey=OYIFNHCXNCRBQI-UHFFFAOYSA-N 160.0615 20.8 1 M-H Phenylalanine HMDB00159 InChIKey=COLNVLDHVKWLRT-QMMMGPOBSA-N 164.0716 27 1 M-H 3-(2-Hydroxyphenyl)propanoic acid HMDB33752 InChIKey=CJBDUOMQLFKVQC-UHFFFAOYSA-N 165.0556 21.8 1 M-H Uric acid HMDB00289 InChIKey=LEHOTFFKMJEONL-UHFFFAOYSA-N 167.0207 21.5 1 M-H trans-Aconitic acid HMDB00958 InChIKey=GTZCVFVGUGFEME-HNQUOIGGSA-N 173.0091 19.1 1 M-H N-Acetylasparagine HMDB06028 InChIKey=HXFOXFJUNFFYMO-BYPYZUCNSA-N 173.0566 19.4 1 M-H N-Acetyl-L-aspartic acid HMDB00812 InChIKey=OTCCIMWXFLJLIA-BYPYZUCNSA-N 174.0407 17.9 1 M-H Indoleacetic acid HMDB00197 InChIKey=SEOVTRFCIGRIMH-UHFFFAOYSA-N 174.056 26.5 1 M-H Citrulline HMDB00904 InChIKey=RHGKLRLOHDJJDR-BYPYZUCNSA-N 174.0883 20.9 1 M-H Gulonolactone HMDB03466 InChIKey=SXZYCXMUPBBULW-SKNVOMKLSA-N 177.0404 20.9 1 M-H Hippuric acid HMDB00714 InChIKey=QIAFMBKCNZACKA-UHFFFAOYSA-N 178.051 21.2 1 M-H Tyrosine HMDB00158 InChIKey=OUYCCCASQSFEME-QMMMGPOBSA-N 180.0666 26.2 1 M-H N-Acetylglutamic acid HMDB01138 InChIKey=RFMMMVDNIPUKGG-UHFFFAOYSA-N 188.0565 19.4 1 M-H Quinic acid HMDB03072 InChIKey=AAWZDTNXLSGCEK-RKGSPJAZSA-N 191.0561 15.8 1 M-H Gluconic acid HMDB00625 InChIKey=RGHNJXZEOKUKBD-SQOUGZDYSA-N 195.051 20.3 1 M-H Dodecanoic acid HMDB00638 InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-N 199.1704 182.5 1 M-H Pantothenic acid HMDB00210 InChIKey=GHOKWGTUZJEAQD-UHFFFAOYSA-N 218.1033 19.4 1 M-H 5-Hydroxy-L-tryptophan HMDB00472 InChIKey=LDCYZAJDBXYCGN-UHFFFAOYSA-N 219.0775 25.7 1 M-H Myristic acid HMDB00806 InChIKey=TUNFSRHWOTWDNC-UHFFFAOYSA-N 227.2016 212.1 1 M-H Cystine HMDB00192 InChIKey=LEVWYRKDKASIDU-IMJSIDKUSA-N 239.0158 23.4 1 M-H Uridine HMDB00296 InChIKey=DRTQHJPVMGBUCF-XVFCMESISA-N 243.0621 24.6 1 M-H Palmitoleic acid HMDB03229 InChIKey=SECPZKHBENQXJG-FPLPWBNLSA-N 253.2173 216.9 1 M-H Gamma-Linolenic acid HMDB03073 InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-N 277.2171 210 1 M-H N-Acetylneuraminic acid HMDB00230 InChIKey=SQVRNKJHWKZAKO-PFQGKNLYSA-N 308.0984 20 1 M-H Arachidic acid HMDB02212 InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-N 311.2955 280.6 1 M-H Docosahexaenoic acid HMDB02183 InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-N 327.2329 213.5 1 M-H Glycocholic acid HMDB00138 InChIKey=RFDAIACWWDREDC-MZMBZMQMSA-N 464.3016 27.8 1 M-H