#METABOLOMICS WORKBENCH araskind_20170605_134703 DATATRACK_ID:959 STUDY_ID:ST000677 ANALYSIS_ID:AN001041 PROJECT_ID:PR000479
VERSION             	1
CREATED_ON             	June 30, 2017, 11:00 am
#PROJECT
PR:PROJECT_TITLE                 	Nonalcoholic steatohepatitis (NASH) changes with S.Q. Leptin administrations
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Nonalcoholic steatohepatitis (NASH) Studies
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	UMich Internal Medicine
PR:LABORATORY                    	Burant Lab
PR:LAST_NAME                     	Burant
PR:FIRST_NAME                    	Chuck
PR:ADDRESS                       	1500 E. Medical Center Drive Ann Arbor, MI 48109
PR:EMAIL                         	burantc@umich.edu
PR:PHONE                         	734 615-3481
#STUDY
ST:STUDY_TITLE                   	Nonalcoholic steatohepatitis (NASH) changes with S.Q. Leptin administrations
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	Samples are from individuals with documented fatty liver disease (NAFLD) from
ST:STUDY_SUMMARY                 	whom serum was drawn at baseline and after 1 and 12 months of S.Q. Leptin
ST:STUDY_SUMMARY                 	administrations. The effect of leptin on degree of steatosis and inflammation
ST:STUDY_SUMMARY                 	was assessed in liver biopsies at baseline and following 1 year of treatment.
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Kachman
ST:FIRST_NAME                    	Maureen
ST:ADDRESS                       	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL                         	mkachman@med.umich.edu
ST:PHONE                         	(734) 232-8175
ST:NUM_GROUPS                    	6
ST:TOTAL_SUBJECTS                	7
#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           	SU0015945	S00025115	visit:intitial visit	
SUBJECT_SAMPLE_FACTORS           	SU0015945	S00025116	visit:month 1	
SUBJECT_SAMPLE_FACTORS           	SU0015945	S00025117	visit:month 12	
SUBJECT_SAMPLE_FACTORS           	SU0015946	S00025118	visit:intitial visit	
SUBJECT_SAMPLE_FACTORS           	SU0015946	S00025119	visit:month 1	
SUBJECT_SAMPLE_FACTORS           	SU0015946	S00025120	visit:month 12	
SUBJECT_SAMPLE_FACTORS           	SU0015947	S00025121	visit:initial visit	
SUBJECT_SAMPLE_FACTORS           	SU0015947	S00025122	visit:month 1	
SUBJECT_SAMPLE_FACTORS           	SU0015947	S00025123	visit:month 12	
SUBJECT_SAMPLE_FACTORS           	SU0015948	S00025124	visit:initial visit	
SUBJECT_SAMPLE_FACTORS           	SU0015948	S00025125	visit:month 1	
SUBJECT_SAMPLE_FACTORS           	SU0015948	S00025126	visit:closeout	
SUBJECT_SAMPLE_FACTORS           	SU0015949	S00025127	visit:visit 1	
SUBJECT_SAMPLE_FACTORS           	SU0015949	S00025128	visit:month 1	
SUBJECT_SAMPLE_FACTORS           	SU0015949	S00025129	visit:closeout	
SUBJECT_SAMPLE_FACTORS           	SU0015950	S00025130	visit:visit 1	
SUBJECT_SAMPLE_FACTORS           	SU0015950	S00025131	visit:month 1	
SUBJECT_SAMPLE_FACTORS           	SU0015950	S00025132	visit:closeout	
SUBJECT_SAMPLE_FACTORS           	SU0015951	S00025133	visit:visit 1	
SUBJECT_SAMPLE_FACTORS           	SU0015951	S00025134	visit:month 1	
SUBJECT_SAMPLE_FACTORS           	SU0015951	S00025135	visit:closeout	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	A004 - Shotgun Lipidomics.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
MS:INSTRUMENT_NAME               	ABI Sciex 5600+ TripleTOF
CH:COLUMN_NAME                   	Waters Acquity HSS T3 (50 x 2.1mm, 1.8um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	A004 - Shotgun Lipidomics.pdf
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	ABI Sciex 5600+ TripleTOF
MS:INSTRUMENT_TYPE               	Triple TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	peak area normalized
MS_METABOLITE_DATA_START
Samples	S00025115	S00025116	S00025117	S00025118	S00025119	S00025120	S00025121	S00025122	S00025123	S00025124	S00025125	S00025126	S00025127	S00025128	S00025129	S00025130	S00025131	S00025132	S00025133	S00025134	S00025135
Factors	visit:intitial visit	visit:month 1	visit:month 12	visit:intitial visit	visit:month 1	visit:month 12	visit:initial visit	visit:month 1	visit:month 12	visit:initial visit	visit:month 1	visit:closeout	visit:visit 1	visit:month 1	visit:closeout	visit:visit 1	visit:month 1	visit:closeout	visit:visit 1	visit:month 1	visit:closeout
CE(18:2); [M+NH4]+@10.66	2724031.164	2796162.864	1988367.083	2750878.596	2500877.349	2662852.543	3109051.471	2208225.565	2507537.77	2708877.999	3096112.541	3120772.731	2868351.997	3555821.514	3218220.086	3880171.263	3226133.295	3275895.298	3374249.589	3675575.223	3346025.406
CE(20:4); [M+NH4]+@10.56	647646.8043	1075224.087	527940.2754	496397.4927	612151.6396	621251.1404	546205.1547	457347.5801	379587.7979	602999.0356	684561.6908	815504.9464	739313.4945	892561.1322	805587.8346	1031913.12	833057.5607	1016125.787	1053624.547	1240052.791	1239836.746
DG 30:0; [M+NH4]+@7.39	25323.17099	4745.003488	2958.657548	73741.50158	20553.2855	30894.75841	27579.12543	22853.76151	72317.44456	5881.458117	2732.628139	5137.76287	15005.86898	21622.35198	12574.40866	2196.370475	7438.923353	2870.213514	14223.86248	24212.15601	19757.13833
DG 30:1; [M+NH4]+@6.93	7747.518901	1832.763639	3915.151456	32472.84241	5646.569471	19467.33847	16491.03293	18125.24599	24247.73437	2976.392138	3097.625273	1865.662053	12058.44131	26418.96751	4041.635532	2707.19059	4249.950523	1800.595449	8311.656985	5983.657081	6442.732084
DG 31:0; [M+NH4]+@7.60	5926.375895	2723.613064	4426.021842	15518.95927	4788.065466	4247.726166	6054.548162	9815.887295	16120.77783	4317.928081	2329.485293	2897.426001	1572.70104	6145.44421	3435.155094	1680.785294	4732.774912	2219.751707	6699.38151	2975.557292	3665.295142
DG 32:0; [M+NH4]+@7.97	32921.24174	4917.298983	7191.940544	90678.84904	25288.33651	22857.26264	61601.4354	69270.22489	129572.9674	13977.93751	9076.280104	13559.15535	31817.44552	46460.90455	37836.53751	19213.62761	12907.00656	5431.00699	26019.71284	42283.04759	47204.38887
DG 32:1; [M+NH4]+@7.51	84888.73551	14581.0964	15317.95463	165821.9937	63598.11879	87087.4768	112821.0926	173479.253	268957.2585	31920.30644	38940.77433	49318.89203	62122.63847	90324.7179	68714.72891	28626.56069	30189.3576	17348.88578	61439.88116	85538.55234	94395.87343
DG 32:2; [M+NH4]+@7.09	34527.97771	12538.61279	11102.09535	88239.62984	38116.77216	38164.9052	38147.64159	44136.61698	65952.33673	21227.75807	13455.6015	23757.58242	23119.31017	43579.67285	26784.93756	18162.40858	14401.01808	11791.39788	24277.9731	38679.75174	43995.18622
DG 33:0; [M+NH4]+@8.15	4270.499532	1717.859981	2101.332598	7828.783788	2136.208784	5212.984599	6697.597868	7967.847339	13217.28744	1364.349417	2207.637594	3722.282712	2280.7884	4140.260287	4059.615705	916.3505602	2738.310986	1061.520029	2070.300848	4562.473693	2341.046119
DG 33:1; [M+NH4]+@7.76	9924.888607	2505.461026	3913.565522	25629.02322	12116.77297	13057.9487	9658.316706	19323.70074	26840.0563	1346.391507	3513.589754	8112.396274	7034.081336	8949.668825	9891.923884	3750.531826	5685.814829	2052.303548	9209.345013	12499.39171	11293.86646
DG 33:2; [M+NH4]+@7.35	6017.415824	4906.441344	1841.636038	10405.16222	8932.264802	6129.196381	6008.03513	15609.84385	15618.72024	1259.022178	2434.850006	1175.11069	5873.674389	6091.519722	5777.755883	3293.530057	7799.805732	1916.232883	7354.551725	3697.483654	9630.034396
DG 34:0; [M+NH4]+@8.43	29333.82712	10924.24127	9736.084822	36342.40413	27857.32845	20043.81973	30987.53513	37834.89906	46521.78675	9951.209668	14471.14162	11058.42533	36567.71459	40488.07179	25461.30951	17939.57278	8777.999	12892.1539	19415.66262	26054.07304	25600.01495
DG 34:2; [M+NH4]+@7.65	331928.4281	119353.8254	63344.02146	613495.6909	342423.8071	345627.8493	421079.5433	634432.1596	848507.0186	198455.8724	152690.8249	246689.2988	176632.835	299066.7187	357338.0804	234713.094	153838.2883	80321.25518	342641.5565	534718.7888	510556.0477
DG 34:3; [M+NH4]+@7.20	69109.83704	30316.90121	13003.70003	133709.649	93199.28483	87784.75286	99766.14934	130238.1733	205400.0211	49351.2058	46491.8592	71141.13997	46080.09801	76759.11388	100880.9365	82968.03571	57981.60012	24044.68545	99922.47922	165483.3872	145334.0846
DG 34:4; [M+NH4]+@6.82	6852.794591	4728.759027	2687.373867	22206.59977	9495.824899	11672.7818	16332.8917	19323.20648	26456.92999	15089.28842	6681.717713	3567.275879	9367.371906	7917.77784	4969.572506	12153.90111	10186.70466	5082.47979	14451.71209	10305.99405	14804.03096
DG 35:1; [M+NH4]+@8.24	9653.055275	3608.110153	3684.639262	17083.52604	12910.89239	14939.61885	19793.85606	19102.67826	23172.41386	4175.878599	5842.433863	9438.940033	7275.693341	14931.03394	9818.705719	2995.591576	5267.987974	1927.350396	11177.76206	11525.08452	8874.316025
DG 35:2; [M+NH4]+@7.87	13088.90532	1818.48643	1828.027307	15325.26763	12602.78997	14379.73948	12410.11365	16118.92115	17983.12857	2002.687963	2194.997867	3598.48072	3310.207726	5014.136129	12670.6667	2392.032165	4336.948287	644.1135031	4961.113909	19052.47074	7283.472922
DG 36:0; [M+NH4]+@8.89	17838.8073	9836.800999	10821.51677	13767.32214	19325.83259	11009.86952	12270.08636	16634.44838	16508.28855	9874.237948	7496.989929	7428.456163	23901.15066	36444.0825	12723.62775	27325.0332	5814.393377	14560.31951	9183.755308	9327.924326	13057.16896
DG 36:1; [M+NH4]+@8.50	67663.87976	18242.3153	15568.27209	98333.97861	51207.11089	74785.73757	62993.28944	86403.29827	94113.75079	23702.68891	25726.60552	33189.7952	77725.41574	73140.12017	68159.05151	19284.74331	18253.88593	10893.00704	56607.77487	116637.2506	65204.207
DG 36:2; [M+NH4]+@8.21	560672.5543	1187365.798	571458.0992	367850.1431	817878.2153	990742.9204	332341.6131	413550.2429	284869.6781	592161.8676	527651.1397	687207.6338	443274.4763	490673.36	532367.9623	390606.2183	652680.8729	722486.0955	493606.5034	611550.0437	472706.0154
DG 36:3; [M+NH4]+@7.71	703377.8006	504448.1674	123880.4332	1019887.852	1136487.859	1305394.383	479842.1578	817295.4076	961765.7691	320018.4671	211373.772	463687.1663	257665.4206	420302.0171	794272.491	329483.3675	404715.1753	160125.225	777461.4724	1476852.77	1119977.321
DG 36:5; [M+NH4]+@6.99	36008.68542	31521.06256	12199.42859	60306.55151	47437.782	44690.92889	47665.11476	45036.28164	72690.53723	30536.93292	29859.62529	22041.03871	27796.99618	39233.12573	38501.63982	63197.04206	44449.27128	17089.62861	36774.92567	48943.71967	57567.47378
DG 36:6; [M+NH4]+@6.66	3373.858471	2993.698837	2398.04593	10202.57948	6512.172538	4036.222671	12604.92489	4243.842291	14109.30118	4322.585024	3168.54724	1404.672035	4928.694172	6510.251841	6587.987693	12156.33227	8003.905405	1885.108393	9003.693928	6034.112702	3736.744262
DG 38:1; [M+NH4]+@8.62	13854.95748	4206.766865	3119.220468	13971.21779	8803.206514	15235.76502	10280.48391	26681.78213	7967.160489	2830.219567	2118.406935	13707.40186	15340.45136	7557.522907	13478.93479	1861.434704	5472.070703	4093.169434	7596.051536	17805.13279	5409.860098
DG 38:2; [M+NH4]+@8.43	10106.97975	4009.685101	4599.627978	12230.08847	10426.20252	13831.98231	13110.50965	15162.00026	13347.12862	7272.497121	7105.959222	12312.05121	11403.92014	15666.26096	12967.70881	5163.520392	6966.848985	4859.573385	6232.347422	17965.92168	14339.33274
DG 38:3; [M+NH4]+@8.24	18046.60362	13245.8014	5455.71758	22472.4859	20119.02099	19959.82762	15651.34588	20545.27603	26119.51781	14623.20228	7035.233363	11858.40274	11780.28321	12461.02575	26759.55587	10496.59124	13450.49538	5822.826537	15546.46151	25821.219	22217.0649
DG 38:4; [M+NH4]+@7.91	17229.10335	15807.7166	8544.199764	22483.6839	23084.47658	28540.22781	32967.36679	38311.71001	54072.09405	14278.34191	8025.938652	19417.57023	12039.49336	17130.30891	23434.25376	16162.36449	26371.52115	8539.831046	19949.23713	50373.20734	39313.62669
DG 38:5; [M+NH4]+@7.54	80993.72231	46398.32184	25415.91146	134012.0558	77629.1951	94789.61648	80792.19039	115842.9928	184512.7677	79638.4759	79470.76975	70939.12131	62646.87904	83521.8501	115984.4365	121920.3215	61385.76944	45837.4006	141303.5574	141296.7555	168491.1148
DG 38:6; [M+NH4]+@7.30	42496.79873	39049.67778	23221.59991	90767.57241	51961.73416	58084.90001	65855.66884	65303.16716	95854.59215	56081.26069	79087.4641	40817.69904	52684.80919	110794.3375	63472.42876	184358.5615	76649.93014	47558.4509	64065.82906	73862.20373	103909.4227
DG 38:7; [M+NH4]+@6.92	5263.815787	8524.533156	3699.590311	15826.93121	11657.33793	16709.22766	9976.617684	7658.676852	14892.98219	7878.969232	5210.519396	4579.288695	12792.86867	17160.94056	11169.71562	35694.07742	4865.062096	1125.571123	6688.60798	7137.961484	13736.51356
DG 40:5; [M+NH4]+@8.10	8158.917387	3082.097754	2060.232541	9174.333775	13822.56459	12277.09865	8526.998382	15756.72838	16839.50039	4343.577647	1199.663426	4176.407092	3221.014425	6676.799185	9463.617191	2437.025422	6158.656606	1639.333803	7696.67279	14607.78224	11954.94151
DG 40:6; [M+NH4]+@7.75	12627.80438	8007.656767	4769.10734	27859.63614	29765.15509	32137.19693	14046.40099	25681.31937	29798.37901	7924.995112	4651.223253	9150.445638	15291.52289	23709.82535	20728.76863	15909.09774	14631.59647	7128.955733	16403.95776	28216.41016	30949.57882
DG 40:8; [M+NH4]+@7.18	11328.61497	21734.77023	2855.922002	10521.45848	7686.931903	16967.12673	8866.497533	12404.63343	16944.90721	5481.314062	3769.20752	8987.120988	3739.321157	30503.22344	14865.86717	47283.6751	8078.374375	5304.718173	5538.471984	20097.84938	14042.56978
MG 15:1; [M+NH4]+@0.88	18453.9487	23771.08468	16177.09333	21106.61599	23192.22472	25363.55814	24856.05074	25996.11322	29340.0679	20704.78182	29081.59321	30447.75951	22135.89916	26152.25658	32446.12451	18949.03684	34065.14138	22941.48389	28642.6928	27887.2423	24197.97791
MG 16:0; [M+NH4]+@2.81	69231.8877	19618.06138	4466.606294	61757.77916	32123.9087	20960.54186	18160.71532	40134.15941	42320.77188	23007.89093	6153.159508	13022.89088	25303.39817	14572.3051	6879.707424	33618.2769	3132.514614	13724.11095	4039.055909	7369.614826	17920.50625
MG 16:1; [M+NH4]+@2.06	5140.314095	1320.897034	764.0868778	17542.8678	3427.203882	1447.056362	3684.04226	6433.191986	30789.87655	2978.016748	632.3997683	3182.455046	2387.122685	7252.017761	874.7877357	25714.83301	415.3111975	646.74216	1222.820301	4501.088279	12729.00721
MG 17:0; [M+Li]+@3.20	35416.89463	41782.27954	48308.52861	46805.71889	39433.35511	36831.33678	56519.81996	52354.964	51146.29947	54059.09702	44659.94239	40763.65069	47505.83239	54479.08682	49606.04342	45527.41966	35775.41373	49345.83911	42678.82245	53324.5486	51292.86561
MG 18:0; [M+NH4]+@3.72	68257.53422	35877.61955	11666.20359	45958.92932	47882.6644	18320.84581	34205.1331	43788.68051	19632.14797	30739.16633	12761.49268	12202.11407	51951.69754	43443.19255	3943.312202	65599.31682	3049.340662	45336.35249	5324.086424	7050.549574	14541.36955
MG 18:2; [M+NH4]+@2.36	139073.0618	15883.75451	2937.281096	289194.5874	15302.9165	26120.65105	9789.747015	24957.89593	220052.3451	9997.310344	5223.066302	13422.50834	16427.04126	9798.51426	15334.87126	893857.6467	11443.22206	8033.780989	19204.66067	15645.14378	176047.7316
PC 30:3; [M+H]+@5.39	5038.868853	2552.458255	4258.871847	6421.812714	3831.481231	7033.661612	11642.80825	5255.503418	6189.966837	3609.190806	6778.303222	5680.775333	6025.933424	14577.3949	4869.961663	3916.751205	2869.238795	1706.084691	3995.606887	4238.804108	4743.179557
PC 31:0; [M+Na]+@5.71	20928.06551	17129.17675	16255.25655	31458.20287	19220.2979	31895.45571	17733.78328	19561.06854	23490.60023	4020.384896	29074.06357	23135.76026	13905.2296	31216.68954	26904.24896	20208.95924	16084.05732	9501.11827	24195.19733	32017.1677	27204.40725
PC 32:3; [M+H]+@6.13	13860.43179	9443.778044	39622.81254	37911.47796	15715.41368	25117.02805	44101.34698	36672.46621	40404.48489	35406.51937	25603.23976	29380.7095	36067.44247	45598.38512	30333.31014	18697.28408	31508.52243	24294.9276	24998.58147	31463.06062	32575.79604
PC 32:4; [M+H]+@5.56	7790.747572	4473.133621	5944.074716	15218.48407	12379.03412	14648.95908	19653.88357	16613.71277	18540.63186	8387.295085	12288.22195	11573.19169	12967.1306	24223.03893	11148.49411	14219.37942	7730.519126	4327.071322	14597.82435	13888.31103	19140.77482
PC 34:1; [M+H]+@6.79	14403660.08	14674851.12	13816821.46	21641646.21	20454228.04	25375129.12	30605689.4	31265824.61	31825868.56	23858059.78	19451747.15	23901403.71	23768312.32	33716903.56	24454291.08	26238044.03	16610149.98	21359048.17	20002342.74	27942781.21	23316487.41
PC 34:2; [M+H]+@6.32	35479706.03	167130627.3	149744615.4	24211130.35	49704052.24	34736407.28	37494916.19	21653119.83	14762920.96	99035881.46	156145247.3	75197571.33	57924492.16	62510853.07	41908791.44	119352917.3	131856562.1	272536442.7	45687117.16	31692595.89	30130253.31
PC 34:6; [M+H]+@5.31	4812.252125	2054.42074	2715.867473	8291.418044	7075.335418	8326.01108	5299.051629	9875.674116	8014.908261	2268.081116	2950.366954	9268.359203	3926.899198	11268.79874	3943.274105	2305.848239	2820.662183	1929.566394	6592.887806	4948.792532	8900.190799
PC 35:4; [M+Na]+@6.07	15062.05213	4618.487504	11737.00149	21396.77202	15371.59013	15959.67243	40861.46986	12365.56089	14951.31539	12540.56139	12525.7798	21008.70927	14262.98829	14757.90887	15414.83825	13094.58941	20308.87113	16702.83431	13551.62216	30450.37798	18595.14366
PC 35:5; [M+H]+@6.11	39310.60201	30744.22681	49186.9019	66527.74948	70010.06406	52763.71361	59289.97884	51027.48059	33267.52301	46877.46867	29287.40922	48864.25064	28580.99858	38559.44966	60901.77005	48685.25601	54191.3855	28383.03863	35174.58138	73483.4174	41743.17556
PC 36:2; [M+H]+@6.97	23722871.05	23684133.41	15557189.75	29486228.21	26982792.15	31165692.62	34173616.77	30929261.64	29557188.26	24195016.15	32620160.98	28772272.01	26862431.66	33755406.17	28502643.65	31922476.68	25636015.24	27769671.48	27364939.02	31973095.4	23831521.08
PC 36:4; [M+H]+@6.02	9805297.811	16403411	10974248.59	10169525.88	14641138.76	9583775.348	11779842.04	10143638.85	10626242.99	10788689.08	10339867.91	12571278.07	12581792	16985008.16	15002144.45	18726219.01	10557671.57	15419778.37	15745731.61	19595264.31	19812861.01
PC 36:6; [M+H]+@5.98	83636.34709	103509.0846	62957.56278	96880.28094	210544.3419	125669.4172	128534.9609	253943.3963	251539.6243	104699.4362	135002.9866	131371.4124	90696.64507	106402.256	184401.9832	107807.1732	136266.6755	88454.1687	106179.5626	286952.0864	146909.2076
PC 36:7; [M+H]+@5.56	25951.87506	17089.48272	20786.66881	51943.90747	35885.74169	33092.47701	31399.13238	26938.54061	34403.11458	28908.36283	28879.90988	21089.03543	41868.75532	64128.15375	31006.85632	36231.66376	33503.27869	24177.09456	27191.63784	46736.86196	53297.07874
PC 37:5; [M+Na]+@6.11	15296.10048	8204.13164	7382.047954	8676.380375	8414.479964	14464.83425	5132.279387	8834.822502	7855.20494	7037.973388	4196.949822	9767.406859	16066.92137	8447.719543	12452.66152	11508.83717	13180.01259	6363.791002	6924.58305	17501.14234	6099.43567
PC 37:7; [M+H]+@6.05	12216.66491	4566.878021	28335.62581	21420.04777	17572.59605	14777.54482	18501.5811	13337.79906	12059.15736	3676.747289	9408.242613	12891.99857	17671.3889	20741.39232	19462.33929	16211.55357	18935.68601	20183.80006	17431.31825	26964.97557	20704.41005
PC 38:6; [M+H]+@6.21	8661805.692	8705025.56	5943768.542	5499435.162	7934829.302	15127673.23	5614355.39	5813599.966	6050738.729	4608628.338	3717928.9	6497776.318	12575114.37	22039520.63	12405753.39	7694716.276	4766227.618	4948286.468	8239443.97	11079921.1	9220299.148
PC 38:8; [M+H]+@5.39	559185.3437	200551.3727	257628.0661	201939.2183	121501.5457	539388.2533	167566.7967	211016.4952	284378.8948	159993.3789	167684.3659	370850.466	143699.2636	204667.8013	456370.254	229312.2199	169598.5944	286480.9057	584356.3994	265343.0715	252578.5572
PC 38:9; [M+Na]+@5.15	18682.98345	21277.30701	16543.149	28995.96248	34333.41053	37675.50258	22932.02147	33899.96833	26031.56123	23240.88935	18215.95296	13896.99097	24588.00564	30088.83104	20827.73025	11047.36847	16069.29963	14586.58506	26068.38462	41538.90451	33167.08866
PC 39:8; [M+H]+@6.12	14989.11167	10141.04499	4361.646439	9771.331939	11360.01409	7667.87796	9579.283805	5919.871931	9813.598638	5299.261754	6488.713023	12806.58954	9985.61103	15684.10805	9733.501101	7788.105311	10800.28968	6867.322472	4096.922752	10916.09427	7155.339599
PC 40:10; [M+H]+@5.61	16169.03137	34479.12864	19674.47117	24773.58028	21201.24165	34899.28781	15591.8675	19792.77066	17515.32821	17422.60371	15427.14433	13356.76607	35899.04054	46303.89701	17858.95628	32031.7861	13599.33067	13509.72741	19354.36844	29016.90019	25805.63555
PC 40:8; [M+H]+@6.61	18050.81014	33149.51207	36473.48128	27791.79834	22861.55238	28557.29012	55867.50078	20495.31814	37509.80998	24816.32563	26123.38406	18837.82094	37534.70562	49530.76565	26659.58046	45440.97542	37782.42593	28514.09194	25712.08187	46443.89801	36842.91782
PC 40:9; [M+H]+@5.53	9112.776352	10569.83299	7257.730041	7402.904967	10564.32724	20572.90305	11056.62445	11103.32933	12745.88995	7226.125307	3532.898762	10403.08605	18026.53809	21595.7978	5228.159212	20382.04984	204.4762658	10300.58571	9010.287315	3782.873167	10884.02766
PC 42:11; [M+H]+@5.88	9726.724669	12571.07053	4968.769192	9808.64841	11847.26909	13621.27641	6124.581486	10683.64233	6237.746715	5892.504255	5869.264566	7603.109174	7734.463165	9294.120969	7374.863237	9226.523696	4083.980896	2578.384786	6596.907429	8722.618561	10780.24835
PC 42:5; [M+Na]+@7.66	2725.522091	1984.160238	748.8857969	754.0558034	4493.250205	4013.615924	4007.667483	899.4369745	3296.720369	2891.576144	1379.986471	5195.142401	1908.445397	1877.947971	3103.268703	2014.20335	4710.198801	2087.629373	3376.184813	5876.786912	1165.976082
PC 42:7; [M+H]+@7.60	6552.100444	9895.054293	6390.493523	17819.65881	3910.676959	5195.160926	13523.57103	13955.33191	14666.99923	11957.20174	4835.200621	10657.43927	11106.26668	12029.86136	10636.53491	15094.42712	20146.60591	11010.33988	7534.414958	19960.97634	18078.10641
PC 42:8; [M+H]+@7.21	3400.180266	8551.353217	4366.404959	13387.13465	12193.14767	23152.31698	11971.30675	18695.44181	10490.01292	3360.770867	7220.916414	6474.703665	9863.004709	17990.1314	18743.26283	7374.601638	4853.289192	6290.054286	22534.92536	28789.52681	20066.19932
PE 35:1; [M+H]+@7.21	14381.25922	9434.977677	15280.19982	15768.2533	19633.40091	16139.19169	35126.6258	21715.87119	34844.27269	18828.06227	27127.50713	16335.88255	25410.24703	39869.55773	18460.92925	16926.81205	6832.418647	12243.68352	12312.36365	34369.43164	23894.61572
SM 30:1; [M+Na]+@4.45	5103.005061	7731.890311	5868.437231	6778.04186	3845.663044	7141.462072	5104.334581	5288.589709	3811.898605	4711.167031	8644.346436	6468.702582	3927.085981	6737.312018	4312.186142	8133.097561	3823.560665	3835.875911	4988.426845	5181.012727	3605.837902
SM 32:1; [M+Na]+@5.21	197240.506	199078.2448	117264.3697	220149.2772	193850.3756	230596.0351	215099.1365	220669.1177	205763.5564	224155.3019	239114.0358	286010.9353	197624.8616	278437.9738	266522.4205	238465.6515	137958.8884	199895.7349	208572.3889	255554.2262	222929.7987
SM 32:2; [M+Na]+@4.63	10239.85768	7905.77028	3516.392713	10761.96213	7744.589174	6660.64357	6057.230576	6062.050779	7878.131161	6161.181267	7769.25751	10978.29912	9126.479509	11946.31691	10464.86631	9210.446133	4495.933369	5642.489958	5390.256185	10892.11556	6929.740296
SM 33:1; [M+Na]+@5.60	105416.9756	101895.1943	89280.11845	109526.111	105690.309	115423.3072	121686.1634	115825.6904	111460.994	130270.9759	153013.9259	163498.7113	114772.8345	155784.1993	135466.0269	89323.95594	73891.06644	130842.4848	113201.1206	116188.1701	120590.5474
SM 33:2; [M]+@5.06	14287.29895	14827.70161	12773.38083	19727.96458	23285.54017	12470.529	18094.91576	16265.81451	20077.4494	15259.17523	18587.0301	24418.39008	23218.41043	24204.45532	20771.55989	20518.03623	8838.040724	11175.2633	11215.17768	16421.66241	16408.72759
SM 34:1; [M]+@5.90	6632052.763	7090022.474	4743352.187	7087118.499	7104014.022	8462094.325	8368641.812	8193580.12	7672794.004	7255108.605	7795365.079	8535750.777	8752733.632	11442132.13	10591370.7	9024124.255	6678366.137	9094800.15	10271729.37	12917904.14	10440702.59
SM 34:2; [M+Na]+@5.39	237653.7972	307394.6064	201566.9636	280955.5529	271996.3278	255457.9918	317298.2932	285106.1025	235783.1937	306091.4012	314155.8784	341607.853	293132.9464	377437.0441	304936.675	330268.9022	212070.8989	332733.601	284786.5008	361244.3535	285174.7513
SM 35:1; [M+Na]+@6.07	14780.50864	15761.35644	19061.02704	15963.21205	10782.83945	9331.844206	15145.57314	15755.34661	9835.02791	15267.57823	12044.99848	15404.60119	12725.55004	10163.31274	9148.862703	11505.6526	18297.45927	13745.72256	12217.83195	10798.47772	6629.593511
SM 35:2; [M+Na]+@5.81	6167.979704	9866.100536	8610.354692	7718.665565	12100.96416	8258.874419	9856.098443	11330.55806	9140.939045	11188.15368	5420.082878	7323.221529	12372.56165	9067.088815	16530.74191	9477.375832	5567.722604	8341.500677	10393.53625	9054.81007	7000.792509
SM 36:1; [M+Na]+@6.67	54449.14178	31525.19347	16126.4164	25384.11866	32852.00708	33519.57619	20441.19105	21243.7387	14491.092	16494.98467	13653.43581	16669.27509	14403.20277	31491.66245	17063.92982	14182.47468	9471.009326	10139.17443	20371.72267	26060.61034	28509.39855
SM 36:2; [M+Na]+@6.13	67961.50188	77689.08954	96172.83194	47837.45732	49714.84131	48321.58342	73701.56287	58215.48747	48243.24279	93408.3532	42136.3883	82321.66051	97082.22922	90155.6574	94873.16009	64697.2482	52722.86561	99539.6598	75271.02399	100171.5592	81529.14168
SM 38:1; [M+Na]+@7.34	47473.9767	60617.67421	57504.8853	35316.94963	34461.20968	43296.10146	33817.87463	32715.70314	35675.35759	55146.48296	42552.16174	41017.01231	52331.54996	47025.51606	32229.74948	38203.46976	29830.09381	41462.76921	32481.38926	48025.01375	43639.19405
SM 38:2; [M+Na]+@6.81	3945.892639	8481.454327	7639.901953	3242.627211	6047.238768	8000.945659	5847.798755	2467.858007	4733.146341	4305.604883	5046.361003	15062.79538	16035.42504	3054.21257	5736.449778	6403.333726	4573.901454	4514.373806	2293.132174	7607.03378	3135.483618
SM 39:1; [M+Na]+@7.67	57090.77687	52919.61713	42186.17335	56219.04289	56129.77043	47051.50342	50626.32357	52305.51547	50150.11583	47850.8778	46173.98982	54640.2633	47161.84014	58776.54787	71931.70593	40347.71143	37140.76056	51563.16454	43875.83871	50272.86302	44961.31592
SM 40:1; [M+Na]+@7.87	155287.2003	127110.3661	128993.2933	216382.835	180149.8388	150492.0283	186155.8542	155629.7112	158497.6313	153526.7442	121493.2923	144389.1656	162030.15	207174.0018	168864.4752	149417.8568	155121.145	142530.9905	99437.75229	195824.2246	178067.1434
SM 40:2; [M+Na]+@7.46	54431.68775	56730.35883	45307.28616	64398.44273	58731.0693	65936.4278	52017.08395	44774.20249	41964.976	55361.84615	62304.43983	52762.88403	46415.24711	78087.98564	69917.9344	44414.09465	52493.32707	72333.73762	38887.73433	54384.35707	30354.14663
SM 41:1; [M+Na]+@8.18	215724.4259	237013.6014	149381.4149	248264.7004	204088.0609	196700.2668	255505.6709	223037.2183	218613.7202	229110.51	208258.673	214420.9359	222731.1086	264374.8634	220016.6098	213971.0129	151557.4143	213609.7982	203505.0389	213729.0978	207947.2868
SM 41:2; [M+Na]+@7.74	102863.144	113304.1064	116230.5357	107134.2903	119227.0715	105362.4822	115500.6874	88134.63859	82977.03067	94999.93381	81009.43219	108544.0275	108207.3082	112593.0153	122236.5771	95905.37963	82385.46982	105150.3195	88966.85491	104407.1103	120589.8067
SM 42:0; [M+Na]+@8.04	20670.15436	20218.30579	8845.143141	18698.03006	29920.24435	27254.34192	15558.66962	23886.01817	22547.33496	15713.41783	14124.80298	21380.2412	12583.25911	26360.45548	21942.14557	14213.6389	7660.453804	13332.06288	30904.42494	35206.72458	23596.53221
SM 42:1; [M+Na]+@8.43	341980.1228	307421.3458	201054.87	324314.0087	335565.983	342491.4814	367820.4421	356383.196	344864.5883	327162.2345	359313.2953	360041.3421	330990.1815	436439.4202	400762.8399	435102.2592	269268.1921	354761.7803	396797.6936	491294.4691	393666.1977
SM 42:2; [M+Na]+@7.93	243274.9513	250882.1932	308005.7485	330141.9268	270576.7972	318893.8508	384464.3015	323302.2416	300397.794	359476.7749	254638.1926	292176.1923	324103.0344	435621.0979	304748.3021	276100.3859	293440.2813	265472.0077	272859.8984	361329.9768	322394.4136
SM 42:4; [M]+@7.01	151942.4992	199014.6938	149618.917	164704.1257	174238.5299	127868.7923	201051.1346	158167.5212	165836.6964	223907.5046	206455.2332	248603.7003	116176.8453	204823.6552	193740.4844	239484.5404	192317.8495	177628.9479	200641.4841	255535.5366	187541.5659
SM 42:5; [M]+@6.61	35143.97306	32376.25076	16854.44448	23913.1142	47479.27595	24618.90158	24970.80084	35385.45384	23304.28757	20253.57171	13513.9147	49609.77702	13447.32527	26360.33247	30473.51186	12995.11674	22240.71077	19255.60361	59712.0652	46929.70319	44127.92135
SM 43:1; [M+Na]+@8.54	37125.774	35133.16071	30671.36501	24884.64557	28069.14274	28347.80988	26521.86175	20511.07995	23799.60781	28282.21425	46703.40393	33991.81251	26714.6321	35264.28633	22795.80052	22781.41623	10137.41458	33212.86273	31537.80511	30236.67252	26467.17073
SM 43:2; [M+Na]+@8.28	33696.23926	41048.55117	42053.10675	35979.16086	38081.10973	22191.09939	38221.26791	29331.72823	29313.10226	33059.71141	25969.07772	25293.54177	39235.39602	30150.48269	23354.70526	12625.91724	15141.31247	7534.256615	37613.49127	41157.92538	16466.4896
SM 44:2; [M+Na]+@8.49	9726.356166	11187.15337	6038.551717	5634.436518	8184.026482	10634.67677	5056.776658	7440.443666	5659.702745	9644.454007	7166.791562	5901.377752	5769.172433	9480.203146	9103.140617	4503.696296	5238.377458	8785.979945	9375.307177	11263.46262	6856.214906
TG 40:0; [M+NH4]+@9.47	73311.51203	8369.810069	10630.11492	277481.2242	32934.36224	57750.76769	73902.44259	55199.80192	87310.44056	17304.64072	45024.44803	7621.795493	78956.07841	471374.3387	23750.60743	16724.97455	23971.4847	10804.61163	29045.67466	25374.06655	12808.36423
TG 40:1; [M+NH4]+@9.18	92596.63589	12433.06484	5663.557654	222039.816	16117.07249	61095.23955	68677.42435	87054.6705	110928.9151	26108.19703	48178.7239	18093.364	106714.1738	233197.6966	48650.15963	10594.10551	34553.7384	5282.911383	52825.77497	37119.0643	23276.13428
TG 42:0; [M+NH4]+@9.79	120533.5877	9162.634827	19098.76786	430500.7084	65096.45096	117340.7483	148509.5343	92702.8841	178930.1834	21722.134	75497.69064	21874.9812	161042.6954	762601.4504	81529.87067	17978.49455	32185.01477	10384.8896	75355.11165	49476.06833	31647.37857
TG 42:1; [M+NH4]+@9.54	144739.8382	20238.50599	22568.51882	466587.1058	61056.44478	174517.9845	156596.071	156691.9673	199387.0294	53703.9997	76452.55751	24614.75114	216377.6197	753229.2095	74283.43646	23725.33724	68965.11122	19640.9677	70261.19513	49670.38683	30826.54163
TG 42:2; [M+NH4]+@9.26	107108.0332	20420.85042	17021.08936	301262.1912	37241.11184	87364.6294	110766.0453	99722.41343	127390.7436	58089.38812	62612.51881	27785.32044	115920.501	479501.727	60184.73917	18263.44802	78380.94293	10040.05226	68183.20439	51402.15234	28623.76394
TG 44:1; [M+NH4]+@9.83	391227.4747	150006.3316	329584.4321	561073.1325	291764.8439	433942.069	325485.4729	209233.9436	183256.499	272401.448	746125.1239	178707.6234	690900.4509	1699291.45	285276.8997	169311.4251	430479.5211	341913.5228	259424.3672	159926.7673	112175.4519
TG 44:2; [M+NH4]+@9.58	239518.3918	183958.4672	238982.7122	406044.896	190533.3136	238978.6382	187421.9885	125717.313	109747.8867	224968.9437	505812.8931	114124.1602	391214.6007	1073187.929	149238.5348	126453.382	487452.4127	201065.9591	163006.4855	80955.74973	51751.15084
TG 46:0; [M+NH4]+@10.33	460740.1984	42307.18243	39458.79173	1374680.764	476142.185	648234.9768	769331.6342	861450.7568	922223.8897	170368.49	197565.8033	215067.9829	492449.7686	1184973.022	694437.1669	35850.33491	74827.46513	34679.27745	404325.0794	496400.0386	316053.3123
TG 46:1; [M+NH4]+@10.08	747662.022	111740.9316	165145.01	1988258.097	595432.5211	1053628.044	1180295.483	1161805.645	1227679.156	382377.7487	546211.0121	445805.4079	1136273.563	2596867.006	920811.339	158949.5398	236325.3061	205683.0074	615868.8442	634220.8752	535153.3397
TG 46:2; [M+NH4]+@9.85	680582.8144	160318.3526	162643.4714	1799180.783	647626.9664	1068000.26	886493.1376	971913.3285	1017660.767	329195.254	551947.7834	323752.1509	720639.0861	2103520.905	638887.8272	142755.7044	346653.1433	170218.4308	485563.7741	619408.3376	386343.8104
TG 46:3; [M+NH4]+@9.65	261129.1324	78074.50456	78121.83639	688154.8792	254434.2518	380209.6267	263018.9203	294539.7986	311378.4495	133408.4855	192353.8873	102384.4491	232787.6632	682533.6024	214969.2375	62713.74685	192618.4075	63698.37279	188063.4441	216481.252	138791.21
TG 48:1; [M+NH4]+@10.34	2843151.464	492758.3786	317176.5922	5319039.829	3565598.877	5371656	3976346.121	5517235.591	4984621.288	1470071.584	1208040.037	1724115.298	2434345.362	4495305.176	3597754.3	357231.635	698422.2828	417971.7768	2444614.248	4604935.091	2433023.576
TG 48:2; [M+NH4]+@10.12	2145172.82	2764805.13	2750400.365	2324703.146	2918923.597	3032765.127	2574868.645	1961246.269	1388481.463	3501362.678	5374386.049	3167055.301	2979325.08	4995991.101	2408135.433	1504092.692	3065671.355	4703500.121	2183875.839	1836981.893	1643910.293
TG 48:3; [M+NH4]+@9.92	992332.684	445767.5808	383091.4654	2416038.892	1381904.38	2158068.794	1595411.663	1869242.445	1905133.003	826294.9623	875684.858	716078.4807	1003949.438	2183807.857	1060710.764	336296.3675	812097.3115	411832.5036	1020966.179	1507986.601	1059042.444
TG 49:0; [M+NH4]+@10.72	33768.80693	11790.29692	18215.03154	123453.9146	46045.45264	52905.5777	128187.5902	112680.5627	112850.0478	24118.35404	20762.81235	34221.31202	101108.6639	112341.1247	58619.83985	17798.80476	19676.95936	14048.47118	41180.98366	68230.25089	31080.76207
TG 49:1; [M+NH4]+@10.51	208349.3574	43203.91599	82212.74953	418198.1927	238847.2994	241741.5803	376207.8525	415065.867	446267.8545	109533.8234	144907.0322	212725.5628	319210.2149	435885.1947	239771.7408	49910.85549	90790.14235	66688.42897	180588.4444	219789.0151	201551.9461
TG 49:2; [M+NH4]+@10.30	204278.1373	66307.00808	93551.06545	411148.0763	291369.8673	307378.8903	392855.3952	428874.601	420345.9864	141732.6006	149176.6893	238558.8424	216323.0512	376478.2821	272778.8861	48829.45767	94156.08417	72491.88358	241545.5298	241710.0379	215298.7518
TG 49:3; [M+NH4]+@10.09	111343.6169	41923.59402	73374.1356	261028.1138	163508.4431	160187.146	128450.0206	224400.1057	185256.8677	69338.59695	93685.25224	148020.3918	106193.6415	176147.5794	142790.2844	35716.1976	78292.74416	48798.49751	125007.2272	164260.8746	133137.4301
TG 49:4; [M+NH4]+@9.88	37147.23853	24781.2077	20069.78166	67902.34339	72812.5677	58049.89097	53715.11447	68573.63457	45566.02431	27245.42587	23221.72167	60009.06457	57823.37774	108457.0858	42942.18344	19048.09114	47124.8251	22316.01841	34157.97759	56067.45863	37380.29611
TG 50:0; [M+NH4]+@10.82	668881.3945	226161.9651	225962.02	742809.6397	627782.8658	790226.4541	903965.5638	1645836.567	1597770.421	340916.9999	446177.9473	452858.7095	1625143.676	1260261.843	1070661.288	250361.7965	240182.7051	262582.9216	918230.5286	1891024.702	412813.4463
TG 50:1; [M+NH4]+@10.54	3338766.183	5787451.157	5960885.663	3092939.368	4411902.108	3051904.723	5625673.116	3194551.395	2273306.152	7466915.933	9995745.192	6627721.204	6075468.919	8429401.257	4812761.386	3660129.534	4886576.077	10337447.18	4996067.814	3841082.798	3375357.659
TG 50:2; [M+NH4]+@10.36	5183844.135	10465053.16	9315837.727	3734230.563	6382774.136	5989835.404	6823632.697	4454108.93	3450658.229	12668286.36	15160385.82	10606807.45	6947035.188	9503932.877	6344144.193	5866319.409	9134021.709	18127314.78	7000038.108	5727137.827	5131883.268
TG 50:3; [M+NH4]+@10.16	3650769.11	1909536.584	1595421.406	6463930.502	5903685.882	6791617.181	5836986.603	7361146.32	6732484.538	3431049.256	2675470.911	3565331.229	3157281.283	4874755.18	4140385.139	1773420.258	2543052.834	2011900.412	4356212.929	6066324.753	5167442.829
TG 50:4; [M+NH4]+@9.97	1553618.67	1279826.166	745442.936	2768486.622	2496229.728	3010433.858	2097495.195	2474350.779	2436486.135	1399681.778	1276666.335	1272540.077	1228705.909	2197766.853	1662138.085	842331.5671	1347853.421	789337.5831	1652155.719	2712176.981	2165491.696
TG 50:5; [M+NH4]+@9.77	427724.0637	356722.7445	155565.1258	700339.1506	676669.0638	885636.9646	427788.9341	536163.5175	559806.9788	310412.14	369290.5378	274060.5152	342422.5263	760441.2781	527144.183	277084.6952	417210.4402	162976.9026	522049.132	745045.64	542600.9192
TG 51:1; [M+NH4]+@10.75	240451.8837	86539.46049	118014.6695	468798.5169	195896.7675	315741.3371	447234.7358	427843.2207	480676.7372	156413.9945	91538.16544	220890.7282	349130.9467	489790.0019	338101.1937	80558.41353	51389.22066	83712.66895	205590.303	369999.5347	286056.3833
TG 51:2; [M+NH4]+@10.55	620917.4706	218648.5007	248014.7714	995152.1997	826108.6809	1013211.556	923612.2289	1244217.449	1070683.032	391688.1008	367050.5548	725260.4903	576350.4322	875581.5817	828448.5159	176201.3631	307406.1541	206556.9221	798003.4923	929500.8683	860597.3837
TG 51:3; [M+NH4]+@10.35	493526.4457	1308776.567	1221886.985	352948.1318	918505.9472	636159.9832	422740.3395	340838.5133	222179.6257	646517.027	1097329.426	970517.0216	494274.3252	550659.9884	535014.4934	466474.6566	939152.8386	1327984.504	545010.7266	456467.682	434273.456
TG 51:4; [M+NH4]+@10.17	197431.4861	181907.5204	101084.7094	292332.3078	394132.3113	296571.067	200496.418	267313.7395	195561.151	106593.568	147461.0637	233014.0985	118049.6299	214451.7681	206126.4097	99913.87888	145827.1618	93421.36451	176576.7179	276374.4861	195548.8462
TG 51:5; [M+NH4]+@9.97	62672.52227	84975.63464	33357.90669	75756.46603	113964.6831	83352.25974	87946.3947	98162.33003	85221.60352	36622.38573	50540.47353	49563.20989	68376.69451	120387.328	73735.03431	50858.17597	58856.95175	42057.14596	84625.80745	78087.85011	74801.49032
TG 52:0; [M+NH4]+@11.08	415869.5465	130720.4754	63263.98231	821562.6008	795292.955	782358.568	602747.8992	1167734.711	875097.55	216042.5625	228538.0688	270917.3864	669575.3238	890376.3703	753700.9788	94180.34366	94784.49792	60642.39802	620392.5619	1210832.183	462632.3254
TG 52:1; [M+NH4]+@10.85	2476222.512	1142327.72	1120888.455	4755311.314	3671870.358	3333842.233	3895388.025	4706671.481	3947347.378	2101991.295	1660393.591	2126929.905	4613759.633	5355890.723	3752956.653	1331821.238	1093043.17	1346087.323	3223533.563	4833548.659	3241893.128
TG 52:2; [M+NH4]+@10.60	8508615.19	32107285.38	24299343.6	6250794.251	13844595.61	12145609.76	9747425.521	6453912.265	3909782.448	20504770.16	25086242.54	19102404.16	13848305.48	15440164.79	9960521.027	15720038.37	19200438.28	47805429.08	11671720.29	9194233.323	9001568.347
TG 52:3; [M+NH4]+@10.42	10410085.17	46738987.27	29023940.53	7308039.8	16375244.27	13317678.54	9478813.294	6911254.717	5012738.322	24375163.17	34349323.55	22772590.38	12107064.21	15604105.93	13330258.51	19450363.26	27582813.36	54328939.7	15760737.36	12556597.56	11624173.71
TG 52:4; [M+NH4]+@10.21	7622594.279	38437173.8	17881257.02	4950609.104	13089821.2	10035281.38	5932234.322	4874095.643	3075284.418	16534359.12	25058186.22	13400898.63	6881885.321	9849072.295	9815470.414	14127867.12	19818892.48	31283999.97	10686696.86	8836781.715	8532314.444
TG 52:5; [M+NH4]+@9.94	2448734.574	14252105.77	5698215.129	1568569.402	4350176.31	3212687.077	1846587.538	1472212.134	950875.9408	5260353.118	8919171.396	3952744.132	2366430.19	3240166.642	2961695.553	5519215.491	8071695.723	10854741.86	3552361.41	2961014.118	2805616.815
TG 52:6; [M+NH4]+@9.84	556785.6533	865810.1003	276390.9911	656212.447	870165.1811	999047.7817	526066.0214	686526.7572	635450.1959	575796.2689	641156.904	416398.1336	556214.6259	1057359.318	729363.7662	587100.3762	685080.0101	397723.2746	697788.0593	930653.5691	748040.7505
TG 52:7; [M+NH4]+@9.70	90647.69685	146022.2536	49524.71853	143353.8885	149085.7598	233459.8726	87549.40144	108901.1067	114276.8992	83899.32449	95497.68049	41642.68128	133307.4434	355899.4166	164802.9887	129566.2753	129917.3356	55085.31769	119434.9103	172542.0217	139261.6006
TG 53:0; [M+NH4]+@11.20	46942.55415	40897.90736	43633.96576	51806.66929	39996.9075	46843.06769	48831.77959	57313.10466	83344.10156	46797.7725	41060.87463	45492.8411	56427.95542	51681.12037	40707.39743	54805.41016	50574.77534	36387.07277	64719.0279	97924.28026	56268.34206
TG 53:1; [M+NH4]+@10.98	84278.1612	51654.46169	54101.5618	188015.2006	151502.8566	165798.6667	164063.6502	225650.1004	173031.6081	107763.9329	83141.07648	87230.30676	176317.5659	177950.0668	123491.3336	29358.02593	45359.88616	28375.86202	128059.6681	187164.8225	119160.7111
TG 53:2; [M+NH4]+@10.78	360907.5126	246778.3845	220334.0168	553843.9093	461271.768	704058.903	465974.5188	652043.0807	439766.5523	209457.4544	133181.3308	313693.1221	407554.6339	449694.2746	395980.9906	140851.2182	193506.0364	170028.0581	320091.3266	586153.2142	394940.4059
TG 53:3; [M+NH4]+@10.59	452644.4375	380576.6623	228499.2632	558442.7736	724450.2793	745893.4419	457831.7712	678904.7307	540298.6428	242560.427	264591.4323	512836.9399	309591.6967	409098.86	505551.5263	171791.1445	336693.5185	185929.2095	559589.0837	695370.1177	643154.924
TG 53:4; [M+NH4]+@10.39	269158.6662	306067.5186	182725.0142	280579.8808	385276.429	322867.0821	185777.6133	293097.814	251517.3692	117180.4188	155352.9044	291638.8402	219808.458	186417.776	240989.4936	137354.0106	212747.2339	117600.6286	257367.5277	366727.2357	302119.2829
TG 53:5; [M+NH4]+@10.20	149468.9241	162488.9976	40474.58785	157151.0015	245123.6535	199573.7506	119409.1861	215102.0077	131253.1061	58884.66201	66278.2247	115705.4474	89908.89265	129979.613	159427.9753	58925.31886	118147.851	68009.18022	158549.9207	202185.5197	174824.0979
TG 53:6; [M+NH4]+@10.01	77187.6785	44730.33367	25901.72941	101823.0877	123945.2958	144903.6162	39138.36023	79137.83529	58302.77042	52327.84155	52715.16505	60926.80705	53212.26172	123085.7479	98553.46608	32992.94775	42130.19105	19000.94803	88674.40872	93982.22951	56341.32028
TG 53:7; [M+NH4]+@9.83	26255.87135	26127.09324	24781.09608	47234.43637	82019.8071	56908.93185	42742.42817	30869.21904	31335.73456	27593.63496	39367.91167	33881.00287	42529.22925	61967.48194	36703.54311	60992.28366	49473.3353	32027.93935	37401.59869	39447.1836	34577.84261
TG 54:0; [M+NH4]+@11.32	34820.02187	7899.630931	43875.75495	165097.6229	71406.8264	92005.87748	137170.8423	202129.2958	73860.55761	58420.44948	53471.2452	41456.44813	209385.0349	93156.79664	82711.06768	53225.04385	36206.09325	25722.85158	96329.88028	161001.2789	52420.97299
TG 54:1; [M+NH4]+@11.10	640476.8256	342227.5075	249867.7215	891467.2521	635765.2216	480763.2125	548034.6897	1009825.095	599132.1771	334731.9986	576143.4262	417216.1156	990221.3545	1056123.983	868290.9028	210643.955	219255.9091	262886.9934	824771.1959	1041975.003	568404.9668
TG 54:2; [M+NH4]+@10.80	2512279.072	1659415.303	872427.4345	2735520.892	2491165.807	3985808.404	1833171.811	2642384.561	2207081.348	1300026.781	1444382.62	1921924.102	2508320.332	2727280.825	3094980.269	990098.3402	1131676.08	904967.0934	2862954.428	4399881.838	2311955.898
TG 54:3; [M+NH4]+@10.68	2824863.847	3787823.79	2181767.381	3819453.706	3800429.439	4992799.616	2933273.061	3379859.468	2748780.687	2758034.532	1815061.311	2353084.852	3115544.283	3187726.961	2984048.903	1887489.127	2382721.632	1903897.675	2960082.884	4581912.754	3121602.75
TG 54:4; [M+NH4]+@10.46	3885792.99	29224591.17	11667787.88	2420818.776	5946160.81	5106668.745	2511898.218	1968081.741	1266459.923	8526584.173	10735538.32	6486228.492	4288790.189	4621262.835	4055924.278	8253958.919	11287390.43	17883370.31	5169920.848	4114027.693	3601578.994
TG 54:5; [M+NH4]+@10.27	3520518.284	30294953.69	8651195.997	1994368.15	5731830.867	4390624.536	2096718.304	1519349.859	996010.2231	8664517.015	10768602.84	5183801.793	3321424.467	3916284.913	3942391.126	8596411.202	10846958.19	16639843.05	4495351.33	3399743.818	3346262.827
TG 54:6; [M+NH4]+@10.10	1903731.884	4295508.169	1137991.456	2094984.348	2636507.407	2727187.485	1642849.985	1802114.246	1549072.66	2456167.981	2408517.728	1554471.053	1758344.122	2666987.511	2694031.024	2732403.752	2081458.395	1724406.584	2725016.059	3041193.989	2631561.965
TG 54:7; [M+NH4]+@9.92	721680.8117	1753990.215	353912.5449	759216.2161	1077295.391	1307731.693	569326.5186	660949.1794	706044.8982	751255.6223	755283.9819	478352.2638	763838.2364	1476160.398	1226249.924	1395707.066	901490.3555	464844.0942	1013417.478	1412345.46	1025669.352
TG 54:8; [M+NH4]+@9.75	152755.3274	358475.4414	97881.8101	144435.5345	206363.9296	316029.242	109205.8261	141677.9529	122085.0105	166879.6173	190048.0375	104240.3919	174761.9602	393634.8205	227196.9681	318717.1346	190955.1016	117166.4581	178360.8395	209290.0759	178247.5356
TG 54:9; [M+NH4]+@9.70	19783.40507	37484.94869	16848.98362	15928.4095	21175.44438	35790.74448	14934.00788	13261.01816	19442.23426	17252.80436	39896.68468	18758.12331	42598.71284	79262.91116	45565.76113	44779.66009	32068.68824	16857.23703	26062.97692	25194.05924	25701.20252
TG 55:0; [M+NH4]+@11.18	2367.154036	2448.649413	8325.423721	8001.353504	8011.848747	6669.052267	6213.026727	7787.530578	7466.985799	1847.391651	3632.73256	4750.187168	5353.059911	7321.376122	9112.905202	4375.286734	2848.716859	1780.291129	4194.485882	4148.751093	3263.94566
TG 55:1; [M+NH4]+@11.22	27920.39326	12052.04154	16541.13234	1341.307919	17828.3992	40213.18751	44714.13309	18997.57505	23267.70308	15366.79101	24636.40139	23665.83446	46020.40963	29750.53433	39976.09789	14802.74913	17625.83791	8576.844182	10515.42136	15721.61988	11603.41637
TG 55:2; [M+NH4]+@11.02	21781.8911	34837.07608	18219.14439	34962.96201	41085.43366	48937.85294	32342.47337	30803.54599	40955.29068	18130.40488	29001.98518	31987.12618	33718.13856	64830.93799	42846.92787	26117.21664	28611.79459	7413.025785	49527.9646	38147.48884	26636.42665
TG 55:3; [M+NH4]+@10.82	53285.89295	188759.838	200025.3389	41659.86553	90828.18052	93128.72019	68487.28524	42396.37244	24539.94667	77454.5173	87887.18825	116362.1087	93333.21111	63767.67788	58607.26897	100539.4307	112144.0456	210840.9932	58919.70576	52628.17706	47243.49541
TG 55:4; [M+NH4]+@10.62	30525.09884	36790.14106	33490.07332	43742.47779	43146.02777	41013.43779	41756.78614	73585.85456	29238.88673	24067.65869	39402.77529	36200.91319	41892.14867	47901.65838	53554.10323	18226.33835	25821.02409	32738.40574	38396.11296	54500.92775	40389.3824
TG 55:5; [M+NH4]+@10.55	39085.22968	30509.84332	23637.52539	49439.15554	64989.35786	50572.89752	63486.66712	76667.99931	72689.16855	21724.78893	27032.93938	40580.64257	41357.15248	67444.05369	69446.10795	26166.55509	60626.62399	33419.84055	44693.82699	56795.42994	56917.1536
TG 55:6; [M+NH4]+@10.31	33468.60303	27843.77879	38729.52224	50745.29707	41716.74406	63106.64853	34512.69679	63397.44307	61658.19913	32585.60295	37993.04126	36751.79841	97847.43574	109071.8429	70790.29305	55800.36328	47551.21534	29737.34826	49076.98738	54038.74462	58290.89798
TG 55:7; [M+NH4]+@10.14	26261.57262	27067.41014	35803.94318	25117.98073	32849.69822	45296.33609	19870.64586	24535.09544	21785.56532	30446.20886	26662.86034	37980.72014	52703.14782	112561.4455	62934.2382	23397.73162	30404.57898	20770.15377	34844.0017	38777.21999	30346.05698
TG 55:8; [M+NH4]+@10.02	6579.022687	8544.747321	8716.50964	12951.72576	17848.811	30962.14167	11375.03266	19118.51488	14386.2524	9339.387088	10255.0377	10600.30107	22358.81944	48694.14477	15631.41438	12385.73727	11157.63896	6170.646701	9733.267277	12348.64761	11360.49186
TG 56:0; [M+NH4]+@11.60	13948.13933	163.542941	2663.7602	11727.87404	12801.094	24647.18258	21933.55568	20023.97401	8003.435654	3667.954322	13368.11519	10831.73175	19073.63492	15406.43309	8365.891659	2178.809605	3283.045971	3909.578355	6476.492447	9749.409715	5870.734406
TG 56:1; [M+NH4]+@11.34	79412.68416	29749.15773	21756.21459	140052.2036	61550.43538	136454.7839	59859.87212	104438.9971	74718.27247	29980.87878	98123.16753	41219.6817	134010.2287	129457.9131	100346.3275	29431.19453	41135.82407	11366.49949	53126.49463	83157.95519	37087.88845
TG 56:10; [M+NH4]+@9.72	19479.19564	58148.50693	29697.20753	21498.8335	22903.12954	51425.71733	18917.15525	20806.22879	22361.76216	38211.33236	49162.91341	14090.18558	71736.25227	109550.8702	40166.46286	121895.6268	53962.70312	29348.67856	27585.97608	28596.23328	30490.7899
TG 56:2; [M+NH4]+@11.12	151025.7582	108531.9946	92658.22812	230119.6551	202757.7782	269924.1872	134703.3227	208886.8177	137042.3396	159115.8603	149019.8643	136297.0294	245880.2213	209733.573	255753.9862	107362.5181	144662.4014	107199.0411	135546.7238	307245.0301	104364.6604
TG 56:3; [M+NH4]+@10.92	267544.4487	267578.9611	82337.07394	218268.7308	332518.7756	382169.0773	186619.4922	247886.0606	198636.2483	159707.214	182401.6094	201238.9388	266685.6224	273004.1485	336377.0669	118591.616	205585.1501	128892.6199	184141.4334	275926.6868	159011.8634
TG 56:4; [M+NH4]+@10.77	256695.4939	337023.7428	170692.4979	246906.727	344802.9634	290281.474	291897.698	383591.9734	299411.2344	270883.8509	197597.1027	244664.1106	300604.4037	314332.1207	331178.083	232190.9647	229311.7956	248483.3872	261242.8998	496761.835	325170.5586
TG 56:5; [M+NH4]+@10.60	531543.3243	648815.0315	191425.9215	668751.4608	1226152.947	1149976.363	654752.991	1076891.819	757141.6502	556429.6589	357421.0493	568080.2914	428983.445	676553.0919	1003076.683	386597.7619	489821.3058	383904.1254	853127.4147	1448072.609	919557.5938
TG 56:6; [M+NH4]+@10.43	607768.4205	4388197.157	2592655.99	362242.6343	985611.1903	823374.4176	575645.5088	387305.7107	263710.3301	1719678.817	2235742.319	1329614.575	1168965.312	1540881.766	1108869.788	2608410.594	2584758.993	6325120.091	1062360.562	862717.4083	816499.4182
TG 56:7; [M+NH4]+@10.23	689598.7113	1136893.936	712961.1478	792638.9335	902734.6035	1286235.712	744258.9167	829077.4356	786541.5688	847555.1718	853962.2685	802716.5615	1200650.616	2137200.971	1545785.044	1266941.041	816976.4963	1032648.775	1169522.758	1275234.255	1137164.516
TG 56:8; [M+NH4]+@10.07	417229.1432	3866630.883	2180493.121	222034.2426	663677.4404	628399.6297	299925.0689	221845.2091	150712.431	1072000.276	2152826.229	710949.1604	993348.9762	1518192.149	917663.9095	2653942.646	1844443.999	3928851.567	731808.3628	571137.4324	490033.1462
TG 56:9; [M+NH4]+@9.86	127463.5413	322228.9978	147510.0849	109473.7969	138264.844	222358.3697	103537.7	113891.2062	116055.3336	174203.0277	284931.7336	116495.9969	217919.9825	408316.219	257494.8095	496830.9374	210264.182	181833.2815	170418.3523	207556.3617	173952.5197
TG 57:2; [M+NH4]+@11.25	19563.02611	9258.326382	5931.187731	34835.26041	28429.38166	39257.63422	11772.37746	27324.07723	25401.43553	6202.919023	6875.195519	764.572079	17407.92283	18264.55318	27178.23119	4468.069033	11118.78674	4617.953205	24429.0061	34626.29543	28026.42728
TG 57:6; [M+NH4]+@10.57	9740.09896	6783.880435	17374.99511	12270.90064	11178.56224	17711.42881	11151.33376	19717.317	7480.596319	8726.510593	5342.0766	26419.98668	35850.55098	68977.66717	15839.7767	19258.68832	13404.89553	9907.5628	8389.785939	14926.34775	11056.13427
TG 57:9; [M+NH4]+@10.05	4609.930972	9140.602324	7693.668395	2667.177541	2766.026137	7899.394263	3479.886169	8028.141114	4873.5353	5587.449944	2796.610124	9269.195639	13736.91571	11045.25757	7072.839399	9338.755063	8480.597569	5815.180221	3295.916094	4869.791538	8811.152087
TG 58:1; [M+NH4]+@11.60	25660.25465	8369.309263	5319.103145	22708.70464	22979.83935	42564.93145	23813.52963	25846.477	15065.46021	9230.59782	47681.63515	20483.66202	35801.86975	50788.63689	56848.88497	13802.60098	14642.96314	9810.728636	14840.0504	17932.20637	9113.166729
TG 58:10; [M+NH4]+@9.98	81836.52581	240238.0582	83962.42964	56874.09426	64963.22597	116776.9242	81018.62387	66197.24307	74533.5233	103325.6247	189246.8992	79354.66244	172768.9868	279603.6496	219330.9792	398811.0533	131618.2668	159377.6045	151563.1456	183101.0171	130880.7961
TG 58:11; [M+NH4]+@9.80	21085.35765	96257.57125	50527.08789	17249.36845	19097.63777	41275.3191	21535.77683	22640.36813	21624.1207	40425.26422	68160.87593	19908.76972	108365.1102	164950.1842	82633.98477	171369.0826	43251.87898	50656.40192	43048.5853	33891.26685	43628.73678
TG 58:12; [M+NH4]+@9.62	2760.952656	12804.3206	9820.85182	3366.077043	2240.798606	7376.254705	2365.0525	3685.222013	3918.910202	4558.002492	8182.309288	3189.919722	21350.96491	44693.97483	17222.96142	39598.8242	7398.322411	4731.257782	3826.602862	3726.777651	4678.924464
TG 58:2; [M+NH4]+@11.37	114597.6892	43098.24364	11698.448	65680.90593	36562.36954	111489.8276	36435.77011	38486.97416	39944.01601	30805.0903	112597.4334	33172.07898	88420.33401	86548.59434	66896.95965	26582.21398	52413.50588	18825.78359	37880.07175	58298.94041	19151.80991
TG 58:3; [M+NH4]+@11.17	44277.48323	54888.70312	12554.53566	57834.339	41546.21364	54128.29287	26868.11425	43849.90913	32436.89301	43881.51988	86108.45816	43961.47291	65780.2688	79024.76007	77104.62975	38245.41443	43790.40723	23508.40158	32375.08447	58871.78691	32381.22551
TG 58:4; [M+NH4]+@10.97	26526.32202	38495.40612	13518.15877	31225.33929	25767.93892	26368.39187	27952.96072	34831.49923	30125.3167	27387.61224	40410.72935	43218.56405	37530.68794	43803.45014	60659.74863	28217.36875	38659.67391	29499.73936	32591.87384	32381.22301	23091.93866
TG 58:5; [M+NH4]+@10.83	25002.28734	57999.70817	20452.22998	46447.99243	48220.06134	46224.68816	53540.35988	62108.63225	48147.70459	48183.53922	40906.94857	48017.0725	42192.65213	70340.47292	67521.25772	51836.86043	81329.11349	33541.10974	62773.85608	100680.8904	52608.97329
TG 58:6; [M+NH4]+@10.65	48807.68421	88932.59854	78577.46706	56514.69652	71810.35891	66752.21476	72513.47757	73445.73706	72824.61986	86669.24843	63970.0809	87094.64332	103040.0552	114601.3436	124016.4147	91039.26385	176727.6028	105027.8139	111974.2558	120824.2372	97553.29878
TG 58:7; [M+NH4]+@10.47	81408.61727	820435.7447	576141.756	46307.22154	131653.319	130847.9588	68780.72063	61467.97718	42235.11505	262464.9836	265978.5567	205817.982	264539.8395	345258.1151	196395.9659	493450.025	817111.6121	1031589.062	174393.7991	123003.1758	122274.1034
TG 58:8; [M+NH4]+@10.32	130907.2971	369819.715	167424.1583	113546.1978	146457.5267	233059.7984	132440.6865	149372.7846	126762.115	165916.4762	131414.5161	148625.6996	247835.915	397029.2321	252392.4745	293453.0599	277227.1044	206780.6818	166436.6073	231863.1075	205409.6124
TG 58:9; [M+NH4]+@10.18	106441.8322	400090.953	163441.8924	93289.42287	116528.9519	186176.0558	134465.0404	122279.0834	116797.8743	160330.3072	211731.1614	102420.0626	230995.1518	354826.1154	232159.632	401867.3188	218746.888	235254.3298	186636.3984	227350.3662	194268.2159
TG 60:1; [M+NH4]+@11.88	11192.39823	1891.472728	1943.974373	9819.284224	4101.052525	10898.35815	4672.725901	5947.796354	4695.671606	2142.791443	11159.63427	2170.65028	11822.79652	6809.489783	7546.46359	2312.020408	5485.905515	2250.482787	4961.909543	5080.794066	2511.504314
TG 60:10; [M+NH4]+@10.21	22467.71271	38010.19801	28053.84709	16827.13293	22911.94848	34695.90854	23073.51481	20492.7363	23766.77237	26355.7376	27342.90055	25035.15294	46432.57669	78976.35537	41430.06937	71197.3816	52669.29364	37456.12896	31448.33927	39438.91302	34420.0797
TG 60:11; [M+NH4]+@10.11	18122.00641	31716.46596	16137.96239	17125.75349	25846.49771	43119.69802	30362.09573	33100.15038	20492.1519	22861.25058	23943.81061	15297.14122	55361.10333	109156.6246	68259.49327	56000.01685	31006.08893	27595.15072	47356.56672	43367.63441	32049.02586
TG 60:12; [M+NH4]+@9.90	10455.74729	24022.37737	29723.88588	7049.401198	9738.605262	15036.03909	12539.29196	13136.71542	11054.24811	17402.74704	15938.1316	11202.50228	59543.76679	117285.8804	38844.11837	85521.68072	26629.89562	20997.85517	13087.03474	21882.71995	16185.1767
TG 60:13; [M+NH4]+@9.77	1951.924371	11759.36851	4193.771049	3359.069857	3159.630643	4724.377909	2484.806549	3406.207448	2850.640434	2173.376867	3995.435128	2710.116202	9268.559943	33242.70502	15892.58209	21520.75972	5316.587112	2269.494723	5607.205376	4431.215358	3369.101033
TG 60:6; [M+NH4]+@10.96	5436.579754	10105.57035	4864.391801	6580.309297	9962.764705	4485.540536	7125.419314	9748.016931	5585.510762	6714.706567	11124.98294	14877.58797	9219.114144	14069.26836	13758.17735	7310.803992	47427.24139	7202.69539	9188.49775	11509.91506	4142.15504
TG 60:7; [M+NH4]+@10.71	17083.96812	11353.43452	5472.295397	4791.699821	8859.224139	15087.51878	4837.774459	15786.4177	23940.71777	8555.824907	7544.905002	17941.22845	9644.159068	25474.54018	23043.75007	10872.2497	55912.79507	9790.221417	8861.984053	23864.75502	16429.64954
TG 60:8; [M+NH4]+@10.57	23621.01171	17955.50662	13241.60937	8969.571704	8387.739751	28016.85486	10590.71025	17420.10628	12385.71267	13297.83895	11911.3154	11746.18587	21639.51979	42488.24253	23436.44629	32016.68709	91462.8103	23021.08073	25723.37366	31077.78779	22895.92174
TG 60:9; [M+NH4]+@10.39	18504.07457	25059.551	13078.46088	16595.12061	26317.52812	32722.65869	17278.19532	19582.65888	18291.95595	20758.7008	15683.29472	18399.27869	26044.73576	48413.0341	48276.06977	22648.6792	74886.69764	29157.69826	32707.24322	55311.72348	28768.32389
TG 62:1; [M+NH4]+@12.21	1310.26828	282.3227934	204.9910694	3325.853526	962.5225205	3264.167535	503.3346274	1298.055755	556.4082869	600.0985488	2658.302912	663.9544875	1463.275015	921.265209	987.9557261	583.3942964	468.4259858	228.6875102	1391.794881	1194.713467	205.0080274
TG 62:13; [M+NH4]+@9.93	808.7298703	4514.806444	10662.9179	2480.150343	917.6460094	3288.986736	1715.779004	1309.018128	4995.728285	3554.581415	3577.322092	1169.872975	12049.79255	22295.28597	6062.399547	13776.79533	4815.114649	6932.81489	1193.44948	1321.001165	3363.983075
TG 62:14; [M+NH4]+@9.87	1124.2198	8633.714562	5764.161097	330.5203221	525.3233841	1394.498387	1559.449481	470.4616068	1009.599437	3076.820716	1098.206445	3768.747301	7288.39949	14493.43914	5692.150165	17058.94033	4602.188816	3975.367981	2189.034908	2155.990796	2363.010682
TG 62:15; [M+NH4]+@9.70	212.452132	1482.213737	1158.199849	175.6182192	214.8169633	1305.163458	247.834877	103.3114443	2411.53622	1101.763854	364.5004724	1579.482558	2706.54905	5753.652607	1488.200896	2443.772052	648.2411254	388.401814	2117.554272	364.199437	400.8095778
TG 62:9; [M+NH4]+@10.56	3813.517896	1561.433872	3197.154774	1161.319719	962.909852	3228.650577	1574.21299	1890.953702	2907.531767	2140.912393	1975.963287	2525.694932	4034.089929	6924.192505	3336.876042	4218.426553	19483.09671	1601.632802	2108.872587	4424.65882	1599.927178
lysoPC 16:0; [M+H]+@1.62	8771967.056	6792155.435	4019925.157	9359546.818	11186300.85	11938014.46	7927356.815	8109299.343	7238383.514	5692370.474	6384930.192	8128826.348	7139193.735	8568853.811	7756902.904	12507031.3	6837698.99	6846947.853	11755071.45	9972644.639	11267498.79
lysoPC 18:0; [M+H]+@2.45	3484511.176	2699267.751	1973542.075	4214233.667	4568289.932	6087224.774	3954227.851	3946964.171	3268556.509	2273831.696	2916216.733	3693571.715	4101440.461	4256443.085	3202488.733	5478721.295	3143691.333	3565529.4	4805255.818	4696730.173	4813870.603
lysoPC 18:2; [M+H]+@1.35	3397324.277	3915164.427	2963356.5	5140277.639	4792801.695	4845837.343	3722212.082	3107010.208	3269121.16	2849306.015	4801270.705	2678347.581	4937439.36	3605039.545	2235980.639	7556426.429	2258107.267	3546848.99	3784869.848	2640877.358	3513457.418
lysoPC 19:0; [M+H]+@2.99	30544.88049	22758.17205	14816.20194	30970.54913	31679.70489	33752.15101	25712.5078	25805.70909	17573.80954	18898.29271	22586.27476	28667.644	22847.74242	25927.6484	23790.67535	29519.04879	25795.90163	19433.01852	28110.03276	26273.94111	31993.14127
lysoPC 20:2; [M+H]+@1.79	27264.67527	36538.41881	20853.56639	35504.04558	36912.09596	46541.9439	32621.15193	44132.09643	45955.93335	44383.80236	41562.21691	36650.36707	31704.90078	22380.42956	19638.82692	50045.07151	20408.78718	30418.02779	52453.3877	27581.47612	53419.28099
lysoPC 20:3; [M+Na]+@1.36	234129.2529	222456.1291	267452.4762	157723.6949	169674.3251	402137.5412	94910.84897	77235.3124	149038.515	63707.96696	67757.79853	92993.92328	318992.1383	377203.7721	147658.2704	278398.915	55390.4434	158669.4649	252978.3565	117793.4182	195733.3449
lysoPC 22:0; [M+H]+@4.37	5172.058478	8131.060038	2545.065651	5416.790143	4165.731456	5698.659118	4083.79104	5454.497795	3515.324431	4661.347645	9636.177735	5920.829679	4086.438665	6584.608686	4500.787887	10657.44433	9655.099746	7272.080193	7227.263606	7615.75822	7592.878863
lysoPC 22:4; [M+H]+@1.91	13331.44372	12300.92028	9996.92413	17224.68471	23409.37794	19275.26337	32369.36775	16172.68261	23465.09163	10510.34463	12613.86401	9946.573479	21296.42413	17905.33192	14110.58602	31802.71083	4803.474518	22666.6994	25695.00779	22516.46759	31600.90546
lysoPC 24:1; [M+H]+@4.41	3465.763794	3444.61855	3526.308538	5716.946553	3749.712598	4014.848904	3271.14044	2667.397916	2967.410065	3710.529307	5220.875781	4731.103483	2896.410432	4805.449007	2650.731424	5683.079892	4226.130796	2976.378248	3983.695675	4039.161424	3465.995994
plasmenyl-PC 31:0; [M+Na]+@5.41	7300.174184	6321.475911	2783.371338	3367.206594	7879.62115	13231.83437	6693.245636	22151.85186	7631.461248	5231.753706	6970.046719	6756.504079	3476.332316	7208.248807	10890.82316	3432.697203	3354.935131	2083.156582	10753.02021	4847.906398	7844.176508
plasmenyl-PC 36:4; [M+Na]+@6.70	24293.56219	18685.55879	16752.52978	8993.57505	23915.67099	18955.49372	18238.49556	9632.6218	22873.12815	16257.25382	13554.9994	15708.84116	13919.49778	23406.84602	26226.51762	18756.5093	12429.22105	21991.61452	19035.02678	12397.70593	11429.48548
plasmenyl-PC 38:0; [M+Na]+@8.07	110259.1643	83660.18492	84424.60239	106852.0511	129611.9722	168949.5472	183871.7602	96809.58993	124039.9138	78902.75819	102532.8508	115905.7858	114582.2259	145645.0048	156401.6033	188131.8406	161257.6572	143485.2874	221006.8353	245143.1982	215431.6041
plasmenyl-PC 40:0; [M+Na]+@8.61	57179.64846	42137.76666	37124.38429	40091.77109	52881.8736	43099.9506	32920.30761	45231.94976	43406.98798	45005.20174	60133.19839	61008.3441	62235.74515	120025.8149	184377.6568	100969.8354	36498.79511	88539.95448	78789.28581	70854.12194	67728.72457
plasmenyl-PC 40:3; [M+Na]+@8.08	9263.876509	8487.497545	9077.353781	18556.48575	16253.36162	16205.05106	18821.5044	23381.24125	20523.26006	12155.78036	8678.034362	15926.72368	16994.29301	23859.1647	25689.33849	16043.17279	12337.68176	15401.49279	21516.94685	23972.99345	19240.22031
plasmenyl-PC 42:4; [M+Na]+@8.07	14779.09381	17736.17376	13860.85516	18361.92608	18877.61345	21224.08114	22589.17266	18013.59675	21505.29303	16268.49634	12405.78911	16363.69517	47871.81897	33065.50873	19792.19603	28657.1685	24134.13535	19545.2451	20876.1321	29834.18505	41046.14804
plasmenyl-PC 44:4; [M+Na]+@8.63	19952.89152	39217.29917	25396.12871	24879.01856	22917.05824	23950.42396	35225.38516	22642.68868	28947.76123	41372.85147	31649.91398	28958.54078	34556.61749	66322.6134	48444.73376	52832.08807	33177.42355	51652.29782	47222.70531	58436.61219	46186.33657
plasmenyl-PC 44:4; [M+Na]+@8.51	19952.89152	39217.29917	25396.12871	24879.01856	22917.05824	23950.42396	35225.38516	22642.68868	28947.76123	41372.85147	31649.91398	28958.54078	34556.61749	66322.6134	48444.73376	52832.08807	33177.42355	51652.29782	47222.70531	58436.61219	46186.33657
plasmenyl-PE 40:4; [M+H]+@7.88	18360.09589	29452.21463	21615.25634	38656.27026	27798.86231	22335.38595	72337.65033	48435.14203	24075.47021	37886.75466	45170.79541	16042.75354	43366.51238	57259.54237	52003.26069	34559.75877	22666.71472	39232.9124	56920.73959	72312.01249	49156.4023
plasmenyl-PE 42:6; [M+H]+@7.82	5508.427055	3774.284662	7141.531587	9032.992946	8903.676901	11025.6395	9040.582944	7116.720193	7846.731874	3733.700456	7547.967214	6672.741342	8747.962079	20574.02959	7584.135089	10748.01137	16948.05618	12588.31402	15383.54337	3321.591861	2774.223949
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
CE(18:2); [M+NH4]+@10.66		10.66		5287939			LMST01020008	LipidMaps
CE(20:4); [M+NH4]+@10.56		10.56		6479222			LMST01020014	LipidMaps
DG 30:0; [M+NH4]+@7.39		7.39					DG(30:0)	LipidMaps Bulk ID
DG 30:1; [M+NH4]+@6.93		6.93					DG(30:1)	LipidMaps Bulk ID
DG 31:0; [M+NH4]+@7.60		7.6					DG(31:0)	LipidMaps Bulk ID
DG 32:0; [M+NH4]+@7.97		7.97					DG(32:0)	LipidMaps Bulk ID
DG 32:1; [M+NH4]+@7.51		7.51					DG(32:1)	LipidMaps Bulk ID
DG 32:2; [M+NH4]+@7.09		7.09					DG(32:2)	LipidMaps Bulk ID
DG 33:0; [M+NH4]+@8.15		8.15					DG(33:0)	LipidMaps Bulk ID
DG 33:1; [M+NH4]+@7.76		7.76					DG(33:1)	LipidMaps Bulk ID
DG 33:2; [M+NH4]+@7.35		7.35					DG(33:2)	LipidMaps Bulk ID
DG 34:0; [M+NH4]+@8.43		8.43					DG(34:0)	LipidMaps Bulk ID
DG 34:2; [M+NH4]+@7.65		7.65					DG(34:2)	LipidMaps Bulk ID
DG 34:3; [M+NH4]+@7.20		7.2					DG(34:3)	LipidMaps Bulk ID
DG 34:4; [M+NH4]+@6.82		6.82					DG(34:4)	LipidMaps Bulk ID
DG 35:1; [M+NH4]+@8.24		8.24					DG(35:1)	LipidMaps Bulk ID
DG 35:2; [M+NH4]+@7.87		7.87					DG(35:2)	LipidMaps Bulk ID
DG 36:0; [M+NH4]+@8.89		8.89					DG(36:0)	LipidMaps Bulk ID
DG 36:1; [M+NH4]+@8.50		8.5					DG(36:1)	LipidMaps Bulk ID
DG 36:2; [M+NH4]+@8.21		8.21					DG(36:2)	LipidMaps Bulk ID
DG 36:3; [M+NH4]+@7.71		7.71					DG(36:3)	LipidMaps Bulk ID
DG 36:5; [M+NH4]+@6.99		6.99					DG(36:5)	LipidMaps Bulk ID
DG 36:6; [M+NH4]+@6.66		6.66					DG(36:6)	LipidMaps Bulk ID
DG 38:1; [M+NH4]+@8.62		8.62					DG(38:1)	LipidMaps Bulk ID
DG 38:2; [M+NH4]+@8.43		8.43					DG(38:2)	LipidMaps Bulk ID
DG 38:3; [M+NH4]+@8.24		8.24					DG(38:3)	LipidMaps Bulk ID
DG 38:4; [M+NH4]+@7.91		7.91					DG(38:4)	LipidMaps Bulk ID
DG 38:5; [M+NH4]+@7.54		7.54					DG(38:5)	LipidMaps Bulk ID
DG 38:6; [M+NH4]+@7.30		7.3					DG(38:6)	LipidMaps Bulk ID
DG 38:7; [M+NH4]+@6.92		6.92					DG(38:7)	LipidMaps Bulk ID
DG 40:5; [M+NH4]+@8.10		8.1					DG(40:5)	LipidMaps Bulk ID
DG 40:6; [M+NH4]+@7.75		7.75					DG(40:6)	LipidMaps Bulk ID
DG 40:8; [M+NH4]+@7.18		7.18					DG(40:8)	LipidMaps Bulk ID
MG 15:1; [M+NH4]+@0.88		.88					MG 15:1	LipidBLAST
MG 16:0; [M+NH4]+@2.81		2.81					MG(16:0)	LipidMaps Bulk ID
MG 16:1; [M+NH4]+@2.06		2.06					MG 16:1	LipidBLAST
MG 17:0; [M+Li]+@3.20		3.2		107036			LMGL01010002	LipidMaps
MG 18:0; [M+NH4]+@3.72		3.72		24699			LMGL01010003	LipidMaps
MG 18:2; [M+NH4]+@2.36		2.36		5283469			LMGL01010006	LipidMaps
PC 30:3; [M+H]+@5.39		5.39					PC(30:3)	LipidMaps Bulk ID
PC 31:0; [M+Na]+@5.71		5.71					PC(31:0)	LipidMaps Bulk ID
PC 32:3; [M+H]+@6.13		6.13					PC(32:3)	LipidMaps Bulk ID
PC 32:4; [M+H]+@5.56		5.56					PC(32:4)	LipidMaps Bulk ID
PC 34:1; [M+H]+@6.79		6.79					PC(34:1)	LipidMaps Bulk ID
PC 34:2; [M+H]+@6.32		6.32					PC(34:2)	LipidMaps Bulk ID
PC 34:6; [M+H]+@5.31		5.31					PC(34:6)	LipidMaps Bulk ID
PC 35:4; [M+Na]+@6.07		6.07					PC(35:4)	LipidMaps Bulk ID
PC 35:5; [M+H]+@6.11		6.11					PC(35:5)	LipidMaps Bulk ID
PC 36:2; [M+H]+@6.97		6.97					PC(36:2)	LipidMaps Bulk ID
PC 36:4; [M+H]+@6.02		6.02					PC(36:4)	LipidMaps Bulk ID
PC 36:6; [M+H]+@5.98		5.98					PC(36:6)	LipidMaps Bulk ID
PC 36:7; [M+H]+@5.56		5.56					PC(36:7)	LipidMaps Bulk ID
PC 37:5; [M+Na]+@6.11		6.11					PC(37:5)	LipidMaps Bulk ID
PC 37:7; [M+H]+@6.05		6.05					PC(37:7)	LipidMaps Bulk ID
PC 38:6; [M+H]+@6.21		6.21					PC(38:6)	LipidMaps Bulk ID
PC 38:8; [M+H]+@5.39		5.39					PC(38:8)	LipidMaps Bulk ID
PC 38:9; [M+Na]+@5.15		5.15					PC(38:9)	LipidMaps Bulk ID
PC 39:8; [M+H]+@6.12		6.12					PC(39:8)	LipidMaps Bulk ID
PC 40:10; [M+H]+@5.61		5.61					PC(40:10)	LipidMaps Bulk ID
PC 40:8; [M+H]+@6.61		6.61					PC(40:8)	LipidMaps Bulk ID
PC 40:9; [M+H]+@5.53		5.53					PC(40:9)	LipidMaps Bulk ID
PC 42:11; [M+H]+@5.88		5.88					PC(42:11)	LipidMaps Bulk ID
PC 42:5; [M+Na]+@7.66		7.66					PC(42:5)	LipidMaps Bulk ID
PC 42:7; [M+H]+@7.60		7.6					PC(42:7)	LipidMaps Bulk ID
PC 42:8; [M+H]+@7.21		7.21					PC(42:8)	LipidMaps Bulk ID
PE 35:1; [M+H]+@7.21		7.21					PE(35:1)	LipidMaps Bulk ID
SM 30:1; [M+Na]+@4.45		4.45					SM 30:1	LipidBLAST
SM 32:1; [M+Na]+@5.21		5.21		11433862
SM 32:2; [M+Na]+@4.63		4.63					SM 32:2	LipidBLAST
SM 33:1; [M+Na]+@5.60		5.6		52931139
SM 33:2; [M]+@5.06		5.06					SM 33:2	LipidBLAST
SM 34:1; [M]+@5.90		5.9					SM 34:1	LipidBLAST
SM 34:2; [M+Na]+@5.39		5.39					SM 34:2	LipidBLAST
SM 35:1; [M+Na]+@6.07		6.07					SM 35:1	LipidBLAST
SM 35:2; [M+Na]+@5.81		5.81					SM 35:2	LipidBLAST
SM 36:1; [M+Na]+@6.67		6.67		44260139
SM 36:2; [M+Na]+@6.13		6.13					SM 36:2	LipidBLAST
SM 38:1; [M+Na]+@7.34		7.34					SM 38:1	LipidBLAST
SM 38:2; [M+Na]+@6.81		6.81					SM 38:2	LipidBLAST
SM 39:1; [M+Na]+@7.67		7.67					SM 39:1	LipidBLAST
SM 40:1; [M+Na]+@7.87		7.87					SM 40:1	LipidBLAST
SM 40:2; [M+Na]+@7.46		7.46					SM 40:2	LipidBLAST
SM 41:1; [M+Na]+@8.18		8.18					SM 41:1	LipidBLAST
SM 41:2; [M+Na]+@7.74		7.74					SM 41:2	LipidBLAST
SM 42:0; [M+Na]+@8.04		8.04		44260134
SM 42:1; [M+Na]+@8.43		8.43		44260133
SM 42:2; [M+Na]+@7.93		7.93					SM 42:2	LipidBLAST
SM 42:4; [M]+@7.01		7.01					SM 42:4	LipidBLAST
SM 42:5; [M]+@6.61		6.61					SM 42:5	LipidBLAST
SM 43:1; [M+Na]+@8.54		8.54					SM 43:1	LipidBLAST
SM 43:2; [M+Na]+@8.28		8.28					SM 43:2	LipidBLAST
SM 44:2; [M+Na]+@8.49		8.49					SM 44:2	LipidBLAST
TG 40:0; [M+NH4]+@9.47		9.47					TG(40:0)	LipidMaps Bulk ID
TG 40:1; [M+NH4]+@9.18		9.18					TG(40:1)	LipidMaps Bulk ID
TG 42:0; [M+NH4]+@9.79		9.79					TG(42:0)	LipidMaps Bulk ID
TG 42:1; [M+NH4]+@9.54		9.54					TG(42:1)	LipidMaps Bulk ID
TG 42:2; [M+NH4]+@9.26		9.26					TG(42:2)	LipidMaps Bulk ID
TG 44:1; [M+NH4]+@9.83		9.83					TG(44:1)	LipidMaps Bulk ID
TG 44:2; [M+NH4]+@9.58		9.58					TG(44:2)	LipidMaps Bulk ID
TG 46:0; [M+NH4]+@10.33		10.33					TG(46:0)	LipidMaps Bulk ID
TG 46:1; [M+NH4]+@10.08		10.08					TG(46:1)	LipidMaps Bulk ID
TG 46:2; [M+NH4]+@9.85		9.85					TG(46:2)	LipidMaps Bulk ID
TG 46:3; [M+NH4]+@9.65		9.65					TG(46:3)	LipidMaps Bulk ID
TG 48:1; [M+NH4]+@10.34		10.34					TG(48:1)	LipidMaps Bulk ID
TG 48:2; [M+NH4]+@10.12		10.12					TG(48:2)	LipidMaps Bulk ID
TG 48:3; [M+NH4]+@9.92		9.92					TG(48:3)	LipidMaps Bulk ID
TG 49:0; [M+NH4]+@10.72		10.72					TG(49:0)	LipidMaps Bulk ID
TG 49:1; [M+NH4]+@10.51		10.51					TG(49:1)	LipidMaps Bulk ID
TG 49:2; [M+NH4]+@10.30		10.3					TG(49:2)	LipidMaps Bulk ID
TG 49:3; [M+NH4]+@10.09		10.09					TG(49:3)	LipidMaps Bulk ID
TG 49:4; [M+NH4]+@9.88		9.88					TG(49:4)	LipidMaps Bulk ID
TG 50:0; [M+NH4]+@10.82		10.82					TG(50:0)	LipidMaps Bulk ID
TG 50:1; [M+NH4]+@10.54		10.54					TG(50:1)	LipidMaps Bulk ID
TG 50:2; [M+NH4]+@10.36		10.36					TG(50:2)	LipidMaps Bulk ID
TG 50:3; [M+NH4]+@10.16		10.16					TG(50:3)	LipidMaps Bulk ID
TG 50:4; [M+NH4]+@9.97		9.97					TG(50:4)	LipidMaps Bulk ID
TG 50:5; [M+NH4]+@9.77		9.77					TG(50:5)	LipidMaps Bulk ID
TG 51:1; [M+NH4]+@10.75		10.75					TG(51:1)	LipidMaps Bulk ID
TG 51:2; [M+NH4]+@10.55		10.55					TG(51:2)	LipidMaps Bulk ID
TG 51:3; [M+NH4]+@10.35		10.35					TG(51:3)	LipidMaps Bulk ID
TG 51:4; [M+NH4]+@10.17		10.17					TG(51:4)	LipidMaps Bulk ID
TG 51:5; [M+NH4]+@9.97		9.97					TG(51:5)	LipidMaps Bulk ID
TG 52:0; [M+NH4]+@11.08		11.08					TG(52:0)	LipidMaps Bulk ID
TG 52:1; [M+NH4]+@10.85		10.85					TG(52:1)	LipidMaps Bulk ID
TG 52:2; [M+NH4]+@10.60		10.6					TG(52:2)	LipidMaps Bulk ID
TG 52:3; [M+NH4]+@10.42		10.42					TG(52:3)	LipidMaps Bulk ID
TG 52:4; [M+NH4]+@10.21		10.21					TG(52:4)	LipidMaps Bulk ID
TG 52:5; [M+NH4]+@9.94		9.94					TG(52:5)	LipidMaps Bulk ID
TG 52:6; [M+NH4]+@9.84		9.84					TG(52:6)	LipidMaps Bulk ID
TG 52:7; [M+NH4]+@9.70		9.7					TG(52:7)	LipidMaps Bulk ID
TG 53:0; [M+NH4]+@11.20		11.2					TG(53:0)	LipidMaps Bulk ID
TG 53:1; [M+NH4]+@10.98		10.98					TG(53:1)	LipidMaps Bulk ID
TG 53:2; [M+NH4]+@10.78		10.78					TG(53:2)	LipidMaps Bulk ID
TG 53:3; [M+NH4]+@10.59		10.59					TG(53:3)	LipidMaps Bulk ID
TG 53:4; [M+NH4]+@10.39		10.39					TG(53:4)	LipidMaps Bulk ID
TG 53:5; [M+NH4]+@10.20		10.2					TG(53:5)	LipidMaps Bulk ID
TG 53:6; [M+NH4]+@10.01		10.01					TG(53:6)	LipidMaps Bulk ID
TG 53:7; [M+NH4]+@9.83		9.83					TG(53:7)	LipidMaps Bulk ID
TG 54:0; [M+NH4]+@11.32		11.32					TG(54:0)	LipidMaps Bulk ID
TG 54:1; [M+NH4]+@11.10		11.1					TG(54:1)	LipidMaps Bulk ID
TG 54:2; [M+NH4]+@10.80		10.8					TG(54:2)	LipidMaps Bulk ID
TG 54:3; [M+NH4]+@10.68		10.68					TG(54:3)	LipidMaps Bulk ID
TG 54:4; [M+NH4]+@10.46		10.46					TG(54:4)	LipidMaps Bulk ID
TG 54:5; [M+NH4]+@10.27		10.27					TG(54:5)	LipidMaps Bulk ID
TG 54:6; [M+NH4]+@10.10		10.1					TG(54:6)	LipidMaps Bulk ID
TG 54:7; [M+NH4]+@9.92		9.92					TG(54:7)	LipidMaps Bulk ID
TG 54:8; [M+NH4]+@9.75		9.75					TG(54:8)	LipidMaps Bulk ID
TG 54:9; [M+NH4]+@9.70		9.7					TG(54:9)	LipidMaps Bulk ID
TG 55:0; [M+NH4]+@11.18		11.18					TG(55:0)	LipidMaps Bulk ID
TG 55:1; [M+NH4]+@11.22		11.22					TG(55:1)	LipidMaps Bulk ID
TG 55:2; [M+NH4]+@11.02		11.02					TG(55:2)	LipidMaps Bulk ID
TG 55:3; [M+NH4]+@10.82		10.82					TG(55:3)	LipidMaps Bulk ID
TG 55:4; [M+NH4]+@10.62		10.62					TG(55:4)	LipidMaps Bulk ID
TG 55:5; [M+NH4]+@10.55		10.55					TG(55:5)	LipidMaps Bulk ID
TG 55:6; [M+NH4]+@10.31		10.31					TG(55:6)	LipidMaps Bulk ID
TG 55:7; [M+NH4]+@10.14		10.14					TG(55:7)	LipidMaps Bulk ID
TG 55:8; [M+NH4]+@10.02		10.02					TG(55:8)	LipidMaps Bulk ID
TG 56:0; [M+NH4]+@11.60		11.6					TG(56:0)	LipidMaps Bulk ID
TG 56:1; [M+NH4]+@11.34		11.34					TG(56:1)	LipidMaps Bulk ID
TG 56:10; [M+NH4]+@9.72		9.72					TG(56:10)	LipidMaps Bulk ID
TG 56:2; [M+NH4]+@11.12		11.12					TG(56:2)	LipidMaps Bulk ID
TG 56:3; [M+NH4]+@10.92		10.92					TG(56:3)	LipidMaps Bulk ID
TG 56:4; [M+NH4]+@10.77		10.77					TG(56:4)	LipidMaps Bulk ID
TG 56:5; [M+NH4]+@10.60		10.6					TG(56:5)	LipidMaps Bulk ID
TG 56:6; [M+NH4]+@10.43		10.43					TG(56:6)	LipidMaps Bulk ID
TG 56:7; [M+NH4]+@10.23		10.23					TG(56:7)	LipidMaps Bulk ID
TG 56:8; [M+NH4]+@10.07		10.07					TG(56:8)	LipidMaps Bulk ID
TG 56:9; [M+NH4]+@9.86		9.86					TG(56:9)	LipidMaps Bulk ID
TG 57:2; [M+NH4]+@11.25		11.25					TG(57:2)	LipidMaps Bulk ID
TG 57:6; [M+NH4]+@10.57		10.57					TG(57:6)	LipidMaps Bulk ID
TG 57:9; [M+NH4]+@10.05		10.05					TG(57:9)	LipidMaps Bulk ID
TG 58:1; [M+NH4]+@11.60		11.6					TG(58:1)	LipidMaps Bulk ID
TG 58:10; [M+NH4]+@9.98		9.98					TG(58:10)	LipidMaps Bulk ID
TG 58:11; [M+NH4]+@9.80		9.8					TG(58:11)	LipidMaps Bulk ID
TG 58:12; [M+NH4]+@9.62		9.62					TG(58:12)	LipidMaps Bulk ID
TG 58:2; [M+NH4]+@11.37		11.37					TG(58:2)	LipidMaps Bulk ID
TG 58:3; [M+NH4]+@11.17		11.17					TG(58:3)	LipidMaps Bulk ID
TG 58:4; [M+NH4]+@10.97		10.97					TG(58:4)	LipidMaps Bulk ID
TG 58:5; [M+NH4]+@10.83		10.83					TG(58:5)	LipidMaps Bulk ID
TG 58:6; [M+NH4]+@10.65		10.65					TG(58:6)	LipidMaps Bulk ID
TG 58:7; [M+NH4]+@10.47		10.47					TG(58:7)	LipidMaps Bulk ID
TG 58:8; [M+NH4]+@10.32		10.32					TG(58:8)	LipidMaps Bulk ID
TG 58:9; [M+NH4]+@10.18		10.18					TG(58:9)	LipidMaps Bulk ID
TG 60:1; [M+NH4]+@11.88		11.88					TG(60:1)	LipidMaps Bulk ID
TG 60:10; [M+NH4]+@10.21		10.21					TG(60:10)	LipidMaps Bulk ID
TG 60:11; [M+NH4]+@10.11		10.11					TG(60:11)	LipidMaps Bulk ID
TG 60:12; [M+NH4]+@9.90		9.9					TG(60:12)	LipidMaps Bulk ID
TG 60:13; [M+NH4]+@9.77		9.77					TG(60:13)	LipidMaps Bulk ID
TG 60:6; [M+NH4]+@10.96		10.96					TG(60:6)	LipidMaps Bulk ID
TG 60:7; [M+NH4]+@10.71		10.71					TG(60:7)	LipidMaps Bulk ID
TG 60:8; [M+NH4]+@10.57		10.57					TG(60:8)	LipidMaps Bulk ID
TG 60:9; [M+NH4]+@10.39		10.39					TG(60:9)	LipidMaps Bulk ID
TG 62:1; [M+NH4]+@12.21		12.21					TG(62:1)	LipidMaps Bulk ID
TG 62:13; [M+NH4]+@9.93		9.93					TG(62:13)	LipidMaps Bulk ID
TG 62:14; [M+NH4]+@9.87		9.87					TG(62:14)	LipidMaps Bulk ID
TG 62:15; [M+NH4]+@9.70		9.7					TG(62:15)	LipidMaps Bulk ID
TG 62:9; [M+NH4]+@10.56		10.56					TG(62:9)	LipidMaps Bulk ID
lysoPC 16:0; [M+H]+@1.62		1.62					LPC(16:0)	LipidMaps Bulk ID
lysoPC 18:0; [M+H]+@2.45		2.45					LPC(18:0)	LipidMaps Bulk ID
lysoPC 18:2; [M+H]+@1.35		1.35					LPC(18:2)	LipidMaps Bulk ID
lysoPC 19:0; [M+H]+@2.99		2.99		24779472			LMGP01050041	LipidMaps
lysoPC 20:2; [M+H]+@1.79		1.79		52924053			LMGP01050132	LipidMaps
lysoPC 20:3; [M+Na]+@1.36		1.36					LPC(20:3)	LipidMaps Bulk ID
lysoPC 22:0; [M+H]+@4.37		4.37		24779479			LMGP01050053	LipidMaps
lysoPC 22:4; [M+H]+@1.91		1.91		52924039			LMGP01050124	LipidMaps
lysoPC 24:1; [M+H]+@4.41		4.41		53480477			LMGP01050144	LipidMaps
plasmenyl-PC 31:0; [M+Na]+@5.41		5.41					PC(P-31:0)	LipidMaps Bulk ID
plasmenyl-PC 36:4; [M+Na]+@6.70		6.7					PC(P-36:4)	LipidMaps Bulk ID
plasmenyl-PC 38:0; [M+Na]+@8.07		8.07					PC(P-38:0)	LipidMaps Bulk ID
plasmenyl-PC 40:0; [M+Na]+@8.61		8.61					PC(P-40:0)	LipidMaps Bulk ID
plasmenyl-PC 40:3; [M+Na]+@8.08		8.08					PC(P-40:3)	LipidMaps Bulk ID
plasmenyl-PC 42:4; [M+Na]+@8.07		8.07					PC(P-42:4)	LipidMaps Bulk ID
plasmenyl-PC 44:4; [M+Na]+@8.63		8.63					plasmenyl-PC 44:4	LipidBLAST
plasmenyl-PC 44:4; [M+Na]+@8.51		8.63					plasmenyl-PC 44:4	LipidBLAST
plasmenyl-PE 40:4; [M+H]+@7.88		7.88					PE(P-40:4)	LipidMaps Bulk ID
plasmenyl-PE 42:6; [M+H]+@7.82		7.82					PE(P-42:6)	LipidMaps Bulk ID
METABOLITES_END
#END