#METABOLOMICS WORKBENCH droughtexperiment_20251113_064148 DATATRACK_ID:6679 STUDY_ID:ST004388 ANALYSIS_ID:AN007331 PROJECT_ID:PR002781 VERSION 1 CREATED_ON November 26, 2025, 9:28 am #PROJECT PR:PROJECT_TITLE Desert plant metabolomics PR:PROJECT_TYPE Untargeted metabolomics PR:PROJECT_SUMMARY This project aims to identify the primary metabolites involved in desert plant PR:PROJECT_SUMMARY adaptations to desert harshness PR:INSTITUTE Sultan Moulay Slimane University PR:DEPARTMENT Biology & Geology department PR:LABORATORY Polyvalent team in Research & development PR:LAST_NAME Ezzine PR:FIRST_NAME Hasna PR:ADDRESS Bzou, Azilal, Morocco PR:EMAIL hasnaezzine1@gmail.com PR:PHONE +212648297165 #STUDY ST:STUDY_TITLE Untargeted metabolomics to unravel the adaptations of the desert shrub Haloxylon ST:STUDY_TITLE salicornicum ST:STUDY_SUMMARY This study investigated the metabolic adjustments of the desert shrub Haloxylon ST:STUDY_SUMMARY salicornicum during drought and subsequent recovery after rewatering. An ST:STUDY_SUMMARY untargeted metabolomics approach using Orbitrap GC–MS was employed to profile ST:STUDY_SUMMARY the primary metabolites accumulated in shoots and roots in response to 15 days ST:STUDY_SUMMARY of water withholding followed by 15 days of rewatering. Six-month-old H. ST:STUDY_SUMMARY salicornicum seedlings grown in pots were divided into two groups: control ST:STUDY_SUMMARY plants irrigated every other day and drought-stressed plants subjected to water ST:STUDY_SUMMARY withholding for 15 days. Shoots and roots were sampled from four seedlings in ST:STUDY_SUMMARY each group, while the remaining seedlings from both control and drought-stressed ST:STUDY_SUMMARY treatments were rewatered for an additional 15 days for recovery assessment. ST:STUDY_SUMMARY Comparisons of the metabolic profiles were made between control and ST:STUDY_SUMMARY drought-stressed seedlings after 15 days of treatment, and between rewatered and ST:STUDY_SUMMARY control seedlings after 15 days of recovery. Drought exposure induced the ST:STUDY_SUMMARY accumulation of 25 metabolites in shoots and 24 in roots, among which eight ST:STUDY_SUMMARY compounds, γ-aminobutyrate, glutathione, cystine, valine, leucine, ribitol, ST:STUDY_SUMMARY succinate, and N-acetylputrescine were consistently upregulated in both organs. ST:STUDY_SUMMARY These shared metabolites collectively represent an integrated drought-response ST:STUDY_SUMMARY strategy involving stress signal transduction, antioxidant defense, and osmotic ST:STUDY_SUMMARY adjustment to sustain cellular homeostasis under drought. Shoots specifically ST:STUDY_SUMMARY accumulated metabolites such as oleic acid and galacturonate, which are ST:STUDY_SUMMARY implicated in cuticle biosynthesis and cell wall remodeling, as well as amino ST:STUDY_SUMMARY acids and tricarboxylic acids supporting energy supply and C-N balance under ST:STUDY_SUMMARY drought. In contrast, roots exhibited elevated levels of sugar alcohols ST:STUDY_SUMMARY contributing to osmotic adjustment, along with increased accumulation of ST:STUDY_SUMMARY UDP-glucuronate, which reinforces cell wall rigidity. Following rehydration, ST:STUDY_SUMMARY seedlings did not fully return to the pre-stress metabolic state but displayed ST:STUDY_SUMMARY partial recovery characterized by renewed carbohydrate metabolism and sustained ST:STUDY_SUMMARY levels of stress-related metabolites. ST:INSTITUTE Sultan Moulay Slimane University ST:LAST_NAME Ezzine ST:FIRST_NAME Hasna ST:ADDRESS Bzou, Azilal, Morocco ST:EMAIL hasnaezzine1@gmail.com ST:PHONE +212648297165 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Haloxylon salicornicum SU:TAXONOMY_ID 454511 #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 - CS1 Sample source:Shoot | Treatment:Control 15D RAW_FILE_NAME(Raw_file_name )=CS1 SUBJECT_SAMPLE_FACTORS - CS2 Sample source:Shoot | Treatment:Control 15D RAW_FILE_NAME(Raw_file_name )=CS2 SUBJECT_SAMPLE_FACTORS - CS3 Sample source:Shoot | Treatment:Control 15D RAW_FILE_NAME(Raw_file_name )=CS3 SUBJECT_SAMPLE_FACTORS - CS4 Sample source:Shoot | Treatment:Control 15D RAW_FILE_NAME(Raw_file_name )=CS4 SUBJECT_SAMPLE_FACTORS - CR1 Sample source:Root | Treatment:Control 15D RAW_FILE_NAME(Raw_file_name )=CR1 SUBJECT_SAMPLE_FACTORS - CR2 Sample source:Root | Treatment:Control 15D RAW_FILE_NAME(Raw_file_name )=CR2 SUBJECT_SAMPLE_FACTORS - CR3 Sample source:Root | Treatment:Control 15D RAW_FILE_NAME(Raw_file_name )=CR3 SUBJECT_SAMPLE_FACTORS - CR4 Sample source:Root | Treatment:Control 15D RAW_FILE_NAME(Raw_file_name )=CR4 SUBJECT_SAMPLE_FACTORS - DS1 Sample source:Shoot | Treatment:Drought RAW_FILE_NAME(Raw_file_name )=DS1 SUBJECT_SAMPLE_FACTORS - DS2 Sample source:Shoot | Treatment:Drought RAW_FILE_NAME(Raw_file_name )=DS2 SUBJECT_SAMPLE_FACTORS - DS3 Sample source:Shoot | Treatment:Drought RAW_FILE_NAME(Raw_file_name )=DS3 SUBJECT_SAMPLE_FACTORS - DS4 Sample source:Shoot | Treatment:Drought RAW_FILE_NAME(Raw_file_name )=DS4 SUBJECT_SAMPLE_FACTORS - DR1 Sample source:Root | Treatment:Drought RAW_FILE_NAME(Raw_file_name )=DR1 SUBJECT_SAMPLE_FACTORS - DR2 Sample source:Root | Treatment:Drought RAW_FILE_NAME(Raw_file_name )=DR2 SUBJECT_SAMPLE_FACTORS - DR3 Sample source:Root | Treatment:Drought RAW_FILE_NAME(Raw_file_name )=DR3 SUBJECT_SAMPLE_FACTORS - DR4 Sample source:Root | Treatment:Drought RAW_FILE_NAME(Raw_file_name )=DR4 SUBJECT_SAMPLE_FACTORS - CMS1 Sample source:Shoot | Treatment:Control 1M RAW_FILE_NAME(Raw_file_name )=CMS1 SUBJECT_SAMPLE_FACTORS - CMS2 Sample source:Shoot | Treatment:Control 1M RAW_FILE_NAME(Raw_file_name )=CMS2 SUBJECT_SAMPLE_FACTORS - CMS3 Sample source:Shoot | Treatment:Control 1M RAW_FILE_NAME(Raw_file_name )=CMS3 SUBJECT_SAMPLE_FACTORS - CMS4 Sample source:Shoot | Treatment:Control 1M RAW_FILE_NAME(Raw_file_name )=CMS4 SUBJECT_SAMPLE_FACTORS - CMR1 Sample source:Root | Treatment:Control 1M RAW_FILE_NAME(Raw_file_name )=CMR1 SUBJECT_SAMPLE_FACTORS - CMR2 Sample source:Root | Treatment:Control 1M RAW_FILE_NAME(Raw_file_name )=CMR2 SUBJECT_SAMPLE_FACTORS - CMR3 Sample source:Root | Treatment:Control 1M RAW_FILE_NAME(Raw_file_name )=CMR3 SUBJECT_SAMPLE_FACTORS - CMR4 Sample source:Root | Treatment:Control 1M RAW_FILE_NAME(Raw_file_name )=CMR4 SUBJECT_SAMPLE_FACTORS - RS1 Sample source:Shoot | Treatment:Recovery RAW_FILE_NAME(Raw_file_name )=RS1 SUBJECT_SAMPLE_FACTORS - RS2 Sample source:Shoot | Treatment:Recovery RAW_FILE_NAME(Raw_file_name )=RS2 SUBJECT_SAMPLE_FACTORS - RS3 Sample source:Shoot | Treatment:Recovery RAW_FILE_NAME(Raw_file_name )=RS3 SUBJECT_SAMPLE_FACTORS - RS4 Sample source:Shoot | Treatment:Recovery RAW_FILE_NAME(Raw_file_name )=RS4 SUBJECT_SAMPLE_FACTORS - RR1 Sample source:Root | Treatment:Recovery RAW_FILE_NAME(Raw_file_name )=RR1 SUBJECT_SAMPLE_FACTORS - RR2 Sample source:Root | Treatment:Recovery RAW_FILE_NAME(Raw_file_name )=RR2 SUBJECT_SAMPLE_FACTORS - RR3 Sample source:Root | Treatment:Recovery RAW_FILE_NAME(Raw_file_name )=RR3 SUBJECT_SAMPLE_FACTORS - RR4 Sample source:Root | Treatment:Recovery RAW_FILE_NAME(Raw_file_name )=RR4 #COLLECTION CO:COLLECTION_SUMMARY Shoot and root tissues were immediately frozen in liquid nitrogen during CO:COLLECTION_SUMMARY sampling befoe being freeze-dried and powdered CO:SAMPLE_TYPE plant tissue #TREATMENT TR:TREATMENT_SUMMARY Haloxylon salicornicum seedlings were grown in pots containing 75% of sand and TR:TREATMENT_SUMMARY 25% of peat moss. The seedlings were divided into two groups: control plants TR:TREATMENT_SUMMARY irrigated every other day and drought-stressed plants subjected to water TR:TREATMENT_SUMMARY withholding for 15 days. Shoots and roots were sampled from four seedlings in TR:TREATMENT_SUMMARY each group, while the remaining seedlings from both control and drought-stressed TR:TREATMENT_SUMMARY treatments were rewatered for an additional 15 days for recovery assessment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 30 mg of the powdered tissue was transferred to 2 mL Eppendorf SP:SAMPLEPREP_SUMMARY tubes containing a few 0.5 mm glass beads, and 1 mL of M1 (methyl-tert-bethyl SP:SAMPLEPREP_SUMMARY ether/ methanol; 3:1) was added. The mixture was then homogenized in the Bead SP:SAMPLEPREP_SUMMARY Blaster 24R (Benchmark Scientific) by subjecting it to 3 cycles of shaking at SP:SAMPLEPREP_SUMMARY 4 °C for 1.5 minutes, followed by an immediate sonication at 0 °C for 20 SP:SAMPLEPREP_SUMMARY min. A 650 µL of the phase separation solution M2 (water/methanol; 3:1) was SP:SAMPLEPREP_SUMMARY added, and the homogenate was immediately vortexed for 1 min and then SP:SAMPLEPREP_SUMMARY centrifuged at 20,000 rpm for 2 min. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Thermo Scientific Exploris GC 240 CH:COLUMN_NAME Thermo Scientific Trace GOLD TG-5SilMS (30 m × 0.25 mm, 0.25 um) CH:SOLVENT_A - CH:SOLVENT_B - CH:FLOW_GRADIENT - CH:FLOW_RATE 1.2 mL/min CH:COLUMN_TEMPERATURE 250 °C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS The mass spectrometer was operated in positive electron ion mode within a MS:MS_COMMENTS mass-to-charge (m/z) scan range of 35-700, at a temperature of 300 °C, with an MS:MS_COMMENTS orbitrap resolution of 60,000 (FWHM, measured at m/z 200) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak intensity MS_METABOLITE_DATA_START Samples CS1 CS2 CS3 CS4 DS1 DS2 DS3 DS4 CR1 CR2 CR3 CR4 DR1 DR2 DR3 DR4 CMS1 CMS2 CMS3 CMS4 RS1 RS2 RS3 RS4 CMR1 CMR2 CMR3 CMR4 RR1 RR2 RR3 RR4 Factors Sample source:Shoot | Treatment:Control 15D Sample source:Shoot | Treatment:Control 15D Sample source:Shoot | Treatment:Control 15D Sample source:Shoot | Treatment:Control 15D Sample source:Shoot | Treatment:Drought Sample source:Shoot | Treatment:Drought Sample source:Shoot | Treatment:Drought Sample source:Shoot | Treatment:Drought Sample source:Root | Treatment:Control 15D Sample source:Root | Treatment:Control 15D Sample source:Root | Treatment:Control 15D Sample source:Root | Treatment:Control 15D Sample source:Root | Treatment:Drought Sample source:Root | Treatment:Drought Sample source:Root | Treatment:Drought Sample source:Root | Treatment:Drought Sample source:Shoot | Treatment:Control 1M Sample source:Shoot | Treatment:Control 1M Sample source:Shoot | Treatment:Control 1M Sample source:Shoot | Treatment:Control 1M Sample source:Shoot | Treatment:Recovery Sample source:Shoot | Treatment:Recovery Sample source:Shoot | Treatment:Recovery Sample source:Shoot | Treatment:Recovery Sample source:Root | Treatment:Control 1M Sample source:Root | Treatment:Control 1M Sample source:Root | Treatment:Control 1M Sample source:Root | Treatment:Control 1M Sample source:Root | Treatment:Recovery Sample source:Root | Treatment:Recovery Sample source:Root | Treatment:Recovery Sample source:Root | Treatment:Recovery 2-Oxoglutaric acid 136000000 329000000 203000000 182000000 237000000 363000000 317000000 1150000000 40200000 115000000 94400000 190000000 84300000 24800000 113000000 170000000 174000000 147000000 210000000 208000000 522000000 587000000 229000000 417000000 44700000 88200000 80800000 22500000 5423596 9754082 143000000 1576170 5-ALA 448000000 310000000 373000000 886000000 104000000 82100000 222000000 1150000000 68400000 12500000 53100000 33700000 1600740 570530.1 4561228 13100000 410000000 323000000 1030000000 640000000 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12700000 145000000 1032849 1096591 18500000 24400000 N-acetylornithine 443889.9 3599269 1548628 5767514 10100000 2029334 882126.3 6061691 7652784 1894598 14700000 3944291 398680.3 380728.3 609051.9 882619.9 1918033 2679232 22100000 33900000 4343718 4176239 1803731 2524988 6134086 2241166 5197436 2518010 121599.5 116331.7 461908.6 283282.2 N-Acetylputrescine 82000000 138000000 115000000 85400000 825000000 558000000 717000000 815000000 69900000 83800000 209000000 127000000 1000000000 664000000 708000000 831000000 41500000 55600000 120000000 54900000 706000000 629000000 626000000 832000000 43400000 61000000 16800000 282000000 248000000 53700000 317000000 2369736 O-Acetyl-L-serine 5549830 839568.4 947613.8 4330490 8220067 9941325 10400000 9880818 2057479 5558819 4278346 8668842 6493515 3348382 3974145 5631437 2999967 5486871 4452589 3194461 71500000 29600000 23400000 29600000 2833974 4648552 6157724 3147698 481870.8 586884.3 2233808 356211.9 oleic acid 54507.19 1088747 248929.7 116309.4 1245589 56600000 5282490 28000000 41078.38 59400000 60200000 0 289627.4 78600000 102629.7 61400000 3995357 6531575 4383668 133321.6 298367.1 343757.6 63408.13 133099.8 58800000 0 3457665 1627783 31837.63 214885.5 59700000 103881.3 Ornithine 140000000 196000000 77200000 682000000 57000000 68900000 81400000 105000000 57700000 103000000 113000000 109000000 117000000 50600000 106000000 103000000 52000000 155000000 197000000 633000000 1310000000 107000000 1340000000 67500000 52200000 97100000 104000000 104000000 133000000 146000000 665000000 347000000 pantothenic acid 50100000 112000000 35900000 33100000 46200000 99300000 92200000 210000000 23800000 3656590 35100000 6288950 26600000 3457490 31000000 39400000 56000000 250000000 265000000 32300000 58500000 48200000 28200000 37700000 9300173 24600000 25400000 5617175 2817607 2224721 2741941 3743716 Phenylpyruvic acid 33600000 1090000000 1470000000 52400000 53600000 10800000 961000000 2418002 19700000 32800000 309000000 497000000 335000000 29500000 348000000 459000000 1100000000 883000000 1010000000 913000000 1020000000 777000000 607000000 771000000 212000000 274000000 22200000 178000000 2796088 5420131 282559.4 573627.1 Putrescine 1784579 4564908 5019153 6993982 11000000 3866949 2634504 3834699 1617117 1692175 1486206 1384873 4312831 3805410 4742277 1768771 3762746 4546193 4730296 7782865 4962693 1065901 573476.4 2892473 1466448 1412277 1160217 506053.9 3375892 803039.6 1081078 109832.1 Pyroglutamate 1766105 816000000 802000000 428000000 1270000000 1200000000 1510000000 5109006 514028.4 391000000 584000000 697000000 1380000000 1620000000 1430000000 1400000000 48900000 522000000 814000000 1667581 1920000000 1780000000 1700000000 1860000000 1156384 468000000 722000000 11400000 196000000 101000000 725000000 5586566 Rhamnose 1730000000 1340000000 1060000000 1610000000 634000000 285000000 987000000 948000000 56800000 17700000 325000000 159000000 103000000 255000000 970202.6 183000000 924000000 637000000 1200000000 1650000000 1040000000 975000000 435000000 522000000 2467444 76900000 2025244 90400000 12500000 6912733 22900000 16700000 Ribitol 98700000 1280000000 115000000 102000000 1590000000 1690000000 1500000000 1880000000 68500000 72800000 294000000 1030000000 1800000000 664000000 830000000 1780000000 871000000 56400000 1230000000 64100000 2010000000 1460000000 2060000000 1740000000 376000000 352000000 1930000000 689000000 88600000 53700000 39900000 2369736 Ribose 544000000 117000000 91200000 65600000 54800000 44200000 223000000 129000000 3133832 142000000 68300000 75400000 37400000 15400000 27400000 33100000 1120000000 140000000 82400000 86900000 242000000 282000000 90200000 42600000 92700000 47000000 67600000 58200000 6023035 8460585 62600000 3440274 Ribose 5-P 23300000 44700000 51500000 309000000 23700000 10700000 27500000 158000000 6496637 8133641 5464809 13900000 24700000 3443558 40900000 43100000 17900000 27100000 369000000 316000000 17500000 12500000 11100000 10800000 2892391 9214172 10700000 17000000 127197.4 220512.1 41700000 145134.2 SAM 6108364 9428906 22400000 10800000 4963398 8897156 7229216 2814184 247813.8 398104 2672935 5300649 6384775 967793.4 39726.56 1014256 8746252 10200000 14500000 120000000 74600000 9543105 3799752 5853262 1225486 1659626 3664406 2768359 50749.06 145088.5 205095.2 128922.6 Serotonin 21800000 180000000 57600000 53000000 117000000 42800000 265000000 33300000 6382882 1620276 7040476 18600000 4168875 925961.7 5901080 77600000 65100000 97200000 61500000 37900000 67000000 37100000 25100000 17600000 12800000 27800000 15100000 22700000 1925582 1957790 8698331 24000000 Shikimic acid 220000000 345000000 111000000 333000000 67000000 382000000 339000000 213000000 14200000 26300000 264000000 44800000 87500000 31800000 38200000 107000000 79800000 128000000 383000000 390000000 170000000 372000000 77100000 55100000 3639019 13000000 9538720 85300000 20700000 463822.3 116000000 360061.9 Sinigrin 13600000 13000000 34100000 5381944 7200794 10500000 25700000 12600000 4700587 5079990 10800000 8425189 4229502 3049479 3826399 2886496 25300000 18200000 13600000 11900000 31600000 29900000 20500000 16600000 3422813 2955565 7905073 9808475 1059220 6747028 27500000 123093 Spermidine 38100000 233000000 99800000 26900000 94800000 87900000 94700000 72500000 95100000 396000000 256000000 177000000 97300000 48400000 120000000 77900000 100000000 296000000 162000000 50100000 9084536 175000000 1427660 45000000 2640000000 250000000 229000000 179000000 1254041 794666.7 553842.9 653120.1 Stearic acid 182000000 188000000 99400000 195000000 136000000 182000000 182000000 159000000 202000000 175000000 176000000 168000000 177000000 204000000 172000000 176000000 91900000 188000000 185000000 98500000 167000000 149000000 18400000 126000000 203000000 175000000 172000000 172000000 9693060 4113907 240000000 308000000 Succinic acid 375256 51700000 42400000 669219.9 639994.4 164000000 43900000 54400000 10500000 13200000 18600000 19300000 15200000 9940776 69200000 69500000 20000000 21100000 31700000 33200000 135000000 111000000 58000000 86900000 771625.3 10400000 10900000 6902526 9065469 2430746 441816.5 298620.9 Sucrose 213977.3 93600000 54500000 40400000 48600000 24700000 3050283 41500000 75383.13 776086.3 51000000 40800000 9327685 7962271 12700000 24600000 24900000 77300000 60700000 221373.5 12100000 15900000 6764643 8427658 10700000 21000000 55000000 279730.1 281454.4 208363.6 531697.9 11114.5 Trehalose 8672426 11500000 5671271 9553933 13000000 31800000 82500000 24400000 18800000 40500000 23000000 8706334 18200000 11900000 28800000 28300000 18400000 10100000 9795913 13800000 33600000 32700000 23400000 23100000 22800000 17700000 31900000 35100000 827609.6 1003158 17100000 1583808 Tryptamine 404000000 227000000 37500000 690000000 400202.9 728998.3 1172479 337000000 44016 91057.88 151018 175988.8 191529.3 64472.63 189471.2 591133.4 349261.9 1210000000 1870000000 2540000000 8809415 740761.8 1569146 2325550 154305.8 122943.3 85933.69 133979.8 87323.56 79388.25 124384.3 22152.94 Tryptophan 179000000 2216774 111000000 37000000 208000000 189000000 7588916 312000000 38800000 1833489 8373634 42500000 9096735 8371511 9929038 18100000 90700000 0 60900000 155000000 242000000 162000000 92700000 69500000 9270501 54300000 33000000 318998.6 3522427 2399938 83900000 9908608 Tyramine 23800000 60000000 194000000 28500000 110000000 79500000 302000000 247000000 36400000 71200000 236000000 231000000 96600000 13600000 60900000 97900000 57700000 130000000 56600000 52800000 85100000 65200000 15500000 58000000 70200000 193000000 162000000 15900000 29900000 10700000 120000000 14300000 Tyrosine 61200000 58600000 67200000 63100000 73400000 68700000 71300000 75200000 63500000 93500000 106000000 108000000 96700000 53600000 86400000 86600000 54200000 704000000 18100000 501000000 63500000 63300000 38200000 60900000 57100000 95400000 97800000 97700000 74800000 81300000 517000000 313000000 UDP-glucuronic acid 21600000 27400000 20900000 5566866 24900000 28100000 3198139 87100000 2985732 20400000 24400000 1611876 122000000 3302247 1298467 98400000 17600000 31100000 55300000 46800000 258000000 189000000 300000000 352000000 2062429 2231333 4016030 5024485 676609.4 5803504 127000000 452775.9 Uridine 237000000 151000000 279000000 210000000 415000000 354000000 325000000 434000000 15100000 41800000 58200000 68800000 66200000 26700000 41100000 77600000 294000000 258000000 319000000 169000000 514000000 444000000 294000000 295000000 47100000 48300000 55200000 26400000 2526655 2313174 72500000 1130348 Urocanic acid 42700000 52800000 104000000 38200000 98100000 141000000 39300000 177000000 9010739 4431656 8289682 47000000 11300000 1241874 8412466 11700000 47800000 54300000 76200000 17300000 57800000 133000000 60200000 79400000 20600000 4008123 24900000 12800000 1379718 1511302 11200000 1928071 Valine 1044036 100857.5 121000000 85700000 307000000 645000000 2351149 407000000 150936.5 158398.3 181000000 544113.9 1040000000 1305261 773000000 7664716 66015.75 50600000 105000000 89900000 560000000 751000000 1114316 649000000 84400000 80850.56 99000000 48300000 93863.56 45911.75 158000000 3804848 Xylitol 310000000 393000000 230000000 87300000 706000000 947000000 904000000 770000000 207000000 587000000 335000000 452000000 716000000 638000000 633000000 724000000 191000000 115000000 460000000 259000000 57600000 940000000 963000000 608000000 98800000 111000000 771000000 158000000 16000000 23700000 792000000 2388200 Xylulose 15800000 27000000 46500000 35300000 77800000 152000000 265000000 171000000 21000000 8150461 64000000 33500000 86700000 23000000 27200000 52400000 64300000 39400000 82400000 8867070 242000000 282000000 172000000 67200000 33900000 17900000 39300000 50700000 6023035 2872884 31600000 2991724 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG_ID PubChem_ID 2-Oxoglutaric acid C00026 51 5-ALA C00430 137 Adenosine C00212 60961 Allose C01487 439507 Arabinose C00259 439195 Arginine C00062 6322 Ascorbic acid C00072 54670067 Asparagine C00152 6267 Aspartic acid C00049 5960 beta-Alanine C00099 239 Cadaverine C01672 273 capric acid C01571 2969 cis-Aconitate C00417 643757 Coumaric acid C05838 5280841 Cystathionine C02291 439258 Cysteamine C01678 6058 Cysteinylglycine C01419 439498 Cystine C01420 595 Ethanolamine C00189 700 Fructose C00095 439709 Fructose 6-P C00085 69507 Fumaric acid C00122 444972 GABA C00334 119 Galactitol C01697 11850 Galactose C00124 439357 Galacturonic acid C00333 84740 Glucose C00031 5793 Glucose 6-P C00092 5958 glucose-1-P C00103 65533 Glutamic acid C00025 33032 Glutamine C00064 5961 Glutathione C00051 124886 Glycerol C00116 753 Glycine C00037 750 Guanosine C00387 6802 Histamine C00388 774 Homocystine C01817 10010 Hypotaurine C00519 107812 Indole-3-acetaldehyde C00637 800 Indoleacetic acid C00954 802 Inosine C00294 6021 isocitric acid C00311 1198 Isoleucine C00407 6306 Isopentenyladenosine C16427 47205724 Leucine C00123 6106 L-Histidinol C00860 165271 Malic acid C00149 222656 Maltose C00208 10991489 Mannose C00159 185698 Melibiose C05402 6602503 Myo-Inositol C00137 N-acetylornithine C00437 439232 N-Acetylputrescine C02714 122356 O-Acetyl-L-serine C00979 99478 oleic acid C00712 445639 Ornithine C00077 6262 pantothenic acid C00864 6613 Phenylpyruvic acid C00166 997 Putrescine C00134 1045 Pyroglutamate C01879 7405 Rhamnose C00507 25310 Ribitol C00474 Ribose C00121 5779 Ribose 5-P C00117 440101 SAM C00019 34756 Serotonin C00780 5202 Shikimic acid C00493 8742 Sinigrin C08427 6911854 Spermidine C00315 1102 Stearic acid C01530 5281 Succinic acid C00042 1110 Sucrose C00089 5988 Trehalose C01083 7427 Tryptamine C00398 1150 Tryptophan C00078 6305 Tyramine C00483 5610 Tyrosine C00082 6057 UDP-glucuronic acid C00167 17473 Uridine C00299 6029 Urocanic acid C00785 736715 Valine C00183 6287 Xylitol C00379 6912 Xylulose C00312 89810215 METABOLITES_END #END