#METABOLOMICS WORKBENCH hormel101_20160722_082113 DATATRACK_ID:684 STUDY_ID:ST000433 ANALYSIS_ID:AN000683 PROJECT_ID:PR000335 VERSION 1 CREATED_ON July 29, 2016, 2:44 pm #PROJECT PR:PROJECT_TITLE Plasma sphingolipid changes with autopsy-confirmed Lewy body or Alzheimer's PR:PROJECT_TITLE pathology PR:PROJECT_TYPE targeted sphingolipid and fatty acid analyses PR:PROJECT_SUMMARY The clinical and pathological phenotypes of Dementia with Lewy bodies (DLB) and PR:PROJECT_SUMMARY Alzheimer's disease (AD) often overlap. We examined whether plasma lipids PR:PROJECT_SUMMARY differed among individuals with autopsy-confirmed Lewy Body pathology or AD PR:PROJECT_SUMMARY pathology. PR:INSTITUTE Mayo Clinic PR:DEPARTMENT Department of Neurology PR:LABORATORY Mayo Metabolomics Core PR:LAST_NAME Mielke PR:FIRST_NAME Michelle PR:ADDRESS 200 First Street SW, Rochester, MN 55905 PR:EMAIL Mielke.Michelle@mayo.edu PR:PHONE 507-293-1069 #STUDY ST:STUDY_TITLE Plasma sphingolipid changes with autopsy-confirmed Lewy body or Alzheimer's ST:STUDY_TITLE pathology ST:STUDY_TYPE targeted sphingolipid and fatty acid analyses ST:STUDY_SUMMARY We identified four groups with available plasma 2 years before death: high (n = ST:STUDY_SUMMARY 12) and intermediate-likelihood DLB (n = 14) based on the third report of the ST:STUDY_SUMMARY DLB consortium; dementia with Alzheimer's pathology (.D n = 18); and ST:STUDY_SUMMARY cognitively normal with normal aging pathology (n = 21). Lipids were measured ST:STUDY_SUMMARY using ESI/MS/MS. ST:INSTITUTE Mayo Clinic ST:DEPARTMENT Department of Neurology ST:LABORATORY Mayo Clinic Metabolomics Resource Core ST:LAST_NAME Mielke ST:FIRST_NAME Michelle ST:ADDRESS 200 First Street SW, Rochester, MN 55905 ST:EMAIL Mielke.Michelle@mayo.edu ST:PHONE 507-293-1069 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS subject_1 sample1 Group:Cognitively normal Sex=MALE; blood draw_age=78 SUBJECT_SAMPLE_FACTORS subject_2 sample2 Group:Cognitively normal Sex=MALE; blood draw_age=86 SUBJECT_SAMPLE_FACTORS subject_3 sample3 Group:Cognitively normal Sex=MALE; blood draw_age=78 SUBJECT_SAMPLE_FACTORS subject_4 sample4 Group:Cognitively normal Sex=MALE; blood draw_age=92 SUBJECT_SAMPLE_FACTORS subject_5 sample5 Group:Cognitively normal Sex=MALE; blood draw_age=75 SUBJECT_SAMPLE_FACTORS subject_6 sample6 Group:Cognitively normal Sex=MALE; blood draw_age=73 SUBJECT_SAMPLE_FACTORS subject_7 sample7 Group:Cognitively normal Sex=MALE; blood draw_age=86 SUBJECT_SAMPLE_FACTORS subject_8 sample8 Group:Cognitively normal Sex=MALE; blood draw_age=89 SUBJECT_SAMPLE_FACTORS subject_9 sample9 Group:Cognitively normal Sex=MALE; blood draw_age=83 SUBJECT_SAMPLE_FACTORS subject_10 sample10 Group:Cognitively normal Sex=MALE; blood draw_age=82 SUBJECT_SAMPLE_FACTORS subject_11 sample11 Group:Cognitively normal Sex=MALE; blood draw_age=81 SUBJECT_SAMPLE_FACTORS subject_12 sample12 Group:Cognitively normal Sex=MALE; blood draw_age=92 SUBJECT_SAMPLE_FACTORS subject_13 sample13 Group:Cognitively normal Sex=MALE; blood draw_age=75 SUBJECT_SAMPLE_FACTORS subject_14 sample14 Group:Cognitively normal Sex=MALE; blood draw_age=91 SUBJECT_SAMPLE_FACTORS subject_15 sample15 Group:Cognitively normal Sex=MALE; blood draw_age=88 SUBJECT_SAMPLE_FACTORS subject_16 sample16 Group:Cognitively normal Sex=MALE; blood draw_age=81 SUBJECT_SAMPLE_FACTORS subject_17 sample17 Group:Cognitively normal Sex=FEMALE; blood draw_age=80 SUBJECT_SAMPLE_FACTORS subject_18 sample18 Group:Cognitively normal Sex=FEMALE; blood draw_age=75 SUBJECT_SAMPLE_FACTORS subject_19 sample19 Group:Cognitively normal Sex=FEMALE; blood draw_age=77 SUBJECT_SAMPLE_FACTORS subject_20 sample20 Group:Cognitively normal Sex=FEMALE; blood draw_age=74 SUBJECT_SAMPLE_FACTORS subject_21 sample21 Group:Cognitively normal Sex=FEMALE; blood draw_age=81 SUBJECT_SAMPLE_FACTORS subject_22 sample22 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=85 SUBJECT_SAMPLE_FACTORS subject_23 sample23 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=76 SUBJECT_SAMPLE_FACTORS subject_24 sample24 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=74 SUBJECT_SAMPLE_FACTORS subject_25 sample25 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=71 SUBJECT_SAMPLE_FACTORS subject_26 sample26 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=81 SUBJECT_SAMPLE_FACTORS subject_27 sample27 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=75 SUBJECT_SAMPLE_FACTORS subject_28 sample28 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=80 SUBJECT_SAMPLE_FACTORS subject_29 sample29 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=70 SUBJECT_SAMPLE_FACTORS subject_30 sample30 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=73 SUBJECT_SAMPLE_FACTORS subject_31 sample31 Group:Dementia with Lewy Bodies Sex=MALE; blood draw_age=84 SUBJECT_SAMPLE_FACTORS subject_32 sample32 Group:Dementia with Lewy Bodies Sex=FEMALE; blood draw_age=- SUBJECT_SAMPLE_FACTORS subject_33 sample33 Group:Dementia with Lewy Bodies Sex=FEMALE; blood draw_age=74 SUBJECT_SAMPLE_FACTORS subject_34 sample34 Group:Dementia with Lewy Bodies Sex=FEMALE; blood draw_age=79 SUBJECT_SAMPLE_FACTORS subject_35 sample35 Group:Mixed DLB and AD Sex=MALE; blood draw_age=89 SUBJECT_SAMPLE_FACTORS subject_36 sample36 Group:Mixed DLB and AD Sex=MALE; blood draw_age=81 SUBJECT_SAMPLE_FACTORS subject_37 sample37 Group:Mixed DLB and AD Sex=MALE; blood draw_age=81 SUBJECT_SAMPLE_FACTORS subject_38 sample38 Group:Mixed DLB and AD Sex=MALE; blood draw_age=80 SUBJECT_SAMPLE_FACTORS subject_39 sample39 Group:Mixed DLB and AD Sex=MALE; blood draw_age=73 SUBJECT_SAMPLE_FACTORS subject_40 sample40 Group:Mixed DLB and AD Sex=MALE; blood draw_age=73 SUBJECT_SAMPLE_FACTORS subject_41 sample41 Group:Mixed DLB and AD Sex=MALE; blood draw_age=72 SUBJECT_SAMPLE_FACTORS subject_42 sample42 Group:Mixed DLB and AD Sex=MALE; blood draw_age=70 SUBJECT_SAMPLE_FACTORS subject_43 sample43 Group:Mixed DLB and AD Sex=MALE; blood draw_age=71 SUBJECT_SAMPLE_FACTORS subject_44 sample44 Group:Mixed DLB and AD Sex=MALE; blood draw_age=73 SUBJECT_SAMPLE_FACTORS subject_45 sample45 Group:Mixed DLB and AD Sex=MALE; blood draw_age=83 SUBJECT_SAMPLE_FACTORS subject_46 sample46 Group:Mixed DLB and AD Sex=MALE; blood draw_age=76 SUBJECT_SAMPLE_FACTORS subject_47 sample47 Group:Mixed DLB and AD Sex=MALE; blood draw_age=71 SUBJECT_SAMPLE_FACTORS subject_48 sample48 Group:Mixed DLB and AD Sex=FEMALE; blood draw_age=92 SUBJECT_SAMPLE_FACTORS subject_49 sample49 Group:Mixed DLB and AD Sex=FEMALE; blood draw_age=88 SUBJECT_SAMPLE_FACTORS subject_50 sample50 Group:Mixed DLB and AD Sex=FEMALE; blood draw_age=92 SUBJECT_SAMPLE_FACTORS subject_51 sample51 Group:Mixed DLB and AD Sex=FEMALE; blood draw_age=86 SUBJECT_SAMPLE_FACTORS subject_52 sample52 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=85 SUBJECT_SAMPLE_FACTORS subject_53 sample53 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=82 SUBJECT_SAMPLE_FACTORS subject_54 sample54 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=87 SUBJECT_SAMPLE_FACTORS subject_55 sample55 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=86 SUBJECT_SAMPLE_FACTORS subject_56 sample56 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=84 SUBJECT_SAMPLE_FACTORS subject_57 sample57 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=80 SUBJECT_SAMPLE_FACTORS subject_58 sample58 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=84 SUBJECT_SAMPLE_FACTORS subject_59 sample59 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=78 SUBJECT_SAMPLE_FACTORS subject_60 sample60 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=75 SUBJECT_SAMPLE_FACTORS subject_61 sample61 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=78 SUBJECT_SAMPLE_FACTORS subject_62 sample62 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=82 SUBJECT_SAMPLE_FACTORS subject_63 sample63 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=71 SUBJECT_SAMPLE_FACTORS subject_64 sample64 Group:Alzheimer's disease dementia Sex=MALE; blood draw_age=75 SUBJECT_SAMPLE_FACTORS subject_65 sample65 Group:Alzheimer's disease dementia Sex=FEMALE; blood draw_age=78 SUBJECT_SAMPLE_FACTORS subject_66 sample66 Group:Alzheimer's disease dementia Sex=FEMALE; blood draw_age=75 SUBJECT_SAMPLE_FACTORS subject_67 sample67 Group:Alzheimer's disease dementia Sex=FEMALE; blood draw_age=70 SUBJECT_SAMPLE_FACTORS subject_68 sample68 Group:Alzheimer's disease dementia Sex=FEMALE; blood draw_age=74 SUBJECT_SAMPLE_FACTORS subject_69 sample69 Group:Alzheimer's disease dementia Sex=FEMALE; blood draw_age=76 #COLLECTION CO:COLLECTION_SUMMARY All blood samples in the Mayo Clinic ADRC are collected from nonfasting CO:COLLECTION_SUMMARY participants in the sitting position in a clinical laboratory. Serum tubes CO:COLLECTION_SUMMARY (red-top) are drawn first, followed by EDTA plasma tubes. Blood is drawn from CO:COLLECTION_SUMMARY the median cubital vein with a 21 g needle and typically centrifuged at 2000 g CO:COLLECTION_SUMMARY for 10 minutes at 4°C. The serum and plasma are aliquoted into 0.5 mL and CO:COLLECTION_SUMMARY stored in a −80°C freezer until use. None of the aliquots were thawed before CO:COLLECTION_SUMMARY being pulled to measure the sphingolipids and fatty acids. We have previously CO:COLLECTION_SUMMARY shown that long-term storage, up to 38 years, in long-term −80°C freezers CO:COLLECTION_SUMMARY does not affect sphingolipid levels [26]. #TREATMENT TR:TREATMENT_SUMMARY All individuals were enrolled in the Mayo Clinic Alzheimer's Disease Research TR:TREATMENT_SUMMARY Center (ADRC) and donated their brain to the Neuropathology Core. Eligibility TR:TREATMENT_SUMMARY criteria for the proposed study included an autopsy report and available blood TR:TREATMENT_SUMMARY at the last study visit before death. Standardized methods for sampling and TR:TREATMENT_SUMMARY neuropathologic examination were performed according to the third report of the TR:TREATMENT_SUMMARY DLB consortium (CDLB) [20], [21] and the Consortium to Establish a Registry for TR:TREATMENT_SUMMARY Alzheimer's Disease guidelines [22]. Braak neurofibrillary tangle (NFT) stage TR:TREATMENT_SUMMARY was determined based on the distribution of NFTs assessed with Bielschowsky TR:TREATMENT_SUMMARY silver stain [23]. A consensus clinical diagnosis was determined at each study TR:TREATMENT_SUMMARY visit by a panel of neurologists, neuropsychologists, and nurses who reviewed TR:TREATMENT_SUMMARY all patient information including neuropsychological results, activities of TR:TREATMENT_SUMMARY daily living, and the Clinical Dementia Rating scale. The diagnosis of dementia TR:TREATMENT_SUMMARY was based on DSM-III-R criteria [24]. We identified the following four groups: TR:TREATMENT_SUMMARY (1) Cognitively normal-normal pathology [CN, n = 21]. These individuals had no TR:TREATMENT_SUMMARY LBs, had low-likelihood AD according to the National Institute of Aging TR:TREATMENT_SUMMARY (NIA)-Reagan Criteria [25], and were cognitively normal as of their last study TR:TREATMENT_SUMMARY visit. (2) High-likelihood DLB [n = 13]. These individuals met criteria for TR:TREATMENT_SUMMARY high-likelihood DLB according to the CDLB, had Braak NFT stage ≤ IV, low to TR:TREATMENT_SUMMARY intermediate-likelihood AD, and a diagnosis of dementia as of the last study TR:TREATMENT_SUMMARY visit. Twelve patients had diffuse LB and one had transitional LB. (3) TR:TREATMENT_SUMMARY Intermediate-likelihood DLB (n = 17). These individuals had both DLB and AD TR:TREATMENT_SUMMARY pathologies. They had transitional (n = 14) or diffuse (n = 3) LBs, met criteria TR:TREATMENT_SUMMARY for intermediate-likelihood DLB according to the CDLB, had Braak NFT stage ≥ TR:TREATMENT_SUMMARY IV, intermediate to high-likelihood AD, and a diagnosis of dementia as of the TR:TREATMENT_SUMMARY last study visit. (4) Alzheimer's disease pathology (AD, n = 18). These TR:TREATMENT_SUMMARY individuals had high (n = 16) or intermediate (n = 2) likelihood AD according to TR:TREATMENT_SUMMARY NIA-Reagan criteria, had Braak NFT stage ≥ IV, no LBs, and had a diagnosis of TR:TREATMENT_SUMMARY probable AD dementia. Given our previous report that plasma ceramides increase TR:TREATMENT_SUMMARY with age and are higher in women [26], we frequency matched the four groups by TR:TREATMENT_SUMMARY sex and also by age. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The lipids were extracted from 200 μL of plasma after the addition of internal SP:SAMPLEPREP_SUMMARY standards. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The targeted sphingolipid and fatty acid analyses were conducted by the Mayo CH:CHROMATOGRAPHY_SUMMARY Clinic Metabolomics Core. Electrospray ionization mass spectrometry was used to CH:CHROMATOGRAPHY_SUMMARY quantify plasma ceramides, sphinganine, sphingosine, sphingosine-1-phosphate CH:CHROMATOGRAPHY_SUMMARY (S1P), monohexosylceramides, and free fatty acids. The lipids were extracted CH:CHROMATOGRAPHY_SUMMARY from 200 μL of plasma after the addition of internal standards. The extracts CH:CHROMATOGRAPHY_SUMMARY were measured against a standard curve on the Thermo TSQ Quantum Ultra mass CH:CHROMATOGRAPHY_SUMMARY spectrometer (West Palm Beach, FL) coupled with a Waters Acquity UPLC system CH:CHROMATOGRAPHY_SUMMARY (Milford, MA) and quantified in μM units. CH:CHROMATOGRAPHY_TYPE UPLC CH:INSTRUMENT_NAME Thermo TSQ Quantum Ultra CH:COLUMN_NAME NONE #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Quantum Ultra MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS micromolar MS_METABOLITE_DATA_START Samples sample1 sample2 sample3 sample4 sample5 sample6 sample7 sample8 sample9 sample10 sample11 sample12 sample13 sample14 sample15 sample16 sample17 sample18 sample19 sample20 sample21 sample22 sample23 sample24 sample25 sample26 sample27 sample28 sample29 sample30 sample31 sample32 sample33 sample34 sample35 sample36 sample37 sample38 sample39 sample40 sample41 sample42 sample43 sample44 sample45 sample46 sample47 sample48 sample49 sample50 sample51 sample52 sample53 sample54 sample55 sample56 sample57 sample58 sample59 sample60 sample61 sample62 sample63 sample64 sample65 sample66 sample67 sample68 sample69 Factors Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Cognitively normal Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Dementia with Lewy Bodies Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Mixed DLB and AD Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia Group:Alzheimer's disease dementia sph 0.005 0.013 0.005 0.015 0.004 0.002 0.003 0.008 0.01 0.011 0.006 0.012 0.011 0.004 0.029 0.007 0.003 0.004 0.012 0.01 0.01 0.018 0.003 0.003 0.006 0.003 0.005 0.032 0.009 0.014 0.005 0.006 0.006 0.005 0.006 0.011 0.005 0.009 0.003 0.01 0.007 0.009 0.002 0.006 0.012 0.011 0.006 0.011 0.017 0.007 0.015 0.009 0.012 0.004 0.004 0.004 0.006 0.018 0.002 0.011 0.011 0.004 0.008 0.007 0.004 0.005 0.003 0.012 0.008 spa 0.004 0.011 0.007 0.009 0.004 0.003 0.004 0.007 0.008 0.005 0.004 0.012 0.013 0.005 0.016 0.007 0.005 0.004 0.012 0.013 0.007 0.008 0.002 0.004 0.004 0.003 0.004 0.028 0.007 0.011 0.006 0.004 0.007 0.004 0.005 0.008 0.004 0.008 0.004 0.007 0.007 0.008 0.004 0.005 0.012 0.008 0.006 0.007 0.014 0.008 0.013 0.007 0.008 0.006 0.006 0.005 0.006 0.01 0.002 0.008 0.005 0.004 0.006 0.007 0.005 0.003 0.005 0.011 0.011 s1p 2.16 3.38 2.41 1.32 1.72 1.41 0.63 1.04 0.96 1.17 1.27 3.04 3.73 3.34 4.1 2.04 0.96 2.26 3.97 5.09 1.14 2.21 1.77 2.34 2.25 1.51 2.04 0.23 2.88 1.85 3.39 1.9 1.18 2.28 1 3.01 1.6 4 2.57 2.03 1.24 2.19 1.38 2.48 3.47 3.92 3.65 3.99 4.83 3.47 4 4.37 2.92 2.06 0.77 1.92 2.14 2.42 0.84 3.74 1.18 1.45 3.13 1.71 2.8 2.44 2.16 1.19 3.54 cer140 0.026 0.03 0.044 0.011 0.027 0.062 0.032 0.016 0.039 0.017 0.031 0.019 0.029 0.02 0.038 0.041 0.021 0.025 0.041 0.046 0.026 0.034 0.034 0.057 0.029 0.046 0.025 0.085 0.023 0.026 0.027 0.034 0.05 0.042 0.052 0.044 0.019 0.02 0.028 0.031 0.026 0.031 0.033 0.03 0.038 0.024 0.033 0.02 0.02 0.03 0.026 0.04 0.027 0.025 0.04 0.023 0.035 0.027 0.044 0.046 0.022 0.025 0.021 0.026 0.028 0.025 0.023 0.058 0.029 cer160 0.351 0.517 0.621 0.467 0.377 0.931 0.504 0.219 0.34 0.496 0.452 0.457 0.436 0.336 0.409 0.481 0.541 0.503 0.602 0.608 0.336 0.53 0.603 0.716 0.412 0.775 0.461 1.406 0.546 0.631 0.499 0.618 0.655 0.491 0.567 0.738 0.346 0.435 0.264 0.489 0.372 0.524 0.499 0.571 0.572 0.45 0.442 0.552 0.365 0.706 0.489 0.6 0.475 0.55 0.514 0.681 0.563 0.576 0.579 0.927 0.746 0.513 0.351 0.32 0.491 0.482 0.638 0.747 0.637 cer181 0.009 0.009 0.02 0.016 0.015 0.07 0.023 0.017 0.023 0.03 0.022 0.014 0.023 0.018 0.021 0.028 0.028 0.031 0.031 0.024 0.023 0.051 0.033 0.029 0.033 0.039 0.02 0.213 0.015 0.057 0.022 0.034 0.042 0.025 0.03 0.069 0.017 0.013 0.013 0.027 0.016 0.032 0.038 0.025 0.029 0.022 0.02 0.032 0.024 0.019 0.028 0.02 0.021 0.029 0.028 0.033 0.019 0.026 0.04 0.033 0.035 0.021 0.026 0.023 0.045 0.036 0.034 0.054 0.036 cer180 0.05 0.05 0.1 0.09 0.06 0.18 0.06 0.06 0.08 0.18 0.07 0.07 0.1 0.05 0.09 0.09 0.12 0.11 0.13 0.08 0.08 0.16 0.13 0.08 0.1 0.15 0.09 0.57 0.07 0.15 0.07 0.13 0.13 0.08 0.12 0.28 0.06 0.07 0.05 0.11 0.06 0.11 0.11 0.08 0.12 0.09 0.06 0.11 0.06 0.14 0.13 0.09 0.07 0.11 0.11 0.11 0.07 0.1 0.16 0.15 0.22 0.09 0.07 0.06 0.12 0.17 0.09 0.19 0.13 cer200 0.1 0.14 0.18 0.08 0.12 0.38 0.13 0.09 0.13 0.23 0.18 0.13 0.22 0.11 0.25 0.17 0.19 0.21 0.23 0.18 0.14 0.34 0.3 0.27 0.19 0.25 0.13 0.36 0.11 0.24 0.17 0.19 0.24 0.16 0.2 0.48 0.1 0.12 0.11 0.16 0.11 0.17 0.19 0.12 0.21 0.16 0.14 0.2 0.08 0.19 0.21 0.18 0.15 0.22 0.24 0.24 0.2 0.21 0.3 0.38 0.28 0.13 0.18 0.12 0.27 0.27 0.2 0.3 0.27 cer241 0.56 0.73 0.87 0.85 0.96 1.11 0.58 0.39 0.74 0.9 0.64 0.76 0.97 0.6 0.99 0.88 0.79 1.44 1.07 0.8 0.7 1.89 1.3 1.36 1.19 1.75 0.78 0.76 0.84 1.51 0.64 1.06 0.98 0.74 0.82 1.82 0.71 0.72 0.62 0.65 0.5 0.87 0.84 0.6 0.71 1.07 0.84 0.9 0.49 0.93 0.78 0.61 0.63 1.1 1.08 1.24 0.82 1.16 1.2 1.3 1 0.92 0.55 0.61 1.04 1.69 1.13 1.01 1.23 cer240 2 2.12 2.61 0.55 2.94 6.27 2.47 0.87 2.02 1.36 2.34 2.13 1.75 1.9 4.11 2.43 1.97 2.34 3.37 3.18 2.4 2.69 2.64 2.33 2.06 3.32 1.27 1.07 1.12 2.55 2.33 1.41 3.45 1.7 2.14 2.93 1.48 1.75 1.68 1.73 1.37 3.25 3.31 1.31 2.59 2.09 2.23 1.89 1.21 2.26 1.78 2.18 1.54 2.27 3.36 2.63 2.77 2.5 1.82 4.98 1.17 1.59 1.87 1.82 4.59 1.99 2.77 2.97 3.16 linolenic 0.53 1.11 4.71 1.36 2.77 1.44 1.25 4.59 3.85 3.3 5.95 2.67 2.96 5.31 7.14 2.88 0.37 1.9 4.38 6.8 2.71 2.5 7.87 2.16 5.37 1.8 0.61 29.35 6.76 3.59 2.98 4.69 12.26 0.82 1.09 7.9 2.3 1 3.29 3.54 4.96 1.4 1.12 0.7 2.77 1.41 1.36 2.86 4.7 1.11 1.88 3.36 1.82 0.68 0.95 1.12 0.81 0.71 3.19 2.85 4.44 0.72 2.62 4.03 4.63 3.05 2.07 9.4 1.6 myristic 2.32 5.5 7.73 5.8 4.25 4.41 4.1 6.55 9.95 8.53 9.06 11.09 11.75 19.67 15.63 12.96 1.73 3.28 23.88 31.58 8.57 28.08 8.19 8.37 15.78 2.04 3.79 39.06 18.84 10.35 3.04 24.45 29.37 7.76 4.32 21 3.69 4.73 11.71 10.03 7.69 5.97 7.42 7.71 7.91 2.8 6.82 10.29 14.36 2.95 7.2 5.58 3.84 2.48 2.23 2.18 3.03 3 12.29 16.65 13.99 1.98 2.28 7.91 9.1 13.56 5.65 28.21 10.33 palmitoleic 1.93 3.91 3.99 5.37 2.54 2.7 2.32 5.84 5.18 10.03 7.85 11.38 9.55 17.57 12.41 10.71 1.35 3.61 22.81 35.36 9.57 16.53 10.13 7.12 14.24 2.02 1.65 37.4 19.62 7.48 1.34 27 29.95 1.99 2.58 20.5 2.92 2.11 8.16 5.61 7.61 2.45 2.79 1.49 4.87 2.34 1.89 7.06 10.71 2.3 3.7 2.22 3.4 1.34 2.53 2.32 2.01 2.58 14.96 9.17 12.7 1.35 1.62 6.15 8.22 18.47 4.39 11.7 8.81 arachidonic 1.1 0.91 2.18 1.24 1.52 1.03 0.72 1 0.85 0.95 1.58 0.88 1.33 1.04 0.91 1.13 0.7 1.15 0.97 0.75 0.9 0.98 1.81 0.78 1.39 1.12 1.12 32.71 1.69 1.05 0.62 1.02 1.7 0.92 0.88 1.04 1.17 0.91 0.73 0.6 1.12 1.03 1.11 0.9 0.93 1 0.66 0.67 0.54 1.05 1.1 0.75 0.97 0.75 0.78 1.14 1.3 0.96 2.57 0.95 1.31 1.14 0.76 0.93 1.2 1.58 1.12 1.2 0.98 linoleic 4.06 14.45 36.1 19.69 24.82 17.81 16.23 29.05 34.35 36.92 60.4 29.39 26.01 48.19 52.88 31.1 7.09 13.95 50.08 73.07 26.88 34.88 64.5 20.74 38.77 14.42 7.33 269.24 67.84 36.68 20.8 52.82 100.78 5.46 12.37 69.93 13.53 8.37 33.53 30.92 35.61 14.13 9.26 6.32 21.85 12.33 11.85 30.31 40.93 8.97 15.98 24.68 22.44 9.24 10.01 13.18 7.74 6.02 32.6 35.91 59.6 6.55 21.79 34.01 43.16 37.05 20.96 57.47 18.52 palmitic 19.97 69.92 81.98 73.33 51.84 48.29 40.36 69.77 91.1 119.49 103.77 114.8 90.32 152.98 130.37 129.04 21.05 24.96 219.54 210.64 75.54 217.78 101.55 71.9 97.82 30.2 30.22 444.17 157.88 114.27 40.86 171.94 228.79 32.32 29.98 170.69 41.73 42.86 95.28 79.59 65.98 66.18 42.21 65.93 65.72 42.04 48.21 100.88 130.21 35.01 55.72 52.96 68.02 26.87 28.5 31.12 23.72 40.34 100.3 150.63 122.86 20.2 40.55 104.59 86.81 147.5 56.74 147.7 100.88 oleic 15.88 56.87 86.29 79.7 55.39 49.91 31.35 64.15 78.31 111.85 126.81 108.96 80.97 137.68 111.12 123.53 14.96 29.97 177.55 267.93 73.93 207.19 123.29 70.45 134.31 34.54 24.41 306.46 193.43 117.44 28.91 214.53 280.36 23.89 22.24 241.42 28.32 25.55 107.15 61.03 66.73 42.3 33.96 23.61 39.72 32.03 24.77 83.53 104.27 20.68 33.87 35.72 52.53 17.5 25.07 36.46 21.67 21.44 89.46 126.45 134.53 20.82 31.26 99.16 102.05 170.05 66.66 130.59 83.38 elaidic 2.21 7.36 33.71 8.49 9.93 15.24 6.06 5.51 9.61 8.66 8.44 8.14 8.48 9.51 7.42 10.62 2.79 3.72 13.11 17.24 6.98 20.84 21.81 10.25 11.72 6.11 2.27 29.44 22.08 16 3.47 24.03 26.25 2.03 4.04 36.18 2.37 4.19 7.45 6.05 4.84 7.82 4.91 4.68 3.7 2.46 2.46 12.35 15.62 2.86 2.8 6.03 4.72 3 3.56 6.76 2.69 3.38 7.03 17.48 15.02 4.86 10.27 13.75 15.87 18.12 14.08 28.24 9.2 stearic 5.73 31.55 53.9 38.97 26.91 33.43 14.44 22.1 22.22 34.19 30.2 41.91 38.09 49.95 32.85 43.17 7.76 8.56 68.22 64.27 22.75 80.92 45.49 25.42 38.78 13.06 13.28 96.19 59.76 48.21 14.17 58.51 88.78 10.72 10.87 55.03 13.09 16.77 28.44 21.94 18.47 31.43 18.94 34.29 21.85 16.1 17.05 33.79 36.82 15.97 21.41 24.11 32.27 9.56 9.29 17.62 9.87 11.78 33.48 54.48 36.75 9.58 19.1 36.83 35.21 53.7 24.83 64.53 32.28 c180hexcerum 0.216 0.111 0.171 0.08 0.112 0.263 0.144 0.054 0.183 0.179 0.107 0.236 0.222 0.275 0.129 0.192 0.323 0.271 0.272 0.288 0.072 0.453 0.233 0.137 0.235 0.187 0.246 0.195 0.144 0.554 0.206 0.311 0.33 0.328 0.138 0.061 0.182 0.127 0.165 0.123 0.252 0.239 0.181 0.151 0.184 0.161 0.186 0.174 0.236 0.229 0.248 0.168 0.207 0.237 0.209 0.333 0.102 0.274 0.228 0.246 0.186 0.131 0.157 0.2 0.632 0.322 0.32 0.209 c181hexcerum 0.017 0.013 0.016 0.007 0.01 0.027 0.024 0.006 0.02 0.013 0.009 0.012 0.013 0.012 0.01 0.011 0.029 0.034 0.013 0.02 0.009 0.023 0.044 0.024 0.016 0.038 0.018 0.02 0.013 0.046 0.026 0.041 0.018 0.048 0.028 0.005 0.019 0.012 0.012 0.01 0.016 0.014 0.012 0.008 0.01 0.014 0.024 0.024 0.023 0.015 0.022 0.011 0.024 0.026 0.024 0.036 0.006 0.018 0.022 0.022 0.015 0.017 0.019 0.031 0.04 0.035 0.024 0.02 c241hexcerum 1.047 0.454 0.641 0.597 0.414 0.568 0.478 0.233 0.713 0.767 0.339 0.677 0.823 0.782 0.648 0.623 0.981 1.008 0.678 0.773 0.458 1.592 0.848 0.927 1.014 0.78 1.061 0.549 0.761 1.685 0.834 1.083 0.786 0.964 0.66 0.708 0.729 0.733 0.741 0.627 0.614 0.955 0.792 0.481 1.244 0.886 0.751 0.719 0.886 0.776 0.831 0.629 0.755 0.97 0.926 1.22 0.635 1.25 0.706 0.651 1.755 0.56 0.489 0.701 1.193 0.832 0.881 0.809 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name sph spa s1p cer140 cer160 cer181 cer180 cer200 cer241 cer240 linolenic myristic palmitoleic arachidonic linoleic palmitic oleic elaidic stearic c180hexcerum c181hexcerum c241hexcerum METABOLITES_END #END