#METABOLOMICS WORKBENCH araskind_20170619_181749 DATATRACK_ID:1048 STUDY_ID:ST000744 ANALYSIS_ID:AN001166 PROJECT_ID:PR000537
VERSION             	1
CREATED_ON             	July 3, 2017, 2:13 pm
#PROJECT
PR:PROJECT_TITLE                 	Callaghan IWMC plasma baseline
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Obesity study with intervention
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Neurology
PR:LABORATORY                    	Feldman Lab
PR:LAST_NAME                     	Feldman
PR:FIRST_NAME                    	Eva
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	efeldman@umich.edu
PR:PHONE                         	734-763-7274
#STUDY
ST:STUDY_TITLE                   	Metabolomics of intensive weight management clinic (IWMC) weight loss
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	Human patients were enrolled in a weight loss clinic and followed. Patients were
ST:STUDY_SUMMARY                 	male and female, normoglycemic,pre-diabetic and diabetic and with and without
ST:STUDY_SUMMARY                 	neuropathy.
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                    	7
ST:TOTAL_SUBJECTS                	3
#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           	SU0016136	S00025582	Gender:male | Glycemic status:Normoglycemic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025583	Gender:female | Glycemic status:Diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016136	S00025584	Gender:male | Glycemic status:Normoglycemic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025585	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025586	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016136	S00025587	Gender:male | Glycemic status:Normoglycemic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025588	Gender:male | Glycemic status:Diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025589	Gender:male | Glycemic status:Diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025590	Gender:male | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025591	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025592	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016136	S00025593	Gender:male | Glycemic status:Normoglycemic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025594	Gender:male | Glycemic status:Diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025595	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025596	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025597	Gender:female | Glycemic status:Diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025598	Gender:male | Glycemic status:Diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025599	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025600	Gender:female | Glycemic status:Diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025601	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025602	Gender:male | Glycemic status:Diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025603	Gender:female | Glycemic status:Diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016137	S00025604	Gender:male | Glycemic status:Diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025605	Gender:male | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025606	Gender:male | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	
SUBJECT_SAMPLE_FACTORS           	SU0016138	S00025607	Gender:male | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A003 - Untargeted Metabolomics.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	S00025582	S00025583	S00025584	S00025585	S00025586	S00025587	S00025588	S00025589	S00025590	S00025591	S00025592	S00025593	S00025594	S00025595	S00025596	S00025597	S00025598	S00025599	S00025600	S00025601	S00025602	S00025603	S00025604	S00025605	S00025606	S00025607
Factors	Gender:male | Glycemic status:Normoglycemic | Neuropathy:Neuropathy	Gender:female | Glycemic status:Diabetic | Neuropathy:no neuropathy	Gender:male | Glycemic status:Normoglycemic | Neuropathy:no neuropathy	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	Gender:male | Glycemic status:Normoglycemic | Neuropathy:Neuropathy	Gender:male | Glycemic status:Diabetic | Neuropathy:Neuropathy	Gender:male | Glycemic status:Diabetic | Neuropathy:no neuropathy	Gender:male | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	Gender:male | Glycemic status:Normoglycemic | Neuropathy:no neuropathy	Gender:male | Glycemic status:Diabetic | Neuropathy:no neuropathy	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	Gender:female | Glycemic status:Diabetic | Neuropathy:Neuropathy	Gender:male | Glycemic status:Diabetic | Neuropathy:Neuropathy	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	Gender:female | Glycemic status:Diabetic | Neuropathy:no neuropathy	Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	Gender:male | Glycemic status:Diabetic | Neuropathy:no neuropathy	Gender:female | Glycemic status:Diabetic | Neuropathy:Neuropathy	Gender:male | Glycemic status:Diabetic | Neuropathy:Neuropathy	Gender:male | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy	Gender:male | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy	Gender:male | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy
CE(16:0); [M+NH4]+@10.92	37683.30585	66555.91498	48927.14127	29886.6283	58761.81992	44143.63138	44528.81486	57300.73304	46612.18468	47940.03418	62436.69971	44906.91134	70950.5795	122007.1798	35732.20939	53426.09886	38010.86145	44753.49574	44992.72116	44902.14008	32617.53442	63581.99345	39936.30489	139780.245	43840.96379	36316.17911
CE(16:1); [M+NH4]+@10.64	22691.00772	32176.67874	18811.04298	39479.83378	24949.84126	61793.0091	10964.99539	35088.74204	15910.19842	59432.74182	53557.12879	31349.21404	35736.87397	140687.2694	38624.81628	74511.68436	35975.56572	67168.6126	18911.36348	23524.09657	52847.34183	50501.98729	20188.50345	21386.49477	25343.37581	20661.69468
CE(17:1); [M+NH4]+@10.81	5934.457405	13028.43971	2758.200323	7809.632588	15990.62223	19762.27522	5663.421721	10947.29625	4061.424309	17970.69236	7344.083542	4581.720903	6514.841998	45062.00423	19284.65494	9740.772557	15606.06592	19531.86217	3971.629148	5088.114601	19266.47338	6549.858958	3598.451062	8864.734665	16674.53517	6371.237064
CE(18:0); [M+NH4]+@11.26	10651.95782	21174.97195	49723.90291	11747.79239	15650.90835	8709.89397	17075.98276	11043.19922	22693.26617	22847.38083	25907.92071	11172.49448	11676.77664	20556.94573	11957.96971	16736.35035	13384.79322	67286.1047	11095.92559	14837.08941	14456.67005	13773.20952	18508.06198	8619.695782	18176.32758	13718.87073
CE(18:1); [M+NH4]+@10.86	412428.93	640707.8501	486262.9907	330900.9349	669614.8644	295300.2524	574280.705	584612.8752	706800.443	577443.9409	687690.0779	345184.1857	503887.8217	1113073.79	332427.5752	432721.076	388364.9945	665110.6008	350959.0086	500142.0207	291366.1881	707918.2596	851713.9668	2957480.03	304757.1017	426204.0021
CE(18:2); [M+NH4]+@10.71	3662347.18	3876690.047	3275233.372	2931757.989	3970211.269	3392243.433	3026653.651	2820807.713	2850860.782	3787920.107	3222928.631	3601602.734	3140156.608	4024493.091	3281235.478	3720432.982	2798831.266	3994406.33	2944969.885	2612363.503	2853682.448	3146299.135	3301096.173	3944133.944	3485640.877	3105224.896
CE(18:3); [M+NH4]+@10.44	186822.7199	215679.3862	254125.564	195060.9117	302003.4621	205526.3536	327989.6628	170103.8382	181674.2054	373430.0912	437029.9139	323962.1641	257728.0968	345362.6689	227544.9353	345519.2564	252873.4644	465483.5624	219103.5904	335203.3814	147083.5372	332081.5165	326709.4577	274128.4233	160472.1607	209752.4367
CE(20:3); [M+NH4]+@10.70	355636.4827	480866.5166	419260.7476	498947.7664	524673.7006	352784.9818	595291.8767	263981.614	522217.9287	631629.6405	538483.3584	389073.3659	407954.6199	591700.2935	398866.5676	483658.4003	407335.3007	647279.568	251616.8475	717566.4078	359085.2022	453697.3395	514084.0531	421748.8932	459495.8479	449395.7937
CE(20:4); [M+NH4]+@10.49	680116.2097	569059.0662	932919.8162	1836868.515	1370646.703	1920566.785	1031978.146	658877.3408	695131.579	1377361.819	1302550.713	1212625.76	919449.0739	2198674.895	1170023.711	1081925.132	1206842.337	1506844.473	632625.8458	737783.1359	1501528.923	741481.504	900051.8105	1157462.565	1562839.941	1005677.382
CE(20:5); [M+NH4]+@10.32	112321.3552	74913.85135	181683.8072	235141.18	309109.4748	2317442.236	52482.98406	77604.50747	19891.01741	281082.2774	248083.9505	270545.1792	188102.8366	1689830.373	487786.0005	263952.6314	132732.0039	469645.8608	72353.88907	36205.71756	346678.935	149943.7167	54418.62349	117006.4891	286508.8428	100991.8386
CE(22:4); [M+NH4]+@10.82	10428.10844	8904.89496	10331.59983	16999.86637	17026.7461	15551.51469	10886.14531	9571.260859	9211.862964	18321.81213	22443.7395	9114.852203	10164.52778	26928.91129	11475.64274	10370.98793	16408.12302	21207.41529	8387.550557	8641.362087	11367.95356	8419.825446	9963.894725	16690.78834	15529.29524	12696.57845
CE(22:5); [M+NH4]+@10.64	23941.46383	26333.3158	31085.93255	34652.63789	30733.7829	66145.94245	38165.16532	11755.52755	23150.80117	36326.54874	27164.69407	28768.81052	34197.19953	59533.84722	40622.23048	31204.00823	39494.56098	47643.1471	18567.77679	38365.877	23185.7351	27656.27524	30650.00325	35302.38834	41099.82704	19484.88807
CE(22:6); [M+NH4]+@10.43	144879.3356	124318.4724	286246.6726	290558.2544	198846.9105	561066.6314	254510.9963	160196.9837	114354.926	188153.9094	130832.7098	251156.5362	283348.1513	441029.1095	316158.4525	247222.8298	215034.1005	165489.6097	145740.0036	205298.9966	236644.1882	152691.0154	205729.6524	219661.0921	354625.6469	188141.4156
DG 30:0; [M+NH4]+@7.35	6012.180931	12883.883	9265.491578	3278.037239	3176.898439	1141.64226	14107.2118	11593.23412	25750.32401	8778.240244	8940.150094	7787.341247	19158.15661	9155.218415	5089.424013	15087.73055	7972.028459	9995.311073	12038.61513	34768.54754	2159.903265	26370.84675	23557.20322	79013.6466	1203.075539	3684.040501
DG 30:1; [M+NH4]+@6.87	3349.06443	6570.778773	7334.468044	2378.6663	1543.537007	220.9519191	8805.07351	1823.785202	12936.44911	6585.702857	4238.070047	4774.262935	10009.12803	3917.183984	486.4701936	6229.879798	4087.052573	5687.801253	6747.221857	8768.723652	1966.387477	16698.01303	13302.26695	33946.63697	938.7641641	1880.545929
DG 32:0; [M+NH4]+@7.88	16843.98292	32347.9949	25990.96586	6606.625085	7426.049841	10448.61516	48613.99261	24279.13849	51750.53463	23142.05321	17911.96617	25763.42584	32962.59277	10944.04915	9096.555967	22414.59515	25104.64413	15925.07576	23704.77329	97892.64551	8683.539065	51368.3288	49663.39464	27458.63709	12722.02471	15219.62497
DG 32:1; [M+NH4]+@7.44	31872.50545	51520.7592	92827.94959	22142.70082	13029.87336	7129.418448	111728.9412	44461.08944	137001.8985	57629.8093	48186.16594	50655.57942	71265.02361	16972.87561	18362.81214	43808.90177	46208.65367	37725.71803	46402.67803	221401.0522	13147.80201	89355.76553	142518.2034	66979.85243	21590.26895	28498.47771
DG 32:2; [M+NH4]+@7.02	15331.37637	25790.06393	73294.55353	14186.19277	17350.89612	3436.75275	80118.45987	39042.49575	98147.82511	54390.0935	33286.49329	42538.06817	29779.78595	13589.23361	7079.715689	13529.3475	19493.17229	24817.80766	28168.11884	98366.59077	3278.488231	30080.84709	118816.6584	71283.52911	4631.898937	23051.67033
DG 33:0; [M+NH4]+@8.06	6517.682805	3459.222895	5829.244083	1537.527243	2071.831396	2421.266632	10823.21048	3636.783661	11373.61221	4919.441511	3118.392858	4089.425885	5082.484603	2935.208845	2652.24366	4210.895608	2954.254285	5305.926362	4602.66109	10163.91745	1334.291857	6355.62922	7113.751	4016.579202	1655.569801	1834.177341
DG 33:1; [M+NH4]+@7.77	5042.773978	3220.870348	4111.570409	3183.447849	3179.051253	3133.230173	7795.159395	1973.125007	15425.39906	5441.401871	4861.346854	2488.641511	7041.950024	2375.613661	2201.875201	4019.512913	3638.601335	3490.694066	7032.43626	18766.94656	1689.069656	3780.205699	14567.02254	6003.170933	769.7279647	2516.143926
DG 34:0; [M+NH4]+@8.38	11681.90516	22827.74284	30911.53743	10627.20378	11552.58253	7785.410545	46967.84419	23963.81714	48984.67475	21204.85887	18286.37798	25505.91248	31045.27094	12495.23021	17067.81424	25489.94811	27885.02416	19890.071	25112.63179	41655.94527	14427.70632	46955.46265	39168.2264	29747.25776	11303.5033	11275.34072
DG 34:2; [M+NH4]+@7.52	174640.6723	265310.7949	429971.3569	125634.511	174822.2695	101334.9894	663502.5563	356007.2346	794808.02	336001.181	271061.4995	429983.1157	345329.9026	85274.07586	163691.3968	200631.6412	233787.9266	176806.0313	228334.635	981603.58	103509.5902	292312.3219	833300.7246	482805.709	138951.4788	310054.1572
DG 34:3; [M+NH4]+@7.13	36412.45247	63969.96269	119926.8118	43155.50317	51758.30506	21162.28657	139807.4904	77055.1061	178800.1335	122873.5375	81928.41817	131924.9541	81701.10385	24500.81889	57734.42387	52090.18418	42290.21023	58599.34948	44712.72011	195355.872	19208.39888	54857.31494	192076.1413	92925.54262	31154.58202	74083.7347
DG 34:4; [M+NH4]+@6.77	7462.647751	10408.03972	10105.33342	30346.25922	18435.71224	9341.14409	12704.07093	9349.706056	5661.48073	19099.14839	23673.66421	13064.88887	11989.04342	34935.51571	14340.43985	17117.42411	8959.459274	26101.06832	9781.58668	8756.501105	17840.49582	6645.067647	9186.483518	9775.151638	11770.83751	10299.80736
DG 35:1; [M+NH4]+@8.17	10277.06564	9081.420288	7720.761522	10258.28771	10938.60201	15953.95755	9598.896974	7939.922045	9392.761315	17544.89506	5757.413333	3518.946159	9236.388922	21099.01392	20511.42388	8012.65845	11209.92124	12892.01356	9516.27682	10124.92127	20626.77977	9594.057514	11594.54032	8408.462589	10465.28405	8486.762878
DG 35:2; [M+NH4]+@7.79	7417.650231	9413.846766	16100.09084	5949.979826	4510.16337	3334.754752	11919.52559	4888.658508	17954.99367	5715.222898	7411.859449	6851.318368	13340.28788	6178.176888	7195.80982	6554.100267	4868.481676	11569.17092	6377.220095	19982.96548	4020.596304	8731.860607	18924.03893	8687.165299	6138.645134	8050.78912
DG 36:0; [M+NH4]+@8.84	15406.65614	9519.2936	11131.6347	11504.42806	8382.131241	11539.96738	15097.4127	8976.599472	15898.5399	12777.63533	8855.125188	19333.71948	11526.12354	10480.4312	6331.524181	13036.12388	11684.45469	14318.55912	12420.39555	16065.20392	11213.63095	13778.5091	17704.20086	9242.369394	8221.193767	11969.04341
DG 36:1; [M+NH4]+@8.44	65156.57003	83654.09174	89551.9835	95796.64827	69863.00775	71245.31436	92358.45824	86069.52041	66407.77966	98017.50856	94825.25563	81168.81854	71787.3898	94944.64871	74303.55542	113688.5681	66862.47073	102941.7882	91762.38923	60432.38691	91442.41706	98191.68724	74115.06784	95372.76113	51491.16181	64953.35083
DG 36:2; [M+NH4]+@8.06	607167.0897	672417.229	1077498.478	557775.8821	391981.1022	225478.6574	1465735.122	713049.7342	1911735.82	552950.5942	655892.4256	556108.3383	568438.3463	311332.1621	423125.8927	359701.1659	425125.5232	470731.0131	663502.3222	1039218.909	258895.7854	511925.8666	1261385.824	920712.7296	384624.1474	1069159.873
DG 36:3; [M+NH4]+@7.63	199099.1785	218455.4039	425980.3126	198266.2556	301145.2592	118902.8282	738884.6504	363806.866	723678.7835	346958.0693	303164.9523	333993.5146	253110.423	134425.5827	219508.0797	161183.4156	182857.7187	176812.1317	241297.9015	514096.9713	136714.4979	158509.3817	461257.7138	543984.522	164680.7192	503663.0477
DG 36:4; [M+NH4]+@7.28	189741.2322	239616.2444	376565.8999	179927.1155	421444.8892	124610.523	570649.5205	322090.4064	529179.7018	348822.52	282970.6596	516161.7582	200534.9834	130446.4032	231706.238	175112.7624	168179.737	192725.488	196430.459	390889.1919	125529.3862	134307.5999	386953.6292	398168.4125	157148.8828	417116.5669
DG 36:5; [M+NH4]+@6.94	17712.65063	20178.11357	49783.11204	50941.50919	52655.64676	18167.66714	89255.0238	36888.04948	100024.247	57765.19265	62850.87434	71369.85111	33689.58543	34397.94447	38553.87569	36375.35585	29162.1943	41760.36091	35916.17291	64939.32327	15723.60689	20359.96075	83888.5105	51268.28771	18212.10904	47517.01771
DG 38:1; [M+NH4]+@8.77	3342.28805	8704.015834	7427.45204	4217.634664	2883.741781	5281.240809	11385.84306	3011.089028	10995.80297	7802.027334	8445.014718	9900.935856	11643.4066	4538.831141	3939.827968	2798.633581	5849.853693	7987.933615	5140.539375	11986.53395	3736.084459	7740.564579	11570.5449	14296.49756	6791.349972	3345.332747
DG 38:2; [M+NH4]+@8.52	10065.34488	17796.40102	18910.33018	8859.98143	9714.968718	5318.867157	34458.19149	16490.8874	31413.21707	11922.77658	17317.26642	8717.12734	8331.38413	8442.026262	9807.664334	10751.54713	9823.46048	11209.33709	8403.058052	26268.66871	5155.3812	11683.92984	24685.36728	15753.47612	10120.81161	10879.8948
DG 38:3; [M+NH4]+@8.14	12751.33868	15143.19608	24491.31141	14198.83623	15952.37122	8655.02568	37643.4213	23164.11101	43260.56936	17615.56665	18359.69189	15129.8016	20844.7649	13286.61192	13176.31504	11543.56558	16186.29371	20943.82809	15723.79715	44678.86126	10206.95822	12041.62152	33236.08313	24778.92293	9520.482271	20151.04735
DG 38:4; [M+NH4]+@7.92	30994.37103	21796.44896	38758.56848	81327.87704	68635.84392	47160.01063	25582.16542	32556.54825	33916.14105	54057.51542	47498.71782	19571.83214	31390.69969	89552.89481	55350.54718	26664.80833	38933.8886	50585.07517	22539.37957	42811.58369	47168.84731	14501.17233	34411.06531	36121.02019	33051.56406	50356.95617
DG 38:5; [M+NH4]+@7.54	32401.08855	33307.12167	92430.29261	88601.09127	40953.23761	27372.59748	246704.7578	53667.64018	169083.5331	89763.10455	68648.8866	56317.96614	97765.21458	53134.76604	36564.84969	56919.46848	82082.52183	47590.99154	72563.14294	225138.041	32759.50472	54555.26283	181620.0923	101263.7024	36806.21242	91314.73171
DG 38:6; [M+NH4]+@7.21	20408.77648	24988.38265	96148.25324	65488.5874	38390.80947	50146.78724	150957.1124	53141.89917	100701.7212	76262.28423	61678.3737	110623.5535	94508.88109	47986.57702	36166.3167	39924.98732	53416.34532	45669.45908	48993.77968	155083.4114	29791.78602	23926.79001	115498.3043	70782.4393	35221.54648	81668.45501
DG 38:7; [M+NH4]+@6.80	3179.52647	1741.43636	41067.50788	9231.782585	7553.806658	6190.504887	32623.9198	12831.57009	9631.553926	10032.58077	4729.476342	24357.38692	17577.95333	10783.88516	4318.491222	6518.892607	3508.845803	6260.946308	6445.811934	29628.36699	2596.015295	3428.084234	15212.89241	12747.25112	3412.709241	9991.099901
DG 40:5; [M+NH4]+@8.00	4926.277741	4281.553544	13951.76245	7332.487701	5267.098182	3913.289881	21735.35479	7677.503289	19209.64055	6754.965584	6553.946811	4746.96618	5300.822123	5239.793624	2778.062194	4093.423709	4984.271142	7367.898194	3850.987839	20646.34181	3229.56996	4858.867839	20545.94227	9591.315518	5269.300149	7690.385526
DG 40:6; [M+NH4]+@7.65	7118.886683	6278.777286	28217.35373	14500.69231	6504.625789	9064.797367	25396.89109	14944.80595	28767.46174	20524.47256	12032.4021	13703.73887	14246.67829	10596.80484	7785.542014	8295.35747	16229.23196	9484.587451	8203.61498	39819.37993	5899.85421	11367.93361	32622.20712	20771.94561	7703.728208	18115.88136
DG 40:7; [M+NH4]+@7.40	11373.16309	7769.573669	69582.97357	17549.01786	15092.4105	19450.89139	88302.28302	23777.67728	41847.41939	16175.65052	24780.17503	39902.07711	55098.55726	29316.84782	19778.91303	18188.46679	22294.15006	12315.81784	14244.71157	89811.49226	9535.034386	20399.68012	76810.53031	42047.00154	12703.53286	29400.05805
DG 42:10; [M+NH4]+@7.05	3775.811984	2833.056588	6303.380532	5451.491972	5611.869305	7085.56056	5519.895466	4333.910815	4518.431812	5718.846551	6605.719438	8368.898606	5210.040066	9307.584341	6889.424318	2965.731628	9094.641738	1585.64284	2327.796517	8002.768348	5910.179822	3351.630979	4403.956039	10899.5039	8061.557803	4508.551711
MG 17:0; [M+Li]+@3.18	55963.1127	57762.99455	66346.88992	48723.53651	56105.67346	63199.61616	80432.38311	43088.76567	65493.76839	61250.07501	63408.616	69692.99918	62192.69392	50594.5535	55845.80397	64648.23087	53930.3804	52661.7098	58173.12813	77963.67251	46579.44228	54958.59838	72096.7246	64614.5525	58103.56922	50163.69465
PC 30:0; [M+Na]+@5.98	39646.12345	43102.65168	35197.68598	55796.1682	91521.71427	129288.5891	23243.35088	23077.27794	15847.19676	72152.66273	75914.90279	31498.20161	72800.90707	173002.3611	63734.6942	125126.9312	82688.20784	109792.5998	65797.94637	37697.52	124149.3166	42969.38181	25439.28804	50836.3343	58364.53618	41817.89612
PC 33:3; [M+H]+@5.50	14206.96021	26453.10262	24609.47122	7905.970768	28729.50953	6206.751464	21189.48291	20779.24814	28209.89444	37180.16356	22192.68586	20774.4922	27764.88665	58452.74539	20225.65094	22995.89928	17021.40858	41089.00261	11362.57759	41406.77325	16234.05259	38747.34156	29312.24247	77449.50524	12487.13151	17349.62484
PC 40:9; [M+H]+@5.41	5143.543326	13777.09222	25749.31133	12181.32612	6440.981345	13076.39108	19135.82196	12259.55731	18262.52114	15086.90816	17987.14073	21488.3615	27506.71169	66477.10496	10444.5516	8343.322444	8038.221853	13931.34095	4073.416503	20594.69472	2721.311634	15589.02415	13633.89674	37500.32718	9309.316307	6855.275948
PC 42:8; [M+H]+@6.39	25262.90284	17660.22843	29711.26814	32282.308	23972.72866	9651.325995	17625.71349	26384.91761	48163.75109	17615.2595	26336.21153	18617.85518	33790.30191	57684.32113	16018.39656	16098.1966	32423.63015	34329.74503	18239.57878	35731.78587	13050.23889	21699.13186	21714.98869	113931.9309	12386.49313	28630.65937
PC 44:4; [M+H]+@8.51	4370.312509	2417.778802	4633.759898	7838.882892	8137.283538	1509.411383	8228.529128	6049.525483	13447.01951	11440.23947	10080.48128	2906.834083	9353.286809	10694.63302	4022.192191	5174.446381	4916.717065	5331.562407	3041.952286	13537.31331	3044.26725	2956.994433	9915.388166	23891.20984	2518.532029	9182.419295
PE 34:2; [M+H]+@6.36	186301.7646	281437.0065	117514.9182	83971.08445	168363.5376	64522.5097	108794.6427	209641.222	303343.4347	226574.7806	156026.4271	131753.3712	183832.3409	88816.92844	119723.0667	226306.2132	93072.05315	215809.4313	267210.8826	692604.6287	63828.5326	374729.0619	279743.3889	189700.6338	130695.9561	107356.1425
PE 37:4; [M+H]+@6.68	6112.033167	16785.9547	11249.44548	13836.27679	9072.045481	6933.491631	10251.41383	4416.775914	28242.71781	11656.49926	13031.48403	6159.953099	10779.88841	10774.52535	8341.956098	16940.86626	9695.013751	13604.68832	15054.99967	38123.53344	3614.354823	10273.0229	22407.94227	7548.432787	7388.550578	8107.093442
SM 29:1; [M]+@3.95	523.9219379	1268.533198	984.0379776	1225.645736	1103.30348	128.626627	1636.499603	593.8025772	420.247781	4331.057443	2408.969323	1132.433696	202.374565	8496.721733	369.2560869	1305.540061	698.7679723	4173.145423	1414.816549	1575.94207	1006.721929	890.3375371	1168.518982	4973.041009	628.7910137	2244.791404
SM 30:0; [M]+@4.64	2812.384909	4494.637014	9585.268159	3016.346644	2796.764239	4360.842935	3434.702065	2195.36576	4983.118456	8079.764714	10096.90104	1321.904238	4759.51405	5584.455896	4757.339817	3699.266833	3890.448014	10096.77679	10110.55719	8900.154899	3402.497484	5243.367867	6764.440832	5226.282588	3754.468979	3420.552512
SM 30:1; [M+Na]+@4.37	3182.112716	9251.527569	10891.69094	4469.463009	8935.736786	2902.668884	11186.80332	8507.138965	12876.87997	18513.1532	14681.79806	9459.221787	5132.319352	11227.37323	6725.80029	6612.975151	6411.611741	14094.32466	7578.800863	11024.97513	4855.389991	7366.460226	12091.3185	11665.22893	4135.309293	8250.828543
SM 31:1; [M]+@4.74	44395.18503	60190.17958	88041.90779	54864.33994	50512.15777	33685.67835	41798.4307	25143.68605	66205.78635	106994.5633	75506.16763	39779.9533	29720.73231	79920.81422	67379.30842	45510.89042	38872.46162	137236.11	64962.08385	80702.31311	36173.0509	44453.07297	61410.48781	47976.32808	33329.11614	47956.55248
SM 32:1; [M]+@5.08	1440701.906	1631869.118	1649700.173	1497045.792	1679243.442	905161.7511	1292224.412	934168.8611	1556504.828	1984691.752	1887152.183	1435558.313	1305817.037	1812708.455	1381857.193	1291137.936	1244406.124	2642033.717	1979066.03	1617187.26	1240307.993	1239859.265	1576856.847	1728029.627	1313776.959	1335415.437
SM 32:2; [M+Na]+@4.45	12319.38831	15368.34949	12960.31314	14581.67528	14668.35815	8961.593573	12863.89923	8413.279289	13590.089	30161.68543	26350.00553	16854.53128	7651.172925	19886.66908	14130.08338	9399.198485	8201.497596	22100.77656	9241.781933	16862.80969	6762.677746	15648.0658	15188.31915	9577.403234	6951.192641	13424.72764
SM 33:1; [M+Na]+@5.51	179604.0135	169620.7658	113377.6575	260539.6317	416174.7275	369300.2775	71718.01004	106312.6624	53715.89623	226003.2212	183172.5217	110097.9741	106362.259	521884.5543	380420.7702	198142.9824	153869.2416	320089.4412	139556.0915	69124.97891	382331.4009	88600.07739	70676.25245	129368.2004	255631.6935	166857.9946
SM 33:2; [M]+@5.01	27947.71406	34965.66468	45928.97386	42037.74257	23969.20768	18793.23525	29442.72343	28606.46525	36781.09651	53161.6715	35099.65276	28937.03883	20867.77576	39139.84502	53946.77603	24149.53827	26786.85277	56105.44321	27097.95598	39715.84322	21813.49972	27853.83888	35849.44055	20952.79653	16836.58766	29005.69068
SM 34:1; [M]+@5.77	8379107.062	10413161.76	10423576.34	7487295.779	11154848.26	8215474.463	14382483.89	9222911.161	10849338.47	11084886.35	12992758.34	10035587.83	10408630.46	10101199.68	8974557.389	9940761.543	8462850.911	10553955.48	8536170.69	15436234.77	7776270.542	9672295.394	14411869.11	12618594.38	8486666.186	10378682.56
SM 34:2; [M]+@5.23	1954129.041	2638032.855	2823820.906	1942188.572	2775360.177	1695667.948	3712094.479	2072228.308	2660874.735	3024768.409	3926110.209	2437012.846	2379447.611	2673206.179	2564569.892	1954190.307	1594766.308	2471601.047	1997096.638	3578716.832	1460403.818	2314977.638	3426879.034	2815349.819	1513854.775	2330047.293
SM 35:1; [M]+@5.76	28953.90194	41503.09571	41429.64834	33182.85987	48917.77376	27159.40695	27691.0967	31983.01072	34824.57123	38443.35469	44194.63751	32546.22101	25183.52075	46459.74587	28883.67485	29750.64759	31349.76113	26144.48638	33216.08664	39033.72323	26205.5765	29840.46552	36939.48999	36573.45049	31880.64542	39619.00623
SM 35:2; [M+Na]+@5.66	17554.65988	26722.32953	13303.96125	13285.62431	62793.67667	53384.46489	14226.95385	11397.45108	5032.78469	21497.07792	19502.49736	9909.615578	7099.561031	51288.35379	44299.13424	13218.21458	8692.541366	26381.34272	12261.70303	7300.463754	34059.29087	8912.695065	5273.992558	14604.06025	16995.55429	20347.45044
SM 36:1; [M+Na]+@6.55	17132.44867	32120.35136	18847.55039	34218.1403	21984.47172	24953.5683	22601.99075	30726.7744	21107.02123	29221.91896	21732.94576	34265.65125	22387.73345	17367.78854	43146.70562	27453.99154	14656.02759	22877.66357	27369.76911	9532.413243	27292.54097	19087.03407	18615.92373	21052.05448	25816.34647	20115.68406
SM 36:2; [M]+@5.96	3519396.533	5121867.553	3824379.229	3243676.426	3463463.019	3746494.847	5663462.915	3990578.02	4273631.11	4226091.956	4221714.454	3341923.932	2436793.971	3883657.889	3707017.783	2860425.879	2116352.043	3650860.518	2404033.633	2912791.289	2781813.142	3330216.843	4932225.464	3529782.636	3023626.873	3986089.053
SM 37:0; [M]+@6.83	42222.01697	49662.51196	31055.4161	43342.09237	42207.87078	43834.26942	34021.5252	26703.41592	52222.68303	42142.98283	25487.54712	25847.67704	30535.39348	33315.42676	53812.31039	20792.59817	41427.04953	52899.23135	31993.71985	20939.02932	35981.84859	31283.82213	37896.45331	44015.07715	52235.95141	32225.57555
SM 37:1; [M]+@6.85	161742.7509	195793.5118	165098.067	140792.962	140778.367	166880.9034	193530.9596	102959.7994	185993.0326	238628.5139	146889.0539	132686.8815	118555.0913	152721.7524	191330.3411	109191.4395	128982.173	257676.8168	136335.4696	154854.9161	184853.803	149550.3166	181887.5013	187491.3137	165674.7759	134853.923
SM 37:2; [M]+@6.36	49127.04201	73644.81686	57480.8461	58208.48692	73793.03092	82638.24046	85879.19362	59300.44216	65162.7889	100027.7877	77085.33596	48142.49225	49734.86957	85268.02285	102561.7923	41786.96401	45398.40981	87344.86228	41850.43812	64279.01624	42493.20029	58832.84142	77470.80352	36081.47195	62900.12952	50845.46886
SM 38:1; [M]+@8.05	6495.655879	16149.1316	7783.077121	1959.321901	35762.01999	13975.36184	6720.334425	10764.51451	3118.518806	13665.35148	14517.94501	8073.462503	10159.79843	28455.51507	16686.87662	11140.14765	9174.146176	24645.28739	11418.95815	10719.83955	18525.36454	6239.125256	6299.418369	9024.433195	19408.22958	15503.85788
SM 39:1; [M+Na]+@7.50	71393.11322	84249.26449	46846.72709	141008.9525	205829.5533	163530.4567	30228.41642	75916.6227	28512.60282	117472.2888	109339.505	74478.6083	62073.36705	315980.588	148884.8125	108085.3677	81950.81591	134192.2134	82826.23277	31512.87727	272265.185	65365.69181	41222.5004	74501.22861	163161.2713	78417.70965
SM 39:2; [M]+@6.98	192032.2308	250746.4619	101809.4072	323579.8732	588927.2956	494170.4698	92844.35461	137899.0301	63403.95592	356932.0479	299538.2223	145835.2539	103617.5934	1058975.082	487743.3152	223302.9544	133798.2889	364216.9724	155661.513	77029.31177	360735.961	132111.6696	74740.22951	126301.0126	234705.5492	177382.6818
SM 40:1; [M+Na]+@7.68	168285.3348	161076.0364	105899.6524	297809.5969	452158.2848	352110.6111	71524.3187	161029.9556	60736.6949	248328.8917	182684.2188	182129.3668	154832.7209	465835.0432	291478.1164	269965.4602	168338.6259	243288.3257	147294.8981	70375.18717	478142.5967	139654.2512	73461.78461	179472.9925	325924.3749	170615.7112
SM 40:2; [M]+@6.75	36411.06158	28847.76792	28528.29092	62258.98752	107327.9203	74768.82296	31427.03337	19786.80468	15792.79557	99009.50063	38673.01749	23475.19992	31193.41991	224561.982	173660.8116	46436.25894	58564.6943	52594.25971	39376.8364	13348.50408	88892.04113	23446.0167	20907.01026	45341.62367	59434.58586	42367.29307
SM 40:4; [M]+@6.31	26801.65202	40429.67881	33738.92977	27902.47706	29193.75956	23607.90422	31868.45525	18323.23031	27773.88718	49741.00766	35136.46603	27890.37314	37791.49872	40920.77549	40745.20593	24943.67394	23141.69038	25417.74316	25897.80966	46647.04297	23041.84727	27586.15346	20480.12269	42345.00999	26192.08012	29674.59874
SM 41:1; [M+Na]+@8.00	171069.3892	253380.8706	235001.8586	210770.1817	213690.6729	174101.4217	232024.1301	180082.0305	262572.3264	288926.673	228770.0065	231699.9454	212405.356	219250.9943	202480.6016	210310.7194	206418.2645	280079.8516	248376.6348	212674.3859	237172.9144	216500.444	246381.8404	199470.2489	219433.9716	192231.4657
SM 41:2; [M]+@7.31	783013.1778	1382485	1289071.638	866353.2103	1140444.506	720156.073	1973785.49	780754.0075	1443515.06	1581087.889	1902098.689	1062208.277	989678.4201	1373954.254	1215687.169	882204.7573	866329.0936	1508900.388	918942.712	2089969.65	875596.6239	1076839.606	1780856.626	1161516.64	777168.0116	1127467.846
SM 41:4; [M]+@6.58	37032.50855	56206.59149	45295.97536	39955.6302	45359.48748	49374.65996	77418.11751	71563.00774	74384.02386	77261.14558	53127.8027	44790.26476	31228.61273	38825.74687	57629.20457	41538.02003	51918.73216	61877.03871	48898.49487	63736.66957	28269.94368	35781.13005	80908.86126	116277.8577	37575.26511	49783.02991
SM 41:5; [M]+@6.65	33784.70291	33596.18635	21123.60882	39484.56633	42674.92797	43646.79316	39657.79878	15329.56698	30451.35047	42023.70707	20648.68176	24836.43718	29619.0576	46352.05274	36157.62808	24335.74728	41314.80945	29303.19512	22502.70747	31498.25131	20764.26885	19389.26654	37248.95929	33729.03141	40842.50416	19895.3912
SM 42:1; [M]+@8.19	1033412.048	1820456.076	1782693.27	1309771.628	2025284.897	1032042.902	2553692.135	1119759.588	2158290.794	1940277.37	2524723.169	1750940.269	2075889.382	1873350.1	1111531.603	2318020.086	1308731.152	1627704.128	1398771.877	2443755.171	1600993.221	1517903.818	2435251.724	2220072.87	1421419.61	1795334.332
SM 42:2; [M]+@7.64	1508239.704	2875113.002	3090096.355	2079680.554	1552163.053	2497937.321	5089764.404	2391991.749	3400116.728	3130134.224	3906673.23	2883609.703	2701638.52	3069206.547	2664894.824	2391408.125	2172571.739	2742675.696	2366123.332	4914003.63	2113290.047	2415870.427	5040757.355	3430391.072	2136132.099	3086332.09
SM 42:4; [M]+@6.86	335196.3044	325174.6327	237216.61	260357.8585	290590.9091	317466.9802	224597.5965	239062.2057	195002.9417	375030.486	351557.0516	297899.843	282947.2497	327106.8875	466463.0543	230857.0063	188456.3797	339445.7086	214520.0002	327638.0947	182887.357	242166.161	299957.3163	237928.121	220536.2807	243028.8248
SM 42:5; [M]+@6.50	29168.24821	58582.04526	39159.01214	32734.63763	62671.48348	65904.13284	44889.96128	61592.33094	30802.05637	71675.32215	46991.72257	52322.03212	74015.60287	45603.77817	52932.83704	64320.2623	39501.86041	44751.85542	58998.80484	87442.83933	40367.24488	33357.18285	40817.43413	49602.35961	44281.83981	38891.78503
SM 43:1; [M+Na]+@8.41	15187.9849	30984.21953	38033.35084	32576.51022	39905.98238	19430.43938	68390.8144	30285.47804	35491.8334	24245.08789	52118.28451	23786.25002	30065.36367	34244.2322	26344.66432	19352.39194	28423.60022	47984.05826	21754.06084	37223.31253	44042.33279	23414.22147	56789.12974	47769.70358	39779.61277	42214.46674
SM 43:2; [M]+@8.17	168811.0727	201633.8764	228420.3581	168007.2601	163787.6187	194646.4515	210187.0655	119635.4908	233746.377	186377.4493	125762.1374	90488.13051	128690.6518	190464.627	251373.6201	81936.91818	144030.6266	226610.6176	168466.2706	183216.6018	177662.6418	113560.2404	234058.7089	143718.4297	165656.805	168419.303
SM 44:1; [M]+@8.73	13309.38552	13544.93483	16858.06266	17541.13188	19006.89513	7623.103778	14738.63338	9920.035689	21263.61078	15680.14977	12472.98044	17420.04529	10428.33178	16097.11361	15039.39905	17279.74969	8229.546632	16419.47399	11368.57591	19072.88065	14771.77936	9478.464554	24755.08872	11696.95541	12664.47667	15900.66414
SM 44:2; [M]+@8.21	24702.72891	28788.8936	36842.62961	22961.77445	32550.13935	32207.69869	47652.79722	23357.5708	39008.415	34327.23169	43590.53856	27729.83463	31794.88352	33291.58464	36093.2753	14758.83067	26962.03757	24857.43416	27544.85682	47714.50257	28005.73191	24532.5901	55166.03262	31964.72204	20880.10477	28536.43978
TG 40:0; [M+NH4]+@9.44	12607.1041	24999.35739	22012.84221	20516.62364	24537.46591	34966.21249	12167.98619	8207.023827	7630.874285	25057.15334	80002.75707	13555.75275	33680.28298	42502.82075	13694.27833	40867.63936	33386.26931	36984.61245	192257.7076	14027.40497	52354.50899	38692.55225	14967.67995	25827.90975	30493.50015	9794.219491
TG 42:0; [M+NH4]+@9.73	14957.6324	59657.58219	35008.31324	33420.72717	29273.89799	30467.90467	29015.72861	12555.47758	18614.42249	60758.88876	128226.3565	34347.57784	81111.37426	80068.89122	26697.12399	116167.3295	76470.03745	153130.0011	260503.2698	51335.63724	38750.39843	131523.0382	38974.62188	52305.31556	53235.41107	14867.56274
TG 42:1; [M+NH4]+@9.47	18537.9433	51320.45205	51683.80757	30649.72889	22220.72826	20190.001	36150.8939	14313.92392	22701.97668	72047.01171	136351.1275	39111.49126	86698.8005	84538.91998	17305.4457	69013.52484	66215.34147	92522.73841	307629.9809	51901.64255	33939.81482	96217.16175	53886.03347	45351.44648	32932.79121	13999.92703
TG 44:1; [M+NH4]+@9.76	71619.62806	264738.0074	153283.9042	138629.2909	104799.5912	47437.40991	100179.2317	80127.0377	110557.2775	331043.4198	421617.0522	123788.2646	296390.0338	298370.5278	64745.86281	356721.0525	260579.6061	416543.1692	659313.7338	249468.4867	127683.8779	410686.3874	191909.9008	157488.7755	114412.3673	54616.77102
TG 44:2; [M+NH4]+@9.49	25616.64679	83945.93046	122701.2839	38480.10263	21856.50317	8207.105049	158916.8105	40192.19091	136776.0447	118660.8684	186887.1591	83274.62678	149397.6532	36272.0029	23373.69305	85710.73136	78713.70235	100852.5297	257946.9757	232132.5071	17944.22281	160189.4245	207234.6163	119726.4129	29028.3293	27372.85153
TG 46:0; [M+NH4]+@10.27	101271.3026	456514.7346	247490.8826	73319.55112	49568.54563	33857.68818	400422.6688	115749.0023	370372.0227	335934.0089	282293.982	270563.4964	587201.2831	65786.26315	50562.71517	480584.07	415975.0602	357066.7045	467042.5982	1113061.939	52705.49124	803353.0292	562165.0751	290436.8213	86437.33859	66443.10869
TG 46:1; [M+NH4]+@10.03	225318.7546	688724.3323	559680.0337	253628.0225	87471.26625	62934.18912	575339.1941	266250.4415	809843.4154	709192.9146	661830.7139	369278.7926	764080.1108	171715.5881	121594.4704	701969.9532	704525.6815	779701.1349	1219427.147	1517255.926	124661.7699	1285284.918	1002132.917	413099.073	128709.9533	164261.7233
TG 46:2; [M+NH4]+@9.79	154649.2447	579932.1813	511631.2225	225135.4935	120643.1983	68135.2619	538799.3407	239008.9063	785228.5201	727084.2727	848599.9656	340297.6692	634396.9254	183662.962	160897.0977	503747.494	404159.6096	491576.303	1068049.667	1429420.668	108830.2882	753457.5584	1013757.184	506306.5293	138233.4544	184665.7164
TG 48:0; [M+NH4]+@10.53	278358.9888	940980.5511	762236.5467	141083.1792	112529.5767	125316.617	1285410.376	572727.1503	1312250.754	829562.0089	476363.5346	758420.8548	1248349.088	105818.8529	129672.7555	799362.0532	574495.5	526908.1447	704598.6918	2376013.865	144099.8856	1139910.35	1494527.313	880424.2401	195812.6573	290776.1329
TG 48:1; [M+NH4]+@10.28	956958.0941	2868516.694	3276879.146	708141.4493	512229.6856	254169.2724	4675184.935	2043166.199	4992379.135	2861637.934	2333714.086	2015724.543	3081846.443	608869.9572	593385.9854	2132537.147	1608238.272	1912104.924	2435440.465	6434823.749	496483.4727	3393910.463	5564286.869	4032941.051	535866.8629	1083167.294
TG 48:2; [M+NH4]+@10.06	1818098.368	3178491.882	1780177.391	2491098.4	2209867.638	1469080.4	1268168.922	1801998.085	1540531.568	4590670.81	4198435.801	2142382.551	2427731.523	4001039.353	2723878.162	3549081.394	2392914.276	3831955.15	3182524.23	2546613.155	2305018.256	2910070.89	2404189.15	2077089.422	1814026.61	1531018.564
TG 48:3; [M+NH4]+@9.84	845843.7824	1382044.799	992476.7556	1624622.164	1730126.918	726644.1424	640528.6195	895738.38	805331.4615	2698195.252	2672662.292	1087593.504	1158852.499	2675747.798	1721834.344	1565936.519	998312.5818	1837154.498	1899957.162	1070621.294	1194516.647	1038770.394	1132898.572	1121000.115	908159.9094	949962.1529
TG 49:0; [M+NH4]+@10.67	25649.61916	83890.21269	64215.65592	16363.37496	13595.28178	16934.56048	51478.79464	25195.91672	91013.74862	34411.49124	36557.4672	29795.00109	84568.80986	40848.0815	17447.03244	61234.4184	60317.79747	99850.59331	65464.47099	143831.1312	11405.41615	128375.6387	86208.92494	181907.7782	19597.20974	15133.32871
TG 49:1; [M+NH4]+@10.46	191998.1013	264717.5246	268731.0327	122123.351	64026.78395	75030.72917	218465.8615	110432.0662	309298.6072	238495.9303	141806.7273	123179.4067	263989.3075	103601.6796	107093.3161	206863.5183	235954.8618	338707.9619	315975.9185	536552.6399	96142.67175	382172.0386	270135.6662	229612.4271	137156.0065	110022.3743
TG 49:2; [M+NH4]+@10.23	179723.0358	337159.1625	315582.1555	133536.466	114161.8524	88649.83025	221718.3358	151647.6295	394861.9196	372334.899	219110.6107	127415.6274	248373.1572	148263.9172	155008.1113	200948.9791	252257.5963	379638.1151	282179.7615	491560.494	123882.0552	354394.5008	384788.9813	194212.1967	169316.3198	138521.1117
TG 50:0; [M+NH4]+@10.75	348025.2184	1072861.725	1130339.962	267316.6163	220934.9473	242211.5238	2200682.209	968499.8554	2206166.403	1122512.323	632770.1108	965772.4171	1397068.434	151277.3039	324215.4888	874829.933	389934.2728	790893.7278	960326.1693	2478166.424	225326.3544	1603869.732	1801957.608	1109479.433	325816.3501	496153.8589
TG 50:1; [M+NH4]+@10.52	4603833.175	6601287.629	3274267.804	4056788.197	5210377.312	8283792.454	3444168.219	4677055.086	2371771.493	6229325.205	5412328.544	4557878.593	5844289.147	7453341.999	5706277.018	8833210.007	6504758.13	6963821.958	6012537.532	4745508.801	6587370.298	6907688.25	3685029.232	4922390.5	5764749.924	3739777.716
TG 50:2; [M+NH4]+@10.30	4709298.203	7517397.464	7071114.574	3904596.003	3636797.561	2211755.166	9073921.14	5772619.987	9649124.008	7908455.491	8000428.948	6033569.075	8151604.12	3052151.06	4423022.079	6322129.642	5687821.712	5656139.741	6292743.197	14654025.3	2942470.02	8487793.488	12472137.3	8443257.264	3775058.756	4941261.13
TG 50:3; [M+NH4]+@10.10	4240088.93	5457680.835	5637730.072	3796521.273	3367088.567	1670203.183	4460802	4300824.777	8198293.195	6912849.752	5307616.733	5185479.435	5163490.97	3005854.16	3837913.341	3764207.819	3677835.724	4496392.531	5035769.324	8081600.613	2095502.417	4548430.298	7616477.847	5955447.794	3047583.355	4137979.924
TG 50:4; [M+NH4]+@9.89	1122725.056	1680320.692	2360577.883	1395362.023	1823708.864	486161.7883	3205580.219	1781425.674	3377250.532	3118020.234	3091845.915	2228548.34	1925489.774	1098730.476	1591519.325	1427324.981	1298851.415	1491938.95	1766365.729	3670621.949	714269.92	1310136.265	3777815.567	2523334.807	815671.0601	1707766.914
TG 50:5; [M+NH4]+@9.70	215918.9893	307557.2817	536365.8082	503090.3208	387613.6254	136763.5011	629973.9551	329084.5686	653501.4478	692043.6334	582042.5406	645758.201	483070.9928	352085.1085	354507.8383	300037.6407	279212.4747	391125.7941	479388.6729	649650.7518	127512.0083	261449.785	684846.7321	503836.3073	166877.5939	383673.8588
TG 51:1; [M+NH4]+@10.69	168338.3664	248228.2124	537371.8143	85880.30156	88733.62868	85447.62356	700508.5887	361177.3561	1134891.656	372628.5224	162887.6573	134041.7834	366751.0246	119384.7671	144141.9944	174464.9432	258164.8452	305834.8171	276860.526	688405.932	93628.96805	415788.999	612371.5032	543059.4761	125473.7101	223128.8757
TG 51:2; [M+NH4]+@10.50	609198.5638	818843.9419	1041767.614	550591.88	373986.5785	358485.4982	788133.9482	670235.3164	1307635.961	786270.0593	660199.3123	456992.2763	723031.9101	441320.0235	541154.8564	570984.4018	742925.4153	858499.9718	831672.7549	1199825.995	340470.4943	864116.7981	1208133.954	717495.8452	561947.7227	581141.9679
TG 51:3; [M+NH4]+@10.29	652314.0981	582920.2484	756298.7998	412717.925	545917.7231	329963.5695	548167.743	549311.8201	1034102.172	687687.249	535928.9452	446012.8572	510888.4866	432129.7253	517322.6874	394711.3223	452345.9687	674025.1396	563648.3147	734240.7913	393510.5858	427485.9	666132.982	678701.921	540546.533	672846.0811
TG 52:0; [M+NH4]+@11.02	155300.9353	482573.1951	604083.0125	201973.6538	136357.0294	102291.7041	1053207.859	407522.6409	1535545.44	565761.9546	371612.4528	472878.8123	612583.8301	116689.4364	172969.9994	435054.1493	351390.3906	384775.2931	428722.9189	845665.8405	127945.3199	732196.99	883707.4674	829403.4379	123380.1459	287858.7517
TG 52:1; [M+NH4]+@10.76	2296511.642	3867675.448	4190110.346	2138678.539	1666636.675	1658820.032	4376004.746	2976629.284	5862454.081	3497384.319	3143884.115	2916596.065	3424485.723	1642784.697	1932327.083	3404755.661	3005695.741	3305589.388	3491516.781	4800110.924	1544384.474	4944582.4	5167810.674	4172976.168	1822091.754	2615191.797
TG 52:2; [M+NH4]+@10.55	11153986.78	12114059.79	14576723.28	11292031.48	8700877.795	8160445.364	11232311.11	13946444.22	17202571.13	10804709.09	12648057.91	11445695.79	12152904.75	8441720.712	9723712.445	11250431.61	11698283.12	11057927.07	13763339.94	14950950.57	8833176.752	12422900.29	16476113.77	13736167.25	10519477.95	13584480.92
TG 52:3; [M+NH4]+@10.37	12817124.78	14803531.98	16905880.26	10142026.6	15871691.72	9925453.513	23527793.92	14051691.69	20277904.38	14969999.52	19104140.59	16578289.96	15287656.32	10308394.04	12355035.49	13970773.49	11207305.33	10861111.21	13383704.32	22652053.17	8983507.266	12522330.7	22402484.1	21911037.74	12354283.94	17869332.38
TG 52:4; [M+NH4]+@10.18	7391104.882	10433272.33	11327404.86	6491130.71	12606673.7	6544839.23	18255510.12	10127018.99	15859180.29	12183624.82	14183066.3	14262921.97	11002275.37	6604157.469	9761268.249	8842085.318	7178603.087	7340814.686	8961777.586	16914927.92	6312421.963	6847118.677	15527411.54	15050770.32	7848923.686	12705064.12
TG 52:5; [M+NH4]+@10.00	1858300.15	2387990.115	3678342.704	2468515.222	4027321.734	1535534.327	6773279.173	3185390.518	5192264.591	4469585.613	4692723.039	4616970.926	3202882.14	2244824.08	3273463.554	2212435.354	2155394.138	2428093.733	2563688.434	5160697.311	1572397.198	1824957.946	5507630.938	4750733.444	1767271.41	3671562.881
TG 52:6; [M+NH4]+@9.77	495669.4043	462708.4702	800499.0811	1597193.062	2689401.685	1230066.971	771649.8887	801984.4677	444584.8554	1664782.569	1605403.393	1306290.492	789333.4479	3008517.156	1916962.036	860511.6198	598151.0903	939128.8359	660962.5246	503085.8393	1009143.703	326579.6316	657889.5276	830927.9438	733685.1556	966835.0198
TG 52:7; [M+NH4]+@9.59	39088.6829	48336.33728	210615.6774	156433.6304	107084.485	74123.80358	195699.4824	80277.91724	141092.7288	172132.9556	146817.4867	205388.1925	184739.7735	160299.6341	105008.662	72230.9347	87075.36018	104411.1945	111958.1251	155064.548	38602.99807	68717.92921	170171.8883	114178.2088	44725.55667	95892.85551
TG 53:0; [M+NH4]+@11.13	48894.78731	53707.9408	105488.8682	47485.78849	36122.81804	36764.52584	183114.9084	69193.25416	235692.3455	65977.14524	74090.73351	51512.41213	51542.27279	27157.92584	42618.09485	43562.78132	50457.63962	80016.26812	50813.40677	103168.8148	51088.31103	42994.89967	105690.949	44238.85374	46194.33927	69224.49775
TG 53:1; [M+NH4]+@10.91	60112.68978	134141.3686	142235.949	66631.71484	118389.522	58397.84159	172412.4859	88275.26144	278073.9035	136609.5398	94721.6945	72415.46564	92974.20367	99806.06192	95176.15947	76467.87271	114240.845	149527.0414	101894.8837	160660.2932	56877.73123	107371.21	158822.6426	139004.1116	69758.88734	102732.1195
TG 53:2; [M+NH4]+@10.73	382577.9347	437532.7187	636949.745	271084.9064	308591.6138	134144.9272	735236.1723	514107.7627	1296961.034	447455.1684	408666.2893	232010.0812	432010.9001	625647.1096	208741.2266	251583.4065	345530.5387	547887.0492	388305.8176	524567.499	217447.9328	558575.0183	678948.8425	2183541.803	225551.1794	437270.6692
TG 53:3; [M+NH4]+@10.52	443508.0215	566737.0167	691176.5958	518343.8439	520952.3722	296145.8551	627543.7502	480891.6774	1095994.623	555817.2947	524603.3325	290724.6277	309586.0165	439867.0666	585813.0982	270489.0494	406910.6063	528503.3452	556239.9434	470615.8928	346970.8701	348630.0159	685857.6392	436431.2827	344171.4285	622515.8935
TG 53:4; [M+NH4]+@10.34	309232.0781	300486.89	341244.4171	272003.6094	420952.3443	178805.408	397857.836	296730.1932	596189.1571	394854.7259	359875.1298	320154.178	217927.6187	236341.8628	370101.1467	209721.0762	152019.3447	260693.9126	189995.701	306882.2843	176509.6946	151897.3211	423555.0773	338941.4522	241780.1129	387321.2022
TG 53:5; [M+NH4]+@10.14	104459.9055	107950.2458	137881.3549	126727.2047	245566.3772	103569.0074	200686.0657	107641.4646	228663.7955	177367.2055	137836.0238	112290.197	114274.5588	154942.5623	241787.8624	85397.1273	102181.2411	122646.6262	132165.2609	119992.9538	94349.56331	59926.48172	125776.7968	123987.0721	121361.1427	223912.9462
TG 54:0; [M+NH4]+@11.25	37369.40191	80150.44834	112397.0822	38545.69684	32834.29666	21182.95626	231658.9266	82429.70358	307017.8282	85294.52631	65027.17367	72740.19207	124845.3898	41001.59349	41787.7582	91980.0711	66727.24767	72778.29673	99025.64019	178397.5465	28271.51867	148011.1298	113944.1935	156624.6922	234.6336161	50463.30319
TG 54:1; [M+NH4]+@11.04	518619.3962	834969.8227	489439.7534	907123.4778	847681.133	743706.3822	596862.4152	571304.11	501386.6772	790536.5904	874688.0271	566329.6879	715790.1809	1451255.902	586581.6343	1093060.081	729142.9157	877959.1177	493087.3782	379124.1813	1298517.299	865604.0842	438669.3038	812196.8595	564916.2896	609802.5783
TG 54:2; [M+NH4]+@10.82	1525026.176	2669006.671	3450337.394	1615885.966	1389761.834	606626.7913	6908965.824	3472921.195	8152404.072	2401673.457	2831345.316	2169520.633	2373691.39	1436272.437	1332877.609	1721413.166	1385914.672	1580707.226	2646514.067	3527032.294	1290130.144	2212838.002	4105284.619	5249812.122	879009.1182	3019772.791
TG 54:3; [M+NH4]+@10.62	3223600.728	3845589.822	3249858.13	3893197.12	3312981.111	1629659.695	4982129.783	3423849.511	5530176.013	3257166.829	3935886.707	2485004.104	2675299.641	2891975.081	3077235.388	2418347.224	2858943.453	2710912.746	4353263.788	2793143.465	3092142.981	2520136.23	3588774.418	3371080.031	2567620.182	4015298.339
TG 54:4; [M+NH4]+@10.41	3819137.151	4441810.571	4434650.828	3566125.061	5868693.158	2000902.985	9127159.9	3819469.066	6562000.334	4877207.05	6833483.556	4838371.156	3954245.012	3519118.402	3564360.979	3459984.674	3178483.681	2954029.93	4313300.489	4865164.662	3416502.473	2867188.75	5603564.439	6480039.769	2988916.513	6134581.094
TG 54:5; [M+NH4]+@10.20	2830008.768	3293473.24	3756313.093	3119474.497	5692021.668	1964884.192	8478112.44	3290183.296	5654743.019	4324542.918	5731136.731	4903173.23	3573872.073	3221831.524	3322069.858	2924079.781	2655615.438	2647237.55	3378639.101	4629212.133	2899134.876	2145516.178	4639811.924	5601927.282	2615709.155	5571642.833
TG 54:6; [M+NH4]+@10.06	1251961.243	1573881.502	2668183.072	1874118.224	3455651.662	1652504.366	5555217.078	1927943.812	3164804.769	2913417.709	3250160.032	3730226.568	2574507.974	1944052.332	2187884.461	1767308.685	1658255.194	1649461.332	1825083.335	3454588.915	1462817.101	1265382.168	3229322.419	3513365.676	1387256.048	3178052.364
TG 54:7; [M+NH4]+@9.89	370649.457	450681.4214	1417522.844	808391.0856	1454441.945	871895.7044	1957449.751	893480.3949	1217608.959	1227738.652	1294417.783	1659907.88	982858.1766	1069798.251	963615.4387	592033.4309	551499.1717	692763.8041	598832.8576	1098241.154	448392.6359	466952.1526	1280392.109	1265199.66	477001.6552	1027094.214
TG 54:8; [M+NH4]+@9.68	41728.48785	63010.31843	354340.09	212434.4029	210663.6042	151653.4668	688019.3804	151723.3103	214601.5344	289039.1614	287543.7436	393441.7549	279507.7818	274024.8511	185949.2097	123529.2363	107863.9551	142950.0995	125777.2383	328421.4569	70288.3025	92210.42409	340442.3189	246173.3755	78480.87887	170338.2334
TG 55:3; [M+NH4]+@10.75	39125.5574	61830.34817	65808.20786	43743.87781	32697.38256	33981.00508	133700.4422	53956.27879	125814.2492	60945.18465	81959.49416	74978.71088	62285.82289	50778.22634	41340.52773	40629.0434	31068.06497	54941.23152	56950.23008	90183.25623	48449.33697	54633.42897	100633.0449	86547.29134	50813.01621	61768.80476
TG 56:2; [M+NH4]+@11.07	79018.32786	176185.6528	157062.0257	104722.7727	99885.47909	69312.76404	590768.7755	169163.5285	360750.5202	139017.08	158489.5263	77269.21194	252761.1833	317255.4483	68020.75591	282900.7663	149124.3366	106319.5845	130189.0857	188195.0881	75955.02913	184322.3942	337555.7407	914907.1503	47410.77399	111577.7092
TG 56:3; [M+NH4]+@10.87	177982.7842	273550.5998	221364.3	175538.3185	281101.6872	82147.36201	580014.4615	214589.6681	432275.2238	206424.5147	347134.3764	141030.1183	200225.1011	241810.0227	195858.0195	195845.7935	149831.0463	197158.65	240399.0595	231120.2879	168045.1128	184972.8108	311137.0848	292988.9987	174266.6544	261257.2427
TG 56:4; [M+NH4]+@10.70	167400.2666	274160.9159	414066.1162	316361.1765	262689.2098	116341.8132	958239.7067	437457.4172	982735.3724	428508.3312	375560.2965	270406.8081	357537.0021	289631.9936	195362.3868	211017.0171	242753.7516	275859.6524	300393.757	606432.7879	196033.2612	253620.4897	694076.514	746396.7389	150597.3523	447342.8408
TG 56:5; [M+NH4]+@10.53	424996.577	530073.7858	758951.2175	769442.3559	675634.7836	524005.1684	1251221.653	511289.5963	1120556.391	869762.4718	999382.837	627619.4781	796672.348	789821.0541	546397.0218	578352.5257	854723.6594	755466.6732	681959.5751	1170379.792	697189.7007	632097.1293	1206857.164	963036.092	489567.5797	841666.6402
TG 56:6; [M+NH4]+@10.34	541614.0383	618390.037	1278000.297	1084752.405	992803.9563	968140.4838	1824370.795	764085.046	1408889.955	1118073.791	1354028.122	1035432.342	1258510.277	1252643.877	820711.3162	870509.7243	1067931.784	961084.4209	872463.4561	1540230.714	917031.0162	876607.4442	1601663.812	1507158.675	711122.3421	1129149.043
TG 56:7; [M+NH4]+@10.19	437478.1135	563558.9732	2164229.407	1087370.486	996777.8423	1552382.945	2215265.376	950103.2092	1441934.889	1142600.865	1387660.72	1516505.019	2006764.593	1595216.15	906759.2862	1017552.366	1091881.874	899988.9687	917517.2319	2060965.18	988452.385	847048.084	1812853.704	1652577.005	733385.5613	1228187.267
TG 56:8; [M+NH4]+@10.01	229599.3455	299681.5554	1413773.642	698301.7742	733632.8059	1229660.369	1461163.334	756075.614	928028.965	800389.1203	782108.1399	1414289.822	1238106.223	1141243.32	678040.2502	635865.8573	621375.3432	509751.2411	499250.2868	1384150.131	569873.9903	366300.244	1135275.62	1054542.181	433636.4039	745123.4678
TG 56:9; [M+NH4]+@9.81	69574.83096	73697.34413	332380.3587	599164.3752	674812.2469	1335505.251	205585.7704	237871.67	92181.66837	390264.587	301168.1732	496580.5177	358243.4061	2189185.919	620493.2628	284867.4584	185352.9751	266363.4721	153445.463	156668.6834	500075.4701	94698.02532	170067.7722	245495.6075	263156.2186	272782.468
TG 57:9; [M+NH4]+@9.96	1560.744927	1096.328396	22995.49023	5029.129932	4530.348462	13436.40708	13976.16841	5084.581795	10006.28232	9737.325033	9320.056705	12971.27063	13660.56958	7278.590239	7878.765854	4816.179724	6081.41287	8417.218055	5734.505368	14645.48963	5378.44724	2704.867527	10722.42172	4744.971541	2220.452015	5219.545526
TG 58:1; [M+NH4]+@11.51	11646.32665	10173.79543	15148.97144	18722.89217	15475.98563	5244.965688	36898.34274	11752.5082	22574.2648	12900.55069	16387.84237	26474.37692	44566.27449	18430.3082	4265.815351	37078.63475	7417.019516	7590.476006	18628.83638	23297.33207	3930.274832	12144.1743	18554.35709	29646.75464	6811.560923	5137.96838
TG 58:10; [M+NH4]+@9.90	26527.1586	41374.7855	243630.6048	181047.7971	111664.3132	312093.4864	237260.2498	116433.7445	145213.7189	158245.9789	118862.6087	282684.3452	309089.0616	346593.8208	131381.0701	142943.6596	148461.2218	85278.12801	92917.9587	341978.6136	130692.2515	61791.87866	191946.0744	167478.6863	81064.4943	122583.9861
TG 58:11; [M+NH4]+@9.75	8445.00242	10440.66864	167046.4686	63639.71002	31669.29453	153180.8354	76628.18535	39034.06109	32380.36136	66566.39767	50053.36544	129000.1996	139478.0574	169869.7838	52768.89109	43486.8028	32641.6472	33067.75479	24579.46811	92430.9969	33478.54341	26787.34555	64485.65227	44308.9056	26083.25419	39835.4889
TG 58:12; [M+NH4]+@9.57	214.9725429	734.8450536	49205.1262	7019.75654	6015.742268	35721.52577	12434.28894	9087.175594	4734.489971	10835.08621	6896.540185	19340.84423	17946.39972	43885.33806	13603.44126	4685.325594	5379.345727	6141.426387	4281.582762	8182.407545	3990.601694	3224.874695	11106.4095	6100.398839	6339.081684	4449.501324
TG 58:2; [M+NH4]+@11.29	13672.93308	36914.7357	49909.41095	33218.5318	28475.3828	388.5732007	465842.4379	44987.86576	154116.2483	65685.94477	45847.35801	31129.30293	146399.2109	46226.23857	13468.93549	104983.9287	20032.7801	12646.36832	31494.70948	52176.41713	13650.59019	29441.4228	122486.9793	85046.04746	4994.637466	37056.01219
TG 58:3; [M+NH4]+@11.10	33892.52994	42877.97944	31299.14788	84119.63172	116909.18	36820.60911	219688.7861	48262.82442	29043.84681	68027.5116	84679.98479	31214.5057	86785.20379	299501.2973	54856.9876	167866.4961	35591.70192	45843.46669	32950.27446	24593.62905	95849.96212	25560.95767	39052.17608	53974.79907	41090.83042	47467.26654
TG 58:4; [M+NH4]+@10.89	18506.90967	23373.15412	30909.01491	41661.46246	25499.56449	15237.16801	161311.5201	29416.16817	57352.59021	44881.6156	31544.74146	25105.26976	37769.7094	39767.72169	27390.88388	39169.3274	26657.82222	24244.85192	26938.16564	42479.68805	23819.08529	23319.8285	42016.38711	59619.33614	17324.03526	33034.09854
TG 58:5; [M+NH4]+@10.77	30888.9404	39218.2906	67612.8103	72846.95685	47949.26373	29302.02019	193082.2536	39484.0114	106321.7311	65297.46192	80042.35764	44106.58526	77847.6104	72672.8778	37938.31469	60154.71961	78800.08816	59454.55595	47910.2567	152835.25	39952.1235	51560.65873	103073.6213	101283.2776	38026.33215	59291.95043
TG 58:6; [M+NH4]+@10.57	44428.2206	74371.18335	184960.96	101258.622	63473.69605	52503.27885	243946.333	120947.384	240546.4428	118532.8449	117855.7105	109994.212	128203.9218	145215.3611	64719.92808	79179.86022	87776.01039	79365.00086	92603.89383	205773.1069	84121.9855	83500.24129	215143.8101	202238.4642	46779.61711	114785.4514
TG 58:7; [M+NH4]+@10.48	105852.9268	119445.2642	204178.28	474254.3444	428838.2094	702742.05	136458.1218	139233.3885	81660.87675	269536.8717	319785.4787	207003.5574	266432.5052	1508315.737	376795.2384	290794.2378	241448.1409	293023.3768	145606.3501	127072.6246	566509.355	115226.6136	136364.3082	227729.6163	276348.0775	227600.1509
TG 58:8; [M+NH4]+@10.24	69960.53838	93068.70419	367657.4896	279515.7741	207908.897	297286.4301	384801.6476	185095.5917	247643.9536	218508.1328	209140.8485	315658.7984	380395.6246	454143.8672	178188.7389	198118.2238	228958.5328	166129.9716	153982.9244	390544.5983	188805.0695	145463.6144	321932.3727	326470.3777	139216.8554	221404.9159
TG 58:9; [M+NH4]+@10.11	70902.3712	82265.94416	324588.223	314774.9587	195448.1414	423404.0191	288850.3186	178483.5607	206170.3927	242346.0635	165241.4351	333524.9737	303849.2254	474458.1512	199107.4617	163716.698	198255.0802	171844.5254	139651.6679	315808.0959	175421.2996	118462.8218	207177.2866	190745.7038	153453.799	183404.8169
TG 60:11; [M+NH4]+@10.08	6257.049069	7782.499671	82938.75342	71533.88655	20817.92307	125692.2701	45100.09135	33603.06239	26780.51936	35710.69958	19367.49176	61784.30632	107051.2439	129609.8602	26389.31075	38226.45133	49957.31169	28097.57096	31397.10862	86529.84227	38351.37372	25918.17909	61465.4243	33182.99259	30379.04638	29767.92893
TG 60:12; [M+NH4]+@9.87	3978.025608	6243.416441	86868.36414	39544.54559	23541.12369	129581.966	44353.8411	25900.15351	23065.36017	27998.40469	10887.61555	51164.81304	76937.66936	139769.8094	36818.85195	23707.56978	26746.14031	14675.22651	15357.81489	51861.77386	28794.80796	10684.25445	34715.78843	26003.5728	21320.15294	24064.71653
TG 60:13; [M+NH4]+@9.66	131.6247527	609.0766016	33634.26236	12434.4551	4227.633803	48314.85215	9844.36628	12759.12619	2058.349786	7830.738653	3274.753231	24593.98395	19088.39789	37653.50384	9270.666737	6097.110158	6276.886474	4685.501074	2852.876133	10350.58014	4295.538647	2348.075644	6393.581086	4065.213756	2386.750277	4843.766574
lysoPC 14:0; [M+H]+@1.06	32402.73915	34077.95205	71932.09989	34081.49946	41562.77577	10416.63306	62753.54048	40758.33743	151115.2609	72306.47005	72909.0971	84410.60351	33445.87955	48178.48111	22826.4386	37979.25562	28506.58341	46343.96426	37278.87208	52540.80371	20718.63594	55913.97281	98856.6646	93418.56028	23881.98147	51599.20227
lysoPC 15:0; [M+H]+@1.26	44251.31498	32780.15093	49704.69081	33015.01745	48257.22982	23268.47181	32888.44318	22583.62747	88498.61443	46210.3576	55068.58121	43968.94939	15975.39425	44071.75776	28810.12052	26618.94819	29161.12076	48855.67036	24683.27623	32399.26653	37296.79235	34464.6742	58740.27061	46688.24209	38178.99205	49754.48097
lysoPC 16:0; [M+H]+@1.57	7720422.283	4949877.33	6540458.468	6172960.037	5817182.321	3185168.182	7108152.368	4508527.957	13733740.48	6702491.192	8255920.473	8899146.066	3836487.029	6440612.602	5131084.015	3550316.51	4822826.211	5223113.208	3270855.981	2980868.635	5439202.788	6002612.013	9576566.982	7282158.411	6376370.344	6228191.955
lysoPC 16:1; [M+H]+@1.29	180279.2472	124411.0233	165053.1833	185272.8868	140621.0966	56934.50866	108718.4226	125165.7555	389464.7594	213232.2299	222492.2209	175260.5965	94045.66424	158429.1218	149900.8743	70990.50894	114945.4787	124786.7286	87152.30583	74059.01267	121876.9809	149516.1287	263936.0812	135453.2055	121979.7923	130644.4279
lysoPC 17:1; [M+H]+@1.49	31754.52037	12124.65475	24095.32073	23168.17352	18967.07806	9827.703439	18485.59519	13449.05179	45299.74849	20410.69509	27988.12998	25474.53677	10209.96898	19713.12892	20884.71946	12828.78636	23965.28744	19169.61172	9615.909068	11658.82833	19510.34731	24103.3738	23602.44606	19931.55285	18211.26241	18794.9658
lysoPC 18:0; [M+H]+@2.38	3448680.209	1924433.819	3272278.41	4097220.01	3286981.934	1627469.349	3427592.988	2310678.571	6333761.874	2996132.11	4436170.063	5429507.463	2136986.667	4061100.572	2718360.739	1922993.908	2125196.536	2328071.158	1791648.502	1417755.846	2013068.795	2816103.812	3958697.223	3592897.13	2799117.899	3095511.293
lysoPC 18:1; [M+H]+@1.74	2059512.555	1082995.684	1550239.647	1705761.013	1473807.985	662923.3918	1650553.652	1030924.518	2989511.818	1492900.626	2152831.446	1551371.832	829203.0991	2189120.876	1623604.405	650848.7358	1113120.022	1056255	932948.5496	581378.6189	1475807.12	1266617.643	1967694.31	1614349.958	1659364.269	1589448.245
lysoPC 18:2; [M+H]+@1.33	2473946.36	1945459.245	2037903.152	1326098.854	2832265.662	1122610.936	2407128.753	1475327.228	3318055.11	2424030.578	2762890.787	2680921.937	1243145.844	2861493.324	2183265.477	1278116.696	1275530.356	1552325.638	1595152.557	905227.7555	2350220.217	2292125.968	3175979.122	3562510.339	3145428.632	2405079.598
lysoPC 18:3; [M+H]+@1.09	24521.20911	16716.81634	31019.5482	32542.91222	25610.06143	21919.36451	49385.01644	23424.78933	42770.8174	35879.74156	45107.86007	57566.77096	24253.25933	39399.785	36156.09068	22937.45857	28507.67744	31713.72066	30778.9732	23438.33854	26886.40374	35049.23871	49571.39525	41932.92807	30175.57383	31973.37831
lysoPC 19:0; [M+H]+@2.86	28376.21848	22226.50376	26095.6907	31053.22106	26070.39363	20374.60391	27527.9694	16690.5821	47442.90132	22782.20889	38753.81952	26081.4869	21654.59555	30378.95589	26522.38174	24773.04909	18793.92557	24839.5087	20126.63326	21648.8853	22895.3546	25353.71638	37764.53234	26145.49169	30103.44537	23359.39088
lysoPC 20:0; [M+H]+@3.31	23218.37034	14036.20358	16548.13541	23763.90542	31827.90322	7863.896797	21365.8205	8680.676944	44963.90872	21733.07527	36786.0557	24414.47266	13509.49892	22481.00303	14386.34994	17129.25863	10790.27924	14233.81929	10475.86509	8440.6418	11995.0502	12499.36428	19041.96288	18990.35632	14108.03504	18155.99025
lysoPC 20:1; [M+H]+@2.52	34084.66179	20894.42048	21760.99871	31338.05073	24557.47673	11138.60377	32956.08169	14073.39533	66849.92195	25454.05517	41022.75693	40722.16967	14331.49733	33817.79065	18655.08109	13438.94872	21000.45311	16336.4552	13236.94464	19063.01516	18460.63807	17601.63664	38676.43934	31142.34564	22816.04331	38277.57543
lysoPC 20:3; [M+Na]+@1.45	114021.1932	57228.02485	244038.677	151681.8432	146354.2273	102330.3632	303947.1872	144166.6286	295282.5857	108425.5744	130204.8393	291196.8326	172876.9255	452022.6944	149175.0121	121497.7305	108218.1026	87962.8712	91877.24616	82176.5908	146583.6055	187280.971	260512.727	1018424.307	182515.5953	170028.089
lysoPC 20:4; [M+Na]+@1.42	53806.90549	32252.3518	69277.51813	86809.24528	75939.78496	40800.4341	156920.4026	35865.34131	155844.6006	90425.9002	97310.17657	114963.3958	62961.99102	116423.1692	59920.52484	43055.3111	65781.89076	55802.33555	37282.39232	41759.21964	102726.5278	58450.37809	129068.5744	126743.6701	112411.749	87866.06248
lysoPC 20:5; [M+H]+@1.05	271193.4224	174485.6571	184890.5644	186908.9593	311007.0058	121713.4484	372694.7742	133163.1165	358490.4673	342935.9446	251367.3105	334928.9389	155276.8953	306544.1593	268955.8767	123385.9445	137580.285	169273.6934	120532.7705	71620.47789	242884.5696	241891.4757	329453.2359	357228.8868	289168.7791	279445.6202
lysoPC 22:4; [M+H]+@1.83	16436.48367	15606.9171	17402.16502	15914.70359	9873.446136	7302.815491	19899.60486	12954.93197	48832.25802	23500.21103	20794.43851	22160.76637	11976.66958	13610.14439	8857.58317	9730.949375	16201.86197	15196.70814	9206.307325	14863.43859	19300.28096	19582.39446	27943.40279	21672.33863	20201.47494	17001.82896
lysoPC 22:5; [M+H]+@1.46	41121.64759	39588.43076	59077.74213	37182.69302	33239.15445	29203.75864	110205.0494	29861.05056	97211.44688	70183.79218	62312.80974	71581.41175	55571.07956	55108.97224	62693.22508	38084.6175	65950.54331	42542.23128	31056.44851	41034.53086	61567.53906	61280.77592	95625.19804	92931.75096	62657.41179	52320.13824
lysoPC 22:6; [M+H]+@1.34	118318.2232	48409.95789	218769.8057	205611.4303	148710.1333	145132.5942	260557.826	88307.66448	243066.6606	107908.7168	120721.405	317561.6492	176994.6201	284393.9658	149873.5059	125615.8694	99911.301	51110.46192	84350.68147	83912.59557	181525.9353	143195.4395	229828.252	232416.2126	257458.6694	169314.8297
lysoPC 24:0; [M+H]+@5.11	10096.81276	12252.82166	12769.04363	14190.83089	21229.88505	7381.929732	16237.94301	9241.729579	15757.31682	13220.95947	25630.35183	8923.733111	10329.7992	14799.49652	9716.115235	12976.50276	14825.88489	16236.92392	7241.447903	11355.39994	9432.81773	6685.254289	13901.35844	13514.9322	15330.51664	16582.56021
plasmenyl-PC 18:0; [M+Na]+@1.80	373225.9727	180569.0496	281487.032	338517.0825	271425.7838	117324.4296	353750.4236	198865.616	550044.5831	318936.4286	394994.5102	356490.0264	156232.8633	458503.9796	362179.886	136115.4772	208685.7429	182013.8118	130939.9387	96369.04749	294823.6204	234865.1961	372592.1427	331963.5729	311116.8096	320665.8266
plasmenyl-PC 44:4; [M+Na]+@8.24	58117.29499	31610.48469	34236.45227	50204.25522	34092.52677	45475.87111	34642.54699	31384.36225	18431.45062	31451.31698	40192.63006	16210.28749	35911.59976	23456.07615	27782.69481	41683.80053	25096.60248	47221.16774	29232.95217	42771.05782	27920.66126	24558.0738	36089.58701	31360.29299	41779.00601	51398.43237
plasmenyl-PE 34:2; [M+H]+@6.72	79186.54401	83754.49809	40931.36764	52113.8068	105300.8456	41522.63991	71001.18763	31794.4693	51267.79676	70430.67438	58563.70326	52853.58369	52051.7233	74322.09493	64989.77051	47738.17666	35859.83847	77643.56208	52122.71711	64990.25196	52266.89532	55038.48596	69114.66229	72567.0057	62628.28465	50302.38404
plasmenyl-PE 36:2; [M+H]+@7.27	134352.7708	205229.3012	135330.9553	126361.0203	169023.0161	70745.90486	170495.2967	92444.28456	161405.6656	139794.1385	179750.7823	149677.4958	123105.6509	171971.1879	171520.7526	133594.149	87422.18299	165103.7654	166609.5978	163063.8459	112702.133	167966.6462	217600.4944	183066.6624	149940.195	103957.9055
plasmenyl-PE 36:4; [M+H]+@6.63	256032.9045	249582.982	214250.631	396860.681	326312.1737	242367.9216	461630.4751	170713.5917	368978.2859	464109.2961	319912.7242	513694.4186	345244.4031	365941.7081	303692.8783	333687.0355	304996.3699	296016.1296	250152.1717	416277.4596	269922.487	211317.3648	348459.9165	315620.6322	337602.4862	413914.8555
plasmenyl-PE 40:5; [M+H]+@7.43	107921.926	155394.3242	116341.9034	132639.3409	133949.3307	121710.7732	120248.1591	81976.43683	236387.9684	131080.8813	188610.1303	182181.7006	157189.7492	139521.0714	98149.22197	161654.0126	116678.0923	157203.4673	111006.6881	211241.2104	86048.6269	162106.4728	208517.2799	185802.2901	99685.78827	121675.6984
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(16:0); [M+NH4]+@10.92		10.92		246520			LMST01020005	LipidMaps
CE(16:1); [M+NH4]+@10.64		10.64					CE(16:1)	LipidMaps Bulk ID
CE(17:1); [M+NH4]+@10.81		10.81		24779603			LMST01020023	LipidMaps
CE(18:0); [M+NH4]+@11.26		11.26		118246			LMST01020007	LipidMaps
CE(18:1); [M+NH4]+@10.86		10.86		5283632			LMST01020003	LipidMaps
CE(18:2); [M+NH4]+@10.71		10.71		5287939			LMST01020008	LipidMaps
CE(18:3); [M+NH4]+@10.44		10.44		6436907			LMST01020009	LipidMaps
CE(20:3); [M+NH4]+@10.70		10.7		14274976			LMST01020013	LipidMaps
CE(20:4); [M+NH4]+@10.49		10.49		6479222			LMST01020014	LipidMaps
CE(20:5); [M+NH4]+@10.32		10.32		10372299			LMST01020015	LipidMaps
CE(22:4); [M+NH4]+@10.82		10.82		16061341			LMST01020018	LipidMaps
CE(22:5); [M+NH4]+@10.64		10.64		42608400			LMST01020031	LipidMaps
CE(22:6); [M+NH4]+@10.43		10.43		14274978			LMST01020019	LipidMaps
DG 30:0; [M+NH4]+@7.35		7.35					DG(30:0)	LipidMaps Bulk ID
DG 30:1; [M+NH4]+@6.87		6.87					DG(30:1)	LipidMaps Bulk ID
DG 32:0; [M+NH4]+@7.88		7.88					DG(32:0)	LipidMaps Bulk ID
DG 32:1; [M+NH4]+@7.44		7.44					DG(32:1)	LipidMaps Bulk ID
DG 32:2; [M+NH4]+@7.02		7.02					DG(32:2)	LipidMaps Bulk ID
DG 33:0; [M+NH4]+@8.06		8.06					DG(33:0)	LipidMaps Bulk ID
DG 33:1; [M+NH4]+@7.77		7.77					DG(33:1)	LipidMaps Bulk ID
DG 34:0; [M+NH4]+@8.38		8.38					DG(34:0)	LipidMaps Bulk ID
DG 34:2; [M+NH4]+@7.52		7.52					DG(34:2)	LipidMaps Bulk ID
DG 34:3; [M+NH4]+@7.13		7.13					DG(34:3)	LipidMaps Bulk ID
DG 34:4; [M+NH4]+@6.77		6.77					DG(34:4)	LipidMaps Bulk ID
DG 35:1; [M+NH4]+@8.17		8.17					DG(35:1)	LipidMaps Bulk ID
DG 35:2; [M+NH4]+@7.79		7.79					DG(35:2)	LipidMaps Bulk ID
DG 36:0; [M+NH4]+@8.84		8.84					DG(36:0)	LipidMaps Bulk ID
DG 36:1; [M+NH4]+@8.44		8.44					DG(36:1)	LipidMaps Bulk ID
DG 36:2; [M+NH4]+@8.06		8.06					DG(36:2)	LipidMaps Bulk ID
DG 36:3; [M+NH4]+@7.63		7.63					DG(36:3)	LipidMaps Bulk ID
DG 36:4; [M+NH4]+@7.28		7.28					DG(36:4)	LipidMaps Bulk ID
DG 36:5; [M+NH4]+@6.94		6.94					DG(36:5)	LipidMaps Bulk ID
DG 38:1; [M+NH4]+@8.77		8.77					DG(38:1)	LipidMaps Bulk ID
DG 38:2; [M+NH4]+@8.52		8.52					DG(38:2)	LipidMaps Bulk ID
DG 38:3; [M+NH4]+@8.14		8.14					DG(38:3)	LipidMaps Bulk ID
DG 38:4; [M+NH4]+@7.92		7.92					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]+@7.21		7.21					DG(38:6)	LipidMaps Bulk ID
DG 38:7; [M+NH4]+@6.80		6.8					DG(38:7)	LipidMaps Bulk ID
DG 40:5; [M+NH4]+@8.00		8					DG(40:5)	LipidMaps Bulk ID
DG 40:6; [M+NH4]+@7.65		7.65					DG(40:6)	LipidMaps Bulk ID
DG 40:7; [M+NH4]+@7.40		7.4					DG(40:7)	LipidMaps Bulk ID
DG 42:10; [M+NH4]+@7.05		7.05					DG(42:10)	LipidMaps Bulk ID
MG 17:0; [M+Li]+@3.18		3.18		107036			LMGL01010002	LipidMaps
PC 30:0; [M+Na]+@5.98		5.98					PC(30:0)	LipidMaps Bulk ID
PC 33:3; [M+H]+@5.50		5.5					PC(33:3)	LipidMaps Bulk ID
PC 40:9; [M+H]+@5.41		5.41					PC(40:9)	LipidMaps Bulk ID
PC 42:8; [M+H]+@6.39		6.39					PC(42:8)	LipidMaps Bulk ID
PC 44:4; [M+H]+@8.51		8.51					PC(44:4)	LipidMaps Bulk ID
PE 34:2; [M+H]+@6.36		6.36					PE(34:2)	LipidMaps Bulk ID
PE 37:4; [M+H]+@6.68		6.68					PE(37:4)	LipidMaps Bulk ID
SM 29:1; [M]+@3.95		3.95					SM 29:1	LipidBLAST
SM 30:0; [M]+@4.64		4.64		46891775
SM 30:1; [M+Na]+@4.37		4.37					SM 30:1	LipidBLAST
SM 31:1; [M]+@4.74		4.74					SM 31:1	LipidBLAST
SM 32:1; [M]+@5.08		5.08		11433862
SM 32:2; [M+Na]+@4.45		4.45					SM 32:2	LipidBLAST
SM 33:1; [M+Na]+@5.51		5.51		52931139
SM 33:2; [M]+@5.01		5.01					SM 33:2	LipidBLAST
SM 34:1; [M]+@5.77		5.77					SM 34:1	LipidBLAST
SM 34:2; [M]+@5.23		5.23					SM 34:2	LipidBLAST
SM 35:1; [M]+@5.76		5.76					SM 35:1	LipidBLAST
SM 35:2; [M+Na]+@5.66		5.66					SM 35:2	LipidBLAST
SM 36:1; [M+Na]+@6.55		6.55		44260139
SM 36:2; [M]+@5.96		5.96					SM 36:2	LipidBLAST
SM 37:0; [M]+@6.83		6.83					SM 37:0	LipidBLAST
SM 37:1; [M]+@6.85		6.85					SM 37:1	LipidBLAST
SM 37:2; [M]+@6.36		6.36					SM 37:2	LipidBLAST
SM 38:1; [M]+@8.05		8.05					SM 38:1	LipidBLAST
SM 39:1; [M+Na]+@7.50		7.5					SM 39:1	LipidBLAST
SM 39:2; [M]+@6.98		6.98					SM 39:2	LipidBLAST
SM 40:1; [M+Na]+@7.68		7.68					SM 40:1	LipidBLAST
SM 40:2; [M]+@6.75		6.75					SM 40:2	LipidBLAST
SM 40:4; [M]+@6.31		6.31					SM 40:4	LipidBLAST
SM 41:1; [M+Na]+@8.00		8					SM 41:1	LipidBLAST
SM 41:2; [M]+@7.31		7.31					SM 41:2	LipidBLAST
SM 41:4; [M]+@6.58		6.58					SM 41:4	LipidBLAST
SM 41:5; [M]+@6.65		6.65					SM 41:5	LipidBLAST
SM 42:1; [M]+@8.19		8.19		44260133
SM 42:2; [M]+@7.64		7.64					SM 42:2	LipidBLAST
SM 42:4; [M]+@6.86		6.86					SM 42:4	LipidBLAST
SM 42:5; [M]+@6.50		6.5					SM 42:5	LipidBLAST
SM 43:1; [M+Na]+@8.41		8.41					SM 43:1	LipidBLAST
SM 43:2; [M]+@8.17		8.17					SM 43:2	LipidBLAST
SM 44:1; [M]+@8.73		8.73					SM 44:1	LipidBLAST
SM 44:2; [M]+@8.21		8.21					SM 44:2	LipidBLAST
TG 40:0; [M+NH4]+@9.44		9.44					TG(40:0)	LipidMaps Bulk ID
TG 42:0; [M+NH4]+@9.73		9.73					TG(42:0)	LipidMaps Bulk ID
TG 42:1; [M+NH4]+@9.47		9.47					TG(42:1)	LipidMaps Bulk ID
TG 44:1; [M+NH4]+@9.76		9.76					TG(44:1)	LipidMaps Bulk ID
TG 44:2; [M+NH4]+@9.49		9.49					TG(44:2)	LipidMaps Bulk ID
TG 46:0; [M+NH4]+@10.27		10.27					TG(46:0)	LipidMaps Bulk ID
TG 46:1; [M+NH4]+@10.03		10.03					TG(46:1)	LipidMaps Bulk ID
TG 46:2; [M+NH4]+@9.79		9.79					TG(46:2)	LipidMaps Bulk ID
TG 48:0; [M+NH4]+@10.53		10.53					TG(48:0)	LipidMaps Bulk ID
TG 48:1; [M+NH4]+@10.28		10.28					TG(48:1)	LipidMaps Bulk ID
TG 48:2; [M+NH4]+@10.06		10.06					TG(48:2)	LipidMaps Bulk ID
TG 48:3; [M+NH4]+@9.84		9.84					TG(48:3)	LipidMaps Bulk ID
TG 49:0; [M+NH4]+@10.67		10.67					TG(49:0)	LipidMaps Bulk ID
TG 49:1; [M+NH4]+@10.46		10.46					TG(49:1)	LipidMaps Bulk ID
TG 49:2; [M+NH4]+@10.23		10.23					TG(49:2)	LipidMaps Bulk ID
TG 50:0; [M+NH4]+@10.75		10.75					TG(50:0)	LipidMaps Bulk ID
TG 50:1; [M+NH4]+@10.52		10.52					TG(50:1)	LipidMaps Bulk ID
TG 50:2; [M+NH4]+@10.30		10.3					TG(50:2)	LipidMaps Bulk ID
TG 50:3; [M+NH4]+@10.10		10.1					TG(50:3)	LipidMaps Bulk ID
TG 50:4; [M+NH4]+@9.89		9.89					TG(50:4)	LipidMaps Bulk ID
TG 50:5; [M+NH4]+@9.70		9.7					TG(50:5)	LipidMaps Bulk ID
TG 51:1; [M+NH4]+@10.69		10.69					TG(51:1)	LipidMaps Bulk ID
TG 51:2; [M+NH4]+@10.50		10.5					TG(51:2)	LipidMaps Bulk ID
TG 51:3; [M+NH4]+@10.29		10.29					TG(51:3)	LipidMaps Bulk ID
TG 52:0; [M+NH4]+@11.02		11.02					TG(52:0)	LipidMaps Bulk ID
TG 52:1; [M+NH4]+@10.76		10.76					TG(52:1)	LipidMaps Bulk ID
TG 52:2; [M+NH4]+@10.55		10.55					TG(52:2)	LipidMaps Bulk ID
TG 52:3; [M+NH4]+@10.37		10.37					TG(52:3)	LipidMaps Bulk ID
TG 52:4; [M+NH4]+@10.18		10.18					TG(52:4)	LipidMaps Bulk ID
TG 52:5; [M+NH4]+@10.00		10					TG(52:5)	LipidMaps Bulk ID
TG 52:6; [M+NH4]+@9.77		9.77					TG(52:6)	LipidMaps Bulk ID
TG 52:7; [M+NH4]+@9.59		9.59					TG(52:7)	LipidMaps Bulk ID
TG 53:0; [M+NH4]+@11.13		11.13					TG(53:0)	LipidMaps Bulk ID
TG 53:1; [M+NH4]+@10.91		10.91					TG(53:1)	LipidMaps Bulk ID
TG 53:2; [M+NH4]+@10.73		10.73					TG(53:2)	LipidMaps Bulk ID
TG 53:3; [M+NH4]+@10.52		10.52					TG(53:3)	LipidMaps Bulk ID
TG 53:4; [M+NH4]+@10.34		10.34					TG(53:4)	LipidMaps Bulk ID
TG 53:5; [M+NH4]+@10.14		10.14					TG(53:5)	LipidMaps Bulk ID
TG 54:0; [M+NH4]+@11.25		11.25					TG(54:0)	LipidMaps Bulk ID
TG 54:1; [M+NH4]+@11.04		11.04					TG(54:1)	LipidMaps Bulk ID
TG 54:2; [M+NH4]+@10.82		10.82					TG(54:2)	LipidMaps Bulk ID
TG 54:3; [M+NH4]+@10.62		10.62					TG(54:3)	LipidMaps Bulk ID
TG 54:4; [M+NH4]+@10.41		10.41					TG(54:4)	LipidMaps Bulk ID
TG 54:5; [M+NH4]+@10.20		10.2					TG(54:5)	LipidMaps Bulk ID
TG 54:6; [M+NH4]+@10.06		10.06					TG(54:6)	LipidMaps Bulk ID
TG 54:7; [M+NH4]+@9.89		9.89					TG(54:7)	LipidMaps Bulk ID
TG 54:8; [M+NH4]+@9.68		9.68					TG(54:8)	LipidMaps Bulk ID
TG 55:3; [M+NH4]+@10.75		10.75					TG(55:3)	LipidMaps Bulk ID
TG 56:2; [M+NH4]+@11.07		11.07					TG(56:2)	LipidMaps Bulk ID
TG 56:3; [M+NH4]+@10.87		10.87					TG(56:3)	LipidMaps Bulk ID
TG 56:4; [M+NH4]+@10.70		10.7					TG(56:4)	LipidMaps Bulk ID
TG 56:5; [M+NH4]+@10.53		10.53					TG(56:5)	LipidMaps Bulk ID
TG 56:6; [M+NH4]+@10.34		10.34					TG(56:6)	LipidMaps Bulk ID
TG 56:7; [M+NH4]+@10.19		10.19					TG(56:7)	LipidMaps Bulk ID
TG 56:8; [M+NH4]+@10.01		10.01					TG(56:8)	LipidMaps Bulk ID
TG 56:9; [M+NH4]+@9.81		9.81					TG(56:9)	LipidMaps Bulk ID
TG 57:9; [M+NH4]+@9.96		9.96					TG(57:9)	LipidMaps Bulk ID
TG 58:1; [M+NH4]+@11.51		11.51					TG(58:1)	LipidMaps Bulk ID
TG 58:10; [M+NH4]+@9.90		9.9					TG(58:10)	LipidMaps Bulk ID
TG 58:11; [M+NH4]+@9.75		9.75					TG(58:11)	LipidMaps Bulk ID
TG 58:12; [M+NH4]+@9.57		9.57					TG(58:12)	LipidMaps Bulk ID
TG 58:2; [M+NH4]+@11.29		11.29					TG(58:2)	LipidMaps Bulk ID
TG 58:3; [M+NH4]+@11.10		11.1					TG(58:3)	LipidMaps Bulk ID
TG 58:4; [M+NH4]+@10.89		10.89					TG(58:4)	LipidMaps Bulk ID
TG 58:5; [M+NH4]+@10.77		10.77					TG(58:5)	LipidMaps Bulk ID
TG 58:6; [M+NH4]+@10.57		10.57					TG(58:6)	LipidMaps Bulk ID
TG 58:7; [M+NH4]+@10.48		10.48					TG(58:7)	LipidMaps Bulk ID
TG 58:8; [M+NH4]+@10.24		10.24					TG(58:8)	LipidMaps Bulk ID
TG 58:9; [M+NH4]+@10.11		10.11					TG(58:9)	LipidMaps Bulk ID
TG 60:11; [M+NH4]+@10.08		10.08					TG(60:11)	LipidMaps Bulk ID
TG 60:12; [M+NH4]+@9.87		9.87					TG(60:12)	LipidMaps Bulk ID
TG 60:13; [M+NH4]+@9.66		9.66					TG(60:13)	LipidMaps Bulk ID
lysoPC 14:0; [M+H]+@1.06		1.06					LPC(14:0)	LipidMaps Bulk ID
lysoPC 15:0; [M+H]+@1.26		1.26		24779458			LMGP01050016	LipidMaps
lysoPC 16:0; [M+H]+@1.57		1.57					LPC(16:0)	LipidMaps Bulk ID
lysoPC 16:1; [M+H]+@1.29		1.29					LPC(16:1)	LipidMaps Bulk ID
lysoPC 17:1; [M+H]+@1.49		1.49					LPC(17:1)	LipidMaps Bulk ID
lysoPC 18:0; [M+H]+@2.38		2.38					LPC(18:0)	LipidMaps Bulk ID
lysoPC 18:1; [M+H]+@1.74		1.74					LPC(18:1)	LipidMaps Bulk ID
lysoPC 18:2; [M+H]+@1.33		1.33					LPC(18:2)	LipidMaps Bulk ID
lysoPC 18:3; [M+H]+@1.09		1.09					LPC(18:3)	LipidMaps Bulk ID
lysoPC 19:0; [M+H]+@2.86		2.86		24779472			LMGP01050041	LipidMaps
lysoPC 20:0; [M+H]+@3.31		3.31		24779473			LMGP01050045	LipidMaps
lysoPC 20:1; [M+H]+@2.52		2.52					LPC(20:1)	LipidMaps Bulk ID
lysoPC 20:3; [M+Na]+@1.45		1.45					LPC(20:3)	LipidMaps Bulk ID
lysoPC 20:4; [M+Na]+@1.42		1.42					LPC(20:4)	LipidMaps Bulk ID
lysoPC 20:5; [M+H]+@1.05		1.05		11757087			LMGP01050050	LipidMaps
lysoPC 22:4; [M+H]+@1.83		1.83		52924039			LMGP01050124	LipidMaps
lysoPC 22:5; [M+H]+@1.46		1.46					LPC(22:5)	LipidMaps Bulk ID
lysoPC 22:6; [M+H]+@1.34		1.34		10415542			LMGP01050056	LipidMaps
lysoPC 24:0; [M+H]+@5.11		5.11		24779481			LMGP01050057	LipidMaps
plasmenyl-PC 18:0; [M+Na]+@1.80		1.8					PC(P-18:0)	LipidMaps Bulk ID
plasmenyl-PC 44:4; [M+Na]+@8.24		8.24					plasmenyl-PC 44:4	LipidBLAST
plasmenyl-PE 34:2; [M+H]+@6.72		6.72					PE(P-34:2)	LipidMaps Bulk ID
plasmenyl-PE 36:2; [M+H]+@7.27		7.27					PE(P-36:2)	LipidMaps Bulk ID
plasmenyl-PE 36:4; [M+H]+@6.63		6.63					PE(P-36:4)	LipidMaps Bulk ID
plasmenyl-PE 40:5; [M+H]+@7.43		7.43					PE(P-40:5)	LipidMaps Bulk ID
METABOLITES_END
#END