#METABOLOMICS WORKBENCH Naviaux_lab_20210503_101600 DATATRACK_ID:2614 STUDY_ID:ST001780 ANALYSIS_ID:AN002891 PROJECT_ID:PR001133 VERSION 1 CREATED_ON May 10, 2021, 10:01 am #PROJECT PR:PROJECT_TITLE Metabolomic changes of cerebrospinal fluid in response to endurance exercise PR:PROJECT_SUMMARY Metabolomics has emerged as a powerful new tool in precision medicine for PR:PROJECT_SUMMARY gaining mechanistic insight into health and disease. The objective of this PR:PROJECT_SUMMARY project was to investigate the metabolomic changes in cerebrospinal fluid (CSF) PR:PROJECT_SUMMARY in response to endurance exercise. Young adult volunteers were enrolled, and the PR:PROJECT_SUMMARY participants completed a monitored outdoor 90-minute run. CSF samples were PR:PROJECT_SUMMARY collected during rest (Pre), and 60 minutes after the run (Post). Broad-spectrum PR:PROJECT_SUMMARY targeted metabolomics was conducted using the liquid chromatography coupled with PR:PROJECT_SUMMARY tandem mass spectrometry (LC-MS/MS). This study provided insights into the PR:PROJECT_SUMMARY neuroprotective and mental health benefits of endurance exercise. PR:INSTITUTE UCSD School of Medicine PR:LAST_NAME Naviaux PR:FIRST_NAME Robert PR:ADDRESS 214 Dickinson St., Room C-107, San Diego, CA, 92103, USA PR:EMAIL rnaviaux@health.ucsd.edu PR:PHONE 619-543-2904 #STUDY ST:STUDY_TITLE Comparative analysis of metabolomic profiles in cerebrospinal fluid before and ST:STUDY_TITLE after endurance exercise ST:STUDY_SUMMARY This study compared the metabolomic differences in the cerebrospinal fluid of ST:STUDY_SUMMARY young adult volunteers between before (Pre), and 60 minutes after the 90-min run ST:STUDY_SUMMARY (Post). ST:INSTITUTE UCSD School of Medicine ST:LAST_NAME Naviaux ST:FIRST_NAME Robert ST:ADDRESS 214 Dickinson St., Room C-107, San Diego, CA, 92103, USA ST:EMAIL rnaviaux@health.ucsd.edu ST:PHONE 619-543-2904 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 19 ST:NUM_MALES 13 ST:NUM_FEMALES 6 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 25(IQR 22-31) SU:GENDER Male and female SU:HUMAN_RACE European SU:HUMAN_MEDICATIONS None SU:HUMAN_PRESCRIPTION_OTC None SU:HUMAN_SMOKING_STATUS None SU:HUMAN_ALCOHOL_DRUG_USE None #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 LP11 LP11_pre_CSF_F Group:Pre SUBJECT_SAMPLE_FACTORS LP15 LP15_pre_CSF_F Group:Pre SUBJECT_SAMPLE_FACTORS LP19 LP19_pre_CSF_F Group:Pre SUBJECT_SAMPLE_FACTORS LP20 LP20_pre_CSF_F Group:Pre SUBJECT_SAMPLE_FACTORS LP23 LP23_pre_CSF_F Group:Pre SUBJECT_SAMPLE_FACTORS LP30 LP30_pre_CSF_F Group:Pre SUBJECT_SAMPLE_FACTORS LP14 LP14_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP16 LP16_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP18 LP18_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP21 LP21_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP22 LP22_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP24 LP24_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP25 LP25_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP26 LP26_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP27 LP27_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP28 LP28_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP29 LP29_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP31 LP31_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP32 LP32_pre_CSF_M Group:Pre SUBJECT_SAMPLE_FACTORS LP11 LP11_post_CSF_F Group:Post SUBJECT_SAMPLE_FACTORS LP15 LP15_post_CSF_F Group:Post SUBJECT_SAMPLE_FACTORS LP19 LP19_post_CSF_F Group:Post SUBJECT_SAMPLE_FACTORS LP20 LP20_post_CSF_F Group:Post SUBJECT_SAMPLE_FACTORS LP23 LP23_post_CSF_F Group:Post SUBJECT_SAMPLE_FACTORS LP30 LP30_post_CSF_F Group:Post SUBJECT_SAMPLE_FACTORS LP14 LP14_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP16 LP16_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP18 LP18_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP21 LP21_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP22 LP22_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP24 LP24_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP25 LP25_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP26 LP26_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP27 LP27_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP28 LP28_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP29 LP29_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP31 LP31_post_CSF_M Group:Post SUBJECT_SAMPLE_FACTORS LP32 LP32_post_CSF_M Group:Post #COLLECTION CO:COLLECTION_SUMMARY Measurements and samples were collected on two days separated by 4 weeks. CO:COLLECTION_SUMMARY Samples were drawn at the same time on the two experimental days to control for CO:COLLECTION_SUMMARY circadian rhythms. A baseline cerebrospinal fluid (CSF) sample (Pre) was CO:COLLECTION_SUMMARY collected. Participants were given a banana (~100g) then completed a 90-minute CO:COLLECTION_SUMMARY outdoor run at local time 09:00 to 10:30 am. After 60 minutes of recovery (1130 CO:COLLECTION_SUMMARY am local time), a post-run CSF sample was collected (Post). CO:SAMPLE_TYPE CSF CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Participants were given a banana (~100 g) then completed a 90-minute outdoor run TR:TREATMENT_SUMMARY at local time 09:00 to 10:30 am, maintaining an effort of 75% -80% of their TR:TREATMENT_SUMMARY heart rate. A baseline cerebrospinal fluid sample (CSF) (Pre) was collected TR:TREATMENT_SUMMARY before the run. After 60 minutes of recovery (1130 am local time), a post-run TR:TREATMENT_SUMMARY CSF sample was collected (Post). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The cerebrospinal fluid samples (90 µl) were mixed with 5 µl of commercial SP:SAMPLEPREP_SUMMARY internal standards and 5 µl of custom-synthesized 13C labeled standards and SP:SAMPLEPREP_SUMMARY then incubated for 10 min at room temperature to permit small molecules and SP:SAMPLEPREP_SUMMARY vitamins in the internal standards to associate with binding proteins. The SP:SAMPLEPREP_SUMMARY metabolites were extracted with 400 µl of cold (-20 °C) methanol: acetonitrile SP:SAMPLEPREP_SUMMARY (50:50, v/v), yielding a final concentration of methanol: acetonitrile: water SP:SAMPLEPREP_SUMMARY (40:40:20, v/v/v). The samples were then vortexed vigorously, incubated on SP:SAMPLEPREP_SUMMARY crushed ice for 10 min, and then centrifuged at 16,000 g for 10 min at 4 °C. SP:SAMPLEPREP_SUMMARY The supernatants containing the extracted metabolites and internal standards SP:SAMPLEPREP_SUMMARY were transferred to labeled cryotubes and stored at -80 °C prior to LC-MS/MS. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACT_CLEANUP None SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION None SP:SAMPLE_DERIVATIZATION None #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Ten µL of the extract was injected into the column through a CTC PAL CH:CHROMATOGRAPHY_SUMMARY autosampler. The samples were separated in the RP model using a Raptor Biphenyl CH:CHROMATOGRAPHY_SUMMARY column (150 × 2.1 mm, 2.7 µm) (Restek, PA). The LC conditions were as follows: CH:CHROMATOGRAPHY_SUMMARY Mobile phase A: 90% H2O with 0.1% formic acid and 10% MEOH, pH 4.0. Mobile phase CH:CHROMATOGRAPHY_SUMMARY B: MEOH-IPA (50:50, v/v) with 0.1% formic acid. The gradient was: 0 - 2 min 10% CH:CHROMATOGRAPHY_SUMMARY B, 2.1 - 4 min 40% B, 4 -12 min, linear ramping up to 100% B, 12 – 18 min 100% CH:CHROMATOGRAPHY_SUMMARY B, 19 - 24 min 10% B, 24.1 min stop. The flow rate was 250 µL/min, and the CH:CHROMATOGRAPHY_SUMMARY column temperature was controlled at 40 ºC. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Raptor Biphenyl column (150 × 2.1 mm, 2.7 µm) CH:FLOW_GRADIENT Constant CH:FLOW_RATE 250 µL/min CH:COLUMN_TEMPERATURE 40 CH:SOLVENT_A 90% H2O with 0.1% formic acid and 10% MEOH, pH 4.0 CH:SOLVENT_B MEOH-IPA (50:50, v/v) with 0.1% formic acid CH:COLUMN_PRESSURE 2800 psi - 4200 psi CH:INJECTION_TEMPERATURE 4 CH:SAMPLE_INJECTION 10 uL CH:ANALYTICAL_TIME 25 min CH:OVEN_TEMPERATURE 40 CH:SAMPLE_LOOP_SIZE 10 CH:SAMPLE_SYRINGE_SIZE 100 #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME The Naviaux Lab AN:SOFTWARE_VERSION Analyst 1.6.2 AN:DATA_FORMAT .wiff #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The MS/MS detection was performed using electrospray ionization (ESI) on both MS:MS_COMMENTS positive and negative modes. The MS/MS detection was performed using MS:MS_COMMENTS electrospray ionization (ESI) on both positive and negative modes. Advanced MS:MS_COMMENTS scheduled multiple reaction monitoring (MRM) with dynamic windowing and fast MS:MS_COMMENTS polarity switch were used. The ESI source conditions were set as follows: MS:MS_COMMENTS electrospray voltage of -4500 V for negative mode and 5500 V for positive mode, MS:MS_COMMENTS source temperature of 500 °C, curtain gas of 30, ion source gas 1, and gas 2 of MS:MS_COMMENTS 35 psi, respectively. MS:COLLISION_ENERGY Compound-dependent MS:COLLISION_GAS Medium MS:ION_SOURCE_TEMPERATURE 500 MS:ION_SPRAY_VOLTAGE -4500 V for negative and 5500 V for positive MS:IONIZATION ESI MS:MASS_ACCURACY 0.1 Da MS:SOURCE_TEMPERATURE 500 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples LP11_pre_CSF_F LP15_pre_CSF_F LP19_pre_CSF_F LP20_pre_CSF_F LP23_pre_CSF_F LP30_pre_CSF_F LP14_pre_CSF_M LP16_pre_CSF_M LP18_pre_CSF_M LP21_pre_CSF_M LP22_pre_CSF_M LP24_pre_CSF_M LP25_pre_CSF_M LP26_pre_CSF_M LP27_pre_CSF_M LP28_pre_CSF_M LP29_pre_CSF_M LP31_pre_CSF_M LP32_pre_CSF_M LP11_post_CSF_F LP15_post_CSF_F LP19_post_CSF_F LP20_post_CSF_F LP23_post_CSF_F LP30_post_CSF_F LP14_post_CSF_M LP16_post_CSF_M LP18_post_CSF_M LP21_post_CSF_M LP22_post_CSF_M LP24_post_CSF_M LP25_post_CSF_M LP26_post_CSF_M LP27_post_CSF_M LP28_post_CSF_M LP29_post_CSF_M LP31_post_CSF_M LP32_post_CSF_M Factors Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Pre Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post Group:Post DeoxyCer(m18:1/16:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxyCer(m18:1/18:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxyCer(m18:1/20:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxyCer(m18:1/22:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxyCer(m18:1/24:0) 4.46E+03 5.81E+03 2.01E+03 3.48E+03 2.59E+03 6.20E+02 7.28E+03 3.25E+03 9.64E+03 1.01E+04 6.83E+03 1.55E+04 2.46E+03 5.62E+03 1.52E+04 5.48E+03 8.65E+03 8.76E+03 8.67E+03 2.12E+03 3.20E+03 1.33E+04 3.03E+03 3.68E+03 4.76E+03 9.12E+03 1.36E+03 5.74E+03 5.23E+03 7.14E+03 9.79E+03 2.91E+03 9.86E+03 1.35E+04 1.78E+04 7.78E+03 6.17E+03 6.73E+03 DeoxyCer(m18:1/24:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxyCer(m18:1/26:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxyCer(m18:1/26:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxydihydroCer(m18:0/16:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxydihydroCer(m18:0/18:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxydihydroCer(m18:0/20:0) 2.03E+04 9.03E+03 1.83E+04 4.65E+04 3.74E+04 2.45E+04 8.28E+03 1.45E+04 1.45E+04 3.66E+04 3.48E+04 1.98E+04 3.34E+04 1.62E+04 1.91E+04 2.90E+04 9.10E+03 2.11E+04 4.12E+04 1.13E+04 1.17E+04 1.77E+04 5.00E+04 3.88E+04 3.84E+04 1.06E+04 1.46E+04 2.11E+04 3.76E+04 3.00E+04 2.16E+04 2.80E+04 3.63E+04 5.33E+04 3.03E+04 1.83E+04 1.68E+04 3.37E+04 DeoxydihydroCer(m18:0/22:0) 7.59E+04 6.21E+04 3.77E+04 3.05E+05 2.37E+05 1.27E+05 2.94E+04 1.07E+05 6.21E+04 2.68E+05 2.63E+05 7.66E+04 1.63E+05 6.29E+04 5.19E+04 1.85E+05 4.01E+04 1.16E+05 2.17E+05 3.43E+04 3.59E+04 4.18E+04 2.34E+05 1.04E+05 1.71E+05 1.82E+04 6.38E+04 6.49E+04 2.91E+05 1.50E+05 7.48E+04 9.84E+04 2.38E+05 2.32E+05 2.27E+05 6.77E+04 1.67E+05 1.85E+05 DeoxydihydroCer(m18:0/24:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxydihydroCer(m18:0/24:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxydihydroCer(m18:0/26:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DeoxydihydroCer(m18:0/26:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD2(d18:1/16:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD2(d18:1/18:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD2(d18:1/18:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD2(d18:1/19:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD2(d18:1/20:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD2(d18:1/21:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD2(d18:1/22:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/14:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/15:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/16:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/16:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/17:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/18:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/18:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/19:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/20:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/21:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/22:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/23:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/24:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GD3(d18:1/25:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM2(d18:1/16:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM2(d18:1/16:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM2(d18:1/18:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM2(d18:1/20:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM3(d18:1/16:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM3(d18:1/16:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM3(d18:1/18:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM3(d18:1/18:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM3(d18:1/20:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM3(d18:1/22:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM3(d18:1/24:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GM3(d18:1/24:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/12:0) 1.53E+05 1.98E+05 1.56E+05 9.56E+04 1.41E+05 1.48E+05 1.10E+05 1.07E+05 1.37E+05 8.70E+04 1.49E+05 1.61E+05 8.90E+04 7.07E+04 1.89E+05 9.05E+04 1.31E+05 1.17E+05 8.20E+04 1.02E+05 2.02E+05 1.45E+05 8.44E+04 1.34E+05 1.29E+05 1.07E+05 8.96E+04 1.27E+05 1.04E+05 1.61E+05 2.20E+05 7.72E+04 8.35E+04 1.61E+05 9.78E+04 2.19E+05 8.42E+04 8.60E+04 SM(d18:1/16:0 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/16:0) 1.90E+05 1.28E+05 1.21E+05 7.20E+04 1.53E+05 1.49E+05 1.24E+05 2.15E+05 1.78E+05 7.17E+04 1.03E+05 1.96E+05 9.24E+04 1.62E+05 1.59E+05 1.40E+05 1.99E+05 1.18E+05 1.61E+05 1.16E+05 1.12E+05 1.38E+05 8.38E+04 1.01E+05 2.23E+05 1.59E+05 1.12E+05 1.42E+05 1.52E+05 1.33E+05 1.83E+05 1.15E+05 1.32E+05 1.82E+05 1.26E+05 2.00E+05 1.54E+05 1.06E+05 SM(d18:1/16:1 OH) 2.57E+05 2.54E+05 2.42E+05 1.71E+05 2.20E+05 2.66E+05 3.61E+05 3.06E+05 2.69E+05 2.05E+05 2.56E+05 3.80E+05 2.19E+05 3.97E+05 2.31E+05 2.95E+05 3.38E+05 2.69E+05 2.98E+05 1.65E+05 1.98E+05 2.78E+05 2.22E+05 1.67E+05 2.76E+05 3.12E+05 1.64E+05 2.16E+05 2.19E+05 1.92E+05 4.58E+05 2.64E+05 2.18E+05 4.26E+05 2.29E+05 2.79E+05 3.41E+05 2.56E+05 SM(d18:1/16:1) 3.88E+04 3.96E+04 3.80E+04 2.17E+04 2.34E+04 3.16E+04 5.28E+04 5.30E+04 4.77E+04 3.16E+04 3.35E+04 4.00E+04 2.76E+04 3.86E+04 3.59E+04 4.23E+04 5.97E+04 4.77E+04 3.68E+04 2.90E+04 3.24E+04 4.21E+04 2.53E+04 3.25E+04 3.41E+04 4.79E+04 3.60E+04 3.84E+04 2.82E+04 2.82E+04 4.36E+04 2.86E+04 3.17E+04 3.46E+04 2.81E+04 4.15E+04 3.59E+04 3.64E+04 SM(d18:1/16:2 OH) 3.40E+05 2.59E+05 2.40E+05 1.41E+05 2.47E+05 2.50E+05 3.55E+05 3.04E+05 3.02E+05 1.64E+05 2.04E+05 2.67E+05 1.76E+05 2.52E+05 2.50E+05 2.82E+05 2.93E+05 2.54E+05 2.20E+05 2.06E+05 2.79E+05 2.40E+05 1.82E+05 2.13E+05 2.53E+05 3.25E+05 1.82E+05 2.45E+05 1.56E+05 1.83E+05 3.12E+05 1.79E+05 2.28E+05 3.07E+05 2.14E+05 3.19E+05 2.94E+05 1.57E+05 SM(d18:1/16:2) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/18:0 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/18:0) 1.59E+05 1.62E+05 9.91E+04 1.22E+05 2.25E+05 1.47E+05 1.80E+05 1.01E+05 1.74E+05 1.68E+05 2.52E+05 2.01E+05 1.55E+05 1.31E+05 2.52E+05 2.31E+05 1.11E+05 2.11E+05 9.69E+04 1.54E+05 2.19E+05 9.92E+04 1.76E+05 2.21E+05 1.75E+05 2.28E+05 8.43E+04 1.93E+05 2.35E+05 2.79E+05 2.93E+05 1.65E+05 2.03E+05 2.73E+05 2.35E+05 3.52E+05 1.42E+05 1.51E+05 SM(d18:1/18:1 OH) 1.81E+05 1.52E+05 1.20E+05 1.19E+05 1.45E+05 1.32E+05 1.24E+05 1.39E+05 1.74E+05 1.45E+05 1.88E+05 3.39E+05 1.95E+05 1.28E+05 3.07E+05 1.63E+05 1.37E+05 1.50E+05 1.28E+05 1.19E+05 1.10E+05 9.56E+04 1.27E+05 1.48E+05 1.66E+05 1.76E+05 6.86E+04 1.33E+05 1.77E+05 2.08E+05 3.89E+05 1.41E+05 1.57E+05 3.19E+05 2.04E+05 2.83E+05 1.45E+05 1.41E+05 SM(d18:1/18:1) 8.05E+04 1.06E+05 7.56E+04 6.98E+04 1.40E+05 6.05E+04 1.09E+05 7.58E+04 1.18E+05 1.05E+05 1.74E+05 1.54E+05 7.41E+04 6.66E+04 1.47E+05 1.21E+05 9.83E+04 1.12E+05 6.91E+04 1.01E+05 1.27E+05 7.09E+04 7.88E+04 1.31E+05 9.08E+04 1.43E+05 7.14E+04 1.10E+05 1.30E+05 1.45E+05 1.83E+05 7.85E+04 1.01E+05 1.84E+05 1.15E+05 1.30E+05 8.51E+04 8.99E+04 SM(d18:1/18:2 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/18:2) 2.25E+04 5.83E+04 2.92E+04 1.29E+04 3.83E+04 3.71E+04 2.25E+04 2.89E+04 4.07E+04 3.58E+04 3.65E+04 3.98E+04 1.26E+04 2.87E+04 5.32E+04 3.60E+04 6.52E+04 3.77E+04 2.58E+04 2.40E+04 3.53E+04 2.61E+04 2.68E+04 3.10E+04 3.45E+04 3.99E+04 1.80E+04 2.37E+04 2.49E+04 3.61E+04 1.02E+05 2.24E+04 2.94E+04 5.80E+04 3.51E+04 6.16E+04 3.41E+04 2.52E+04 SM(d18:1/20:0 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/20:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/20:1 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/20:1) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/20:2 OH) 5.80E+04 6.37E+04 6.78E+04 3.59E+04 2.88E+04 5.85E+04 4.38E+04 5.62E+04 9.32E+04 6.07E+04 6.16E+04 1.63E+05 5.14E+04 3.70E+04 8.02E+04 6.11E+04 7.46E+04 4.08E+04 3.74E+04 3.78E+04 5.37E+04 5.99E+04 4.70E+04 3.56E+04 4.88E+04 6.06E+04 2.02E+04 6.02E+04 4.99E+04 4.69E+04 1.32E+05 3.01E+04 4.36E+04 8.12E+04 4.37E+04 9.85E+04 3.39E+04 3.95E+04 SM(d18:1/20:2) 6.07E+04 4.35E+04 5.30E+04 5.30E+04 6.11E+04 6.10E+04 6.16E+04 6.08E+04 5.83E+04 7.19E+04 8.29E+04 7.55E+04 5.49E+04 8.59E+04 5.41E+04 8.37E+04 8.92E+04 7.44E+04 7.07E+04 4.09E+04 3.26E+04 4.25E+04 5.42E+04 7.10E+04 7.00E+04 6.67E+04 5.22E+04 4.63E+04 4.52E+04 4.28E+04 7.27E+04 6.40E+04 6.00E+04 5.61E+04 6.21E+04 6.32E+04 6.08E+04 6.93E+04 SM(d18:1/22:0 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/22:0) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/22:1) 4.39E+04 4.89E+04 4.99E+04 3.55E+04 3.05E+04 5.69E+04 4.20E+04 2.77E+04 2.93E+04 5.46E+04 4.00E+04 1.00E+05 2.84E+04 3.26E+04 5.99E+04 4.02E+04 4.32E+04 4.72E+04 4.38E+04 3.48E+04 2.87E+04 2.98E+04 3.21E+04 2.76E+04 3.13E+04 4.40E+04 3.14E+04 2.56E+04 4.21E+04 4.18E+04 9.92E+04 2.62E+04 2.62E+04 4.30E+04 5.38E+04 5.54E+04 4.01E+04 3.02E+04 SM(d18:1/22:2 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/22:2) 7.48E+04 5.47E+04 4.13E+04 1.11E+05 2.07E+05 2.28E+05 5.90E+04 9.06E+04 6.23E+04 1.95E+05 2.02E+05 1.74E+05 2.68E+05 2.82E+05 1.38E+05 2.40E+05 1.97E+05 1.98E+05 2.33E+05 4.64E+04 3.20E+04 4.51E+04 2.60E+05 2.70E+05 2.25E+05 8.06E+04 6.38E+04 3.95E+04 2.04E+05 2.01E+05 1.93E+05 2.52E+05 1.84E+05 2.00E+05 1.50E+05 2.23E+05 2.68E+05 2.20E+05 SM(d18:1/23:0) or SM(d18:1/22:1 OH) 1.56E+05 1.31E+05 1.68E+05 1.20E+05 1.15E+05 1.97E+05 1.08E+05 1.62E+05 1.19E+05 1.81E+05 1.99E+05 5.26E+05 1.89E+05 1.51E+05 3.28E+05 1.53E+05 1.08E+05 1.78E+05 2.18E+05 1.11E+05 1.03E+05 1.07E+05 1.67E+05 1.46E+05 1.96E+05 1.16E+05 6.47E+04 9.92E+04 2.20E+05 1.40E+05 7.58E+05 1.47E+05 2.15E+05 2.96E+05 2.06E+05 3.85E+05 1.71E+05 1.81E+05 SM(d18:1/24:0 OH) 4.73E+04 4.82E+04 2.00E+04 2.65E+04 4.78E+04 3.03E+04 4.62E+04 2.60E+04 4.02E+04 4.89E+04 5.50E+04 7.45E+04 3.27E+04 3.18E+04 6.51E+04 4.97E+04 1.46E+04 3.25E+04 3.48E+04 2.85E+04 5.50E+04 3.38E+04 2.86E+04 4.11E+04 2.89E+04 4.19E+04 1.96E+04 3.74E+04 4.24E+04 3.68E+04 6.71E+04 2.98E+04 7.05E+04 6.93E+04 6.56E+04 5.87E+04 4.20E+04 4.93E+04 SM(d18:1/24:0) 7.91E+05 8.28E+05 8.31E+05 8.36E+05 7.00E+05 9.25E+05 8.98E+05 7.61E+05 8.03E+05 1.16E+06 1.17E+06 3.08E+06 1.03E+06 1.00E+06 2.01E+06 1.35E+06 8.43E+05 1.19E+06 1.16E+06 6.53E+05 7.16E+05 5.72E+05 9.75E+05 9.94E+05 1.17E+06 7.62E+05 4.88E+05 7.83E+05 1.05E+06 1.35E+06 3.39E+06 7.78E+05 1.57E+06 1.86E+06 1.59E+06 2.17E+06 8.49E+05 1.02E+06 SM(d18:1/24:1) 1.33E+05 1.23E+05 1.31E+05 1.05E+05 9.09E+04 1.04E+05 1.01E+05 1.34E+05 1.37E+05 1.47E+05 1.44E+05 3.31E+05 9.10E+04 1.02E+05 2.47E+05 1.78E+05 1.03E+05 1.40E+05 1.41E+05 9.15E+04 1.09E+05 6.82E+04 8.72E+04 9.79E+04 1.11E+05 1.41E+05 5.10E+04 1.01E+05 1.11E+05 1.65E+05 4.22E+05 9.86E+04 1.57E+05 1.76E+05 1.72E+05 1.89E+05 9.74E+04 9.12E+04 SM(d18:1/24:2 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/24:2) 3.59E+04 5.11E+04 5.12E+04 2.15E+05 2.31E+05 3.15E+05 4.54E+04 7.54E+04 5.86E+04 2.28E+05 2.35E+05 2.14E+05 1.95E+05 3.49E+05 2.39E+05 3.01E+05 2.31E+05 2.19E+05 2.70E+05 5.58E+04 4.23E+04 6.50E+04 2.26E+05 2.75E+05 2.20E+05 5.22E+04 4.21E+04 7.52E+04 2.36E+05 2.16E+05 1.72E+05 1.78E+05 1.99E+05 2.16E+05 2.41E+05 2.17E+05 2.46E+05 2.65E+05 SM(d18:1/25:0) or SM(d18:1/24:1 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/26:0 OH) 1.18E+04 1.05E+04 9.17E+03 7.98E+03 1.58E+04 1.34E+04 9.95E+03 1.50E+04 1.10E+04 1.22E+04 1.46E+04 1.21E+04 1.31E+04 1.59E+04 9.92E+03 1.60E+04 1.18E+04 1.49E+04 1.66E+04 9.95E+03 7.60E+03 1.43E+04 1.27E+04 1.30E+04 1.86E+04 1.10E+04 1.23E+04 1.65E+04 7.86E+03 7.27E+03 1.90E+04 1.40E+04 1.30E+04 1.27E+04 2.01E+04 2.28E+04 2.17E+04 1.57E+04 SM(d18:1/26:0) 1.08E+04 8.48E+03 9.69E+03 4.24E+04 5.35E+04 7.28E+04 1.29E+04 8.45E+03 9.71E+03 5.69E+04 3.24E+04 5.94E+04 4.83E+04 6.79E+04 4.34E+04 5.61E+04 5.69E+04 3.87E+04 4.58E+04 1.08E+04 8.11E+03 1.13E+04 6.08E+04 6.15E+04 6.00E+04 9.70E+03 9.40E+03 1.07E+04 5.27E+04 5.38E+04 4.66E+04 3.95E+04 4.65E+04 4.97E+04 4.41E+04 3.95E+04 6.25E+04 4.39E+04 SM(d18:1/26:1 OH) 1.20E+04 1.27E+04 1.21E+04 1.16E+04 1.61E+04 2.33E+04 2.19E+04 1.76E+04 1.17E+04 1.66E+04 2.13E+04 1.26E+04 1.32E+04 1.75E+04 1.78E+04 1.60E+04 1.70E+04 1.75E+04 1.93E+04 1.12E+04 1.00E+04 1.03E+04 2.33E+04 1.52E+04 3.27E+04 1.21E+04 1.23E+04 8.28E+03 1.43E+04 1.79E+04 1.87E+04 1.86E+04 8.92E+03 1.23E+04 1.48E+04 1.85E+04 2.01E+04 2.14E+04 SM(d18:1/26:1) 3.63E+04 3.58E+04 2.98E+04 4.74E+04 5.02E+04 4.23E+04 4.65E+04 4.85E+04 3.24E+04 7.16E+04 6.74E+04 1.56E+05 5.16E+04 4.05E+04 8.64E+04 9.58E+04 4.37E+04 6.04E+04 6.14E+04 4.09E+04 4.60E+04 2.77E+04 5.19E+04 4.36E+04 5.87E+04 4.08E+04 2.05E+04 3.63E+04 6.29E+04 8.28E+04 1.77E+05 4.62E+04 6.92E+04 8.49E+04 9.98E+04 9.45E+04 5.73E+04 4.74E+04 SM(d18:1/26:2 OH) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A SM(d18:1/26:2) N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID PubChem ID HMDB ChEBI DeoxyCer(m18:1/16:0) NA NA NA NA DeoxyCer(m18:1/18:0) NA NA NA NA DeoxyCer(m18:1/20:0) NA NA NA NA DeoxyCer(m18:1/22:0) NA NA NA NA DeoxyCer(m18:1/24:0) NA NA NA NA DeoxyCer(m18:1/24:1) NA NA NA NA DeoxyCer(m18:1/26:0) NA NA NA NA DeoxyCer(m18:1/26:1) NA NA NA NA DeoxydihydroCer(m18:0/16:0) NA NA NA NA DeoxydihydroCer(m18:0/18:0) NA NA NA NA DeoxydihydroCer(m18:0/20:0) NA NA NA NA DeoxydihydroCer(m18:0/22:0) NA NA NA NA DeoxydihydroCer(m18:0/24:0) NA NA NA NA DeoxydihydroCer(m18:0/24:1) NA NA NA NA DeoxydihydroCer(m18:0/26:0) NA NA NA NA DeoxydihydroCer(m18:0/26:1) NA NA NA NA GD2(d18:1/16:0) NA 44262068 NA NA GD2(d18:1/18:0) NA 44262069 NA NA GD2(d18:1/18:1) NA NA NA NA GD2(d18:1/19:0) NA NA NA NA GD2(d18:1/20:0) NA 44262070 NA NA GD2(d18:1/21:0) NA NA NA NA GD2(d18:1/22:0) NA 44262071 NA NA GD3(d18:1/14:0) NA NA NA NA GD3(d18:1/15:0) NA NA NA NA GD3(d18:1/16:0) NA 44262044 NA NA GD3(d18:1/16:1) NA NA NA NA GD3(d18:1/17:0) NA NA NA NA GD3(d18:1/18:0) NA 44262045 NA NA GD3(d18:1/18:1) NA NA NA NA GD3(d18:1/19:0) NA NA NA NA GD3(d18:1/20:0) NA 44262046 NA NA GD3(d18:1/21:0) NA NA NA NA GD3(d18:1/22:0) NA 44262047 NA NA GD3(d18:1/23:0) NA NA NA NA GD3(d18:1/24:0) NA 44262048 NA NA GD3(d18:1/25:0) NA NA NA NA GM2(d18:1/16:0) NA 44262060 NA NA GM2(d18:1/16:1) NA NA NA NA GM2(d18:1/18:1) NA NA NA NA GM2(d18:1/20:0) NA 44262062 NA NA GM3(d18:1/16:0) NA 44262036 NA NA GM3(d18:1/16:1) NA NA NA NA GM3(d18:1/18:0) NA 44262037 NA NA GM3(d18:1/18:1) NA NA NA NA GM3(d18:1/20:0) NA 44262038 NA NA GM3(d18:1/22:0) NA 44262039 NA NA GM3(d18:1/24:0) NA 44262040 NA NA GM3(d18:1/24:1) NA 44262042 NA NA SM(d18:1/12:0) C00550 44260123 HMDB0012096 17636 SM(d18:1/16:0 OH) NA NA NA NA SM(d18:1/16:0) C00550 5283590 HMDB0010169 17636 SM(d18:1/16:1 OH) NA NA NA NA SM(d18:1/16:1) NA 52931145 NA 64487 SM(d18:1/16:2 OH) NA NA NA NA SM(d18:1/16:2) NA NA NA NA SM(d18:1/18:0 OH) NA NA NA NA SM(d18:1/18:0) C00550 5283588 HMDB0001348 17636 SM(d18:1/18:1 OH) NA NA NA NA SM(d18:1/18:1) C00550 53481366 HMDB0012100 17636 SM(d18:1/18:2 OH) NA NA NA NA SM(d18:1/18:2) NA NA NA NA SM(d18:1/20:0 OH) NA NA NA NA SM(d18:1/20:0) C00550 44260124 HMDB0012102 113818 SM(d18:1/20:1 OH) NA NA NA NA SM(d18:1/20:1) NA 52931179 NA 90494 SM(d18:1/20:2 OH) NA NA NA NA SM(d18:1/20:2) NA NA NA NA SM(d18:1/22:0 OH) NA NA NA NA SM(d18:1/22:0) C00550 44260125 HMDB0012103 17636 SM(d18:1/22:1) NA NA NA NA SM(d18:1/22:2 OH) NA NA NA NA SM(d18:1/22:2) NA NA NA NA SM(d18:1/23:0) or SM(d18:1/22:1 OH) NA NA NA NA SM(d18:1/24:0 OH) NA NA NA NA SM(d18:1/24:0) NA 5283595 HMDB0011697 NA SM(d18:1/24:1) C00550 44260126 HMDB0012107 17636 SM(d18:1/24:2 OH) NA NA NA NA SM(d18:1/24:2) NA NA NA NA SM(d18:1/25:0) or SM(d18:1/24:1 OH) NA NA NA NA SM(d18:1/26:0 OH) NA NA NA NA SM(d18:1/26:0) C00550 5283597 HMDB0011698 NA SM(d18:1/26:1 OH) NA NA NA NA SM(d18:1/26:1) C00550 44260128 HMDB0013461 84476 SM(d18:1/26:2 OH) NA NA NA NA SM(d18:1/26:2) NA NA NA NA METABOLITES_END #END