#METABOLOMICS WORKBENCH NuriaCG_20231027_025506 DATATRACK_ID:4422 STUDY_ID:ST002948 ANALYSIS_ID:AN004835 PROJECT_ID:PR001833 VERSION 1 CREATED_ON October 30, 2023, 1:09 pm #PROJECT PR:PROJECT_TITLE Targeted metabolomics in severe asthmatic patients treated with biologics. PR:PROJECT_TYPE Targeted MS analysis PR:PROJECT_SUMMARY Severe asthmatic patients prescribed either Mepolizumab or Omalizumab were PR:PROJECT_SUMMARY followed during treatment, and serum samples were collected before treatment PR:PROJECT_SUMMARY (T0), and both at 6 (T1) and 18 months (T2) after starting biological treatment. PR:PROJECT_SUMMARY Treatment monitoring was performed by the analysis of a set of inflammatory PR:PROJECT_SUMMARY metabolites using targeted metabolomics. PR:INSTITUTE CEMBIO PR:LAST_NAME Contreras PR:FIRST_NAME Nuria PR:ADDRESS Urb. Montepríncipe s/n, Ctra. Boadilla del Monte km 5.3, Madrid 28668, Spain PR:EMAIL nuria.contrerasgomez1@ceu.es PR:PHONE +3491372470014750 #STUDY ST:STUDY_TITLE Multi-omics Approach Reveals a Specific Profile in Severe Asthmatic Patients ST:STUDY_TITLE Treated with Mepolizumab or Omalizumab ST:STUDY_SUMMARY The prevalence and severity of asthma continue to increase, and patients with ST:STUDY_SUMMARY uncontrolled severe asthma may require additional biological treatment. Given ST:STUDY_SUMMARY the pathophysiological heterogeneity underlying severe asthma, there is a lack ST:STUDY_SUMMARY of reliable biomarkers to monitor treatment response. In this context, this ST:STUDY_SUMMARY study aimed to identify potential biomarkers for monitoring the response to ST:STUDY_SUMMARY either Mepolizumab or Omalizumab in severe asthmatic patients using metabolomics ST:STUDY_SUMMARY and proteomics. Severe asthmatic patients who were prescribed either Mepolizumab ST:STUDY_SUMMARY (n=36) or Omalizumab (n=20) were followed during treatment, and serum samples ST:STUDY_SUMMARY were collected before treatment (T0), and both at 6 (T1) and 18 months (T2) ST:STUDY_SUMMARY after starting biological treatment. Treatment monitoring was performed by the ST:STUDY_SUMMARY analysis of a set of inflammatory metabolites and proteins using targeted ST:STUDY_SUMMARY metabolomic and proteomic approaches, along with the study of clinical variables ST:STUDY_SUMMARY such as the number of blood eosinophils, hospitalizations, and severe ST:STUDY_SUMMARY exacerbations. Mepolizumab and Omalizumab induced changes in the metabolomic and ST:STUDY_SUMMARY proteomic profiles of severe asthmatic patients. For both treatments, the ST:STUDY_SUMMARY greatest differences in metabolites were seen at T1 and maintained up to T2, ST:STUDY_SUMMARY whereas protein changes were seen throughout the treatment. Notable changes ST:STUDY_SUMMARY associated with anti-inflammatory effects included a decrease in several fatty ST:STUDY_SUMMARY acids, sphingosine-1-phosphate (S1P), L-arginine, and IL-10RA. Interestingly, ST:STUDY_SUMMARY S1P was the main feature that correlated significantly with eosinophilia in both ST:STUDY_SUMMARY treatments. These results unveil underlying molecular mechanisms that occur ST:STUDY_SUMMARY during Mepolizumab and Omalizumab treatments and provide potential biomarkers ST:STUDY_SUMMARY for monitoring treatment response in severe asthmatic patients. ST:INSTITUTE CEMBIO ST:LAST_NAME Contreras ST:FIRST_NAME Nuria ST:ADDRESS Urb. Montepríncipe s/n, Ctra. Boadilla del Monte km 5.3, Madrid 28668, Spain ST:EMAIL nuria.contrerasgomez1@ceu.es ST:PHONE +3491372470014750 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 54 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE ≥ 18 years SU:GENDER Male and female SU:HUMAN_MEDICATIONS Mepolizumab or Omalizumab #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 O1 O-T0-01 Time:T0 | Treatment:Omalizumab Gender=F; RAW_FILE_NAME=O-T0-01.mzML SUBJECT_SAMPLE_FACTORS O1 O-T1-01 Time:T1 | Treatment:Omalizumab Gender=F; RAW_FILE_NAME=O-T1-01.mzML SUBJECT_SAMPLE_FACTORS O1 O-T2-01 Time:T2 | Treatment:Omalizumab Gender=F; RAW_FILE_NAME=O-T2-01.mzML SUBJECT_SAMPLE_FACTORS O2 O-T0-02 Time:T0 | Treatment:Omalizumab Gender=F; RAW_FILE_NAME=O-T0-02.mzML SUBJECT_SAMPLE_FACTORS O2 O-T1-02 Time:T1 | Treatment:Omalizumab Gender=F; RAW_FILE_NAME=O-T1-02.mzML SUBJECT_SAMPLE_FACTORS O2 O-T2-02 Time:T2 | Treatment:Omalizumab Gender=F; 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RAW_FILE_NAME=Me-T1-39.mzML SUBJECT_SAMPLE_FACTORS Me31 Me-T2-39 Time:T2 | Treatment:Mepolizumab Gender=M; RAW_FILE_NAME=Me-T2-39.mzML SUBJECT_SAMPLE_FACTORS Me32 Me-T0-40 Time:T0 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T0-40.mzML SUBJECT_SAMPLE_FACTORS Me32 Me-T1-40 Time:T1 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T1-40.mzML SUBJECT_SAMPLE_FACTORS Me32 Me-T2-40 Time:T2 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T2-40.mzML SUBJECT_SAMPLE_FACTORS Me33 Me-T0-41 Time:T0 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T0-41.mzML SUBJECT_SAMPLE_FACTORS Me33 Me-T1-41 Time:T1 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T1-41.mzML SUBJECT_SAMPLE_FACTORS Me33 Me-T2-41 Time:T2 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T2-41.mzML SUBJECT_SAMPLE_FACTORS Me34 Me-T0-42 Time:T0 | Treatment:Mepolizumab Gender=M; RAW_FILE_NAME=Me-T0-42.mzML SUBJECT_SAMPLE_FACTORS Me34 Me-T1-42 Time:T1 | Treatment:Mepolizumab Gender=M; RAW_FILE_NAME=Me-T1-42.mzML SUBJECT_SAMPLE_FACTORS Me34 Me-T2-42 Time:T2 | Treatment:Mepolizumab Gender=M; RAW_FILE_NAME=Me-T2-42.mzML SUBJECT_SAMPLE_FACTORS Me35 Me-T0-43 Time:T0 | Treatment:Mepolizumab Gender=M; RAW_FILE_NAME=Me-T0-43.mzML SUBJECT_SAMPLE_FACTORS Me35 Me-T1-43 Time:T1 | Treatment:Mepolizumab Gender=M; RAW_FILE_NAME=Me-T1-43.mzML SUBJECT_SAMPLE_FACTORS Me35 Me-T2-43 Time:T2 | Treatment:Mepolizumab Gender=M; RAW_FILE_NAME=Me-T2-43.mzML SUBJECT_SAMPLE_FACTORS Me36 Me-T0-45 Time:T0 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T0-45.mzML SUBJECT_SAMPLE_FACTORS Me36 Me-T1-45 Time:T1 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T1-45.mzML SUBJECT_SAMPLE_FACTORS Me36 Me-T2-45 Time:T2 | Treatment:Mepolizumab Gender=F; RAW_FILE_NAME=Me-T2-45.mzML #COLLECTION CO:COLLECTION_SUMMARY Whole blood from the three hospital-scheduled visits was incubated with a CO:COLLECTION_SUMMARY clotting agent in Vacutainer SST II tubes. Samples were placed at room CO:COLLECTION_SUMMARY temperature for 30 min and then centrifuged at 2000 x g for 10 min for serum CO:COLLECTION_SUMMARY recovery. Serum samples were stored at -80ºC until further metabolomic CO:COLLECTION_SUMMARY analyses. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Patients were prescribed add-on biological treatments following the GINA TR:TREATMENT_SUMMARY guidelines. Mepolizumab was used in patients with >300 eosinophils/µL (without TR:TREATMENT_SUMMARY corticosteroids treatment) or >100 eosinophils/µL (with corticosteroids). TR:TREATMENT_SUMMARY Meanwhile, Omalizumab was chosen in uncontrolled severe allergic asthmatics with TR:TREATMENT_SUMMARY serum IgE levels between 30 and 1500 IU/mL and body weight within the dosing TR:TREATMENT_SUMMARY range. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For sample preparation, 50 µL of serum was mixed with 150 µL of cold (−20 SP:SAMPLEPREP_SUMMARY °C) methanol: ethanol mix (MeOH:EtOH) (1:1). Then, serum samples were SP:SAMPLEPREP_SUMMARY vortex-mixed for 1 min, placed on ice for 15 min and centrifuged at 16000× g SP:SAMPLEPREP_SUMMARY for 20 min at 4 °C. Subsequently, 70 µL of the supernatant was transferred SP:SAMPLEPREP_SUMMARY into an LC vial and mixed with 50 µL of ISTD mix, (with a final concentration SP:SAMPLEPREP_SUMMARY of 0.2 µg/mL for HILIC and 0.3 µg/mL for re-versed-phase method) and 440 µL SP:SAMPLEPREP_SUMMARY of the initial conditions of the mobile phases for the HILIC method. For blank SP:SAMPLEPREP_SUMMARY preparation, 50 µL of water was used and the same steps as described above were SP:SAMPLEPREP_SUMMARY followed. SP:EXTRACT_STORAGE -20℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY To detect metabolites with medium polarity (arachidonic acid, bilirubin, lactic CH:CHROMATOGRAPHY_SUMMARY acid, lauric acid, LPC 14:0, LPC 16:0, LPC 17:0, LPC 17:1, LPC 18:0, LPC 18:1, CH:CHROMATOGRAPHY_SUMMARY LPC 18:1 d7, LPC 19:0, LPC 20:0, LPE 18:0, LPI 20:4, oleic acid, palmitic acid CH:CHROMATOGRAPHY_SUMMARY d31, palmitoleic acid, sphingosine, sphingosine d7, and S1P). For metabolite CH:CHROMATOGRAPHY_SUMMARY separation, a gradient elution on a Supelco Ascentis Express reversed-phase (150 CH:CHROMATOGRAPHY_SUMMARY mm × 2.1 mm × 2.7 μm) column maintained at 60 °C was used. The mobile phases CH:CHROMATOGRAPHY_SUMMARY consisted of (A) water, and (B) ACN, both with 0.1% acetic acid, obtaining a CH:CHROMATOGRAPHY_SUMMARY final pH of 3.3 in the aqueous phase. The flow rate was 0.6 mL/min. The gradient CH:CHROMATOGRAPHY_SUMMARY started with 20% of B for 2 min, then increased up to 100% until 10 min and CH:CHROMATOGRAPHY_SUMMARY maintained for 5 min, then returned to initial conditions until 20 min. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1260 Infinity II CH:COLUMN_NAME Merck Supelco Ascentis Express C8 (150 x 2.1mm, 2.7um, 90Å) CH:SOLVENT_A 100% water; 0.1% acetic acid CH:SOLVENT_B 100% acetonitrile; 0.1% acetic acid CH:FLOW_GRADIENT The gradient started with 20% of B for 2 min, then increased up to 100% until 10 CH:FLOW_GRADIENT min and maintained for 5 min, then returned to initial conditions until 20 min. CH:FLOW_RATE 0.6mL/min CH:COLUMN_TEMPERATURE 60ºC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6470 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The MS was done with polarity switching with the following conditions: 3500 V of MS:MS_COMMENTS capillary voltage in positive ESI mode and 3000V in negative ESI mode, a MS:MS_COMMENTS nebulizer gas flow rate of 10.0 L/min, a source temperature of 250 °C; and a MS:MS_COMMENTS source pressure of 45 psi. Chromatogram visualization and peak areas were MS:MS_COMMENTS obtained using MassHunter Workstation B.05.00 and MassHunter QQQ Quantitative MS:MS_COMMENTS Analysis B.08.00, respectively. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Areas MS_METABOLITE_DATA_START Samples O-T0-01 O-T1-01 O-T2-01 O-T0-02 O-T1-02 O-T2-02 O-T0-03 O-T1-03 O-T2-03 O-T0-04 O-T1-04 O-T2-04 O-T0-05 O-T1-05 O-T2-05 O-T0-06 O-T1-06 O-T2-06 O-T0-08 O-T1-08 O-T2-08 O-T0-09 O-T1-09 O-T2-09 O-T0-10 O-T1-10 O-T2-10 O-T0-12 O-T1-12 O-T2-12 O-T0-13 O-T1-13 O-T2-13 O-T0-14 O-T1-14 O-T2-14 O-T0-16 O-T1-16 O-T2-16 O-T0-17 O-T1-17 O-T2-17 O-T0-18 O-T1-18 O-T2-18 O-T0-20 O-T1-20 O-T2-20 O-T0-22 O-T1-22 O-T2-22 O-T0-23 O-T1-23 O-T2-23 Me-T0-01 Me-T1-01 Me-T2-01 Me-T0-03 Me-T1-03 Me-T2-03 Me-T0-04 Me-T1-04 Me-T2-04 Me-T0-05 Me-T1-05 Me-T2-05 Me-T0-06 Me-T1-06 Me-T2-06 Me-T0-07 Me-T1-07 Me-T2-07 Me-T0-08 Me-T1-08 Me-T2-08 Me-T0-10 Me-T1-10 Me-T2-10 Me-T0-11 Me-T1-11 Me-T2-11 Me-T0-12 Me-T1-12 Me-T2-12 Me-T0-16 Me-T1-16 Me-T2-16 Me-T0-17 Me-T1-17 Me-T2-17 Me-T0-18 Me-T1-18 Me-T2-18 Me-T0-19 Me-T1-19 Me-T2-19 Me-T0-20 Me-T1-20 Me-T2-20 Me-T0-21 Me-T1-21 Me-T2-21 Me-T0-22 Me-T1-22 Me-T2-22 Me-T0-23 Me-T1-23 Me-T2-23 Me-T0-25 Me-T1-25 Me-T2-25 Me-T0-26 Me-T1-26 Me-T2-26 Me-T0-27 Me-T1-27 Me-T2-27 Me-T0-29 Me-T1-29 Me-T2-29 Me-T0-30 Me-T1-30 Me-T2-30 Me-T0-31 Me-T1-31 Me-T2-31 Me-T0-32 Me-T1-32 Me-T2-32 Me-T0-33 Me-T1-33 Me-T2-33 Me-T0-34 Me-T1-34 Me-T2-34 Me-T0-35 Me-T1-35 Me-T2-35 Me-T0-37 Me-T1-37 Me-T2-37 Me-T0-38 Me-T1-38 Me-T2-38 Me-T0-39 Me-T1-39 Me-T2-39 Me-T0-40 Me-T1-40 Me-T2-40 Me-T0-41 Me-T1-41 Me-T2-41 Me-T0-42 Me-T1-42 Me-T2-42 Me-T0-43 Me-T1-43 Me-T2-43 Me-T0-45 Me-T1-45 Me-T2-45 Factors Time:T0 | Treatment:Omalizumab Time:T1 | Treatment:Omalizumab Time:T2 | Treatment:Omalizumab Time:T0 | Treatment:Omalizumab Time:T1 | Treatment:Omalizumab Time:T2 | Treatment:Omalizumab Time:T0 | Treatment:Omalizumab Time:T1 | Treatment:Omalizumab Time:T2 | Treatment:Omalizumab Time:T0 | Treatment:Omalizumab Time:T1 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Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Time:T0 | Treatment:Mepolizumab Time:T1 | Treatment:Mepolizumab Time:T2 | Treatment:Mepolizumab Sphingosine 1093045375 2075275375 1028375 208375 107375 61598375 61375 202375 182375 210375 150375 249375 296375 257375 234375 146375 138375 132375 643375 585375 269375 236375 385375 406375 64375 290375 108375 111509375 235398375 479978375 261375 167375 158375 -11625 42375 290375 249375 298375 124375 955375 359375 375375 317375 208375 65697375 534375 698375 162375 531375 399375 61375 119375 140375 141375 187375 303375 247375 122738375 262065375 539620375 392375 256375 387375 179375 152375 73375 518375 16375 184375 116395375 245415375 509571375 345375 277375 146375 270375 294375 113375 688375 -13625 279375 153375 335375 45375 107375 41375 58645375 153375 487375 88375 365375 155375 451375 160375 131375 2098375 1811636375 978375 416375 32375 56375 90375 12375 79375 107375 24375 61375 312375 203375 608375 103375 386375 210375 1094375 198375 66375 26375 219757375 442947375 945964375 600375 52375 1361375 196375 147375 206375 121375 671375 262375 64375 155375 -84625 51375 74375 164375 231375 266375 212375 158375 153375 44375 466375 3375 79375 200375 89375 212375 1029005375 1974525375 1051375 -276625 113375 159375 177375 128375 173375 322375 72375 607375 152375 35375 86375 Sphingosine-1-Phosphate 3327375 5523375 1469375 1549375 869375 893375 3622375 3071375 3290375 1891375 1417375 1386375 2384375 2751375 2614375 1600375 2876375 3177375 1372375 1811375 1775375 2636375 2832375 3486375 1996375 1644375 2350375 1016375 1338375 1579375 832375 1669375 1654375 1549375 1239375 2432375 1518375 1312375 1776375 2582375 1302375 1134375 4374375 886375 974375 3169375 2552375 2789375 2092375 2941375 2126375 2186375 2055375 1746375 1644375 1524375 1363375 1195375 1341375 1716375 3621375 2840375 4047375 2602375 2262375 2453375 2565375 1199375 1774375 1149375 741375 2024375 3480375 2831375 1750375 3288375 1836375 1567375 3406375 1218375 1585375 3987375 4215375 1754375 1936375 819375 1057375 1417375 2523375 1411375 3555375 3730375 2787375 3034375 1427375 4806375 5332375 1507375 2612375 1337375 1844375 2174375 2506375 1313375 2794375 2109375 1864375 3026375 1709375 2464375 1786375 2820375 3275375 4601375 1182375 638375 2028375 1226375 1661375 3095375 3682375 1742375 3511375 3369375 3014375 3458375 2209375 3650375 2914375 2507375 2170375 1469375 2508375 2457375 3215375 1586375 1440375 802375 2779375 3237375 1763375 3063375 2539375 3587375 1611375 1453375 2214375 3030375 5422375 1860375 -19625 1692375 1823375 2585375 1909375 1834375 2212375 2383375 3041375 1946375 1785375 1705375 LPC 14:0 56587625 101901625 17399625 21732625 10794625 13639625 21743625 23862625 25561625 13430625 13519625 13906625 19603625 13784625 15480625 27968625 24849625 7842625 9486625 14108625 24931625 14230625 14100625 35053625 18786625 19167625 24487625 14812625 19537625 29066625 11411625 17028625 9623625 25466625 19481625 23994625 36655625 8383625 10058625 20809625 15736625 16130625 15804625 11711625 14118625 19777625 8463625 11515625 7677625 6851625 24441625 27900625 22131625 19127625 28460625 15887625 24267625 16298625 21837625 32554625 21103625 4043625 19857625 13222625 12871625 39811625 28569625 15711625 24102625 15347625 20638625 30876625 24613625 20462625 12062625 19634625 16694625 24759625 10804625 13321625 9028625 19753625 34347625 17062625 29961625 10473625 12927625 10043625 9408625 12799625 10221625 24225625 16144625 4417625 7730625 19593625 87437625 15638625 18860625 15176625 13422625 15588625 18481625 9003625 9871625 8586625 7821625 5516625 10429625 20204625 10198625 22425625 33006625 24665625 7602625 7020625 22355625 16830625 25726625 47152625 14084625 11874625 27825625 14465625 18934625 16607625 11239625 6825625 15720625 20749625 20457625 4662625 12019625 16817625 7151625 14832625 14545625 8977625 19567625 17187625 8826625 22537625 17615625 19738625 22420625 6666625 14523625 52250625 95998625 16835625 -62375 13720625 13537625 17522625 15163625 11604625 29808625 18411625 23437625 18566625 20417625 23857625 LPC 16:0 325380525 530671225 104800025 106259125 68489425 83816325 113666725 98916725 143093725 85811625 86426925 86883325 133484225 82777925 100318125 119336425 116468125 84187925 67868725 101793425 120601825 113871025 116271825 146152225 105112125 106870725 123478925 91047925 118474525 178306125 76885725 92418725 80268325 84837025 97948425 112110925 134742625 156550225 86933625 101966625 87185225 88829625 134719225 72126025 89638625 116162025 103201025 68206425 91177125 90600025 95415625 126862625 103143125 129374125 114431525 94737025 116815525 99993625 133503525 198385825 131901125 88569225 149855025 74815225 71342825 150093125 155790425 96313225 116470325 94422625 124759725 186864325 138432725 129526225 135259225 111022925 156645325 132304725 79736325 79528025 81335525 124364525 148517125 128241025 149090925 65561625 79458625 65782225 87297525 93784525 103492225 150141325 97079325 55862825 58211625 123893125 492244325 93284725 101595025 128827425 109915025 139157825 109014725 94776625 84208225 86342325 84816125 69813125 79064725 86457025 75654125 99975925 119027625 131356425 77253825 75067025 102534725 109001625 163453925 287372725 120133225 92232725 128800125 88305625 98491525 86652125 81807325 73720925 86924425 161032425 124568925 77975925 84481125 118458925 86710325 89110025 88842825 58291425 88603225 84626925 71734925 121325825 100894025 98404725 85478425 65315225 101907325 310591425 516358825 101381125 -217775 84930425 85760425 126195725 108757625 64965125 132892925 78405425 119827825 102819525 78401525 107629325 LPC 17:0 473585 802325 139695 174595 93865 121015 145985 89815 197285 112325 114925 114375 212975 140845 154905 165305 168335 132295 94375 127115 165765 138745 109315 232565 87635 106405 173585 126205 157235 241385 126085 126515 112135 124195 131785 160575 162645 264595 120065 112505 104025 93415 155905 100245 118285 132485 82925 109685 98965 86295 122595 194865 139945 154515 134195 108575 127235 139505 189145 274325 150805 84995 179995 110865 123335 264605 112005 71175 86435 130755 175815 259565 195895 217375 294565 144365 261325 244795 151005 137405 149505 208125 233165 201735 277035 86485 114335 103805 78285 100005 146715 217085 123445 67775 98955 100155 745525 128155 134755 191535 135925 204965 152305 133925 122935 91495 109445 83235 83785 122855 101605 132825 238285 146155 81835 88315 100225 159325 244035 424755 176595 115405 134695 104125 115535 75925 99945 82935 109675 210985 197925 88425 99945 122875 95765 110235 121525 93965 90935 90235 80495 279195 158815 98805 129995 70435 149865 443535 798865 140345 -915 111575 111405 188835 133705 81455 171235 146255 174515 119245 143805 194355 LPC 17:1 9018 15784 2710 2671 1870 2186 2638 2783 3242 2236 2448 2254 3549 2398 2973 3080 3183 1666 2482 2681 2547 2433 2057 5822 2301 2555 4110 2396 3264 4864 2298 2411 2145 2621 2730 3252 3506 3680 2279 2233 1841 1587 3620 1875 2571 3111 1652 2662 1293 1031 2558 4459 3643 2566 3521 3076 3336 2707 3656 5483 3128 1629 3909 2570 2850 4349 3398 1547 2255 2515 3193 5015 3333 4084 2892 2871 4666 4855 2565 2487 2426 4009 5169 3215 4943 1553 2213 1836 1447 2028 2522 3780 2452 1869 1552 2140 14244 2467 1729 3664 2864 4120 3017 2667 2357 1471 1435 1149 1801 2743 1842 3049 5126 2561 1568 1692 2886 2840 4274 7888 2936 2446 2569 1909 2475 1674 2187 1690 2031 3347 4322 1341 2088 2635 1794 2273 2417 1426 1611 1449 1653 5291 3094 2544 2732 1319 2617 8705 15564 2783 0 2062 2407 2388 2387 1392 3475 2164 3448 1979 2891 3837 LPC 18:0 967088875 1743532875 268820875 326680875 195564875 228136875 283458875 246380875 351169875 218355875 216508875 222663875 406638875 244949875 295473875 289167875 289744875 233043875 211724875 249295875 422895875 363441875 338955875 457073875 322898875 345691875 337341875 248754875 327038875 511105875 205147875 246222875 238807875 177182875 290435875 318184875 341659875 554874875 279806875 294009875 220125875 265720875 472376875 190605875 252796875 331951875 297926875 172999875 329245875 338634875 213040875 362690875 306775875 363982875 240762875 266894875 267687875 261248875 367747875 521625875 415436875 307557875 446048875 203213875 188144875 437891875 476650875 270453875 315568875 271490875 351845875 520646875 397870875 403632875 433623875 332443875 468806875 405362875 247145875 230327875 216510875 437891875 464161875 339957875 475274875 181879875 217532875 145596875 236110875 282809875 261222875 478482875 296959875 192539875 239040875 296312875 1621333875 251378875 258829875 324466875 230151875 356209875 304438875 244330875 219824875 161872875 210263875 156250875 248250875 185799875 152939875 273706875 335099875 334546875 188762875 179023875 243292875 309475875 488160875 898751875 372678875 307140875 399436875 242039875 275776875 288641875 254720875 269262875 272123875 410346875 317557875 176501875 259504875 311502875 212750875 242787875 243597875 169505875 215274875 233396875 228605875 345893875 302042875 275100875 187644875 187129875 292602875 922335875 1681077875 263886875 -1179125 201488875 219098875 361832875 327207875 191885875 367821875 189634875 343724875 322658875 204594875 276001875 LPC 18:1 812775 1418445 201272 194907 132513 169194 190186 144500 225804 162796 162507 163359 336023 169254 253894 183085 153598 143556 150841 241127 203679 189895 164522 342585 218605 245980 296827 189009 257398 416813 131295 221153 255195 135547 224980 264035 251648 259579 157612 146450 121718 113783 271000 133732 183739 219708 171706 198084 239895 183567 156864 247980 257117 244055 322616 247809 254407 208682 291469 458799 308422 250275 372484 233781 230770 304842 322079 138275 184042 200077 275304 435911 223569 261380 242331 219680 328883 282406 171278 192767 218655 325817 402854 224417 350135 124957 161018 140239 131371 170141 219144 295044 165871 116704 109361 139561 1268951 183449 112648 203197 228389 388624 224158 207099 166110 128842 130243 102754 145175 186727 150804 230855 306556 290258 165449 214853 181011 237744 371681 696610 285029 261047 228515 162449 175025 159827 142469 117606 151804 277487 237868 119232 158445 253721 181730 172620 173218 111879 119990 100382 138970 267077 287545 184820 153369 148590 230780 767029 1378696 197573 0 159407 158806 211434 177223 96246 202715 134669 194443 141623 171063 222112 LPC 19:0 3089125 5535125 656125 62125 637125 654125 741125 728125 789125 79125 -6875 -15875 37125 50125 55125 -14875 27125 75125 -4875 60125 65125 21125 52125 72125 17125 15125 8125 762125 1011125 1659125 47125 -12875 -4875 54125 31125 110125 77125 -4875 55125 33125 -5875 521125 695125 540125 756125 -4875 0125 -4875 50125 22125 29125 7125 -6875 7125 -10875 -13875 37125 585125 1135125 1552125 -16875 39125 90125 28125 29125 114125 23125 5125 11125 734125 951125 1564125 26125 80125 -9875 64125 78125 38125 6125 34125 1125 52125 -6875 68125 70125 801125 730125 12125 -1875 15125 1125 39125 67125 -5875 85125 24125 5981125 685125 -4875 1039125 769125 1122125 24125 73125 16125 37125 21125 -8875 -2875 22125 63125 -1875 21125 25125 9125 -17875 56125 1084125 1810125 3290125 64125 113125 9125 73125 5125 -3875 7125 40125 72125 9125 36125 138125 42125 -2875 112125 -15875 52125 540125 5125 13125 38125 35125 -10875 25125 41125 1125 51125 2967125 6433125 843125 -19875 415125 360125 47125 21125 -17875 14125 -10875 51125 522125 699125 854125 LPE 18:0 19343 30901 5538 6060 4462 5375 6160 5221 7283 5092 5238 5256 8534 5077 5610 7525 7247 4910 4881 6369 8559 5497 5074 10513 9571 9953 9021 5324 7426 10266 4978 6004 5312 6883 6035 6724 9372 13254 6209 5950 5531 5404 9250 4650 5670 5105 4177 4783 3405 5002 6019 8116 7097 8588 7612 6558 8167 6189 8492 11491 8928 6251 7479 6358 5588 11577 9600 6143 6300 5873 7306 11434 7949 7284 9716 6506 9440 7991 4981 4885 4959 9925 9618 6898 8328 3941 4979 4348 6537 6289 5515 7645 4463 2432 2704 8958 27382 5154 8119 6614 6604 8475 7840 5211 4464 5036 5196 2862 5772 5267 4522 7240 8358 7872 4524 5104 9427 6682 9326 16767 5467 4329 7317 5687 7666 4812 4608 3888 4510 7701 5589 4860 6145 7828 5143 5051 5250 3570 3837 3437 5124 6672 5071 7085 4117 3790 6299 17625 28953 5449 -7 4965 5588 8133 7822 2764 10729 4844 8128 5625 5421 7537 LPI 20:4 625 1012 163 224 112 102 163 225 252 346 236 271 253 183 183 211 347 122 98 158 260 258 313 306 142 176 181 184 241 358 120 167 66 292 234 214 266 98 159 163 160 176 322 137 166 216 183 266 260 203 214 298 291 275 371 330 356 128 215 248 292 261 227 302 173 89 213 109 235 142 179 361 250 267 170 242 170 76 216 144 152 228 197 260 152 134 154 125 156 177 138 287 223 225 264 241 1523 214 391 193 135 243 110 147 175 152 217 285 92 172 149 269 183 225 163 135 149 368 528 894 244 235 254 245 150 163 286 267 295 173 194 180 293 301 274 241 273 227 270 288 215 90 149 252 184 159 131 643 1151 155 0 369 425 265 227 322 394 595 157 134 106 83 Palmitoleic acid 4755525 7665425 2472125 580925 1434925 1687925 1135225 3320025 1433925 1814925 1861225 1869825 674325 2545825 1212325 328525 520025 4861525 5677125 820525 5492125 1883025 928825 1227725 987025 915725 414125 1684825 2133625 2761825 1284025 2897825 4851825 369125 376225 401925 496925 1096925 1010925 1596625 6534425 5155625 4247325 1451525 1674625 2282025 409125 909725 1075225 564825 3938925 623225 2419625 9041525 1182325 1358525 437725 1796325 2358425 3097825 610025 2007625 2280325 883625 1119725 290625 2713025 2680325 2441125 1713625 2309025 2901425 1695925 2487125 1303125 1014625 2039525 482825 977125 3142225 7747625 457725 1128825 4299925 1004525 1352725 1551825 2872125 2685125 875125 201725 1292125 1006925 4448725 1467025 1430125 7104125 2209025 4752325 1695625 1182125 843925 545025 590625 868625 2857925 2966125 5508925 2333125 1693425 1594325 1596525 803925 1227425 188025 215825 1289025 2028825 2607225 4214325 2084925 1621525 996925 1093025 402525 3067125 583925 9938425 1624525 255025 589025 1213225 5083625 1392425 7124425 2006625 2094925 1169325 293625 2109625 6045125 950625 1464825 1011425 5910225 1162825 661625 4435125 7336225 2387425 -202375 1737825 1767725 2357425 429825 5073625 2962125 1404325 390625 563925 1559925 1745525 Lauric acid 7822625 14154625 1038625 808625 2155625 1573625 1216625 1069625 185625 599625 598625 557625 561625 1365625 363625 127625 827625 3819625 2070625 667625 1896625 2279625 449625 542625 356625 628625 524625 1986625 2447625 3925625 378625 2461625 2255625 470625 241625 463625 617625 327625 895625 1359625 2507625 2131625 372625 1384625 1693625 483625 299625 759625 548625 342625 2658625 242625 717625 2786625 491625 376625 358625 2074625 2918625 4818625 1322625 708625 2435625 842625 2277625 997625 1660625 953625 1404625 2136625 3071625 4039625 655625 793625 11522625 1465625 1826625 375625 672625 999625 1592625 251625 420625 1302625 239625 996625 1463625 1794625 534625 351625 247625 1212625 903625 516625 71625 415625 13288625 611625 1239625 296625 1689625 965625 522625 49625 361625 971625 773625 1566625 747625 5616625 479625 1312625 991625 1300625 532625 -22375 149625 2174625 3624625 7240625 1270625 587625 5246625 659625 485625 1709625 246625 797625 1086625 37625 1186625 1524625 2665625 560625 1301625 564625 615625 859625 520625 540625 794625 1465625 988625 513625 3472625 277625 271625 7345625 12937625 827625 -633375 400625 407625 1486625 540625 1387625 880625 291625 610625 907625 1287625 1266625 Arachidonic acid 52233875 82395875 20771875 17842875 15606875 17792875 22194875 28170875 22925875 15731875 16016875 15967875 11796875 28638875 28616875 20213875 21611875 31604875 31888875 15122875 33226875 24346875 32454875 31227875 13709875 10746875 24012875 18356875 22490875 31739875 12826875 20990875 16643875 23753875 17918875 17408875 11057875 18707875 16520875 40903875 34729875 28482875 48993875 15900875 18485875 21736875 18782875 23403875 19920875 18926875 23590875 17620875 17502875 34837875 16986875 18067875 14263875 20197875 25473875 34022875 40396875 25063875 41047875 20608875 23596875 17096875 36284875 21393875 21298875 19250875 24196875 31937875 23810875 23673875 23626875 24387875 35735875 12368875 27263875 15135875 27576875 19715875 19607875 33567875 18222875 14701875 17119875 20472875 31983875 21035875 25699875 33211875 25955875 24486875 21904875 45069875 79374875 18898875 37807875 20873875 32639875 36729875 29304875 18112875 36447875 34822875 22993875 33759875 23479875 36678875 17132875 18582875 10808875 45079875 10505875 13435875 16243875 20935875 29580875 47714875 27885875 14496875 29343875 12785875 13434875 24243875 21698875 39155875 23563875 19974875 24197875 22501875 35308875 21223875 51728875 17313875 17939875 12183875 13395875 20656875 38608875 25008875 13977875 14154875 40543875 16253875 24258875 50256875 82825875 20247875 316875 15530875 15490875 39668875 18037875 34473875 25025875 17784875 38153875 19898875 19545875 17221875 Oleic acid 596837125 860125125 268164125 170457125 185831125 216172125 243657125 409130125 226790125 263741125 267316125 258360125 127968125 322280125 151820125 81094125 91933125 510518125 499938125 92297125 587227125 298489125 155849125 137612125 142753125 161258125 67965125 233937125 292225125 384079125 225419125 366595125 456443125 78514125 111627125 87415125 81133125 214328125 232697125 230764125 496120125 474003125 392521125 180012125 217952125 250207125 132493125 182567125 257213125 196020125 423897125 87636125 331430125 635544125 219314125 276385125 71114125 233908125 300489125 395398125 162598125 435032125 406886125 199228125 187058125 61124125 292049125 300584125 276051125 238457125 293873125 397780125 236934125 370265125 391407125 286073125 217018125 63614125 166707125 271800125 493992125 115159125 182586125 513153125 133719125 182703125 213328125 374717125 206962125 116195125 58299125 359370125 213180125 421957125 154711125 84424125 930705125 272893125 582679125 241420125 228085125 251239125 121289125 157091125 150390125 449999125 394160125 580940125 275852125 300116125 279107125 259474125 121484125 158516125 61575125 119244125 176967125 297850125 401507125 616400125 317834125 320861125 190267125 154967125 84214125 274561125 139046125 573497125 235170125 67736125 183714125 294510125 484729125 209664125 696052125 272711125 272620125 178408125 68475125 248137125 572003125 172454125 290305125 152486125 673383125 189248125 137208125 590181125 871576125 266173125 -11429875 252353125 254206125 384131125 166237125 433147125 413237125 255254125 79355125 122252125 257026125 184982125 Bilirubin 975 1122 283 272 282 395 802 987 967 1095 703 659 455 654 859 402 1050 166 670 569 172 418 733 366 624 708 638 382 394 582 210 591 351 344 1339 1048 505 256 379 242 1195 747 367 263 332 405 722 538 813 936 450 825 834 141 454 394 426 322 429 576 452 567 611 409 826 1423 121 919 366 257 400 555 2560 1867 222 534 276 668 703 323 621 173 322 814 736 365 327 206 190 675 1041 321 894 366 367 227 1698 416 234 2395 2647 2151 1228 1559 1751 400 513 1426 180 172 739 356 473 600 964 498 548 739 787 1328 1343 357 465 378 289 239 1190 351 993 1102 557 153 627 787 428 536 577 510 1704 1587 830 478 491 351 355 1313 1369 772 1251 230 0 1421 1145 537 485 931 534 1026 690 241 455 601 Oleamide 3201125 7884125 -1040875 -927875 -920875 -626875 -897875 -1022875 -1121875 -148875 -259875 -63875 -853875 -1088875 -1128875 -1094875 -739875 -965875 -574875 -1061875 -810875 -938875 -799875 -847875 -1092875 -907875 -843875 -1014875 -271875 1041125 -894875 -1121875 -944875 -556875 -741875 -779875 -820875 -835875 -985875 -1088875 -1058875 -739875 -1060875 -775875 -465875 -890875 -1116875 -1076875 -879875 -913875 -1132875 -785875 -828875 -1229875 -1020875 -1012875 -1116875 -809875 -216875 949125 -1073875 -933875 -839875 -970875 -1036875 -1078875 -912875 -974875 -1101875 -781875 -93875 943125 -703875 -655875 -948875 -980875 -1434875 -1224875 -1027875 -976875 -1031875 -920875 -1156875 -1027875 -1064875 -1241875 -727875 -1035875 -1023875 -1199875 -1040875 -1131875 -964875 -876875 -1050875 -1134875 8876125 -602875 -832875 -1191875 -606875 -866875 -980875 -994875 -1346875 -1026875 -790875 -1204875 -1092875 -976875 -1249875 -908875 -857875 -1112875 -945875 -876875 -1141875 308125 2027125 3940125 -887875 -1057875 -690875 -834875 -1199875 -1092875 -784875 -354875 -1127875 -1172875 -1006875 -811875 -913875 -937875 -1157875 -568875 -669875 -720875 -708875 -955875 -1126875 -887875 -861875 -941875 -1062875 -1149875 -922875 3425125 7311125 -894875 -200875 -103875 -69875 -978875 -999875 -942875 -806875 -740875 -637875 -906875 -969875 -930875 Lactic acid 144296375 196952375 22648375 44890375 72902375 76969375 41084375 35616375 40265375 29458375 28658375 28394375 56917375 38359375 41062375 84666375 86757375 29824375 55423375 55639375 25985375 57454375 61854375 56122375 50211375 68792375 59164375 75588375 83536375 102666375 105883375 42164375 36635375 29018375 22656375 49464375 56053375 96568375 48681375 62190375 67933375 51446375 40614375 78088375 84438375 31957375 49394375 42285375 24356375 42045375 39817375 35758375 40553375 28035375 52576375 64938375 117413375 87036375 98383375 118628375 33485375 18664375 36151375 51494375 47133375 40895375 73680375 54017375 70243375 81164375 90505375 108428375 64419375 69079375 24742375 78296375 51962375 35276375 48331375 29393375 52449375 64187375 61054375 31648375 86751375 67908375 71785375 38260375 36257375 22533375 59957375 71551375 69056375 34269375 41822375 68418375 175842375 26099375 85978375 21806375 57917375 54790375 34094375 24260375 31428375 28722375 26737375 62364375 41894375 69816375 52048375 45735375 41710375 48145375 31450375 72309375 75623375 89430375 105153375 132268375 41380375 30450375 73156375 55827375 40797375 32782375 74721375 39843375 70333375 41953375 49337375 28316375 43978375 64237375 48848375 29324375 29559375 77036375 47164375 57656375 24271375 32132375 47902375 47280375 71072375 63036375 52206375 134591375 184301375 22604375 -232625 26796375 28802375 28749375 36802375 25287375 66292375 52621375 51336375 59422375 33408375 30757375 Pyruvic acid 1472 2369 716 511 597 676 700 549 572 1631 1590 1543 981 569 612 1778 1973 759 683 633 518 743 607 1276 1162 1059 942 723 795 1003 1353 453 522 673 645 898 918 1580 1044 511 1146 974 827 662 650 1215 1273 1096 440 881 951 778 1259 636 1296 1200 1861 672 803 1019 616 451 673 1209 1206 695 491 1662 1195 733 792 1013 924 925 632 1704 356 863 598 558 679 926 759 646 1417 648 669 566 265 297 969 1341 1451 504 906 411 3292 1113 2012 524 1007 1051 509 454 411 755 620 981 438 433 1222 933 1310 570 715 828 1236 1169 1484 2097 903 497 1007 1538 1038 892 1661 658 1024 979 1076 724 757 1323 952 1409 1383 1026 1623 804 691 720 896 1325 1438 637 828 1483 2452 731 0 1727 1662 515 1198 638 2700 1573 399 848 476 560 Sphingosine d7 947074 988434 1015364 936819 905407 950256 961481 1020198 971623 800113 795881 791000 913838 916830 866244 905149 918133 892010 938320 906270 916063 891600 885090 884487 962788 982468 1001038 948519 883380 916385 959080 924153 973027 833473 816027 843302 1199799 945502 952152 917754 970024 949447 949391 953398 903466 906309 916952 842021 886675 915519 942389 877455 854765 872882 950052 955743 962796 936346 958972 913631 962281 952964 930748 943825 955100 930817 902403 909961 915137 982559 977769 970155 849269 891862 878319 919851 889515 900934 913161 1007672 989609 839624 835782 833692 894156 936848 880536 917843 906355 895566 896161 887545 942804 945967 925674 901315 820291 823435 820595 947339 948226 955861 916080 912582 912984 826592 818985 827136 898639 935287 913800 934635 991288 925752 963461 978551 984916 823955 807827 829738 877585 961594 889125 928561 954724 965443 870027 937431 923214 840092 852014 841196 886364 846743 857238 800669 804845 805892 832764 830050 839692 907227 942124 960911 925373 922718 876726 900430 921075 914816 787868 780078 808223 836186 838045 822331 820750 828611 824834 943716 948199 918679 LPC 18:1 d7 180894 191120 195740 179140 178781 179438 172214 185373 177292 156321 158121 147885 180792 177171 167647 178252 177344 174119 170042 169794 167079 170703 170224 171427 188006 187081 190748 182934 173831 176425 180753 174288 179008 164148 160892 161471 227681 178099 174149 171359 181489 173632 171309 179825 156956 177691 176990 162124 174669 176139 182703 176592 168682 170722 186552 184214 188164 177080 174846 166732 189487 186147 186305 184703 188201 183328 161278 168840 171927 192251 197332 188058 171968 175484 175107 176846 170350 172722 170808 185269 186653 166148 168065 160402 173019 180539 168772 168530 167155 165186 172332 169972 180446 187767 186463 177225 163057 162407 158180 173895 175345 173214 176980 173779 179143 160706 162777 160253 166247 172880 170256 171628 191090 181477 189384 191220 186688 160284 156157 164588 170801 194523 175428 179126 186439 188861 172958 184143 183322 164107 164478 164571 173965 170845 166869 160111 156581 159751 163391 165488 160775 177970 179644 193129 168258 169400 165731 173112 176720 185492 151561 148741 155942 166227 157849 161982 157271 160530 155634 171776 173840 172715 Palmitic acid d31 30951 30575 32235 31278 30739 31670 34885 36772 34115 30646 31354 29790 30278 30915 28210 31673 31436 28974 35418 32169 33954 31146 28058 29339 31798 33526 31653 30715 29869 30965 35221 34030 34359 30652 28599 29696 43044 35620 33341 33990 35223 35767 33749 34894 32266 30252 31482 29021 30149 30834 31294 30144 28848 29652 30333 32475 30797 33463 35929 31640 33053 32899 31946 33321 33712 32188 33013 35006 33620 31750 32310 30786 31837 31890 31022 30591 29771 30547 33486 38068 36934 30248 30453 29737 29401 32028 29216 33904 33433 33091 30639 30596 31348 32811 31435 30587 30231 31562 30725 35475 36446 34907 31212 31554 31377 29970 30004 29733 34036 34129 33616 31320 33112 31738 32359 32525 32720 30536 31514 31203 30324 33440 30941 30545 33122 33841 30457 32427 32719 30478 31625 30290 30797 30812 30587 31011 31261 31128 30671 29839 31338 29781 32437 32073 32929 34739 32582 29564 31487 30590 28357 28261 29709 31122 30394 29399 30986 29952 29594 34953 36000 34056 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ID Sphingosine 5280335 Sphingosine-1-Phosphate 5283560 LPC 14:0 460604 LPC 16:0 460602 LPC 17:0 24779463 LPC 17:1 42607442 LPC 18:0 497299 LPC 18:1 24779492/24779493/24779494/24779465 LPC 19:0 24779472 LPE 18:0 53480667 LPI 20:4 138124432 Palmitoleic acid 445638 Lauric acid 3893 Arachidonic acid 444899 Oleic acid 445639 Bilirubin 5280352 Oleamide 5283387 Lactic acid 612 Pyruvic acid 1060 Sphingosine d7 129856538 LPC 18:1 d7 164484290 Palmitic acid d31 16212358 METABOLITES_END #END