#METABOLOMICS WORKBENCH wangzhe_20201122_202648 DATATRACK_ID:2329 STUDY_ID:ST001632 ANALYSIS_ID:AN002668 PROJECT_ID:PR001043 VERSION 1 CREATED_ON December 15, 2020, 12:38 pm #PROJECT PR:PROJECT_TITLE Lipidomics of Ginseng Total Secondary Saponins on Myocardial Ischemia Rat PR:PROJECT_SUMMARY Cardioprotective Effect of Ginseng Total Secondary Saponins on Myocardial PR:PROJECT_SUMMARY Ischemia Rat via Regulating Disturbed Lipids Based on Lipidomics. PR:INSTITUTE Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union PR:INSTITUTE Medical College PR:LAST_NAME Wang PR:FIRST_NAME Zhe PR:ADDRESS No.2 nanwei street, xichen district, Beijing, China PR:EMAIL wangzhe@imm.ac.cn PR:PHONE +861083154880 #STUDY ST:STUDY_TITLE Lipidomics of Ginseng Total Secondary Saponins on Myocardial Ischemia Rat ST:STUDY_SUMMARY Cardioprotective Effect of Ginseng Total Secondary Saponins on Myocardial ST:STUDY_SUMMARY Ischemia Rat via Regulating Disturbed Lipids Based on Lipidomics. ST:INSTITUTE Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union ST:INSTITUTE Medical College ST:LAST_NAME Wang ST:FIRST_NAME Zhe ST:ADDRESS No.2 nanwei street, xichen district, Beijing, China ST:EMAIL wangzhe@imm.ac.cn ST:PHONE +861083154880 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 SU:GENOTYPE_STRAIN Sprague-Dawley SU:AGE_OR_AGE_RANGE 6 weeks-age SU:WEIGHT_OR_WEIGHT_RANGE 200 ± 10 SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Vital River Laboratories Co., Ltd (Beijng, China) SU:ANIMAL_HOUSING 25 ± 2℃, 50±5% relative humidity SU:ANIMAL_LIGHT_CYCLE 12 h light/12 h dark photoperiod #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1-A3-PL class:Control | Tissue:plasma RAW_FILE_NAME=140422008.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-A5-PL class:Control | Tissue:plasma RAW_FILE_NAME=140422012.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-B2-PL class:Control | Tissue:plasma RAW_FILE_NAME=140422014.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-B3-PL class:Control | Tissue:plasma RAW_FILE_NAME=140422016.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-B5-PL class:Control | Tissue:plasma RAW_FILE_NAME=140422018.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-C1-PL class:Control | Tissue:plasma RAW_FILE_NAME=140422020.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-A1-PL class:Model | Tissue:plasma RAW_FILE_NAME=140422023.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-B1-PL class:Model | Tissue:plasma RAW_FILE_NAME=140422031.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-B4-PL class:Model | Tissue:plasma RAW_FILE_NAME=140422033.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-C1-PL class:Model | Tissue:plasma RAW_FILE_NAME=140422035.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-C3-PL class:Model | Tissue:plasma RAW_FILE_NAME=140422037.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-C4-PL class:Model | Tissue:plasma RAW_FILE_NAME=140422039.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-A1-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140424022.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-A2-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140424024.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-B3-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140424030.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-C1-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140424032.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-C2-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140424034.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-C4-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140424036.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-A3-N-PL class:Control | Tissue:plasma RAW_FILE_NAME=140522049.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-A5-N-PL class:Control | Tissue:plasma RAW_FILE_NAME=140522053.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-B2-N-PL class:Control | Tissue:plasma RAW_FILE_NAME=140522055.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-B3-N-PL class:Control | Tissue:plasma RAW_FILE_NAME=140522057.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-B5-N-PL class:Control | Tissue:plasma RAW_FILE_NAME=140522059.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-C1-N-PL class:Control | Tissue:plasma RAW_FILE_NAME=140522061.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-A1-N-PL class:Model | Tissue:plasma RAW_FILE_NAME=140522063.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-B1-N-PL class:Model | Tissue:plasma RAW_FILE_NAME=140522071.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-B4-N-PL class:Model | Tissue:plasma RAW_FILE_NAME=140522073.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-C1-N-PL class:Model | Tissue:plasma RAW_FILE_NAME=140522075.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-C3-N-PL class:Model | Tissue:plasma RAW_FILE_NAME=140522077.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-C4-N-PL class:Model | Tissue:plasma RAW_FILE_NAME=140522079.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-A1-N-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140524060.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-A2-N-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140524062.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-B3-N-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140524068.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-C1-N-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140524070.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-C2-N-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140524072.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-C4-N-PL class:GTSS | Tissue:plasma RAW_FILE_NAME=140524074.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-A1-HL class:Control | Tissue:heart RAW_FILE_NAME=140515004.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-A3-HL class:Control | Tissue:heart RAW_FILE_NAME=140515006.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-A5-HL class:Control | Tissue:heart RAW_FILE_NAME=140515008.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-B1-HL class:Control | Tissue:heart RAW_FILE_NAME=140515010.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-B2-HL class:Control | Tissue:heart RAW_FILE_NAME=140515012.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-C5-HL class:Control | Tissue:heart RAW_FILE_NAME=140515020.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-A1-HL class:Model | Tissue:heart RAW_FILE_NAME=140515022.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-A5-HL class:Model | Tissue:heart RAW_FILE_NAME=140515030.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-B1-HL class:Model | Tissue:heart RAW_FILE_NAME=140515032.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-B2-HL class:Model | Tissue:heart RAW_FILE_NAME=140515034.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-B3-HL class:Model | Tissue:heart RAW_FILE_NAME=140515036.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 2-C5-HL class:Model | Tissue:heart RAW_FILE_NAME=140515038.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-A1-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518002.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-A2-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518004.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-A4-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518008.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-B2-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518012.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-B4-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518014.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 8-C5-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518016.RAW; lipid=SM/PC/PE/DG/TG SUBJECT_SAMPLE_FACTORS - 1-A1-N-HL class:Control | Tissue:heart RAW_FILE_NAME=140515041.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-A3-N-HL class:Control | Tissue:heart RAW_FILE_NAME=140515043.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-A5-N-HL class:Control | Tissue:heart RAW_FILE_NAME=140515045.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-B1-N-HL class:Control | Tissue:heart RAW_FILE_NAME=140515047.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-B2-N-HL class:Control | Tissue:heart RAW_FILE_NAME=140515049.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-C5-N-HL class:Control | Tissue:heart RAW_FILE_NAME=140515057.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-A1-N-HL class:Model | Tissue:heart RAW_FILE_NAME=140515059.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-A5-N-HL class:Model | Tissue:heart RAW_FILE_NAME=140515067.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-B1-N-HL class:Model | Tissue:heart RAW_FILE_NAME=140515069.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-B2-N-HL class:Model | Tissue:heart RAW_FILE_NAME=140515071.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-B3-N-HL class:Model | Tissue:heart RAW_FILE_NAME=140515073.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 2-C5-N-HL class:Model | Tissue:heart RAW_FILE_NAME=140515075.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-A1-N-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518035.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-A2-N-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518037.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-A4-N-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518041.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-B2-N-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518045.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-B4-N-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518047.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 8-C5-N-HL class:GTSS | Tissue:heart RAW_FILE_NAME=140518049.RAW; lipid=PI SUBJECT_SAMPLE_FACTORS - 1-A2-PS class:Control | Tissue:plasma RAW_FILE_NAME=0414019.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-A3-PS class:Control | Tissue:plasma RAW_FILE_NAME=0414020.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-A5-PS class:Control | Tissue:plasma RAW_FILE_NAME=0414022.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-B2-PS class:Control | Tissue:plasma RAW_FILE_NAME=0414023.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-B3-PS class:Control | Tissue:plasma RAW_FILE_NAME=0414024.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-B5-PS class:Control | Tissue:plasma RAW_FILE_NAME=0414025.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-A2-PS class:Model | Tissue:plasma RAW_FILE_NAME=0414029.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-A4-PS class:Model | Tissue:plasma RAW_FILE_NAME=0414030.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-A5-PS class:Model | Tissue:plasma RAW_FILE_NAME=0414031.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-B1-PS class:Model | Tissue:plasma RAW_FILE_NAME=0414032.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-C3-PS class:Model | Tissue:plasma RAW_FILE_NAME=0414035.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-C4-PS class:Model | Tissue:plasma RAW_FILE_NAME=0414036.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-A2-PS class:GTSS | Tissue:plasma RAW_FILE_NAME=0415009.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-B2-PS class:GTSS | Tissue:plasma RAW_FILE_NAME=0415011.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-B3-PS class:GTSS | Tissue:plasma RAW_FILE_NAME=0415012.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-C2-PS class:GTSS | Tissue:plasma RAW_FILE_NAME=0415014.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-C4-PS class:GTSS | Tissue:plasma RAW_FILE_NAME=0415015.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-C5-PS class:GTSS | Tissue:plasma RAW_FILE_NAME=0415016.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-A1-HS class:Control | Tissue:heart RAW_FILE_NAME=140604014.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-A3-HS class:Control | Tissue:heart RAW_FILE_NAME=140604015.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-A5-HS class:Control | Tissue:heart RAW_FILE_NAME=140604016.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-B1-HS class:Control | Tissue:heart RAW_FILE_NAME=140604017.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-B2-HS class:Control | Tissue:heart RAW_FILE_NAME=140604018.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 1-B5-HS class:Control | Tissue:heart RAW_FILE_NAME=140604020.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-A1-HS class:Model | Tissue:heart RAW_FILE_NAME=140604022.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-A2-HS class:Model | Tissue:heart RAW_FILE_NAME=140604023.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-A3-HS class:Model | Tissue:heart RAW_FILE_NAME=140604024.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-A4-HS class:Model | Tissue:heart RAW_FILE_NAME=140604025.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-A5-HS class:Model | Tissue:heart RAW_FILE_NAME=140604026.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 2-C5-HS class:Model | Tissue:heart RAW_FILE_NAME=140604029.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-A1-HS class:GTSS | Tissue:heart RAW_FILE_NAME=140604051.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-A2-HS class:GTSS | Tissue:heart RAW_FILE_NAME=140604052.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-A4-HS class:GTSS | Tissue:heart RAW_FILE_NAME=140604054.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-B2-HS class:GTSS | Tissue:heart RAW_FILE_NAME=140604056.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-B3-HS class:GTSS | Tissue:heart RAW_FILE_NAME=140604057.d; lipid=Sph/Cer/CoQ SUBJECT_SAMPLE_FACTORS - 8-C5-HS class:GTSS | Tissue:heart RAW_FILE_NAME=140604058.d; lipid=Sph/Cer/CoQ #COLLECTION CO:COLLECTION_SUMMARY Blood samples of the rats were collected to obtain plasma by centrifugation CO:COLLECTION_SUMMARY (3000r/min, 15 min) using heparin as an anticoagulant and kept at -80℃ until CO:COLLECTION_SUMMARY analysis. Hearts were collected, washed with cold saline and cut in half. One CO:COLLECTION_SUMMARY part was grinded into powder in liquid nitrogen and kept at -80℃. Heart CO:COLLECTION_SUMMARY samples were homogenized in saline on ice at the ratio of tissue to solution was CO:COLLECTION_SUMMARY 1:4 (w/v) before analysis. CO:SAMPLE_TYPE Heart #TREATMENT TR:TREATMENT_SUMMARY Rats were divided into six rats in each group randomly as following: control TR:TREATMENT_SUMMARY rats group, MI model rats group, MI model rats pre-treated with diltiazem group TR:TREATMENT_SUMMARY (50 mg/kg, i.g.), and MI model rats pre-treated with GTSS group (200 mg/kg, TR:TREATMENT_SUMMARY i.g.). Pre-treated rats were consecutively administrated for 4 weeks. Except TR:TREATMENT_SUMMARY control rats group received saline, other rat groups received two injections of TR:TREATMENT_SUMMARY isoproterenol (85 mg/kg, s.c.) on the 27th and 28th days at an interval of 24 TR:TREATMENT_SUMMARY hours. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 100μl of plasma or tissue homogenate was transferred into a 10 ml glass tube SP:SAMPLEPREP_SUMMARY and added 20 μl of lipid internal standards. After vortexed for 10 s, 1.5 ml of SP:SAMPLEPREP_SUMMARY methanol and 5 ml methyl tert-butyl ether were added to the tube, and the sample SP:SAMPLEPREP_SUMMARY was vortexed for 15 min and then added 1.5 ml water, then centrifuged at SP:SAMPLEPREP_SUMMARY 4500r/min for 10 min (4 ℃). The upper organic phase was transferred to another SP:SAMPLEPREP_SUMMARY glass tube, and the lower water phase was added with 2 ml secondary extractant SP:SAMPLEPREP_SUMMARY (methyl tert-butyl ether /methanol/water,10:3:2.5, v/v/v). After vortexed for SP:SAMPLEPREP_SUMMARY 10min and centrifuged for 15min at 4500rpm, and the upper organic phase was SP:SAMPLEPREP_SUMMARY combined and dried under a gentle nitrogen stream. The residue was re-dissolved SP:SAMPLEPREP_SUMMARY in 100 μl methanol/chloroform (1:1, v/v). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Accela 1250 CH:COLUMN_NAME Waters Xterra MS C8 (2.1×100mm,3.5µm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo LTQ-FT MS:INSTRUMENT_TYPE LTQ-FT MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The LTQ-FT was run in full-scan mode at 100000 resolution from m/z50–1200 with MS:MS_COMMENTS MS parameters: sheath gas flow rate, 50 arb; aux gas flow rate, 20 arb; sweep MS:MS_COMMENTS gas flow rate, 3 arb; capillary temperature, 275 ℃ in both positive and MS:MS_COMMENTS negative mode. And spray voltage, 4.5kV; capillary voltage, 35.0V; tube lens, MS:MS_COMMENTS 120V were used for the positive mode. Spray voltage, -4.0kV; capillary voltage, MS:MS_COMMENTS -35.0V; tube lens, -120V were used for the negative mode. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/ml(PL) & pmol/mg(HL) MS_METABOLITE_DATA_START Samples 1-A3-PL 1-A5-PL 1-B2-PL 1-B3-PL 1-B5-PL 1-C1-PL 2-A1-PL 2-B1-PL 2-B4-PL 2-C1-PL 2-C3-PL 2-C4-PL 8-A1-PL 8-A2-PL 8-B3-PL 8-C1-PL 8-C2-PL 8-C4-PL 1-A1-HL 1-A3-HL 1-A5-HL 1-B1-HL 1-B2-HL 1-C5-HL 2-A1-HL 2-A5-HL 2-B1-HL 2-B2-HL 2-B3-HL 2-C5-HL 8-A1-HL 8-A2-HL 8-A4-HL 8-B2-HL 8-B4-HL 8-C5-HL Factors class:Control | Tissue:plasma class:Control | Tissue:plasma class:Control | Tissue:plasma class:Control | Tissue:plasma class:Control | Tissue:plasma class:Control | Tissue:plasma class:Model | Tissue:plasma class:Model | Tissue:plasma class:Model | Tissue:plasma class:Model | Tissue:plasma class:Model | Tissue:plasma class:Model | Tissue:plasma class:GTSS | Tissue:plasma class:GTSS | Tissue:plasma class:GTSS | Tissue:plasma class:GTSS | Tissue:plasma class:GTSS | Tissue:plasma class:GTSS | Tissue:plasma class:Control | Tissue:heart class:Control | Tissue:heart class:Control | Tissue:heart class:Control | Tissue:heart class:Control | Tissue:heart class:Control | Tissue:heart class:Model | Tissue:heart class:Model | Tissue:heart class:Model | Tissue:heart class:Model | Tissue:heart class:Model | Tissue:heart class:Model | Tissue:heart class:GTSS | Tissue:heart class:GTSS | Tissue:heart class:GTSS | Tissue:heart class:GTSS | Tissue:heart class:GTSS | Tissue:heart class:GTSS | Tissue:heart SM16:0 56168.6628 48219.95 51455.2623 58496.0932 55545.7124 61624.5744 124113.3927 88359.555 92696.8367 103785.8764 91001.476 123760.9983 101587.2302 54057.6236 99941.4534 117420.7129 94492.2791 102132.7271 26.34862176 23.21930993 18.88168234 22.65101364 23.98156221 27.28545471 42.03680405 41.78780647 44.59960227 56.13189479 34.61555363 48.46338075 40.98822432 54.11796165 33.42114002 45.32093167 29.63701783 26.33847269 SM16:1 37904.4139 26507.0197 29722.6231 40833.9161 34720.1431 47219.3288 70219.3008 42166.6204 53664.4031 55867.003 73911.1009 86932.1751 28951.0595 20006.8848 28617.9232 30190.8443 28448.6811 32653.2446 21.22499299 14.76661921 15.62188147 10.51891728 14.10944735 13.57680011 37.92211309 30.14765962 23.23762154 32.9083129 29.61619392 52.31391852 16.90569139 40.67970671 23.5315364 36.75199844 17.96799822 21.38313966 SM18d:1 4324.3345 2536.4701 3279.5256 4130.4276 3340.0669 3717.8208 11063.0737 6866.4731 6779.7837 12192.37 9459.5677 14174.6109 6315.1668 6819.0233 9165.2465 12010.1764 7953.7375 11256.4085 8.953580874 6.471146593 6.106285706 6.844376476 9.831159114 7.040866034 6.734304256 7.275080752 9.032429232 9.069314873 6.612199223 8.539793747 5.594849134 8.683287058 5.826435883 9.20377777 5.657082276 4.996691629 SM18:1 1049.0656 1020.7635 1286.8278 1234.3153 1145.3829 1242.8378 2079.6302 1781.0104 1982.6072 3322.2301 2696.9336 2390.1083 1012.1394 800.1941 2462.3191 2964.6372 2709.8853 2568.5017 1.77067124 1.206314876 0.745430444 1.536100626 1.772599214 1.818330667 2.247804196 2.066902994 1.747624814 2.014121181 1.336088129 2.446712148 2.103034704 2.662259532 1.680362284 2.950237483 1.638204922 1.999299866 SM20:0 2069.5516 1339.0382 1949.1414 2173.0063 1739.6547 2605.5587 3471.9127 2946.0562 2752.5958 4517.0656 3876.9872 5741.6541 3022.9336 2446.6936 3433.0374 5863.687 3897.5502 4906.5983 23.46600505 21.79437629 22.50769839 23.12532406 24.78077092 32.43700415 15.10835736 13.28889729 16.44267238 12.74141984 15.16580794 21.04694657 12.1100351 13.35812349 11.09346978 18.0063904 14.044352 12.81405814 SM22:0 16859.4518 13923.1938 20857.913 22015.1578 21583.9906 24374.974 29899.6037 24446.9787 24328.8383 27928.07 35825.8732 43409.4718 32137.2486 27435.7878 39635.6495 32710.1109 38416.9959 34837.5793 45.81809161 40.32137744 45.64521883 39.1090294 48.62169015 60.12021791 29.2873185 32.2875124 36.57208932 30.64206777 38.63103611 50.02418662 34.58611867 41.04899182 33.89657327 60.86298649 43.87814264 34.1446722 SM22:1 7594.4684 4844.1288 6423.5119 8705.966 7593.0777 8696.0046 14010.4386 11963.6459 11818.1406 12756.8542 11663.1255 17401.1513 14427.7655 10445.0211 13024.263 16832.3276 13353.0251 15467.3396 12.15880207 11.97668465 14.33230624 10.23692431 12.63329485 18.45715608 10.91453941 8.762979377 10.43556695 7.456298579 9.767522392 14.53168807 9.795126048 11.69536298 8.125236313 12.59774712 9.636478997 8.940414545 SM24d:1 77929.6332 68373.3013 95841.395 119897.3376 102610.9774 119810.7881 117757.3505 112285.2146 130455.5564 137497.7318 135525.2405 175384.9779 130489.1783 120052.7653 168145.507 171913.2545 164993.9523 145719.8578 41.16178538 31.11027552 43.48827392 31.34343173 39.96488745 51.64730885 35.84437236 33.18053497 39.33247426 35.3815568 42.8506316 58.01557936 39.82507293 51.60710178 39.55653438 68.01361428 46.62166658 37.41516664 SM24:1 76582.7846 69483.3567 100649.5802 103199.2076 106286.1629 129581.2364 150957.2822 137609.7042 138921.2151 130324.1373 168798.1426 197938.2681 180280.8734 130484.0895 189744.8326 183038.0069 181788.5905 167666.0982 35.09863529 26.55709991 38.3445609 32.98245262 37.032925 45.69672807 41.27198631 43.05404233 50.08776893 49.38145533 55.5277416 72.15823348 41.46855667 63.10696204 41.63055621 75.88232068 51.93855343 39.53250675 SM24:2 24901.3172 20274.3553 28300.1778 26373.6729 31097.001 37427.1912 46825.167 39770.9736 45611.2155 40491.7493 45409.7974 63091.4799 63963.9914 39085.3391 47818.7756 61615.1392 53163.5404 59064.9994 6.470967948 5.645199804 7.18253152 6.743857728 6.691705688 9.223745561 12.67407582 10.80192004 12.00806254 15.69839199 13.50411232 18.31701183 11.13160476 14.65821489 8.622269982 12.39863217 8.462122913 6.626457553 SM24d:4 261.3423 917.7486 533.6993 1226.3774 1721.7799 1683.8261 980.5399 749.8277 966.2597 837.3586 2213.7331 958.7759 541.5836 822.9482 101.7466 567.2202 611.8718 982.7158 0.720803886 0.766250106 0.641726891 0.780856826 1.338906657 2.134686619 0.59409972 0.884213506 1.582238838 0.907270102 1.449061849 1.18161145 0.43811626 0.725015245 0.489805008 1.256295197 1.338593048 0.698662001 SM26d:1 257.6815 366.4401 671.2346 626.6007 652.7285 789.5673 570.7607 1183.2826 1161.6008 1141.1825 741.673 1653.4781 999.7502 1267.0506 1596.3136 1627.9151 1695.1151 1451.0827 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 SM26:1 1394.0282 1221.8564 1450.6613 2605.2255 1938.3108 2494.3586 3660.0505 2419.4896 2845.1678 4950.42 2830.1415 4840.2247 3774.499 4123.5824 4007.5248 4201.0452 4458.7935 3555.1026 1.249824426 0.487353778 0.39601155 0.471528408 0.380139528 0.44771539 0.614987231 0.501742263 0.665770264 0.414090106 0.528410364 0.964369083 0.678437192 0.822180381 0.662654527 1.219678794 0.789600909 0.708462243 LPC14:0 243.5838 297.5149 324.5635 341.7585 368.3709 378.3546 363.8977 263.1585 272.2967 224.3735 436.0687 503.7966 390.6078 247.6458 538.2709 386.403 481.4896 493.767 408.5646126 255.2565559 339.3335156 293.844295 298.1999306 180.8978864 268.8804861 258.2482006 95.33335273 284.1520741 78.04373871 261.9097479 42.65638649 158.4797087 74.00690361 17.67586168 43.90656543 27.33369538 LPC16P:0 168.2935 164.9487 214.9733 189.5614 271.193 181.9108 247.8306 389.141 404.6333 296.5771 435.8946 341.2862 334.9196 379.4483 694.2076 285.7549 248.7532 310.3852 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC16O:0 1038.9926 661.94 999.3308 1258.1059 1443.9882 793.88 1121.2308 1210.1583 1278.4847 1191.029 1318.5733 1559.6491 1719.6715 1083.1085 1267.3852 1351.3714 1266.344 1172.7396 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC16:0 62585.4571 63565.7024 93407.5768 72410.4809 75500.2639 94003.4169 92871.3467 93759.1487 101579.4112 79838.2515 124405.064 150638.4754 108491.0771 94859.8366 116500.25 110502.7692 110561.2059 103288.8475 7926.340777 5574.244602 8416.619549 8388.222772 9207.127068 8567.70636 6618.006551 5644.47733 5532.627345 6960.44989 5501.825915 7283.262077 5016.066298 9786.204134 10026.35525 7088.000536 4764.601071 4137.867511 LPC16:1 2337.7756 2765.9992 2791.0157 4463.2908 3176.042 3018.8485 2311.2487 1910.726 1849.0571 1578.9376 3211.1297 3459.1075 1667.0891 1179.9235 2351.014 2015.0602 2037.4046 2941.596 300.6044957 217.4556669 333.6000651 182.1264489 145.4281059 322.9758247 277.3310373 464.887616 80.0811991 213.2533612 133.5000418 217.6953898 113.0615117 232.9099744 271.9848356 126.9526243 95.10274458 84.23723551 LPC18P:0 922.245 478.6916 972.4397 1239.941 920.915 1049.7961 802.0599 1102.1757 1213.9622 1130.4809 1538.0239 1677.7551 1267.7758 837.1951 1496.9937 1187.1734 1268.0082 1173.668 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC18O:0 239.7685 166.8104 237.2932 263.1901 287.7131 246.162 196.7698 297.1702 280.3258 320.585 460.613 519.2254 226.4635 193.2371 360.5505 433.7793 392.7815 326.806 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC18:0 60685.9019 71285.2085 98427.7415 83869.736 76901.0136 125926.0851 81890.2401 115411.8348 107413.759 119352.6597 123992.7582 182382.4463 93851.07 85087.4686 145372.3986 142121.9507 133855.7589 122449.2776 10801.11007 10182.74864 8561.03808 10034.3015 12074.69507 12563.14592 7216.989428 8085.170478 6474.155488 6246.647337 6110.485007 9235.547626 5372.127681 10148.93446 9031.271824 8475.574993 5545.9294 5727.948847 LPC18:1 21621.0257 23553.8181 24201.449 32278.147 28357.8088 25617.8238 20301.3242 23569.0666 28118.261 20266.0739 28129.2351 39220.4055 21399.9855 20116.2453 30706.8343 24863.2136 26770.0174 24169.3746 6518.25985 4395.478347 8000.997694 7703.472946 8241.149623 6259.1501 6643.336144 6633.180509 3893.662001 4064.459364 3832.863652 6273.788613 4020.99639 8173.408469 7470.328518 4447.407548 3002.391643 2846.215637 LPC18:2 23658.0565 17041.3034 24378.6735 25107.3782 22496.6711 25167.4205 29496.8742 25007.5449 39638.6166 27638.2545 50117.5103 53891.2996 34839.0513 33267.8475 40462.9758 31783.2498 28612.1039 34191.8034 5654.146373 5523.821774 9483.315479 9059.247182 11754.82823 8925.375626 6756.82095 6654.525672 3407.124387 4220.494296 3504.784123 6831.81834 4092.663599 9660.631492 8594.863532 4320.521043 2867.899382 3020.379126 LPC18:3 1143.9501 1444.7941 2352.0929 1945.7517 1923.8556 2923.8699 1695.3584 2794.4851 2899.5671 2476.3844 3082.0022 3964.6052 1752.363 1270.2656 2455.5857 2942.0398 3039.0406 3356.5418 186.5266733 153.9525069 181.2507903 300.7918116 367.4668776 422.9003978 249.1504095 335.9466728 518.729074 472.9685815 305.259525 306.4095043 289.0054442 475.0192623 466.528528 564.9801895 320.2371567 379.561184 LPC20O:0 431.4454 88.3236 581.8279 523.589 256.1437 440.8981 142.8333 135.7712 298.8067 273.5897 343.1954 435.1105 138.9454 61.776 249.4189 276.204 247.3587 208.3134 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC20:0 530.9996 395.8868 777.6046 690.0583 538.053 614.917 314.6338 579.4823 800.9126 446.0815 557.8384 515.9125 383.8813 365.711 645.103 491.7116 672.1044 369.6342 23.7077263 48.5116353 39.22222164 28.81254314 59.93650122 83.19572015 19.76595378 16.09669759 19.41525347 24.14045487 31.53434893 26.73672772 7.152061519 41.85137137 18.41987623 22.34515422 20.89296851 11.26036868 LPC20:1 247.6507 1205.0831 1396.0781 2506.4144 1832.7517 2134.7648 338.2179 2191.1961 2315.4438 1530.149 1557.1423 2157.1366 441.4857 22.2763 1459.5411 1237.1272 1316.3311 1120.8185 51.80696726 52.68224564 65.98232957 58.58577229 50.54246759 103.3376521 62.76414214 63.65260162 78.67827987 72.4232315 85.09841655 86.30835209 45.13284132 61.41125824 46.24680663 84.4832319 33.38326269 33.19928484 LPC20:2 567.479 681.8418 984.1913 838.7383 944.0801 724.2015 494.6971 536.3025 1181.0176 352.461 797.9398 737.9964 860.9206 385.81 946.5358 487.4787 417.0945 534.2173 119.1451128 55.35130996 74.21633012 104.2920655 71.38433851 83.30522846 103.4421084 77.45315543 34.16373825 52.40531366 76.36434346 105.1212586 73.34267324 89.68035077 94.40715797 65.88365833 59.13827246 25.5062863 LPC20:3 1650.6717 2480.264 3865.126 4109.9205 3042.3144 3960.5724 1624.115 3337.9156 3219.1933 3664.8846 4281.6956 5421.5414 1653.6636 1594.6929 4869.0202 4576.7697 3196.9832 3783.2008 889.6448259 811.3848248 989.7177872 1164.852684 1417.659678 940.5854998 813.4621459 986.1193539 725.8617504 460.4583797 521.0094983 772.8365073 701.8926688 1205.290792 1311.689147 1142.83423 700.5975776 738.4360779 LPC20:4 21056.8544 16477.374 28001.433 24941.8555 24864.8477 29735.1169 21591.8588 25797.0577 30573.4959 21358.7498 31591.2625 44560.177 22757.9294 27655.7639 35956.2231 36075.5363 34687.3698 35884.4928 13411.22383 15316.35841 11344.83404 13334.75263 18015.97387 13292.29147 8164.001962 10219.98796 6272.986225 5478.780774 8012.842933 8689.856983 8232.90676 14830.70869 15462.00685 9638.478322 8069.838528 8106.431646 LPC20:5 493.9476 518.616 719.9267 844.9327 728.5222 686.1751 1141.0738 883.6106 1182.9137 1148.9683 1812.237 2172.7112 1019.1705 954.35 1367.242 823.4851 811.8999 999.6393 303.609426 274.9287912 262.2554832 387.7929027 408.6363612 231.9451637 227.4931745 246.6636052 183.1136028 175.2698669 118.3139963 212.1984802 207.5981947 441.2494842 331.4304395 226.2642276 60.82840092 145.2878822 LPC22:4 116.4467 185.7766 185.7766 329.364 281.562 122.8821 81.9934 170.682 350.3559 77.6536 169.0673 225.4035 192.7648 245.4989 157.9077 56.1342 57.6956 94.8232 154.9825973 148.9369413 255.9181167 274.6713627 275.8038579 159.5809136 228.0612263 304.8516138 279.7974025 241.3464331 300.559572 340.3753973 316.513121 741.6609476 525.7999704 317.5829785 169.270961 183.8916964 LPC22:5 442.2517 292.8292 318.3819 506.077 476.3497 140.2068 350.3022 249.0898 246.4767 220.3573 242.4247 285.2357 182.6473 280.0721 78.0766 217.6387 200.5745 334.0758 317.0869439 535.9160214 517.2191157 492.4657628 722.248736 514.3284911 619.1026561 370.7407164 354.3885134 224.2565512 298.833127 490.9346715 376.3922047 599.3215321 772.7124534 646.750102 430.4806226 271.4217432 LPC22:6 3132.4675 1826.7124 2935.0392 3121.9112 3433.3833 2550.237 2490.1572 3168.7079 3810.2046 3433.3714 3340.5912 4685.9729 3554.1685 3840.0203 4264.0854 3059.7308 4235.3428 3799.5224 2049.303783 2377.660205 1640.376445 2188.385747 3271.595705 2763.512889 1887.692267 1661.745605 1631.946699 971.8808514 1733.159743 1428.064867 2208.801095 3175.825752 2634.249126 2058.340559 1508.866806 1295.285426 PC32O:0 19.4969 13.5798 22.62 28.8482 35.5582 28.7912 16.1021 19.1359 17.2816 23.768 31.4995 31.3547 7.3422 7.9108 17.2133 21.4088 15.6677 23.4593 1.626644886 1.511393719 1.245349673 1.501520907 1.370003993 1.743486005 2.955932255 3.812055823 4.703431084 6.342945495 3.270584074 5.062185821 2.742023419 4.173185037 2.605172911 3.283302229 2.061913597 1.400711372 PC32:0 156.2715 107.4295 246.3389 167.4449 193.1986 168.2189 202.2125 191.27 187.5019 225.0721 249.9603 271.0625 88.3948 91.3039 155.8142 165.32 157.237 189.4997 35.93240115 29.95760587 31.63209655 33.49771004 45.37652631 44.03314933 37.20533112 31.34516295 51.68996624 52.43971487 40.58442329 47.79105447 32.01854434 51.20959283 34.0700624 47.48133723 33.68747828 25.65282222 PC32:2 41.2434 41.778 37.2101 43.797 35.2178 44.2727 38.8767 18.3756 21.821 29.9828 34.9452 41.4117 14.4596 10.9002 31.423 23.6413 31.9147 28.0204 1.643511696 0.99324761 1.410886894 1.963747211 1.711781562 2.289514269 2.929824684 2.285282493 1.805285294 2.805111989 1.926624677 2.9939354 1.456362939 3.099018027 1.567362832 2.681610468 1.295879236 1.688240002 PC34:0 129.58 92.494 203.0269 137.8134 152.2762 197.3866 153.981 221.8787 183.9759 234.6675 248.8977 329.0626 135.1621 134.7461 197.1017 219.494 213.4167 194.0023 15.87352945 12.41145634 8.936542594 11.13278524 13.66671751 13.34538019 17.3717787 14.75372277 21.24477364 30.39014045 19.53283384 25.04505495 14.98699823 22.88489257 16.9724047 18.03549596 15.82701273 14.06131961 PC34P:1 9.2706 3.8414 8.2455 12.6428 10.9665 8.1277 4.7758 5.9107 11.66 6.0086 13.44 8.898 7.159 4.5802 18.8996 9.5679 9.4013 7.0296 8.932749352 7.183296329 9.370410744 9.668926965 9.417054799 15.67289984 7.759960405 7.855461523 8.002287351 8.755201921 7.637164646 15.47028411 6.696739529 11.3343391 9.074444558 11.30483768 6.89534196 6.656363511 PC34:2 1333.0712 1380.5821 1197.6104 1507.0142 1390.5024 1639.4288 1483.382 1561.6422 1682.7166 1831.7996 2355.3662 2288.8743 1072.1093 1086.5908 1748.8573 1850.3167 1645.986 1789.9278 106.8091457 59.80675524 83.52742783 86.18868101 127.4555096 121.1112848 88.37238141 96.38725753 89.20945463 102.1548951 76.46308356 112.1760583 73.2654664 99.65270263 66.32606007 100.9121724 84.07424345 75.24962704 PC34:3 173.3519 157.2328 142.2121 171.2595 164.0258 163.2064 144.0002 86.7598 81.4997 108.8581 135.9363 124.2217 50.7322 37.2108 109.1991 132.7071 111.4536 122.1019 7.988942453 3.689683811 4.721413657 7.794579421 4.919927465 8.100712403 9.162041135 7.769850845 8.850274119 10.71835828 5.276802341 10.27176703 6.85848235 7.22938446 5.42660907 10.64480554 4.117281487 7.309476493 PC34:4 17.6042 19.1938 18.5642 19.3747 18.9107 28.9411 15.9761 5.4348 6.4659 7.6043 12.8387 11.9731 3.1913 0.6457 9.0634 8.4844 9.2607 12.0441 4.152627778 2.911521386 1.882514495 3.442374133 3.952409449 4.707379854 2.876151474 1.363027084 2.639084855 3.292783758 3.70953778 4.824538383 2.421196354 2.828880505 2.3867213 4.416965679 3.019636365 2.907247274 PC36:0 24.4281 16.5753 27.7345 26.3107 22.9664 26.6157 21.1938 34.039 31.936 30.1568 47.2433 56.7156 17.1464 18.1497 46.8508 31.2257 44.1088 35.8011 1.302985044 1.200600096 0.925140233 0.808224974 1.229048545 1.452558551 0.997902627 0.911697241 0.839840292 1.689952742 1.450865212 1.750664508 0.59011516 2.123047066 0.924939834 1.972561255 0.925068554 1.136420446 PC36:1 498.1992 333.2997 352.2667 481.5493 407.1852 496.7404 332.8098 389.7368 275.2477 470.3283 448.3346 627.8867 231.8438 232.2656 604.4938 513.6452 496.5 428.9858 173.0533068 125.3401782 142.1453956 144.3519302 150.1314045 179.7193131 149.0325167 146.4570837 158.6206659 158.2730237 138.1958997 193.6276596 141.7625248 159.5149588 122.1043254 191.567409 139.1723365 134.2604069 PC36O:2 6.7365 4.0848 4.4801 9.0923 8.9749 9.382 8.1561 4.0666 5.5859 7.605 7.9731 10.7705 1.9444 5.3357 9.6945 9.3474 9.8968 7.4384 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PC36:2 1232.4033 1155.7402 1155.9301 1338.0568 1507.1218 1557.1557 1514.7709 1513.6664 1518.6545 1873.8552 2136.3878 2351.2807 1060.6807 962.9631 1551.7428 1649.5354 1455.5331 1644.7492 232.1220063 158.8200245 209.2393814 184.0702534 230.1863581 227.6758161 183.8243633 191.9589632 168.6508735 171.0245826 131.25442 205.0582332 136.9733977 198.5415947 143.4612299 203.5220973 139.1746979 144.9321786 PC36P:3 112.283 36.4129 63.921 75.4999 75.0177 73.9429 65.5052 63.8227 66.7502 82.8293 102.0688 98.4572 55.3687 36.5183 111.1628 88.3591 91.5349 94.3231 1.849320038 1.020094229 1.305318528 1.543810751 0.861472286 1.32580493 6.011937454 6.429956362 8.699446785 12.66382746 6.281557494 9.276356766 6.736518059 11.49408225 7.358402347 6.642124022 3.940833185 2.819201891 PC36:3 357.012 334.7303 369.248 444.1941 420.5347 349.496 263.4465 291.6281 316.8985 305.2153 461.5439 424.1326 177.4077 139.8656 361.374 283.4532 324.3674 306.3628 83.38198003 49.77188991 66.90347661 75.00584592 90.27553163 92.1633757 54.53637378 61.99281964 68.77036213 71.90670559 53.02075482 83.96571159 49.4081571 73.89433604 58.738682 72.84161867 50.33322344 57.68289744 PC36:4 1262.6888 1212.4733 1247.1015 1181.2145 1239.3067 1574.9557 1158.4736 1236.6081 1228.654 1374.1546 1670.016 1719.9537 530.3353 590.0951 1466.7731 1551.7335 1392.072 1415.5978 235.8352276 157.7169725 170.868563 206.2938914 255.9077422 259.377117 137.9860425 157.4123819 160.3527259 138.7652422 154.3752424 166.6517919 156.3919698 163.1551759 124.4547901 195.719809 169.3519616 154.0732539 PC36:5 221.2754 178.5977 145.1202 167.1123 160.833 155.0362 131.3094 64.2744 55.4027 92.033 151.3397 136.9649 26.2937 33.0734 80.794 89.1309 83.245 101.5638 27.07684318 17.16815149 24.79635604 21.95315872 20.55788168 26.82392899 13.65941655 13.52005641 11.16368613 14.21257952 10.41296905 21.22755549 6.740455386 13.10325787 12.6730235 19.31914958 7.882163938 13.43723599 PC36:6 16.4618 16.1336 18.9202 18.6686 24.8172 22.2672 14.4073 5.6251 8.5228 5.8701 12.3565 11.9973 2.2287 1.0777 6.4604 4.1605 7.9485 8.186 5.598129113 5.044127739 5.216319618 4.267695431 5.875800014 5.419004521 5.566133578 3.217179077 3.025623438 2.294186987 4.777150219 4.837017718 2.726351871 4.302364802 3.654981078 9.524188781 6.83718296 3.983986738 PC38:1 15.7752 6.8237 10.025 22.6077 12.5193 17.1652 10.448 13.8648 12.3597 12.917 16.9535 20.38 6.6786 6.9595 19.2251 11.5519 21.7207 12.2456 2.839523565 2.00354758 2.590925761 2.436881529 1.722142237 3.654837038 1.680609663 1.727869481 2.951041308 2.313895269 3.446284521 4.444551721 2.293748997 3.455038917 2.525196306 6.303155538 4.024114195 3.047450242 PC38:2 91.6066 67.2303 81.1196 102.6483 91.1136 93.4354 68.8294 74.4732 89.1533 75.235 94.8967 125.1824 57.6975 45.0614 95.4248 84.3724 84.1639 84.0458 11.40645814 7.404162007 12.46808912 10.00428769 11.41709229 15.98963388 8.495991353 7.047233078 8.531727639 7.643239888 9.651917814 12.26154557 8.843079242 9.809604001 7.13919666 10.64204583 8.002965685 6.649314984 PC38:3 310.8218 400.5465 431.0707 538.4203 508.2868 313.0123 209.7716 226.2235 218.1927 250.129 312.6451 335.8994 105.9178 58.0963 507.9631 280.3816 214.5033 277.0171 24.04911147 14.07449586 12.91870414 16.38771003 18.3293323 15.58141713 9.887202353 11.83865981 10.13771757 10.69668247 8.409129282 14.1890018 8.499409428 7.582238112 6.710939109 17.94715189 14.83438111 8.628824003 PC38P:4 24.3586 12.4632 18.3773 23.4763 26.344 29.5886 19.5965 18.6135 19.3161 27.57 37.1618 44.1805 6.7003 8.3423 28.1117 48.2876 37.3103 31.0656 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PC38:4 1792.3654 1579.7211 1647.6611 1434.6184 1574.9443 2005.4765 1670.2067 1702.2406 1274.7081 1472.1788 1630.6819 2009.2445 841.7414 1098.8275 1856.9573 2250.6381 1858.5215 2082.8906 203.1602155 183.5512133 125.855475 131.8940986 206.517476 175.1758987 105.1336003 134.4020504 179.3624528 135.9556073 161.1405795 134.5717109 161.5205519 158.7215091 124.3066895 196.6726147 164.988395 161.7883194 PC38P:5 4.4823 70.8976 38.4587 33.854 32.8065 36.9986 71.562 49.1055 60.5481 59.7248 55.9883 34.4591 11.6599 5.7838 37.6804 10.2534 27.0521 18.3907 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PC38O:5 76.1135 32.2645 39.2346 40.7123 55.5461 45.9425 39.8938 33.3694 43.7494 53.5334 53.6772 78.1979 32.5343 19.8167 60.4644 55.8151 73.6488 53.6329 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PC38:5 207.5254 291.4019 283.322 185.233 330.9701 271.7614 137.4438 174.0185 110.7718 170.49 163.7248 207.9714 51.8446 75.0299 220.3095 200.4102 190.8345 209.0976 30.38606261 23.82647627 18.71737883 26.30871932 37.68171527 32.20040648 19.15093281 22.79248036 24.53010051 20.98966827 23.03575933 20.48842415 19.80300957 24.52152728 18.5947535 30.15210681 28.71409926 25.8034075 PC38:6 1624.6605 1233.1874 1489.2597 1270.5801 1504.4238 1535.5152 1500.7347 1356.7822 1399.2014 1607.0992 1606.0765 1961.7851 749.7247 771.7502 1611.2852 1634.3431 1645.1551 1599.4196 194.5716588 158.8866929 111.6194038 144.1711095 185.2266683 184.834109 106.4464218 103.6820533 135.2627625 95.93764953 119.7622786 121.1963398 117.6256394 126.663846 99.28451496 181.1155721 163.3312066 122.6969697 PC38:7 110.6673 73.3622 83.9039 87.6591 104.1002 95.9741 68.5054 47.0307 50.4187 55.2772 90.7459 82.996 15.1572 13.0637 38.7738 40.6537 39.5304 41.1994 37.3921072 31.61977669 38.72338038 24.45144059 31.51728748 34.23370979 12.06637435 10.27335216 7.240592765 7.340592627 9.743865563 15.55887245 6.023797724 8.178495965 8.871328063 16.87558227 10.55770961 10.31794521 PC40:2 4.5578 3.6262 7.3073 7.8887 8.5946 10.5098 6.3088 6.9829 10.8674 6.2527 17.8322 19.9105 6.4271 3.3383 11.4975 5.0459 11.2503 5.1399 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PC40:4 57.0542 41.3058 50.9693 58.3417 67.8165 96.0455 39.2678 62.2309 55.2139 57.3022 51.8942 90.4202 30.5862 34.3727 74.4214 76.1294 71.9999 58.7841 8.229917952 9.357245867 6.447377291 7.570552786 11.11172513 12.77095507 7.060237012 8.552841238 14.82097003 13.78937819 12.85987657 14.76140385 10.10783081 11.39367723 7.756902245 12.09157267 11.17251729 11.13466137 PC40:5 97.5932 92.9013 94.7768 87.5591 70.1516 114.8669 57.3681 32.2747 16.5297 17.0663 22.034 23.2207 22.3184 23.6271 28.7843 35.6122 26.9404 21.9377 2.33063717 4.42163973 4.140636499 5.555830417 6.774771646 4.514064851 4.897265838 4.932462979 2.152481777 4.597024095 5.6258467 5.323809847 4.876185535 4.69972321 4.018598301 3.411506517 2.708912398 5.394738754 PC40:6 746.1807 601.7442 709.1 526.2524 702.8475 794.511 693.3266 870.3724 648.1787 893.4788 688.8633 1113.784 511.2819 440.115 934.9597 693.124 1015.311 801.4889 82.24922872 67.41473142 46.9447188 58.25743329 75.28628261 80.38879635 54.27245826 58.57065093 79.60231296 50.77048275 78.31337305 61.61439735 75.35245082 79.12886601 66.86517334 96.41117146 87.2121796 65.47770721 PC40:7 63.1506 72.2259 76.5806 56.403 92.3379 59.5545 32.9227 47.9925 38.1079 42.5097 43.2992 46.0418 15.1681 15.1641 70.084 46.9313 61.3795 48.196 7.7068225 7.107265369 7.882689405 10.01974197 10.45621606 12.92743579 9.329932926 8.021600912 10.50323074 6.260412689 9.991948806 8.583139799 7.603211124 9.938780933 6.810734114 15.09919333 11.35901274 10.49236906 PC40:8 304.673 219.1203 359.8544 292.1218 290.762 311.6895 231.5074 260.5322 229.5485 246.3921 304.252 425.0051 132.6591 172.7072 321.9042 251.3773 242.2629 232.4206 73.50300358 47.28467926 42.77191372 46.12703651 65.169461 60.83543649 22.7862619 24.93537631 34.78933828 23.32679631 34.83031712 33.06565269 27.65311944 37.17673086 28.78762666 42.78075032 43.64300039 31.06386857 PC40:9 9.2364 15.5337 23.2007 16.0046 17.3812 20.0306 12.1145 17.8312 7.3332 16.3536 7.4222 18.3649 3.1255 1.5004 5.2724 4.2026 0.9044 5.4141 0.922417609 1.65871614 0.386335694 1.300628841 3.73759119 1.781942615 1.291653276 1.352431768 2.682095174 2.005245506 0.875059538 1.951189911 1.261717008 0.791865513 0.95548533 1.995308663 2.340661039 1.384507244 PC40:10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.368541988 3.007910075 2.974391308 2.174785571 2.514059691 3.963950789 0.815893753 0.51761744 0.491781855 0.785409812 0.597232944 1.001144217 0.66670645 0.456458499 0.43188115 1.262086706 0.688193711 0.572228177 LPE16:0 1303.0273 763.466 585.0656 622.0044 554.2011 686.3573 1314.4657 971.1436 984.9883 922.8579 1104.4687 1135.6642 6198.7813 11957.5516 1874.3957 2294.7133 1898.4735 1033.4604 218.5111828 140.2725232 169.6649337 130.4219315 92.50337317 97.98135435 104.2191757 71.17513205 77.39279874 171.4413353 64.34301533 132.0585038 126.8032949 200.8460098 137.5362197 86.55878306 70.89910573 68.99289921 LPE18:1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 414.0712477 238.2404062 340.2599694 260.6715666 90.26794535 139.5154445 197.0403993 77.88295791 69.27297162 182.5600137 58.79114215 132.5358406 237.310282 362.8850537 240.0206149 93.48822519 48.08582607 57.47138433 LPE18:2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98.6426429 74.8971252 38.89446345 51.37469492 65.9664499 80.29978752 24.84188277 29.80513962 23.66317801 31.16797387 8.443916313 50.95213953 26.0836375 31.76976455 42.54167766 45.75488153 19.95783688 24.31448908 LPE20O:0 189.0261 46.8933 168.2684 48.5915 192.4449 79.9266 251.4661 159.8919 219.5418 112.65 280.3233 521.1665 1960.6302 1979.6764 1103.5091 1567.4895 945.23 1374.2805 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPE20:3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 43.02450413 29.18465193 28.25767263 34.53929379 34.56252826 44.36163293 23.37971022 28.18841033 32.77119231 38.21462954 25.51405377 29.70523513 17.6762217 24.3057954 24.14666014 47.68208059 21.38954417 26.846257 LPE20:4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 921.8040207 763.6434403 818.931974 625.2700977 762.2679782 645.9878598 406.1772361 350.5432467 593.3527166 461.2328122 544.5420495 490.2916027 730.8997684 915.1825326 638.0022102 937.5253619 648.3904479 579.7233619 LPE22:1 157.8937 97.6072 148.5205 142.8601 118.5936 134.6533 82.4667 132.6205 118.2245 58.7116 173.5287 40.4829 767.493 838.9876 371.2469 391.5804 503.5047 337.5108 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PE20:0 176.8052 178.2316 409.0592 202.4171 176.34 967.5368 190.9264 226.8824 236.5987 225.3518 248.4764 455.3523 1880.2964 1597.5005 2805.4164 3466.6149 2262.0436 2057.9322 6.658375655 6.995234872 3.562241969 3.013477899 2.702052274 4.055069743 1.394404765 1.736691982 1.834299104 1.168860411 1.605777141 2.727086526 2.635279978 2.865832966 1.166808714 6.106246096 2.566190555 2.397346443 PE34:2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 49.07837148 49.56635522 121.2339778 109.9221327 106.1132556 173.1453834 64.43220144 78.81134135 69.51324768 49.70439213 72.26853969 116.0640675 72.43117612 96.0220651 74.81508959 86.74289385 55.93523753 49.51516323 PE35:1 1135.3611 1596.0512 1262.7328 1404.1991 1646.4254 1018.9234 590.1675 567.1405 504.8254 1142.9226 962.7901 943.6787 3476.1458 5179.5447 2658.4713 2190.1629 2615.7028 2552.0895 32.36936838 36.71351264 44.04437172 49.52642377 32.74188534 79.17068119 73.25453223 97.09851329 62.66228222 99.8250793 63.12104667 98.19615138 48.86906019 69.28155954 48.53117559 69.28463071 34.884193 42.47927004 PE35:2 2338.2517 2368.6213 2109.6391 2483.0873 1996.6875 2510.0566 2420.2981 1016.3963 1206.9677 1658.4161 1932.8983 2290.5755 4530.8745 5321.3041 5087.5004 3798.2466 5167.1134 4536.6202 21.22147894 17.90259172 30.76035366 32.15661756 24.36271595 39.13517559 45.12469526 39.92072823 31.53584024 49.00143143 33.65547164 52.29991556 26.41768242 61.24015828 27.88808396 41.02737934 19.82634302 25.88037796 PE36:2 1509.982 975.0774 1130.2199 1702.2571 951.9402 1650.5968 1050.9619 1843.7635 1905.169 1410.2087 2092.6311 2913.0186 4613.1628 6873.7287 3048.854 2737.5971 3688.7548 4543.6409 229.6964616 227.0462818 391.6473724 259.490289 393.9967223 578.4245454 264.328228 346.4965357 297.8993172 255.2666241 251.976953 381.1905398 198.3660605 235.6599702 192.7201429 350.8598613 254.507757 264.2964859 PE36:4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 68.09991728 96.04573798 167.4392105 137.4080613 171.1597079 141.9131564 69.74986566 80.69867039 76.99045857 65.41170872 111.6899616 152.5411675 78.22930134 92.87636326 76.81434458 109.2378507 98.45185718 87.68565593 PE38:1 500.6064 536.4863 882.2334 1085.9916 935.1482 1049.8987 554.9955 559.1948 578.0583 259.9593 706.4744 975.7396 2517.0421 1527.6261 1475.0107 1913.5295 2819.2218 2142.0227 31.81845628 41.4943303 54.94875976 47.32495167 46.17667305 69.51140954 33.87537814 49.39931142 62.90572801 74.87214797 51.92117661 71.72325889 37.63413916 43.01944242 37.09879921 49.88518343 36.68848203 36.6107642 PE38P:4 499.7725 336.5552 1475.1866 343.365 709.0745 474.1346 660.5011 327.5974 341.4442 667.3952 575.6202 725.4485 543.4049 956.758 2289.3649 1428.5245 1735.7515 2027.4974 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PE38:4 821.7783 897.7434 1371.3103 1192.6102 1257.6103 1648.6502 768.2962 1090.1236 876.5448 1403.2347 1075.4305 1819.4563 714.3715 2322.4689 1827.8053 2562.2317 3565.9089 4449.0589 372.3216517 445.1814192 504.578772 354.9923992 557.8112546 569.8021915 296.3673749 523.3495957 585.8036227 466.6892508 511.2847662 556.3562321 404.3112674 525.1978862 349.0657147 581.7118863 469.0826084 392.1837002 PE38:5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5.079582054 68.87625282 15.20123917 3.546106803 65.56879814 94.41302444 54.40876786 82.73348464 91.45384671 56.42959269 82.93951975 91.1088809 71.20517382 144.8143209 59.45792773 82.54302801 53.71380025 57.97334462 PE38:6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 143.5478065 142.8118276 177.2344859 150.0915129 195.7513297 245.7723701 84.82661178 192.635978 123.8853472 63.90277672 129.7612117 105.505115 81.87438575 70.73070614 88.75362228 155.833802 136.7885655 121.9519269 PE39:5 12548.5845 10125.6662 8227.6463 9476.2164 9118.4884 8789.8355 8211.0946 3555.1608 3064.4482 5094.5961 8370.9432 7576.7537 8239.0809 16149.6264 13080.8635 14430.6446 13477.6979 16444.5885 349.6237103 309.4438925 540.6136272 359.4858468 292.5874675 458.5073723 210.380168 236.1767086 195.0141751 248.2741307 181.9001846 370.8160704 122.2684298 259.3327237 225.4910836 295.5739053 120.5934023 205.5833928 PE39:6 933.2873 914.6983 1072.6868 1058.7517 1407.0221 1262.445 900.9206 311.1393 471.4166 324.6863 683.4652 663.5965 698.3649 526.12 1045.9638 673.609 1286.8988 1325.3494 72.28459606 90.9168656 113.7269309 69.88407116 83.62658526 92.62824713 85.72870688 56.19967421 52.85346182 40.07627744 83.45021509 84.4960176 49.45463523 85.15012021 65.03307154 145.7156103 104.6056846 60.95312393 PE40:4 2494.4163 2400.8127 2228.5851 1610.598 2086.6233 2651.5286 1533.4112 1767.2394 2152.1306 1564.3469 2031.7364 1813.1101 4429.4821 6801.703 8508.8189 7123.4468 8205.5068 6563.1812 161.924021 180.4876239 111.1042942 157.4180187 136.1616539 150.9166068 102.7143279 145.0957088 191.0927325 143.861231 200.635664 107.9349816 139.6147752 200.0454097 121.115995 107.5754882 99.85723765 131.1714772 PE40:5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23.64754805 20.5262634 30.04043158 27.93882628 51.85528108 46.68979962 18.8020571 40.51061628 70.36823045 27.98267432 47.00979877 41.88290575 43.86253826 25.17415113 24.99561698 51.14096604 51.45029341 54.80988782 PE40:6 574.3387 332.627 578.543 547.3368 576.0114 632.2045 278.7077 288.6588 399.0957 294.5596 373.7733 428.263 683.2435 1669.7348 1300.7604 1071.0112 1685.3524 1273.2375 241.9663727 286.2833748 271.417583 248.7534825 329.4619255 392.6789054 200.453662 202.6245622 294.4543677 139.1408642 254.0249457 218.7015947 262.3458848 317.934264 227.4385996 265.1136108 283.8327451 223.3433835 PE40:7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27.8414781 13.61969891 26.07878803 21.35949818 31.36891857 28.26657932 10.33849175 26.23214074 23.15313336 21.58646452 19.33405308 20.5614842 14.51511786 25.41489589 23.74140793 42.91164638 30.82213002 29.10805447 PE40:8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 165.7614244 168.6842335 135.8444585 182.7334575 148.7253577 191.9043457 63.70410917 59.60394031 117.3328569 36.56354762 95.69050618 65.46675824 101.1295718 124.7463424 103.5302058 107.2491404 106.6532662 104.5569832 PE41:5 11765.4445 16521.1719 16063.0476 10501.8541 18777.7822 15407.6137 8563.7595 9612.0873 6124.893 9432.0208 9045.2369 11503.3724 16245.3914 36642.7231 35668.9879 32447.2013 30875.3686 33853.7371 392.3532697 429.1000609 408.0789147 430.5585884 536.3002769 550.4086954 294.9596308 397.4951538 428.6894341 366.6605093 402.4028934 357.8407687 359.2165139 485.3170505 330.8564146 461.3130575 439.3122181 394.7800026 PE42P:2 445.877 257.5498 325.73 537.5777 474.3373 925.2615 1000.789 1257.2396 1274.7498 1476.7703 1332.9193 1705.4001 6764.6392 6356.2685 6269.4329 4070.5751 3690.3918 3281.8966 2146.902663 3376.52251 3620.871072 2252.538583 2679.437183 4270.821176 2085.32533 2242.462177 2214.974964 2011.789499 2686.919309 3517.91877 2860.788918 4104.649868 2718.251092 3429.424772 2499.775009 2638.337168 LPI20:4 82.1673 87.5249 38.3098 19.2783 66.6395 64.0183 47.3782 119.7508 84.5773 110.7312 116.394 62.2921 215.5122 155.7652 572.1397 419.5119 324.4125 298.1212 3518.571794 2936.492866 1949.002735 3751.683643 5404.518016 3500.752159 5642.446222 7490.618459 5187.828782 3690.898537 8838.25993 6694.683293 2004.281227 2228.457429 2723.456529 3355.470329 1210.639652 1685.000723 PI34:0 42.7566 43.678 42.9481 53.0806 32.7973 43.678 33.1045 31.0477 29.5153 45.653 67.0707 156.8053 19.1189 7.0597 32.1434 21.4047 12.6559 21.4047 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PI34:1 60.9291 66.6738 123.5444 130.5869 115.6358 125.7248 64.9847 173.8583 137.924 194.1194 230.6161 175.1251 33.8437 31.5118 110.86 51.9457 107.0257 62.9821 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PI34:2 964.2939 928.961 962.1834 1017.4253 880.0392 1199.2701 1836.5383 2306.9365 2429.4966 2711.6415 3146.8179 2373.3898 1332.5516 1275.6929 1144.2811 944.007 1189.2894 957.7385 104.0538375 313.0305781 171.0697129 199.4300398 354.4599515 392.3467592 335.7722021 325.5698135 601.1513873 665.1638541 653.478916 1071.333672 110.3689816 160.4228481 127.8376141 319.8754446 115.9987107 198.6574545 PI36:1 52.1028 46.0093 46.0093 93.2473 28.7639 53.8293 46.0395 59.4706 62.5056 42.5098 69.7422 82.412 33.5653 27.2853 29.8931 16.1842 22.0576 20.3042 21.40491621 27.71602135 22.30841599 22.57081332 20.91684931 54.97102994 216.1665105 179.4607071 395.1839411 582.6451843 292.5790277 457.2374377 67.83144555 87.9412778 87.79416065 158.369787 56.65802629 88.18911762 PI36:2 381.9338 893.8707 945.4378 1061.5009 799.2739 1274.6055 624.3589 2507.1153 2092.6256 1984.5843 3290.1093 2015.4258 478.4147 378.9706 1057.0346 801.5728 1254.729 670.8316 829.0479523 822.0171537 912.1853715 1018.751296 1440.671093 1982.761058 1637.489878 2135.763763 5055.671613 3316.861939 4497.876572 5580.489638 834.7022464 925.5252961 873.658101 2057.232536 938.7917889 1374.812482 PI36:3 534.7694 575.1494 451.3582 433.9426 383.4422 28.5928 659.43 660.1875 720.7753 560.1509 922.6877 789.0092 397.2201 306.7235 632.6361 326.0133 443.8604 349.6389 207.8463769 252.7025365 266.521024 364.7030757 362.4116561 604.8240741 918.9398904 910.922336 1453.571138 1240.872479 1640.124998 2488.694928 264.1678407 358.9369816 353.4139377 942.4871438 328.7768061 806.6778951 PI36:4 3911.4754 4451.8532 4637.5593 3463.2124 3852.3123 4637.1802 5956.9771 6781.4951 6120.7836 7570.1178 9301.7031 5863.7514 3780.3444 3672.2141 4719.6946 3676.8179 4894.6433 3309.2772 580.6879871 651.7605409 724.4064257 737.8632221 530.5865335 1365.130357 1166.005493 1310.211761 2421.934439 2187.659868 3146.296723 3674.019422 414.1650296 535.6210793 535.5516359 1863.510569 585.2490238 892.9956176 PI36:5 68.3813 68.9496 61.888 51.4154 90.3827 43.1635 80.8877 69.632 70.226 151.6554 167.6824 58.2863 21.119 20.0496 43.5664 25.3406 49.8208 23.5071 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PI38P:1 17.0544 15.1782 23.4267 15.4575 14.2049 3.8524 13.6815 18.3583 25.7614 61.2863 43.1256 33.3641 0.9651 14.5796 7.5759 4.4107 7.5759 4.2609 53.28714598 66.01964066 27.14431192 32.78413024 10.43006859 11.70765109 5.573759298 39.18036449 19.96111694 5.962538909 17.89295685 9.918412568 2.003944736 1.060237526 4.354134335 4.151193853 3.564275474 6.231820867 PI38:3 529.5237 1411.3303 1717.1146 2677.5012 1739.4229 1496.994 711.5326 1562.5138 1289.3456 2081.5944 2045.2304 1082.6917 146.7289 972.2154 1658.1685 1368.3959 1015.5805 1051.5617 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PI38:4 10170.8845 20012.5326 462.8143 299.8485 16508.8545 23617.8627 15249.291 37508.9231 19778.4238 182.5152 22497.5482 800.3608 7762.7777 7211.7835 715.5451 17674.6463 48.3717 15222.4917 7596.169356 8261.259951 6439.833611 6808.781756 103.7160938 11274.62996 156.6451367 6940.725415 13165.6464 212.7923268 990.3995298 20146.6803 4435.037262 89.49646153 5567.615976 352.9666911 386.9327887 112.1593757 PI38:5 1499.7707 1301.4591 1351.3602 1054.8516 1088.7697 1076.1401 1038.806 1369.3033 1395.9459 1050.3663 1089.6835 868.9933 819.1234 654.9132 911.5825 685.1567 1197.9886 749.2461 575.8408053 726.4478725 680.4227021 843.4321023 738.4334 1380.701379 1434.710085 1509.19305 2329.148573 1650.617534 2965.028456 3169.470265 491.8387075 664.9595341 707.7694971 881.347155 899.7394593 1023.83053 PI38:6 421.1444 372.5907 460.8769 182.7193 325.0428 380.2761 486.3771 580.134 615.1269 862.9215 1204.4062 517.2819 270.137 315.2748 420.9195 228.0455 417.017 194.6414 370.4816589 341.8123894 516.5252183 439.0901504 377.1138235 771.9100942 613.9930263 593.1290299 696.9487108 586.2046718 2517.009124 1688.872595 190.0714058 232.1584759 271.3649215 2643.876262 409.8418573 520.9271186 PI40:6 811.9427 1260.6244 907.0298 704.3215 871.7208 1153.639 837.7333 1466.5966 1065.6168 1143.1309 1224.4819 696.3429 640.5958 627.375 774.0368 587.2157 823.7663 605.2382 221.6176735 189.0511953 111.936391 130.2123996 109.0508881 319.0698294 353.4869188 336.6158213 965.5825093 491.6446791 1301.306661 804.5962293 182.9321706 214.4749773 226.2536727 882.7126369 457.7951989 374.1154885 PI40:7 21.9634 31.8228 23.6528 20.0037 12.0058 23.6528 17.6799 17.2719 22.3756 14.1227 20.1021 20.2847 11.4157 7.574 15.7436 15.8187 24.2464 15.8187 40.02140599 37.3912391 40.77794745 56.3044684 30.12254236 91.25309136 102.3898126 66.46155882 224.7675603 75.80770591 335.257357 244.4911217 34.92895611 51.46889439 60.18550062 495.6115467 118.4643587 156.6987754 PI42:0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 77.34769214 34.66227008 42.73876982 56.35945641 139.0917631 46.63343144 71.36537532 50.96726105 58.97552258 46.45070694 47.7666417 62.98883367 20.71994514 21.15246256 27.05480795 31.62276582 13.62639064 37.0632594 LPS18:0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 148.1099517 166.4556691 232.2842336 208.2735102 184.621033 205.7965232 243.4873079 214.4673479 296.1263487 448.0798719 318.0315985 346.1558298 187.6297358 529.2241169 350.3641568 231.7554662 185.3524039 145.5826923 PS40:6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.078004873 0.051719979 0.322937114 0.407478923 0.453775493 0.909676782 0.640049102 1.01226536 1.050524816 0.464136495 1.641258786 1.699553206 0.974988498 1.694173128 0.624476069 1.476383966 1.011582439 0.832718709 DG34:1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 334.1004455 225.6211325 150.147838 276.4596753 9.101401512 11.787344 191.5170647 19.94104091 4.139209304 32.25055945 4.558071303 21.87725359 190.8650204 344.2391468 209.0367062 201.5063811 3.70578415 162.2388116 DG36:3 178.5054 251.4783 363.3337 157.1888 334.9778 301.6019 105.3908 50.9697 81.471 193.5045 152.9811 205.3967 45.3598 91.7996 75.4814 119.6563 100.0781 162.9142 92.2711286 66.37079479 24.78095479 71.92326889 33.31989945 29.58507949 38.98492018 82.13975203 46.08840552 170.3028681 22.24194298 90.94075772 53.21812882 58.34454569 32.62066406 28.92834911 20.97637067 20.08266658 DG36O:3 410.1571 550.696 434.7101 410.2117 547.7784 469.0977 662.269 490.7787 582.1606 550.9164 412.3004 563.5935 131.8034 174.6994 160.2526 159.5888 159.3307 172.3141 46.17878234 24.28133489 14.1991954 19.67289738 18.97909887 19.98006648 18.81362094 22.8661375 19.13816623 17.32495283 16.56190476 16.51847761 38.69461167 46.18727453 26.27451808 39.31398856 36.59297997 28.61034735 DG38:4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 809.1585885 587.7890675 321.4883136 432.9111696 354.8271279 275.5595364 356.8203095 357.3170552 218.7046765 210.6760864 227.2046072 312.8106987 448.1294521 673.4645585 399.9964138 335.2803942 265.7371979 206.8297378 DG42:10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24.43970542 27.81884899 18.58038611 29.70226499 22.68839384 27.91890696 32.70722249 42.99630734 36.32460459 52.42527638 36.67983197 40.90947065 46.69118831 71.93856144 26.05450201 54.92624804 41.51868382 38.08476527 DG44:10 2723.4714 1789.8377 4077.7549 2770.9603 3200.777 2784.1562 3042.4794 2793.2634 2735.5847 3313.2698 3609.8319 3976.8281 1220.5082 1397.1563 1774.7369 1870.138 1768.5433 2144.3911 592.1716164 452.8372547 330.6913809 435.5029778 449.4106256 515.2876335 473.0556832 436.161358 633.6636475 631.5403159 497.2235898 574.5574252 562.9303889 1064.573813 498.3797551 833.0360843 593.0433774 449.724904 DG44:11 344.8279 459.0301 361.414 403.8527 470.8688 293.0461 140.1228 148.1186 131.8439 298.4941 251.4493 246.4581 12.8577 138.9048 182.4958 149.3432 178.9828 175.193 40.80071145 30.34119406 22.67119093 38.79725545 22.37079092 53.76037461 53.71968584 76.40542952 43.36507601 64.76203305 43.73002374 67.95608806 49.61689237 72.16719919 39.63585726 78.69904977 39.75686034 48.20780248 DG44:12 710.6276 679.9332 606.7398 715.6121 574.2546 721.9014 585.7086 266.4935 325.5499 433.1241 504.8099 598.2235 196.2143 164.4117 348.8275 265.9609 355.5428 311.3266 26.74909898 14.79526121 14.56639933 25.19036125 16.71613377 26.57806664 36.59956597 31.27740284 21.82419888 33.91116192 24.03271942 36.1938591 25.29885396 61.77231564 22.73174453 46.44735231 22.52035321 29.46294947 TG38:2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 32.25853515 61.11054968 12.96014409 56.67948065 9.773135591 24.30917869 7.126604045 26.76743559 22.73497604 36.6003675 0.913694863 37.9431018 8.205818452 52.59248288 14.49416439 33.07855496 4.484285318 32.95099962 TG40:2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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1860.9066 509.2177354 469.3698953 265.412775 525.3301442 161.5513053 436.4152669 356.0617447 759.1731481 632.1424159 1687.660921 212.9398823 1166.849924 571.1001783 928.8788774 501.687405 1127.342424 566.9675278 291.8906292 TG54:4 10680.6991 9007.3851 12190.6751 9195.7078 11182.8117 16679.2118 7133.4594 8490.2486 8713.2956 13232.6082 13200.036 15701.861 3107.8322 4552.0734 3177.8677 1918.5864 1801.2776 2357.671 683.1298561 704.5055947 399.5216828 815.9135245 296.7254878 619.5580651 523.3573979 1039.861665 921.8299652 2011.395633 332.4316894 1785.123027 1037.459764 1331.24461 653.8656129 1272.400892 630.1703636 358.2818498 TG54:5 16854.4891 13339.0951 17959.5698 7.1144 20761.4979 23412.8715 10283.692 10742.4782 10541.3677 14173.8128 16250.4071 17807.5594 3860.8191 5711.4896 4835.3574 3268.7923 3211.5292 4426.3017 702.2941518 778.4154101 389.841818 989.2888688 270.0689223 716.2075954 496.1126579 884.6494152 806.6784142 1675.619694 332.7882418 1616.478667 1007.356706 1192.177648 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175.5737 157.8789 50.2536 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG56:1 429.3127 365.4742 1247.5666 445.0773 263.0429 951.1765 351.6215 878.5636 969.6839 592.1579 670.8162 1137.1341 511.4193 580.4067 404.5715 430.5974 91.5322 163.2842 5.014443114 7.390910152 5.440193682 5.040734342 0.90477094 7.456731727 4.811307942 7.504479359 6.698593738 13.04659576 3.27390633 18.71877846 3.670911981 9.139315565 4.959069563 9.204612847 3.218030699 2.353006692 TG56:2 1170.1455 559.6918 2437.0165 1161.4151 602.6131 1586.7138 907.677 1675.0127 2188.2251 1751.9039 1871.5714 2832.296 983.5033 1206.7637 1033.982 878.949 360.2284 500.9179 10.37397998 8.387349595 9.738763414 10.42136062 2.157963169 9.765074946 9.889178864 23.19198758 21.15771201 51.04763238 7.331964139 45.50727019 18.64110708 35.4967663 11.34670907 33.56688951 11.75161804 4.99077684 TG56:3 1636.3591 846.5353 2891.4315 1492.7411 1120.5915 2094.6347 1635.1988 2276.4299 2861.464 2709.2711 1806.9795 2637.6323 1163.6483 1462.9388 1245.5517 1025.4416 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4.593180894 12.59817778 4.024699463 15.25811365 2.475282302 1.283482506 TG58:3 786.2519 469.9678 1797.3491 641.3203 422.6289 1353.0537 742.1699 1223.1513 1893.5739 1110.7454 1631.4951 2315.4154 959.8893 876.3965 723.1413 693.7447 189.2573 376.8969 13.88819552 6.068542626 2.247785355 4.730309804 3.507658227 4.868803159 7.189445717 13.69803609 13.2098416 15.99327299 4.109299748 21.59846561 9.929531755 19.17794821 19.34997803 19.18649967 2.635372442 23.92030731 TG58:4 538.6408 286.641 1088.5079 339.079 146.1899 777.7756 276.1152 460.0894 1257.1991 938.9561 932.0169 1274.657 540.5684 410.3287 441.1755 316.386 60.7398 146.1622 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG58:5 323.9508 175.0895 719.3751 194.4653 164.7689 605.8111 325.9398 675.678 550.937 618.182 620.9058 1222.829 294.1652 354.9966 202.0259 294.9638 135.2959 296.2136 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG58:6 485.7003 407.866 482.059 316.2501 410.6993 736.0211 1226.3095 1210.7625 837.7686 1216.6683 1404.3893 2175.1575 407.7522 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14.43195123 5.890245716 6.802733585 3.670982134 11.02934441 2.249055092 13.39284989 TG60:4 390.8301 267.2381 950.1602 284.9429 171.8646 833.6102 384.0955 569.1429 1233.7561 552.8705 1209.2948 1706.7974 486.8281 394.9452 302.2822 279.3504 62.2808 152.3711 7.968967656 2.191252541 1.604141655 1.895006663 2.012674355 2.036098349 2.098072241 5.783468046 7.715780873 11.65315251 4.088056649 19.56191824 7.093768055 10.61515448 3.790276364 9.888062292 13.03933551 12.22709159 TG60:5 91.7089 97.3698 453.7304 188.8819 226.024 516.594 995.3226 183.262 711.1386 217.9072 587.2889 783.1703 237.195 67.6053 61.6249 167.1271 254.3393 254.3393 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG60:10 729.4926 396.9596 588.5646 505.9541 474.0084 474.0084 1278.9249 2317.0446 1552.9717 1221.4281 1976.9653 2076.1143 844.0223 908.6921 620.0105 297.1466 696.0649 501.5596 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG60:11 4534.1563 1609.2129 2597.6432 3407.3793 3028.1201 3136.3489 6033.889 5605.9556 4256.3367 4884.8522 5242.3455 5772.0703 3159.3358 2969.0737 5853.0308 3187.3795 3659.2695 2441.9591 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG60:12 9658.45 195.7897 4098.4826 5914.2944 5265.0392 7068.268 10882.2418 7193.7493 7605.8645 7824.0449 7364.3533 9580.7849 5474.6554 5235.7797 8842.5627 5891.9294 7015.896 4931.5847 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG60:13 5480.1294 1951.1488 1892.6575 2400.3003 2288.328 2658.7153 4130.3453 1344.9169 1209.6648 2121.7599 1554.5701 1936.3845 1303.156 810.0659 1840.786 979.3929 1368.3155 1275.2641 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG62:3 144.3637 234.6848 658.3308 129.0234 66.6619 414.5665 153.052 243.3642 591.3233 255.6655 308.6732 694.5252 224.109 140.734 165.2765 158.1063 201.5255 201.5255 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG62:4 44.2816 72.2949 501.6791 80.8371 160.6104 335.2668 131.6877 217.264 502.7691 253.0397 397.9538 552.279 191.2417 157.4875 107.6185 110.1521 184.1944 184.1944 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG62:13 1432.0832 965.2891 943.9964 1544.3811 1114.4651 1001.581 3822.5316 2595.4344 1954.4644 3538.185 2806.2946 2801.7838 1502.5731 1884.3638 2341.97 1462.9244 1226.1177 982.6145 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 TG62:14 3620.2839 1681.3147 1642.9271 2537.1569 1795.8332 2285.5959 5189.626 3199.2588 2939.0369 3989.1664 3180.554 3682.4504 2134.1291 2277.2196 3128.8442 2031.6421 2065.9648 1375.8986 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SM16:0 SM16:1 SM18d:1 SM18:1 SM20:0 SM22:0 SM22:1 SM24d:1 SM24:1 SM24:2 SM24d:4 SM26d:1 SM26:1 LPC14:0 LPC16P:0 LPC16O:0 LPC16:0 LPC16:1 LPC18P:0 LPC18O:0 LPC18:0 LPC18:1 LPC18:2 LPC18:3 LPC20O:0 LPC20:0 LPC20:1 LPC20:2 LPC20:3 LPC20:4 LPC20:5 LPC22:4 LPC22:5 LPC22:6 PC32O:0 PC32:0 PC32:2 PC34:0 PC34P:1 PC34:2 PC34:3 PC34:4 PC36:0 PC36:1 PC36O:2 PC36:2 PC36P:3 PC36:3 PC36:4 PC36:5 PC36:6 PC38:1 PC38:2 PC38:3 PC38P:4 PC38:4 PC38P:5 PC38O:5 PC38:5 PC38:6 PC38:7 PC40:2 PC40:4 PC40:5 PC40:6 PC40:7 PC40:8 PC40:9 PC40:10 LPE16:0 LPE18:1 LPE18:2 LPE20O:0 LPE20:3 LPE20:4 LPE22:1 PE20:0 PE34:2 PE35:1 PE35:2 PE36:2 PE36:4 PE38:1 PE38P:4 PE38:4 PE38:5 PE38:6 PE39:5 PE39:6 PE40:4 PE40:5 PE40:6 PE40:7 PE40:8 PE41:5 PE42P:2 LPI20:4 PI34:0 PI34:1 PI34:2 PI36:1 PI36:2 PI36:3 PI36:4 PI36:5 PI38P:1 PI38:3 PI38:4 PI38:5 PI38:6 PI40:6 PI40:7 PI42:0 LPS18:0 PS40:6 DG34:1 DG36:3 DG36O:3 DG38:4 DG42:10 DG44:10 DG44:11 DG44:12 TG38:2 TG40:2 TG42:6 TG44:2 TG46:1 TG46:3 TG48:0 TG48:2 TG48:3 TG48:4 TG50:1 TG50:2 TG50:3 TG50:4 TG50:5 TG52:0 TG52:1 TG52P:1 TG52:2 TG52P:2 TG52:3 TG52:4 TG52:5 TG52:6 TG54:0 TG54:1 TG54P:1 TG54:2 TG54:3 TG54:4 TG54:5 TG54:6 TG54:7 TG56:0 TG56:1 TG56:2 TG56:3 TG56:4 TG56:5 TG56:6 TG56:7 TG56:8 TG58:0 TG58:1 TG58:2 TG58:3 TG58:4 TG58:5 TG58:6 TG58:8 TG58:9 TG58:11 TG58:12 TG60:2 TG60:3 TG60:4 TG60:5 TG60:10 TG60:11 TG60:12 TG60:13 TG62:3 TG62:4 TG62:13 TG62:14 METABOLITES_END #END