#METABOLOMICS WORKBENCH chalermrojCS_20231106_090109 DATATRACK_ID:4442 STUDY_ID:ST002971 ANALYSIS_ID:AN004880 PROJECT_ID:PR001849 VERSION 1 CREATED_ON November 6, 2023, 9:16 am #PROJECT PR:PROJECT_TITLE Bioluminescent light generation PR:PROJECT_SUMMARY Part 2/3 of XR/lactose system demonstrated in E. coli PR:INSTITUTE Vidyasirimedhi Institute of Science and Technology PR:LAST_NAME Sutthaphirom PR:FIRST_NAME Chalermroj PR:ADDRESS 555, Moo 1, Payubnai, Wangchan, Rayong, 21210, Thailand PR:EMAIL chalermroj.s_s19@vistec.ac.th PR:PHONE (+66)063-9639915 #STUDY ST:STUDY_TITLE luminescent T24h ST:STUDY_SUMMARY Untargeted metabolomics of bioluminescent light generating strains at time 24 h ST:INSTITUTE Vidyasirimedhi Institute of Science and Technology ST:LAST_NAME Sutthaphirom ST:FIRST_NAME Chalermroj ST:ADDRESS 555, Moo 1, Payubnai, Wangchan, Rayong, 21210, Thailand ST:EMAIL chalermroj.s_s19@vistec.ac.th ST:PHONE (+66)063-9639915 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 10 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Escherichia coli SU:TAXONOMY_ID 562 SU:GENOTYPE_STRAIN BL21 (DE3) SU:CELL_BIOSOURCE_OR_SUPPLIER Novagen #FACTORS #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 - T24-cde-1.d.DeMP Strain:lux SUBJECT_SAMPLE_FACTORS - T24-cde-2.d.DeMP Strain:lux SUBJECT_SAMPLE_FACTORS - T24-cde-3.d.DeMP Strain:lux SUBJECT_SAMPLE_FACTORS - T24-cde-5.d.DeMP Strain:lux SUBJECT_SAMPLE_FACTORS - T24-cde-6.d.DeMP Strain:lux SUBJECT_SAMPLE_FACTORS - T24-cde-XR-2.d.DeMP Strain:XR SUBJECT_SAMPLE_FACTORS - T24-cde-XR-3.d.DeMP Strain:XR SUBJECT_SAMPLE_FACTORS - T24-cde-XR-4.d.DeMP Strain:XR SUBJECT_SAMPLE_FACTORS - T24-cde-XR-5.d.DeMP Strain:XR SUBJECT_SAMPLE_FACTORS - T24-cde-XR-6.d.DeMP Strain:XR #COLLECTION CO:COLLECTION_SUMMARY Samples were quenched by cold methanol and were extracted metabolites by cold CO:COLLECTION_SUMMARY methanol method. CO:SAMPLE_TYPE Bacterial cells #TREATMENT TR:TREATMENT_SUMMARY Cells were incubated with 10 mM lactose in LB at 25˚C for 24 h #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Intracellular metabolites were extracted by cold methanol method. The SP:SAMPLEPREP_SUMMARY supernatants were lyophilized and reconstituted in 50% acetonitrile/water. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 6560 CH:COLUMN_NAME Agilent Poroshell 120 HILIC-Z (150 x 2.1 mm, 2.7 µm) CH:SOLVENT_A 10 mM ammonium acetate pH 9.0 CH:SOLVENT_B 10 mM ammonium acetate in 85% acetonitrile/water pH 9.0 CH:FLOW_GRADIENT 0 min: 96%B, 24 min: 65%B CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 35˚C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6560 Ion Mobility MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Raw MS data files (.d) were first demultiplexed using the Agilent MS:MS_COMMENTS De-multiplexing tool (Version 1.0, Agilent Technologies). The demultiplexing MS:MS_COMMENTS data files (.DeMP.d) were recalibrated using IM–MS Reprocessor (Version MS:MS_COMMENTS B.08.00, Agilent Technologies). The reference masses used for mass calibration MS:MS_COMMENTS were m/z 112.985587 and 1033.988109. The CCS calibration was performed by the MS:MS_COMMENTS IM–MS Browser software (Version 10.0, Agilent Technologies). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS abundance MS_METABOLITE_DATA_START Samples T24-cde-1.d.DeMP T24-cde-2.d.DeMP T24-cde-3.d.DeMP T24-cde-5.d.DeMP T24-cde-6.d.DeMP T24-cde-XR-2.d.DeMP T24-cde-XR-3.d.DeMP T24-cde-XR-4.d.DeMP T24-cde-XR-5.d.DeMP T24-cde-XR-6.d.DeMP Factors Strain:lux Strain:lux Strain:lux Strain:lux Strain:lux Strain:XR Strain:XR Strain:XR Strain:XR Strain:XR N-palmitoyl taurine 36485992 42944036 28880636 32381336 35224048 30219908 22008378 21070108 25352444 26110894 Maltotriitol 1 183156 202775 175850 174678 15476474 16411339 15879814 14381132 14008891 beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc 1920635 1716219 2171866 1847343 1938064 10039253 11462608 11098555 10243194 10303218 D-Sorbitol 1 1 1 1 1 8426280 8570891 8264545 8881989 8471347 Inosine 8027103 8080949 8922443 8057036 8631416 6550441 6535095 6601595 5727282 5726176 Cyclic adenosine diphosphate ribose 3617468 3343489 3947269 3508165 3323606 5546195 6290347 6135381 5918942 5742988 L-Lysine 3581541 3181687 3990000 2825985 2800131 5857272 6398105 5687848 4972758 4446015 UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6- diaminopimelate 6019475 5419604 7204017 6191594 5693179 704262 858637 821104 766006 665281 5-Amino-6-ribitylamino uracil 4304120 4383955 4510047 3881299 4111475 3492757 4217720 3290756 2887445 2792774 2-Keto-3-deoxy-D-gluconic acid 1969111 1916577 2270943 1970072 2028962 3251791 3504051 3424651 3174218 3117625 Xanthine 1897989 1835331 2058546 1979564 2074466 2759919 2790685 2729961 2781850 2691576 L-Histidine 3028962 2962911 3234900 2941161 3378379 1775632 2008097 1720412 2092593 2001680 L-Fuculose 1-phosphate 1 1 1035996 1 1 2062111 2785330 2534106 2254083 1966883 UMP / Uridine 5-monophosphate 767300 631539 943613 663606 680134 1999990 2901669 2596668 2085057 1826940 N-stearoyl taurine 2960266 3345663 2033747 2315557 2486422 2001853 1426370 1473587 1839813 1540134 PS(18:0/0:0) 2715612 2406186 2694358 3034877 2005763 789730 1057990 733077 1036005 707907 Farnesyl pyrophosphate 898541 813468 1098151 820355 816595 1635208 2217933 2216084 1553956 1467541 NAD 910568 815223 1036313 950955 878971 1656296 1893008 1580788 1733680 1455727 dTDP-6-deoxy-D-allose 748269 706876 941710 755761 765740 1414156 1666012 1627465 1500976 1436199 LysoPE(0:0/18:1(9Z)) 1259348 2100646 1033346 1375243 1467344 907313 633452 599888 770270 800688 Dihydroxyacetone (glycerone) 1 1 1 1 1 1438323 1477705 1 1326248 1412103 cAMP / Adenosine 3-5-cyclic monophosphate 730102 695951 831283 748565 800639 1086716 1165590 1164130 1103041 1056804 UDP-N-acetylmuraminate 1233778 1205875 1675849 1268108 1316965 701540 907029 908480 753417 683168 N-Succinyl-2-amino-6-oxopimelate 1784711 1048234 1858630 1246810 910060 1855104 631400 1 1956389 828915 D-Glucose 6-phosphate 1309645 1176379 1511923 1291515 1146034 633529 742475 727366 657781 1 1,5-Anhydrosorbitol 1 1 1 1 1 1023264 1072431 989000 1071539 1035719 Poly-g-D-glutamate 636745 560326 845186 570189 561744 789952 1074789 1018199 831420 749535 DL-3-Phenyllactic acid 1029824 1099818 1047870 1073450 1074469 755740 815270 629270 753567 760770 N-Glycolylneuraminic acid 390908 337726 467705 329719 332120 746600 956819 901169 734348 691222 3-hydroxypalmitoyl-CoA 567423 510556 625680 514154 560456 702644 879160 807703 773175 717900 dTDP-4-acetamido-4,6-dideoxy-D-galactose 914849 832581 1034045 943396 939719 155279 184963 182469 180959 172239 Acetyl-CoA 1 1 1 1 1 732643 884890 848270 746696 629482 Lactitol 1 1 1 1 1 267825 780925 918785 985811 790072 Bis-γ-glutamylcystine 252678 247342 350616 195999 213241 704698 913530 850322 624196 503649 2-Ketobutyrate 1 1 1 1 1 729569 697963 635678 736910 713146 UDPG / Uridine 5'-diphosphoglucose 108285 94381 129469 100552 111039 734331 893926 853611 736032 1 L-Alanine 578113 483680 530710 464032 513509 660659 702948 655942 602946 590220 D-Tagatose 6-phosphate 1 1 1 1 1 566809 644191 588473 603231 524901 Hypoxanthine 545786 581423 649876 615968 665175 478346 458295 420721 464538 407832 Sorbitol-6-phosphate 1 1 1 1 1 1 748123 566643 581516 541311 UDP-N-acetyl-D-galactosamine 132974 139671 184642 139804 140487 445234 551216 512401 463105 457860 5'-AMP / Adenosine 5'-monophosphate 374254 323000 400205 288297 301558 482446 563544 482378 428842 356366 Acetyl-L-tyrosine 528407 497647 601072 494647 533266 408521 409160 386223 1 1 Phenylacetaldehyde 484408 469287 513988 468274 494218 356222 358173 354821 344147 336940 6,7-Dimethyl-8-(1-D-ribityl)lumazine 1 1 1 1 1 394643 409311 380667 377028 377646 alpha,alpha'-Trehalose 6-palmitate 289960 273771 316088 307199 324476 372231 411970 388182 344214 378065 Maltotriose 473221 426670 439904 441573 465809 344905 357233 317294 400862 383929 Ophthalmic acid 445558 372912 637415 400694 388268 256157 331986 309615 253352 224718 a-L-Rhamnose 412981 458763 377414 423771 447543 376328 290531 324343 366790 332003 UDP-D-galacturonate 179451 161877 200219 184452 165305 309876 396483 370956 338790 329244 D-Pantothenoyl-L-cysteine 59525 1 71226 1 53683 340195 400752 375101 269814 285410 PS(16:0/0:0) 501719 10182 539725 490605 426287 1 50559 1 1 1 UDP-L-Ara4FN 219365 231485 246580 234011 246483 327976 345657 346748 303003 326642 Hexanoylglycine 1 1 1 1 1 304182 302111 327409 352532 320898 Coenzyme A (CoA) 1 1 73241 1 22006 197851 455443 176007 388738 212178 D-Gal α 1-6D-Gal α 1-6D-Glucose 347736 337150 401405 339731 323377 63373 196948 181859 164620 186281 N-Lactoyl-phenylalanine 139447 1 1 133480 1 294366 268745 288701 243435 290133 5'-CMP / Cytidine-5-monophosphate 295105 286825 374826 285456 279162 1 237546 242389 211539 189625 Hydroxyphenyllactic acid 1 493422 452978 1 469251 29857 20026 136784 1 122675 L-2-Aminoadipic acid 1 1 1 1 1 234601 300400 259534 213108 197137 Hexylglutathione 163460 169237 222006 191391 198743 226405 262358 259323 232542 231915 L-Tyrosine 278965 272501 279980 278396 292704 1 22317 38723 1 1 dTMP 104032 100504 1 99390 1 1 315607 281963 245174 238532 5-Methyl-THF 1 1 1 1 1 190955 228345 238129 217157 220572 ADP-ribose 1″-2″ cyclic phosphate 1 1 182183 1 1 216629 224600 226642 223523 185252 KAPA 174238 160169 170921 126220 183437 242879 225413 208807 212872 177122 Octanoyl-CoA 125964 162324 263125 205166 220202 86679 85255 87515 78951 88301 3-Oxooctadecanoyl-CoA 211528 194387 229962 148615 165089 119138 147440 213376 121468 117127 UDP / Uridine 5'-diphosphate 211486 196649 255348 135586 148129 1 135476 1 1 1 NADPH 1 1 1 1 1 31809 250440 196534 59513 156982 1,6-Anhydro-N-acetyl-beta-muramate 190093 163067 241350 112478 138806 1 115464 98549 40875 1 7-Hydroxy-6-methyl-8-ribityl lumazine 1 112297 1 111367 114003 131968 143415 147619 136409 119197 dT / Thymidine 99901 1 1 1 1 137110 147746 137512 115062 120319 Glycerophosphocholine 1 1 1 1 1 141477 164003 145422 136353 1 UDP-3-O-(β-hydroxymyristoyl)-GlcNAc 1 1 1 1 1 122760 115720 108301 131867 98315 S-Ribosyl-L-homocysteine 1 1 1 1 1 115898 143834 134502 115272 1 Indolelactic acid 113067 107461 133209 105200 136067 1 69254 1 43481 1 3-hydroxy-tetradecanoic acid 1 1 1 1 1 1 88121 147281 169400 56164 Maltotetraose 1 31947 1 1 1 74829 94298 42843 63179 1 4-Phosphopantothenoylcysteine 1 1 51415 1 1 31254 44680 11277 22084 8011 ITP / Inosine 5'-triphopshate 569355 228587 1 500599 592006 18343 1 1 1 1 PE(16:0/18:2(9Z,12Z)) 305866 55947 292975 520123 237881 170221 1 1 1 1 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate 275901 244359 363125 256063 227834 1 1 1 1 1 Beta-d-lactose 183960 155852 229680 212880 201894 10391 1 15823 1 1 Flavine mononucleotide (FMN) 69180 64577 101116 73435 76080 19714 1 1 1 1 4-Hydroxyphenylacetyl-CoA 68117 38534 120084 48286 51464 1 1 1 1 1 Adenosine 1 65216 76043 80126 82579 1 1 64241 1 1 7E-Octadecenoic acid 37343 96504 1 76184 75315 1 1 1 1 1 UDP-N-acetylmuramoyl-L-alanine 60770 58589 81559 26969 30078 1 1 1 1 1 CoA-glutathione 1 1 1 1 1 27697 1 1 77110 67650 Imidazole lactate 457842 438487 424047 407350 1 1 1 1 1 1 Stearoyl-CoA 41289 82413 118060 63961 1 1 1 1 1 1 PE(14:1(9Z)/18:1(9Z)) 42821 31116 12882 43333 1 1 1 1 1 1 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Mass Retention Time DT CCS Ion Species N-palmitoyl taurine 363.2546 2.1119971 22.892197 190.23802 [M-H]- Maltotriitol 506.1843 9.540875 24.79318 203.88808 [M-H]- beta-D-Glc-(1-4)-alpha-L-Rha-(1-3)-beta-D-Glc 488.1746 6.4729676 26.894802 220.76694 [M+CH3COO]- D-Sorbitol 182.08 3.837005 15.238536 131.07472 [M-H]- Inosine 268.0802 2.763995 18.83319 158.50221 [M-H]- Cyclic adenosine diphosphate ribose 541.0606 9.730913 27.292835 224.1058 [M-H]- L-Lysine 146.1058 14.287778 15.314207 133.93623 [M-H]- UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6- diaminopimelate 1051.2747 15.558723 20.25078 328.58084 [M-2H]-2 5-Amino-6-ribitylamino uracil 276.1119 2.705995 19.713213 165.6769 [M-H]- 2-Keto-3-deoxy-D-gluconic acid 178.0504 3.5649917 17.500612 148.17201 [M+CH3COO]- Xanthine 152.0341 2.5009959 13.884546 121.05003 [M-H]- L-Histidine 155.0695 6.6779656 14.814356 128.9547 [M-H]- L-Fuculose 1-phosphate 244.0342 8.537962 17.154419 144.98561 [M-H]- UMP / Uridine 5-monophosphate 324.0353 9.206925 19.371021 161.68202 [M-H]- N-stearoyl taurine 391.285 2.0779974 23.754759 196.89525 [M-H]- PS(18:0/0:0) 525.3068 2.225997 26.930939 221.29825 [M-H]- Farnesyl pyrophosphate 382.1215 11.169879 21.500675 178.35893 [M-H]- NAD 663.1157 9.730913 27.341732 223.48474 [M-H]- dTDP-6-deoxy-D-allose 548.0805 7.499954 26.058178 213.90182 [M-H]- LysoPE(0:0/18:1(9Z)) 479.3004 2.1889968 26.080189 214.83057 [M-H]- Dihydroxyacetone (glycerone) 90.0324 6.554018 20.884872 191.70885 [M-H]- cAMP / Adenosine 3-5-cyclic monophosphate 329.0537 3.7759907 20.618776 171.98904 [M-H]- UDP-N-acetylmuraminate 679.1077 9.729914 28.951527 236.52737 [M-H]- N-Succinyl-2-amino-6-oxopimelate 289.083 3.5399926 19.865206 166.63008 [M-H]- D-Glucose 6-phosphate 260.029 12.579815 18.777811 156.81781 [M+CH3COO]- 1,5-Anhydrosorbitol 164.069 3.836005 15.071523 130.5941 [M-H]- Poly-g-D-glutamate 518.1965 12.567839 24.942701 205.03464 [M-H]- DL-3-Phenyllactic acid 166.0626 2.184997 15.854479 137.29703 [M-H]- N-Glycolylneuraminic acid 325.0999 11.022883 19.725008 164.61436 [M-H]- 3-hydroxypalmitoyl-CoA 1021.3472 7.365957 20.53528 333.32306 [M-2H]-2 dTDP-4-acetamido-4,6-dideoxy-D-galactose 589.1114 7.10496 27.627567 226.39664 [M-H]- Acetyl-CoA 809.1309 10.865955 17.539597 285.61844 [M-2H]-2 Lactitol 344.1319 6.0810037 22.593666 188.07356 [M-H]- Bis-γ-glutamylcystine 498.1122 11.338875 25.024204 205.91788 [M-H]- 2-Ketobutyrate 102.0329 3.836005 15.156238 137.11089 [M-H]- UDPG / Uridine 5'-diphosphoglucose 566.059 8.519927 25.286577 207.41747 [M-H]- L-Alanine 89.0489 3.3319926 17.71259 162.82469 [M-H]- D-Tagatose 6-phosphate 260.0288 11.289946 17.25026 145.35193 [M-H]- Hypoxanthine 136.039 2.441996 13.777193 121.22206 [M-H]- Sorbitol-6-phosphate 262.0444 11.893892 17.140682 144.29568 [M-H]- UDP-N-acetyl-D-galactosamine 607.0879 8.324942 27.299213 223.55545 [M-H]- 5'-AMP / Adenosine 5'-monophosphate 347.062 9.157927 20.456179 170.28358 [M-H]- Acetyl-L-tyrosine 223.0839 3.12299 17.875841 151.90437 [M-H]- Phenylacetaldehyde 120.0577 2.1829972 13.745478 122.329575 [M-H]- 6,7-Dimethyl-8-(1-D-ribityl)lumazine 326.1217 4.1550055 22.72292 189.54428 [M-H]- alpha,alpha'-Trehalose 6-palmitate 580.3315 11.719866 29.14972 238.4324 [M+CH3COO]- Maltotriose 504.1739 9.153926 26.13573 214.99368 [M-H]- Ophthalmic acid 289.1268 10.557895 19.23508 161.32176 [M-H]- a-L-Rhamnose 164.0681 3.655991 14.7838955 128.14212 [M-H]- UDP-D-galacturonate 580.0331 10.650892 25.825115 211.70401 [M-H]- D-Pantothenoyl-L-cysteine 322.1093 3.1400084 19.831673 165.53651 [M-H]- PS(16:0/0:0) 497.274 2.3679917 26.08348 214.65157 [M-H]- UDP-L-Ara4FN 563.0491 9.732915 25.711086 210.91623 [M-H]- Hexanoylglycine 173.1057 2.8210037 16.214615 139.95418 [M-H]- Coenzyme A (CoA) 767.1136 14.559784 17.914427 291.94348 [M-2H]-2 D-Gal α 1-6D-Gal α 1-6D-Glucose 504.1738 9.5459175 24.21799 199.221 [M-H]- N-Lactoyl-phenylalanine 237.1005 3.135999 17.455156 147.81606 [M-H]- 5'-CMP / Cytidine-5-monophosphate 323.0507 11.405849 19.75022 164.83234 [M-H]- Hydroxyphenyllactic acid 182.0572 2.7659953 16.483809 141.80943 [M-H]- L-2-Aminoadipic acid 161.0684 9.707975 14.986783 130.0383 [M-H]- Hexylglutathione 391.1829 6.1939707 24.01816 198.18922 [M+CH3COO]- L-Tyrosine 181.0736 3.991978 16.783743 144.44196 [M-H]- dTMP 322.0551 7.675949 19.587097 163.52197 [M-H]- 5-Methyl-THF 459.1959 6.5390024 25.991348 213.57478 [M+CH3COO]- ADP-ribose 1″-2″ cyclic phosphate 621.0262 15.598682 28.1881 230.60637 [M-H]- KAPA 187.1219 2.3599963 16.985144 145.87364 [M-H]- Octanoyl-CoA 893.1877 6.7619643 33.64863 273.32224 [M+CH3COO]- 3-Oxooctadecanoyl-CoA 1047.3762 17.598621 26.028412 211.16049 [M-H]- UDP / Uridine 5'-diphosphate 404.001 9.725879 16.394644 135.76506 [M-H]- NADPH 745.0892 13.672879 17.266651 281.58075 [M-2H]-2 1,6-Anhydro-N-acetyl-beta-muramate 275.0995 9.731876 16.350471 137.42126 [M-H]- 7-Hydroxy-6-methyl-8-ribityl lumazine 328.103 3.3649814 20.274584 169.12549 [M-H]- dT / Thymidine 242.0903 4.936032 18.569735 157.09123 [M-H]- Glycerophosphocholine 257.1013 5.3910003 18.984095 160.05225 [M-H]- UDP-3-O-(β-hydroxymyristoyl)-GlcNAc 833.2767 3.3090043 18.387133 299.27036 [M-2H]-2 S-Ribosyl-L-homocysteine 267.0818 10.434942 19.81405 165.27037 [M+CH3COO]- Indolelactic acid 205.0737 2.6869915 17.518126 149.57848 [M-H]- 3-hydroxy-tetradecanoic acid 244.204 2.0680006 19.720575 166.59747 [M-H]- Maltotetraose 666.22 10.166925 28.150402 230.10017 [M-H]- 4-Phosphopantothenoylcysteine 402.0955 18.9644 22.399473 185.40767 [M-H]- ITP / Inosine 5'-triphopshate 507.9926 6.064967 25.63976 210.4866 [M+CH3COO]- PE(16:0/18:2(9Z,12Z)) 715.5155 2.0049953 32.50327 265.42233 [M-H]- UDP-N-acetylmuramoyl-L-alanyl-D-glutamate 879.1806 13.976712 18.356607 298.70538 [M-2H]-2 Beta-d-lactose 342.116 6.438953 21.90219 182.47232 [M-H]- Flavine mononucleotide (FMN) 456.1118 3.1859891 23.977945 197.90767 [M-H]- 4-Hydroxyphenylacetyl-CoA 901.1618 13.969713 19.016857 309.32956 [M-2H]-2 Adenosine 267.0962 2.3769784 18.735905 157.66194 [M-H]- 7E-Octadecenoic acid 282.2549 2.4699888 20.956171 176.06815 [M-H]- UDP-N-acetylmuramoyl-L-alanine 750.1371 10.55583 17.284811 282.01822 [M-2H]-2 CoA-glutathione 1072.1927 17.66865 19.896349 322.84848 [M-2H]-2 Imidazole lactate 156.0539 5.347953 14.531597 126.4974 [M-H]- Stearoyl-CoA 1033.373 17.99238 25.869324 210.01082 [M-H]- PE(14:1(9Z)/18:1(9Z)) 687.485 2.0529928 31.706741 259.0967 [M-H]- METABOLITES_END #END