#METABOLOMICS WORKBENCH araskind_20170605_141117 DATATRACK_ID:970 STUDY_ID:ST000686 ANALYSIS_ID:AN001058 PROJECT_ID:PR000485
VERSION             	1
CREATED_ON             	June 30, 2017, 12:13 pm
#PROJECT
PR:PROJECT_TITLE                 	Impact of prenatal bisphenol A (BPA) on the lipidomics of the female sheep
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Gestational exposure of bisphenol A in female sheep induces metabolic phenotype
PR:PROJECT_SUMMARY               	and the impact of BPA on lipidomics is being assessed to determine the mechanism
PR:PROJECT_SUMMARY               	that leads to altered insulin sensitivity
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Environmental Health Science
PR:LABORATORY                    	Padmanabhan Lab
PR:LAST_NAME                     	Padmanabhan
PR:FIRST_NAME                    	Vasantha
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	vasantha@umich.edu
PR:PHONE                         	734-647-0276
#STUDY
ST:STUDY_TITLE                   	Lipodomics and Gestational bisphenol A (BPA) exposure
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	Gestational BPA exposure in sheep induces metabolic phenotype in sheep
ST:STUDY_SUMMARY                 	characterized by peripheral insulin resistance and increased adipocyte size.
ST:STUDY_SUMMARY                 	Because insulin sensitivity can be regulated by various agents including free
ST:STUDY_SUMMARY                 	fatty acids (FFA), we hypothesize that gestational BPA exposure alters
ST:STUDY_SUMMARY                 	circulating FFA inducing dyslipidemia, a marker of metabolic disorder. Because
ST:STUDY_SUMMARY                 	saturated FFA is associated with insulin resistance, determination of the FFA
ST:STUDY_SUMMARY                 	profile in these species aid in understanding the underlying mechanism.
ST:STUDY_SUMMARY                 	Additionally, because of the non-monotonic nature of responses to BPA exposure
ST:STUDY_SUMMARY                 	dose response studies are also needed. This study will therefore assess plasma
ST:STUDY_SUMMARY                 	lipid profile in sheep exposed to three different doses of BPA prenatally and
ST:STUDY_SUMMARY                 	compared with untreated control animals
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                    	4
ST:TOTAL_SUBJECTS                	28
ST:STUDY_COMMENTS                	Metabolic disorders such as obesity and diabetes are currently widespread with
ST:STUDY_COMMENTS                	epidemic proportions. Recent studies have implicated that these disorders have
ST:STUDY_COMMENTS                	developmental basis due to maternal exposure to adverse insults including
ST:STUDY_COMMENTS                	endocrine disruptors such as Bisphenol A (BPA). As BPA is present in maternal
ST:STUDY_COMMENTS                	serum, amniotic fluid, cord blood taken at birth, placenta, colostrum and breast
ST:STUDY_COMMENTS                	milk suggests that BPA has developmental impacts. In fact developmental BPA
ST:STUDY_COMMENTS                	exposure have been linked to intrauterine growth restriction and low birth
ST:STUDY_COMMENTS                	weight offspring, risk factors for adult cardiometabolic abnormalities. Animal
ST:STUDY_COMMENTS                	models are helpful to study the effect of developmental BPA exposure and
ST:STUDY_COMMENTS                	determine associated mechanisms.
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Ovis aries
SU:TAXONOMY_ID                   	9940
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0018573	S00028709	BPA_DOSE:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018574	S00028710	BPA_DOSE:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018575	S00028711	BPA_DOSE:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018576	S00028712	BPA_DOSE:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018577	S00028713	BPA_DOSE:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018578	S00028714	BPA_DOSE:Low	
SUBJECT_SAMPLE_FACTORS           	SU0018579	S00028715	BPA_DOSE:Low	
SUBJECT_SAMPLE_FACTORS           	SU0018580	S00028716	BPA_DOSE:Low	
SUBJECT_SAMPLE_FACTORS           	SU0018581	S00028717	BPA_DOSE:Low	
SUBJECT_SAMPLE_FACTORS           	SU0018582	S00028718	BPA_DOSE:Low	
SUBJECT_SAMPLE_FACTORS           	SU0018583	S00028719	BPA_DOSE:Low	
SUBJECT_SAMPLE_FACTORS           	SU0018584	S00028720	BPA_DOSE:Low	
SUBJECT_SAMPLE_FACTORS           	SU0018585	S00028721	BPA_DOSE:Low	
SUBJECT_SAMPLE_FACTORS           	SU0018586	S00028722	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018587	S00028723	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018588	S00028724	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018589	S00028725	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018590	S00028726	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018591	S00028727	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018592	S00028728	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018593	S00028729	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018594	S00028730	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018595	S00028731	BPA_DOSE:Medium	
SUBJECT_SAMPLE_FACTORS           	SU0018596	S00028732	BPA_DOSE:High	
SUBJECT_SAMPLE_FACTORS           	SU0018597	S00028733	BPA_DOSE:High	
SUBJECT_SAMPLE_FACTORS           	SU0018598	S00028734	BPA_DOSE:High	
SUBJECT_SAMPLE_FACTORS           	SU0018599	S00028735	BPA_DOSE:High	
SUBJECT_SAMPLE_FACTORS           	SU0018600	S00028736	BPA_DOSE:High	
#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                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	peak area normalized
MS_METABOLITE_DATA_START
Samples	S00028709	S00028710	S00028711	S00028712	S00028713	S00028714	S00028715	S00028716	S00028717	S00028718	S00028719	S00028720	S00028721	S00028722	S00028723	S00028724	S00028725	S00028726	S00028727	S00028728	S00028729	S00028730	S00028731	S00028732	S00028733	S00028734	S00028735	S00028736
Factors	BPA_DOSE:Control	BPA_DOSE:Control	BPA_DOSE:Control	BPA_DOSE:Control	BPA_DOSE:Control	BPA_DOSE:Low	BPA_DOSE:Low	BPA_DOSE:Low	BPA_DOSE:Low	BPA_DOSE:Low	BPA_DOSE:Low	BPA_DOSE:Low	BPA_DOSE:Low	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:Medium	BPA_DOSE:High	BPA_DOSE:High	BPA_DOSE:High	BPA_DOSE:High	BPA_DOSE:High
CL 72:3; [M-2H](2-)@6.91	24621.92109	39020.89417	24029.16247	23685.76632	16482.84415	37594.36322	29306.80603	18202.29248	23630.72831	15218.75455	29450.45308	17443.86037	26558.84266	38986.2957	14522.62769	30206.81182	24863.20587	22951.04876	48728.10514	21804.27151	31990.47092	32860.34343	20457.61297	28616.18552	32941.00781	31976.62873	13597.38018	17942.58726
CL 76:5; [M-2H](2-)@7.09	33758.46416	18005.49088	8187.654422	21030.87019	9792.786988	15370.98483	14722.31576	15983.38781	7797.798861	8494.414337	11031.32917	14906.95293	16137.93289	14212.78907	20254.01934	18260.44216	17816.48005	10712.5206	11775.51874	8301.908171	20795.4114	11457.17676	6528.373556	20906.02266	5952.914577	13858.68127	11749.20752	9315.656521
CerP 32:1; [M-H]-@5.21	5123.944198	5029.17828	2205.445709	5378.175371	2953.026143	4344.92262	2701.124409	3837.817076	3152.763474	2751.139919	3371.677271	2411.343467	2845.357975	2697.359779	1855.954926	5301.746769	4556.41405	2256.569326	3293.190313	1506.030175	5111.78641	1409.365881	2160.532391	2461.929793	1419.212074	2044.489569	2971.10248	3489.454969
CerP 34:1; [M-H]-@5.95	214895.1914	224956.8447	187835.4648	222216.0285	244830.0192	211625.9728	244643.7339	216174.5721	244075.4883	235650.025	291634.2575	206514.0289	211700.9349	283195.2002	182525.1319	353715.0558	303792.3686	192278.204	324524.049	218857.2495	264028.054	291904.3251	200581.8122	147108.1496	184914.2534	263416.6045	245062.1365	178859.1364
CerP 34:2; [M-H]-@5.45	26819.05767	29000.78936	35911.81468	29358.85485	50621.19067	22595.12382	45981.12973	38829.80044	28516.86809	40776.95286	19014.44611	23946.84606	42939.14694	39152.63137	23033.87968	38085.43063	41861.50486	15090.19345	33650.40617	15408.33422	22801.41448	37973.93717	29215.43646	23697.70183	39884.97661	56509.18019	29416.60556	14029.60852
CerP 35:1; [M-H]-@6.29	125326.3127	110090.246	114657.3139	99342.44775	136001.8915	87604.26264	132483.4336	85457.84937	134136.2487	102434.2496	115675.7236	29417.98202	101238.1239	166952.1147	39598.98945	106175.4209	131732.4432	121375.1273	175734.0194	116562.6384	166704.2277	155546.8759	120596.3296	122468.096	122939.473	171965.5805	149062.8535	29490.01037
CerP 41:1; [M-H]-@8.23	62639.20124	68712.20133	73037.93731	63445.28795	71404.58222	59801.88723	52927.85285	56495.94498	75062.57418	70408.9378	76780.92462	68554.93317	73342.48152	66547.17011	60291.00624	88515.75957	86287.38285	58666.0718	92110.10524	45606.19471	55200.67787	88349.49085	73127.09978	53779.53205	63656.88046	75426.79617	63415.75056	58060.71959
FFA(16:0)	37278087.49	33530604.94	38000735.72	48743039.14	41333671.27	34933261.16	33774871.15	35905539.02	40813314.55	45310122.47	48370083.66	51223828.72	36010848.12	34848079.77	35862874.47	37799145.72	38568234.07	32643566.34	43089087.25	38391328.16	39805340.06	36601328.36	29733723.18	29399575.08	36425349.8	37178805.05	29150977.51	38172110.71
FFA(18:0)	54964465.37	48222675.94	51782530.42	67634781.14	56068526.54	50540417.57	50103381.22	52058225.92	53187863.76	56169518.6	62005253.14	67124649.37	52234897	47909209.25	50794703.44	54404690.07	56218224.51	49213631.62	59181252.75	53414755.34	51707027.88	51262138.21	47900608.63	44524048	50627046.15	48545502.14	44600730.29	56222045.79
FFA(18:1)	50237664.3	35282349.72	58657953.9	77396881.98	64314870.96	46495171.74	42332812.43	47553672.06	59927708.07	73314106.27	73089514.13	79026135.43	49822272.28	49575810.02	54885143.7	45408811.83	44072278.96	41322848.65	60854116.21	62989182.14	61216184.71	49702058.07	42875550.37	31586696.21	48051498.36	59492220.34	29078175.51	55844544.45
FFA(18:2)	16937434.54	13357588.83	21088524.14	30376681.7	23425523.35	17352428.42	15719551.34	18128315.52	23239126.25	27410846.81	28461871.21	29210860.05	19954429.49	17763802.22	18612380.57	19149480.94	15151728.78	15245905.53	22224707.79	23784984.56	23124218.13	17946786.15	14551302.21	11187774.58	17097500.43	20862819.65	10593487.61	18472331.27
FFA(20:0)	2443156.08	2326116.217	2030169.218	2589087.215	2297629.987	2061190.168	2231060.459	2183172.971	2167538.678	1986521.642	2534521.678	2518361.345	2458048.096	2055720.41	1948184.437	2724124.754	2302320.692	2169417.942	2390044.811	2164893.488	2229675.274	2247477.532	1865257.805	2099087.899	2195552.556	1870636.259	2149457.31	2247278.698
FFA(20:1)	470898.4945	389516.782	526220.205	684294.7989	637943.1111	396302.6509	456753.6517	434251.3315	575155.7088	655363.4528	707934.7286	701518.311	878537.1302	465800.2425	607624.7547	391701.2502	402795.381	350028.916	483139.8971	841885.2457	482995.5965	467564.6559	419369.5776	309384.066	475872.6835	583291.2398	285796.9426	513892.0548
FFA(20:2)	220097.7779	151923.1331	300443.4559	382545.5088	340717.3623	194965.1267	200482.9103	243486.7887	335785.4922	415646.5054	320661.1285	336255.7044	503234.0859	215998.8644	370738.0632	151609.026	146207.9623	187827.492	216035.6626	405357.7841	272060.1357	235205.7848	251830.7155	150854.4326	209554.3881	357979.2695	115655.1965	209256.5
FFA(20:4) Arachidonic acid	5700718.13	4555766.304	6401678.621	7362488.714	6949529.574	5025410.87	5743836.103	4702633.729	5212208.348	6604350.944	6150995.684	5882311.788	4706051.866	5095263.212	5771867.796	4418413.197	5100309.453	4652192.535	6177006.86	5455796.53	5269296.221	5490271.423	5625820.256	4165078.205	4868548.4	6173837.766	4458301.888	3867486.141
FFA(22:0)	787156.1836	948298.8966	718156.7378	798511.6311	874557.7749	768248.1409	758082.7708	727972.8876	808523.1878	676559.6035	846357.2058	840425.9265	1003370.126	716538.9688	717992.157	1029928.218	895556.3403	744773.6121	902384.763	798071.2632	808689.2575	887614.6701	715502.5655	725985.8266	815719.8026	664563.2068	705405.8463	678873.513
FFA(22:1)	96616.86895	72982.38978	56449.95661	91276.81621	56927.77502	82054.13997	64591.05882	88561.86852	77727.47465	102274.7491	53549.59137	77124.79671	166117.0825	82388.38193	64866.14119	69719.23037	115133.2344	80832.85332	91629.56547	171176.5847	73948.1661	69899.342	78700.22183	50729.97729	96226.09086	59445.31704	66153.76126	74474.97314
FFA(22:2)	32434.356	21475.07632	51154.08075	31717.6905	55194.7924	17907.06117	31731.68165	31528.11341	24462.2473	37597.44341	16110.06717	25577.66362	142067.7843	22149.02998	40649.48959	31676.03033	24458.79939	14337.53171	27140.89084	44911.00394	12199.12993	38935	35612.82539	15156.29031	39736.16296	39517.7397	21344.14292	19319.63034
FFA(22:3)	29625.27666	39434.48211	33189.8244	38376.77587	61588.1166	34800.70738	25063.13391	46892.38264	47857.47448	39491.2525	45580.839	32710.4896	138461.6509	29138.79588	78307.62907	19033.17798	42268.50973	24098.58536	36060.86282	108561.8534	30680.16861	40947.46915	23411.45615	23368.86391	17662.06987	34533.1898	13862.92172	29987.42091
FFA(24:0)	386394.5077	724027.4787	368693.4624	277805.3223	451706.1832	405301.2503	530447.463	334421.7754	307766.3794	231798.914	329078.5165	314022.0345	936991.4165	393977.7599	514403.6245	390971.8204	441225.3775	376753.7764	558075.0485	881172.1528	361567.5838	421943.3101	291825.2359	408012.8007	323568.1191	322107.2459	360875.6008	213014.481
FFA(24:1)	115462.9649	230574.1396	68494.76505	87338.03768	180752.8193	94826.62624	129893.7621	91252.4593	98783.89832	75204.28672	108356.4854	98679.39986	172446.4255	102875.7657	111531.9148	188648.9243	118854.9596	96930.86144	162428.3748	153691.1941	74912.72517	151407.6149	86484.35884	95787.45228	109042.73	101314.8128	96648.49409	76083.08384
FFA(24:2)	18462.9894	16199.44705	11149.76693	14649.8887	18018.73183	10586.42964	17847.58166	18213.423	15660.54497	6150.991992	10097.47203	9284.932438	27688.42752	12003.13361	16461.69727	18043.56667	11353.25784	15708.36406	17100.62696	26467.37295	10013.84825	17427.53695	11879.2269	13338.2775	15835.87082	19944.03862	10292.80922	12792.41361
FFA(24:3)	1242.178956	2427.731501	699.1754429	1556.509311	1763.212114	4205.631271	2609.068082	3833.342762	1728.520125	2883.299098	1947.881737	3205.730451	9158.118135	2326.758204	4518.831837	1771.351658	2722.261628	1267.50998	1745.092312	8034.576127	1270.100062	3898.94936	1957.641767	1877.344072	1272.544114	2275.659293	1479.949672	1149.707855
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45	10592.96589	20448.44271	7835.598171	11928.62024	9417.545729	9626.197674	15068.98655	8904.337682	12556.40914	6274.789814	8180.769488	19074.84636	8778.467133	11316.18134	8234.389865	10040.1114	6468.28758	9164.531813	7138.77779	7370.15781	13341.48638	9879.396057	6109.244584	11873.5165	8500.847859	14940.24057	7869.451662	6590.785218
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46	8468.33601	17245.49961	10785.22317	9633.962845	10344.20058	13283.0821	13402.44992	6269.229589	11288.91572	4800.896331	9227.035431	12231.04411	10184.16775	13335.89386	14239.23649	11297.87008	17826.55042	6662.381159	6622.728868	10329.96897	19218.74257	21084.67022	9130.51105	8914.624649	9367.912827	10311.08786	12990.97553	5613.691561
N-(dodecanoyl)-sphing-4-enine; [M-H]-@5.51	5349.844802	8091.6712	9826.130685	7175.10989	8621.29526	9144.117412	8076.611142	6583.641168	10137.37812	4010.071764	5731.748985	12719.04376	9661.544044	6732.565332	13593.52446	11433.35791	8246.243729	7658.548438	4783.588743	9230.412084	6494.830452	5963.578376	7034.051243	3237.191161	7285.439629	5425.870697	7215.026432	11860.96953
N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.96	1982.609816	1755.214424	2727.281394	2248.916362	754.5275314	4057.436782	4719.419428	3113.612837	1590.329481	469.7359628	1286.679552	3363.506733	4191.499848	3776.772949	2070.347502	7174.025192	2862.86545	1238.565914	7625.20936	4033.954502	1854.734903	1138.191879	1945.000466	1590.569438	573.5189951	3043.548944	2156.556095	2762.372347
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.85	20980.19078	30354.3323	36439.31507	30572.38509	24448.4072	30649.49991	26287.68223	20209.53323	26970.09898	18244.58082	33065.38692	31551.575	28430.58576	25408.29892	20070.36455	25909.79181	41776.74904	22160.4109	33330.38892	34562.95141	32348.2066	19891.5811	22214.97989	20803.13595	29277.47787	17777.15054	26639.54931	22338.50869
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44	13095.80463	12061.57552	6314.340101	24467.27252	8905.555389	7939.084309	17254.70063	12238.24525	6859.493055	10132.13545	10091.0499	11045.88508	7382.328768	9743.143409	13465.7684	5744.77472	8063.761299	5924.985669	6261.7661	20187.07974	17543.51017	3391.014534	5808.487456	5885.043277	8337.297091	9099.822478	8371.75671	7974.687959
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.94	37408.57232	34480.06517	52150.53891	27945.53556	83737.89103	37615.26648	50466.57352	41328.49187	51247.1832	35779.59976	19916.89237	19638.52533	58665.36636	39913.00841	20483.90375	34348.63688	77894.56672	25124.80522	30362.5046	33385.41611	39862.06878	77491.65284	38610.44957	37267.94737	65186.74694	39332.28691	24680.25666	21469.87428
PA 34:1; [M-H]-@6.87	25620.26584	34316.71391	39169.78421	47107.23326	43529.57157	32077.45145	35422.96056	32183.9809	51543.97353	33609.00335	47471.54548	44551.64261	40265.00406	43769.54528	33182.17737	42663.82399	38304.17486	40111.20302	55999.50836	29093.61452	40824.0552	41043.1092	35783.28471	33059.25313	32677.14041	43652.80827	34267.26356	34538.29972
PA 34:2; [M-H]-@6.46	22473.70913	28519.26762	33218.42377	39142.2592	18042.15119	25256.75442	34962.57757	28965.98522	42049.65408	20531.56828	32848.37209	34067.40799	32353.94013	39799.89926	25738.6661	39267.5473	37476.62614	17342.97025	45559.31638	22804.67388	33588.71065	30296.10219	27944.32375	25580.10564	25832.09482	42883.46784	24617.10683	24351.54901
PA 34:3; [M-H]-@6.04	8913.82434	11038.00189	1735.303652	3300.400545	2632.509258	3141.716296	5746.637492	8720.779199	4673.66821	4023.811539	3706.57299	9758.078434	7921.615438	9190.272846	4366.843906	7322.001865	5318.761497	4645.312666	4235.086461	3528.299214	5912.60711	3893.671346	2541.869405	2996.932574	2334.175168	3822.498613	4198.839001	8692.643342
PA 35:1; [M-H]-@6.95	31859.75849	20967.50077	23157.42149	31950.16981	38679.05784	20265.46695	34178.57258	23344.38947	28111.5004	28411.37397	17303.30983	22602.58754	42381.89493	32183.83915	20879.42995	27023.54	30163.35599	19555.51334	24599.32252	13565.17671	20377.05024	35468.21868	30831.17683	24664.81511	41269.35639	40268.88923	19383.18389	20808.49536
PA 36:1; [M-H]-@7.52	73715.97003	64286.82704	54693.33043	90880.9914	66047.43431	69954.79867	54612.40577	69293.00003	75945.88214	68068.35744	67396.65376	68895.67606	52108.48214	64347.65095	53500.42484	60232.61244	108069.0391	53474.66801	62637.30796	63152.73552	58816.52742	78221.11904	57625.75029	65337.32836	55522.27473	77135.15142	68851.28259	55067.75718
PA 36:2; [M-H]-@6.89	107638.9605	130487.2563	110828.638	124735.1109	128130.6842	112687.0996	130456.5504	91881.40211	144032.3508	103629.0939	143104.1725	143783.5142	124050.6396	136480.2749	83786.93314	153946.4878	159909.7483	97826.49037	138534.1517	109389.3892	119737.0582	110747.7437	91071.83448	91109.21473	130932.3199	119526.1106	98047.66989	103575.5718
PA 36:3; [M-H]-@6.50	104131.6897	110264.2634	83812.34863	116497.5706	90894.34277	92974.27931	90519.81773	95841.90212	142599.1556	77377.42945	120304.8311	94780.45026	102490.7485	116608.084	70894.97903	135849.8603	117528.7785	89865.4386	121457.2498	86588.06687	116256.4886	102314.3678	89445.25717	79053.567	89868.42346	89007.03422	92451.08256	82124.11738
PA 36:4; [M-H]-@6.29	26912.15222	28788.89334	29569.8547	35927.59024	42945.69674	18722.40742	42560.89996	23645.26228	20377.60848	10562.26821	17091.02345	17297.51437	44235.59844	50623.21294	13899.28251	15890.17967	16727.09258	22369.01062	17667.36816	17054.04275	24726.78194	35853.33905	45123.78969	25736.09279	50413.88687	40466.03407	24358.82941	10793.10144
PA 36:5; [M-H]-@5.99	3286.539752	5463.301922	3838.541248	2293.822913	2998.12235	2055.169918	7926.078753	2338.251054	5650.088757	1288.363592	3110.689813	3034.008902	3472.668424	4083.310113	2525.505692	3114.612096	3914.496132	1029.610444	8129.764582	664.4204474	3982.969994	2370.238919	3519.790202	4533.694949	2398.644083	2560.689689	4118.148185	1343.54302
PA 38:4; [M-H]-@7.02	17440.84881	33290.91786	23781.01246	3318.749935	22892.43622	24022.74555	33579.61478	26006.76644	34174.3835	14913.02421	26074.30666	27860.69081	68139.48972	24090.59392	64362.5446	19262.31289	28617.9539	20551.43865	18042.61146	58325.50872	25559.77927	49488.8275	69592.0138	19747.83719	21167.34519	29580.69135	31087.0577	54390.13423
PA 38:5; [M-H]-@6.51	42333.46945	58570.61363	38319.71894	38991.06783	35547.92648	47480.01153	31794.79744	30846.43263	41860.73609	27339.39965	39821.863	39961.6307	45290.84467	40790.74656	31573.27266	32904.60742	55398.45213	38014.0939	51459.62971	34966.8034	22231.15064	45639.2225	43533.41254	32551.02604	38357.26246	27321.72758	44610.26957	29037.70849
PA 38:6; [M-H]-@6.27	10335.85437	18259.92526	11097.64976	10791.57845	17870.61449	10123.97715	17163.03217	12072.71464	8990.268077	9225.617571	14041.47194	9394.792357	9744.155103	16646.32147	10416.81793	17392.80269	11007.22834	12946.13118	19587.84546	9839.568868	17695.6657	10680.21521	13498.33995	10555.98863	10557.19593	12916.82281	11319.50968	13945.55563
PA 40:6; [M-H]-@6.51	50850.32186	67879.42143	68001.5409	39968.11838	69518.90568	53402.96993	62923.46069	47823.61873	46658.55385	46196.62569	50766.54195	57389.65679	54859.47278	59852.06869	45973.26501	44473.54806	69483.7428	39251.12342	66028.25022	47934.51261	59547.21987	55364.3429	68398.42531	50012.13461	55516.05219	53167.0678	65190.44234	43813.05123
PC 30:1; [M-Ac-H]-@5.60	3691.161867	17680.00382	6332.378438	4972.921768	10912.58175	6166.079793	11841.28324	4885.414415	9698.224103	6843.226466	16376.74733	5839.256258	10892.95332	13322.89573	7512.729935	10466.3048	15245.62797	7360.090393	11157.90996	6508.883187	11911.12333	16037.41826	7304.287819	8018.002015	6988.946017	7552.767779	10449.60573	5255.718735
PC 32:0; [M-Ac-H]-@6.83	144018.6746	161987.1243	206536.2057	197066.5846	179051.4607	138665.4154	196423.6936	161627.8972	196388.7231	169790.1495	189623.4223	165338.0593	194467.6866	154004.2281	132837.7931	150345.851	191636.7859	113085.7209	241509.2473	146655.9859	183147.1529	190502.7826	209681.8252	143632.2331	157177.6141	188757.4206	158208.8486	134730.0635
PC 32:1; [M-Ac-H]-@6.36	57000.90917	89472.14438	75217.00472	45443.62862	66049.22055	46686.33125	76482.84003	50526.08072	56750.57935	39999.90538	63545.84649	42482.01813	67284.39752	87512.42357	62428.24083	72480.55123	56653.76161	75693.29154	86507.2734	39616.24755	90425.76586	86213.65084	49678.87742	35444.30859	38888.82096	69343.5699	71293.04739	40528.51629
PC 32:2; [M-Ac-H]-@5.80	12082.07556	10769.85738	10279.67117	8958.722105	9965.763522	13740.87399	16498.22698	20623.2818	22910.89904	8990.542775	29071.33594	8316.952058	19989.48762	11905.6588	12616.29039	14434.4865	12462.74721	8356.976969	15042.02588	9214.144048	8791.42604	1072.021202	4706.22359	10953.9129	14625.22465	12083.20793	10098.81353	6603.069967
PC 33:2; [M-Ac-H]-@6.15	36313.02669	48134.14889	44911.60892	12585.04536	27453.79704	34799.37009	25762.66347	19195.36983	82323.32726	28055.33842	79383.75738	24769.92186	40121.22392	70229.37166	36207.11268	33666.19782	30712.417	28467.93451	52467.22961	20132.63542	18992.41988	62024.37325	37285.50596	1340.171327	23975.17384	20911.93582	53471.02191	21401.98336
PC 34:1; [M-Ac-H]-@6.88	774088.0766	853078.6733	829307.7647	757947.9991	917302.6353	732840.3772	1171327.894	694397.128	974389.2736	864777.5336	797445.833	715980.0027	899099.1299	1107467.504	756444.1967	851165.4852	1034641.99	716516.1397	1115007.599	666463.1785	938336.2549	1058169.04	856848.088	742813.8343	847097.8874	1222684.296	731322.4705	701586.0002
PC 34:2; [M-Ac-H]-@6.42	900502.322	867597.7046	850331.2046	887623.5064	868409.7572	767606.1917	1092925.156	811322.8589	1106951.159	703481.5409	1000675.452	741960.5327	1146660.279	1395526.545	840045.6575	1070891.445	1057612.868	802196.7502	969768.4311	713102.9479	986456.2029	1008790.73	812277.0855	790122.1671	887429.3545	984498.8368	873618.6163	652071.1094
PC 34:3; [M-Ac-H]-@6.00	109677.0594	147869.8185	59465.54714	88205.16765	73433.78466	76645.75045	169124.681	91214.5888	91060.44342	57338.38401	69897.95389	87145.85402	151400.6703	120606.1644	65130.42353	105996.3388	109902.6307	68113.73887	69302.1819	61831.53176	147267.905	75708.92519	52739.66597	58211.02272	70838.93777	107261.3891	71533.16893	83259.42049
PC 34:4; [M-Ac-H]-@5.75	11804.34035	14450.67803	8567.978981	1019.908654	5156.745194	6036.24146	9180.523715	8757.770953	3039.54603	6466.733724	5309.763858	4925.7726	12457.23655	15185.80354	9422.055438	10316.3005	4496.032452	6719.000065	7862.063015	4467.93229	12475.5834	6139.4514	2982.963799	4392.618684	4843.742534	6545.608077	3513.827618	5129.953797
PC 35:0; [M-Ac-H]-@7.73	38536.14339	56688.20589	58138.65266	49590.57847	44276.6024	34758.18282	59945.88164	47696.84108	39445.47507	47753.61318	33734.54563	36780.74558	68404.33038	55214.71672	30305.67364	48133.4563	50611.6079	36565.23231	42714.7407	38966.27054	41305.65016	43835.10969	50954.77016	38705.87078	42834.50029	40339.624	48988.95293	30659.44036
PC 35:1; [M-Ac-H]-@7.23	109589.8134	150944.7184	107221.9519	173656.0112	171250.9406	111144.4104	115469.1646	115631.1517	178057.241	89029.62215	124741.4765	138873.5627	152420.126	194930.4891	114622.8428	112961.3386	146403.5169	150357.6227	123044.9227	116234.1232	116317.883	193421.5928	133794.6912	139702.6008	132845.3571	165841.9539	139010.0624	111724.7522
PC 35:2; [M-Ac-H]-@6.74	132590.0024	140979.0292	134782.5395	140542.0503	168106.0853	122931.4418	160206.2386	121860.573	142883.5362	102121.1355	135225.0943	122379.6194	158468.5751	201556.6063	110088.1046	117090.7301	159562.7637	114782.6807	133103.6742	106872.0623	141255.879	152878.7587	117939.651	113727.3399	130761.6547	162178.1	112325.0863	66594.36474
PC 36:1; [M-Ac-H]-@7.55	1118857.368	1181088.136	1096990.453	1042109.475	1247714.475	1030646.395	1489644.413	900002.4973	1144642.754	954196.7652	1030730.072	900203.5733	1146683.985	1321081.916	938612.2226	902115.1044	1365428.268	1012262.142	1114951.923	807860.3915	1280602.925	1449890.207	961849.9217	1001331.366	987096.0218	1252344.261	837062.4031	850939.9069
PC 36:2; [M-Ac-H]-@7.02	1063552.838	1121823.464	1207385.472	1075855.992	1321140.13	946502.8697	1417694.903	1049578.591	1175134.538	904824.4144	1107219.868	946102.4893	1323379.837	1466947.011	902588.0193	1063431.775	1175825.543	979225.7831	1055804.01	884055.9828	1359432.941	1325482.564	916024.8038	949137.3222	988309.8788	1232548.098	809779.3061	810521.2114
PC 36:3; [M-Ac-H]-@6.60	360831.5859	425128.7056	343647.8796	367053.0541	440966.3429	362222.6489	451511.0493	425581.6685	441994.1079	264475.9847	403436.2454	333544.7479	393937.1092	502020.2879	316405.0766	359198.6939	400455.1849	347612.8146	357105.7567	361745.2143	449931.8487	339899.3857	279262.6471	308396.3941	316667.5645	350611.7402	281572.3714	297751.9571
PC 36:4; [M-Ac-H]-@6.30	280391.6104	310480.7982	289641.7528	271605.0382	353610.7949	272814.6149	399999.5646	314724.716	360124.3204	241898.6356	268940.8648	272802.5813	284610.6783	379197.676	293389.0765	244523.2285	339905.5869	268576.8094	308003.6001	262604.6142	338277.8794	337001.0879	293659.0256	248738.6201	247213.903	324899.6507	258463.6559	240496.3975
PC 36:5; [M-Ac-H]-@5.93	56689.14992	84339.21908	61533.32779	46686.59497	66216.8799	41520.45224	107325.0671	49824.2112	61658.40479	31759.91008	58041.44626	56417.60171	65245.6263	89291.12917	49747.32424	36612.33273	74543.65138	63315.7382	93142.70871	47047.28951	81613.32281	69027.79637	78808.79099	60313.47229	51615.79438	82640.22901	47334.17722	38927.1156
PC 37:1; [M-Ac-H]-@7.83	77533.50146	98600.39148	44577.4964	84372.90769	45684.23693	75901.63093	67385.48455	58557.62407	45069.58211	35914.30913	52126.39666	62633.39302	77216.22066	69395.38302	38655.20949	45146.98634	67123.78837	36830.61227	39229.46049	37372.05732	68879.04741	36920.15869	41683.90654	42796.24694	31366.74127	42137.48198	42362.13943	64419.14888
PC 37:2; [M-Ac-H]-@7.37	40099.64733	61881.04934	29077.20107	42181.89183	24412.55088	31915.53661	36503.51225	30201.07772	30520.19069	16033.06104	31149.00378	32327.80789	44698.92815	34557.15577	24404.38938	35713.27027	25640.82816	24486.76976	26350.80129	14623.97515	34900.04805	22350.26411	15467.11399	22390.9198	19750.89664	30693.36628	14488.98026	36940.42154
PC 37:4; [M-Ac-H]-@6.68	39077.75769	118412.4316	46284.7231	32799.406	42907.73927	48641.24941	50509.59439	45438.04652	41684.47116	26012.89819	45114.54704	37132.65232	46918.29426	64863.69701	35757.67616	50566.55563	46541.49776	37155.82081	51346.86528	51799.59787	84431.64542	49641.67324	46168.29332	36851.47861	31681.8639	40904.56291	47143.78832	34339.98601
PC 38:0; [M-Ac-H]-@8.18	30180.26195	31683.38843	21189.39556	40786.3153	18547.09491	42587.99856	37083.98339	22580.46737	17376.08032	30460.49402	48272.03896	32156.78304	40270.19018	43061.91732	36644.59668	26267.15888	28463.06777	31546.42374	35413.38917	27979.57208	25266.70391	57163.30058	18994.03044	45410.73179	30414.84029	38205.55894	58065.00355	37470.33791
PC 38:1; [M-Ac-H]-@7.67	72735.93242	38360.17035	54001.74632	49060.01145	77294.48762	22832.99539	110445.5133	46870.38056	90853.17007	46252.19899	45526.13806	17785.57343	64399.26087	131969.2145	46489.79671	11693.18462	31825.71511	47621.26277	18036.44475	35976.83308	20210.56788	115914.4602	54184.49071	48231.15611	45391.19686	88926.61392	38924.00573	27844.91633
PC 38:2; [M-Ac-H]-@7.73	40432.55651	33770.10037	56945.11655	30992.0595	14496.06957	35307.70088	25036.17773	31057.78608	27982.60987	42733.52999	35211.49062	37897.77203	32650.58952	65222.16589	28495.69674	54193.91787	61307.75987	31368.01343	59603.47922	40575.74105	34087.59349	32207.67551	41885.34685	57064.53655	27359.01653	18457.58222	41514.99328	22276.97631
PC 38:3; [M-Ac-H]-@7.35	162152.6506	227874.4095	168722.0273	255570.7163	112315.7554	204247.9534	133447.8451	197862.5666	150111.3422	66509.21367	105469.0147	287286.2003	141372.6684	124718.8223	94367.68793	95680.4123	189420.3677	179029.6881	190958.3827	130813.5405	187708.6162	114878.3062	71128.99977	97510.69231	83236.79325	100547.2388	70379.18907	145685.147
PC 38:4; [M-Ac-H]-@6.96	747405.5417	816657.3423	862899.894	766100.1024	761757.5159	579160.5643	855645.8342	708630.7833	786018.7041	666353.99	647390.9683	641387.7952	705699.72	836029.6047	691387.9948	664435.3976	946497.0429	559854.2518	808609.1942	521388.8335	868056.5569	860380.4703	668200.713	651411.5326	646898.7322	641015.8914	719677.4558	637957.7563
PC 38:5; [M-Ac-H]-@6.56	344093.3535	555115.8229	425969.254	282981.2983	417419.9337	411010.7407	438384.5166	387607.845	359712.2745	245438.586	402607.0049	354780.5867	458164.2055	477323.9905	292766.4009	313971.2361	456717.0449	314365.3581	491067.3373	314859.883	484232.6157	494091.3704	450842.2668	325715.4538	323150.9819	385544.6976	388394.7635	370686.447
PC 38:6; [M-Ac-H]-@6.21	165796.5605	191834.7621	176142.5603	121815.5939	145905.5937	103954.9789	180518.7093	142417.5019	120557.6284	128434.0129	152749.5775	115359.9517	154413.3567	160278.2489	126999.57	128786.7055	136258.1216	119187.8043	176322.028	121925.0646	157679.1167	173713.375	163115.6123	120492.9719	103211.3842	147669.0955	178988.7384	112726.25
PC 38:7; [M-Ac-H]-@5.60	27005.22437	35651.74256	42551.23021	37405.75198	46753.19259	27178.06115	47083.14528	19599.55445	42257.28795	19193.87263	36629.88994	22842.96476	47192.62295	31266.34384	15322.80557	18382.46243	20919.519	37787.45761	45489.52091	30856.17698	31770.82357	56044.76022	42752.3976	24256.54041	38253.06514	38909.90211	25179.00652	27931.77033
PC 39:5; [M-Ac-H]-@6.72	37592.33376	74928.50259	31574.71416	62489.12576	50449.68107	39882.90127	36875.36018	55165.70445	31367.99547	36595.08418	54230.44436	46429.28955	56081.14257	33115.18366	26279.88025	56235.22893	54010.47648	48740.73621	35910.92184	37264.56719	48062.74005	34968.5493	37041.32677	37575.38111	51347.37499	23664.08782	33394.57675	36801.92005
PC 40:5; [M-Ac-H]-@7.02	443124.9448	556247.8443	437506.4115	431042.9232	384507.7471	368911.151	479596.0815	385923.8412	455532.4891	328088.9557	376506.9998	417704.202	484231.6195	428018.6537	323900.7716	375103.5318	531375.7009	300064.9843	522994.3737	356861.1801	362916.359	549077.9896	412036.8256	288183.2819	374610.1018	353313.5276	490910.6634	366311.4797
PC 40:6; [M-Ac-H]-@6.82	266685.9572	248146.995	284878.0233	149667.4043	141274.6275	156183.4992	262825.9998	196580.4041	183744.7025	172304.3262	161897.288	193078.5113	167481.1909	220091.1627	190017.9956	193874.5349	200167.0192	144400.7882	227746.0501	187602.9512	182430.2884	275244.1647	231582.1491	128234.5063	167669.5803	159408.0893	337849.8484	172751.1492
PC 40:7; [M-Ac-H]-@6.37	46417.78953	31687.23588	55925.40437	19676.71469	24267.6847	23595.37809	55024.77311	44429.24989	18295.15143	22684.53181	9977.915024	22710.47936	43280.48196	27113.71658	16007.76134	19249.38358	30826.06479	14418.46729	16418.91343	13289.29099	33275.04201	35478.46789	21146.45428	24109.43482	36934.69524	46469.85509	33170.25752	15859.16242
PC 41:6; [M-Ac-H]-@7.09	3711.824946	17041.99966	13974.04663	5101.620837	4284.031012	8903.010675	8402.936456	14146.3122	5385.401827	9398.725261	8338.604225	9522.853396	8334.417078	14665.9863	6504.702966	3923.82536	7380.767318	8116.969555	11040.07312	4070.82482	7227.291385	5896.856386	8950.07433	6049.476369	7077.631801	9414.774981	17517.1912	5862.139811
PE 32:0; [M-H]-@6.80	12932.18713	14098.36211	18774.06507	25445.93969	21370.83105	8719.490163	13211.58379	9979.662197	27535.331	13770.21254	8634.053095	18446.98837	10532.36496	15397.5444	8156.336232	20953.75169	10158.79342	9742.837474	21814.57766	8357.151389	7792.646962	13385.464	14046.95266	13019.3513	28045.49972	29381.7061	12016.67952	7851.088525
PE 32:1; [M-H]-@6.27	2029.53038	11642.34693	2643.974202	1798.405848	2841.732113	7719.577421	4449.268697	1249.948686	8043.091915	7253.597601	1680.074393	2127.734916	4786.041574	2195.992253	533.3345229	1688.934083	2408.872755	2251.248345	10020.38232	819.2816194	3616.4525	4750.416395	3894.970942	954.8073346	1556.3649	257.0860716	5492.297513	1420.821951
PE 33:1; [M-H]-@6.63	14188.04863	13079.23753	7092.954313	10684.33161	13485.451	10395.58911	16523.77926	7776.259138	10775.36068	5252.765944	4627.333311	7973.03155	20264.01166	18474.79002	8043.554057	11144.27261	12858.17319	6334.909716	9803.825715	4823.027143	7103.947336	13278.35984	6899.174314	9074.653322	14918.50558	14844.61764	4998.069674	6330.477053
PE 34:1; [M-H]-@6.90	59303.57803	77783.0876	57546.54038	42944.97616	45595.45913	92255.24939	69140.70603	62425.05441	51778.02414	52242.68408	92197.21151	57178.7489	67828.73422	88414.03097	57452.72	77060.57384	69534.93533	67707.40998	121907.0862	49501.97521	80377.41316	69913.7273	57879.87586	69630.73652	44569.99672	97555.87754	42838.53487	67938.79981
PE 34:2; [M-H]-@6.49	87675.87832	89063.66458	101614.2897	74795.32575	97911.10733	86023.19916	112079.888	90772.66329	92909.7625	43432.15818	46742.47747	59935.96043	96626.60834	90469.02783	40048.11724	95985.73657	77083.36986	53188.7325	131865.2148	34019.85011	83959.63883	113606.5361	59560.05488	83408.33948	88359.32322	88167.25167	69656.98605	39929.79127
PE 34:3; [M-H]-@6.06	14938.98335	34088.02517	16067.41203	27740.49977	15856.64356	22993.90923	34278.37883	20364.4678	20389.94643	11029.3109	19313.02541	16927.13273	25834.31547	18614.36751	14420.23973	27297.83265	27636.1976	12559.89199	16725.43167	9096.199178	29732.31887	13332.36514	11022.66532	13788.14845	16123.22863	20536.18352	9816.23198	23401.65345
PE 35:0; [M-H]-@7.66	13381.87931	20942.73525	17562.28052	17002.25807	12074.98936	12677.59174	11234.19741	18617.18676	11562.61504	10429.68512	14731.0189	9434.648791	9857.048528	9259.859005	8303.949549	17709.79274	14317.92391	15910.82853	12666.10831	12953.24911	8726.053238	10364.76823	11183.04565	6452.286755	12290.15248	7214.738752	12499.08862	13300.62087
PE 35:1; [M-H]-@6.61	32014.12351	47268.30057	97008.7884	60478.7368	87997.96513	29017.67594	60354.86522	45187.51672	43768.11181	36615.45125	23366.60425	48033.37021	108712.6573	49152.3793	28229.24886	42661.93996	55195.46736	26332.98421	44725.27641	21423.15591	32742.05881	54035.47572	43825.58014	66431.06116	47884.41919	46453.90236	37756.85774	19857.6159
PE 35:2; [M-H]-@6.73	34324.82174	49084.68936	26553.24946	34646.6362	25933.29239	42431.11417	32444.47369	31835.35742	37648.7808	18477.75725	44958.82496	27993.59954	43129.3771	42669.76011	21803.12384	33631.7686	37046.76658	30900.58478	56669.43916	29805.24755	32321.59627	31192.90821	33519.4125	26445.94946	27948.93087	29609.87918	26017.62312	32870.38413
PE 35:4; [M-H]-@6.11	10133.40839	13938.39045	7905.142157	2014.693634	6259.409516	11453.08309	11145.07277	11369.85252	5233.772812	4021.669299	10220.57641	9983.420005	11998.21799	6093.222904	9912.723221	8480.213564	11767.74403	5940.396147	12369.80961	6762.096848	8430.560557	9681.489327	13408.46577	6647.991837	4783.41656	6155.592187	7407.230685	5696.484279
PE 36:0; [M-H]-@7.93	108291.3429	122194.1057	83160.24628	119898.7555	108574.3175	109694.658	88023.27399	112660.5636	118085.2989	112914.486	120832.6235	130207.6171	93366.71366	100439.4906	102701.6594	115049.9057	123405.9748	92542.70384	127863.6788	102553.1108	124213.2527	103902.1913	104820.8717	95742.9451	84707.47682	100330.8013	96095.19892	109007.984
PE 36:1; [M-H]-@7.51	202353.6693	231775.308	133645.9099	162153.5629	89520.55751	237567.4945	201786.7905	155311.0619	128747.616	131230.986	167416.9285	177989.5109	121829.8024	148665.8137	129114.859	159062.6814	177023.6366	135084.3625	181997.4294	91392.90324	225725.7915	95667.78772	104090.9863	144118.5932	75441.19541	140197.9875	101529.4808	166671.5519
PE 36:3; [M-H]-@6.60	154739.3405	203104.8958	103459.681	129316.9047	77183.73587	155106.4747	177721.0744	173445.638	105243.6462	71759.09683	98625.40428	157004.9363	91323.92484	111124.8641	106858.2874	125478.7051	126677.5654	120893.9308	126773.4743	87437.47183	188247.3635	75067.09206	60025.30062	131855.7681	78302.49091	114944.1116	64990.64302	117687.4358
PE 36:4; [M-H]-@6.39	49181.57426	101979.8687	27753.23292	32050.24535	30680.22694	63799.34705	65046.90553	78855.66624	59060.64863	22375.75085	67851.83667	56603.85199	30298.27525	57743.37407	33595.10749	53887.23385	81918.08597	58565.27722	111541.0141	31240.3145	57997.96911	59427.56193	37210.10095	78921.64613	27551.56824	37706.30986	39069.93955	29722.76621
PE 36:5; [M-H]-@5.96	21216.81352	33951.25098	6167.956386	6864.780115	6372.958636	13148.99165	36567.43406	9352.312789	9064.468402	13568.1838	10445.583	8906.488986	8288.634045	30251.29138	10861.09054	10705.32183	19443.07384	15938.90272	25148.53041	5292.38487	17342.37585	13074.87867	10370.7085	14793.82508	5560.470641	15438.63788	11925.99761	6670.571531
PE 37:4; [M-H]-@6.71	35626.14331	61853.33254	42842.0683	22511.6855	22822.29766	41067.07878	24710.48089	30147.68487	33704.76566	15055.29327	29999.88321	45566.12795	25335.09367	28890.42183	45733.26731	39841.07929	50980.13389	60481.38376	62800.63148	24764.01039	44854.60725	33493.89278	34133.85511	40712.16826	29106.23332	46201.97952	38559.50659	17981.80696
PE 38:1; [M-H]-@7.53	1285773.678	1329284.376	817588.7683	1301001.174	884123.7313	1003948.378	1202638.214	982851.2077	964911.0475	777039.63	811082.4757	1111632.093	1008465.574	923709.1948	713741.1864	900223.2122	1298371.34	722236.7762	762851.6336	687625.2835	1341012.714	762729.6002	607244.8818	734738.8498	608297.2878	1014436.861	713924.4372	975702.2967
PE 38:3; [M-H]-@6.70	389037.1942	453828.0382	273881.7314	472728.8422	319470.7508	313787.5593	436605.8066	378082.8729	351639.0553	248923.8996	233963.288	384602.3116	261620.8758	285026.3207	268925.7048	242112.0638	356317.092	230479.0562	186630.3559	230776.9096	435936.7942	170041.5701	161892.9081	215561.5634	205020.6913	283520.2718	218718.3447	239296.5898
PE 38:4; [M-H]-@7.05	252457.1579	423408.6816	319303.6034	276036.5184	234531.2603	426882.7797	325240.6181	259028.1457	231554.523	266346.153	365102.7952	281349.4437	243780.6381	314022.7776	294465.0233	360885.8579	361052.8485	384165.1227	685289.3355	240196.4597	321245.0378	376809.2781	262947.5438	444951.6977	222756.0425	302397.9799	230426.3929	312715.1315
PE 38:5; [M-H]-@6.59	185361.3437	328011.1455	137683.8335	192255.1743	104468.4464	242274.8747	240241.2447	164216.1037	111313.6619	109495.6731	161999.972	239819.1713	129309.6966	147659.6914	138893.6988	164985.0894	198047.5718	155012.2085	246205.0326	123455.2888	230157.6305	107408.5186	95951.66391	172905.8271	89032.55398	130612.505	114605.8135	191409.5147
PE 38:6; [M-H]-@6.18	34124.47842	72549.1185	53590.15003	20487.00076	43796.72835	55156.92421	68420.37304	35554.25097	41700.40204	38087.99401	66110.14718	34058.48328	39833.69707	63242.96751	33573.57822	57936.17629	51061.42379	20393.01104	78226.05929	34388.6943	64252.3011	45099.30508	34748.12523	53557.8	29027.1393	35829.68914	61281.54102	39009.98534
PE 40:2; [M-H]-@7.53	39702.96369	61481.84591	43302.04704	28973.78428	26621.47796	27653.83034	28828.69653	27358.17553	23869.46576	28387.22214	50890.43082	44419.95335	31104.67817	52845.43399	18009.69746	22362.7087	40926.92716	26174.5424	56193.57857	19964.84959	24591.40498	42251.20657	40829.86163	52079.05197	35317.78577	31184.2998	27547.16717	30815.83841
PE 40:5; [M-H]-@7.12	96961.39996	155909.2609	85840.87624	112665.8194	54044.48734	136503.6821	98159.08372	11765.50465	56983.61321	69797.88389	79209.48207	115218.2951	67591.37541	69588.20501	78423.33622	109516.2608	116408.1062	80656.22362	123898.6246	80435.37023	96756.77705	61099.31573	62218.97387	94569.76903	67291.6147	73378.36142	57955.73432	135977.62
PE 40:6; [M-H]-@6.95	71415.78685	119768.0371	90585.62158	57167.92437	30215.80214	110417.3081	72808.62937	89745.29564	51480.93019	80883.64334	98611.50164	55320.07721	36129.26727	102403.0513	71833.63888	121858.5381	67227.10108	75862.06125	160441.0511	74501.3767	91229.84142	78633.58541	95030.66861	87809.60324	43007.24227	61771.46622	104314.1062	90759.57553
PE 40:7; [M-H]-@6.47	9413.343496	29073.82593	14040.84916	11807.96178	10977.58827	14033.82572	17113.16511	18361.40018	12447.37514	8600.67658	8772.449613	10900.23284	8600.578375	11590.76737	9129.646584	16742.91583	16785.12787	8454.583156	17207.01371	15743.50224	17917.85565	13160.87935	11888.71308	13369.06193	9247.594856	7901.571741	19991.34969	18621.46439
PE 40:8; [M-H]-@5.98	5669.055842	6387.517584	4064.242317	12026.17537	3930.787096	8417.722708	8992.172869	4756.287798	2856.354298	1518.240559	1523.834318	3096.653575	4180.818054	6402.598036	1369.017035	4887.179327	9527.18552	3402.055019	1653.846126	1585.056091	8918.048254	1788.767344	2522.852837	3617.347325	1362.060865	4674.46978	2945.651411	7253.357259
PG 33:0; [M-H]-@6.07	31080.70125	29788.93064	19383.943	31407.8506	21701.16211	26507.70623	25252.41828	30424.35755	24558.77498	21381.97522	16481.04369	25104.51908	22366.53251	15366.2964	47111.76046	21035.04846	25544.34202	23040.53563	23054.05899	24138.84575	29324.0888	18018.63921	15422.83933	28025.73619	19953.61219	26765.77924	18735.41326	53508.18516
PG 34:2; [M-H]-@5.34	2463.759829	374.7103949	1090.227521	215.5731918	530.9149986	447.116596	649.9897786	665.5245954	522.6969174	384.3627346	319.2910242	732.153657	2201.983578	1351.575035	576.21169	1299.465499	1024.614878	644.6853536	1922.991376	499.1221555	571.6819919	881.7291132	1535.806635	632.9718854	268.9891494	295.7251268	837.0848263	466.857623
PG 35:0; [M-H]-@6.61	13781.86465	11829.17399	15511.33388	10211.94353	15580.02204	14356.61736	31975.75622	17684.12949	13753.58019	15022.15641	29403.7614	23761.20144	14189.28791	11669.43826	7196.99409	16793.43426	15633.29475	33127.05742	16512.81675	16302.93829	13940.5163	11751.50816	18839.43821	12121.39258	22190.90311	13228.11848	16654.09542	36280.13895
PG 36:0; [M-H]-@6.89	100964.5829	85708.3325	107698.162	99376.94002	116973.4942	145139.4631	102892.5209	111041.7794	110668.5678	114278.876	114279.4759	123710.0507	97243.36605	111112.7818	117106.3927	101511.0178	125390.4088	147364.9938	114653.6682	118215.7492	102805.5213	100462.6393	114197.5729	110492.2543	107048.0769	94992.47579	99429.71049	130659.8912
PG 36:2; [M-H]-@6.09	9253.395133	5447.084932	7331.822812	2288.620706	7994.999037	4152.515941	5552.659382	7377.055329	13816.67836	3401.34804	11029.61345	3521.772909	7806.101477	9735.728637	4680.266366	10956.74991	6505.207312	5864.086181	9062.58122	6447.989929	6680.025914	8987.896497	5244.231706	6067.691211	8885.243924	6829.431078	1617.731405	2971.498023
PG 36:4; [M-H]-@5.43	714.961002	1411.700069	732.2123478	1806.906157	918.631089	337.0596399	568.3944472	594.4965021	926.5697651	1563.500359	1308.355382	1711.986612	1546.514041	422.9394133	970.5682573	2586.82651	1657.013167	2453.886174	405.453741	255.21297	169.6663131	494.7043763	147.2435471	126.3863846	534.5212767	2277.868616	265.2344619	259.0168827
PG 38:4; [M-H]-@6.06	3390.506761	6586.931758	3353.907691	3155.314578	4078.541549	1358.750343	2689.261859	2784.349596	2997.385055	2133.584339	1641.801959	1517.886778	3897.760469	2252.317323	3279.466543	5998.007802	4627.233215	1236.043321	2845.147502	876.4721439	4215.911621	3454.082077	3219.016998	7369.698403	3134.138441	3118.83063	2522.36935	4588.421279
PI 34:1; [M-H]-@5.70	10264.19597	13121.72275	18857.88814	9391.4364	17763.1345	9426.094201	20451.11135	8198.923358	24060.66576	13963.1337	12520.80764	10673.69738	14771.44685	21965.33509	6729.280707	9152.11399	12781.58909	10115.18638	21568.93525	11733.86334	13470.62375	42956.66893	11624.55052	16542.19933	13392.57444	15396.14521	11363.50166	12015.89032
PI 34:2; [M-H]-@5.27	4242.652101	6819.073107	5904.098806	5251.605619	9130.59949	3503.51416	5071.515239	4616.188832	9878.818216	4609.909752	7197.000943	2934.942453	12131.7278	9245.707807	2183.668848	9746.091884	2907.123977	5901.537156	11390.89427	5055.382619	6102.575632	9452.973663	6998.144387	7381.149894	1841.395569	8721.971349	3654.869947	3374.492823
PI 35:1; [M-H]-@5.91	9298.46109	22011.78174	15180.56806	9574.914423	17508.96217	17366.49982	13094.2647	9753.912009	14487.54384	11618.80625	17614.92401	11096.61594	17667.58842	14588.09637	9970.294501	10273.70774	11702.86926	15129.6147	12769.33884	9735.940252	11452.61062	17749.96253	15825.33834	8129.615626	9629.859457	8532.259463	11966.04373	14984.97796
PI 36:1; [M-H]-@6.24	34340.55753	59894.90395	35803.35874	36365.53478	46119.75226	48791.32052	46129.61678	41081.53357	38160.9046	25771.35437	41107.54385	34959.06799	42022.10256	38888.70184	35686.40158	44898.58653	43297.55867	52518.97779	47519.12266	40368.59001	75610.8699	49110.15919	43614.42658	34273.8252	23026.81989	51087.23031	32190.52665	48430.51474
PI 36:2; [M-H]-@5.89	43286.89751	56903.59859	74847.65459	58244.23034	65879.3751	58537.49165	63207.53592	46555.96538	72911.23651	42700.73845	66594.90961	43020.15967	73096.1896	72672.04694	51082.41804	42925.97855	42158.06074	61067.06445	90069.95885	45103.5316	53671.5314	112253.3147	76418.31955	55728.35752	51837.92498	73152.94971	56834.81773	53746.92882
PI 36:3; [M-H]-@5.39	5716.279293	17646.69988	13177.59363	9779.676814	17528.38963	14457.17729	17067.14865	8913.388756	18001.24231	4070.059044	26362.65329	6037.872921	25411.81242	20619.08609	9270.678966	9350.537708	17955.51555	17061.28806	20634.19487	9242.114823	11372.00451	30297.96153	15646.74887	13903.17344	12391.47451	12902.56489	9222.181633	11022.64613
PI 36:4; [M-H]-@5.24	7136.751017	7928.128453	7761.34934	6471.532112	11530.30382	6620.149531	9444.488761	5008.935155	16572.83585	4945.323999	14183.66032	6979.363756	18528.77964	12112.1137	6886.763197	8374.99587	8157.293132	7087.129313	14462.27009	6993.420247	10836.57041	18972.95889	5433.566085	12262.53747	10634.8365	7174.081941	5250.450621	8702.576537
PI 38:3; [M-H]-@6.09	56718.06284	90963.24551	93936.60831	76637.27624	83045.67386	68354.26036	88622.74984	68291.10352	83963.46919	37446.12276	70095.07621	59457.64182	97921.09915	75305.18227	46997.96412	38992.99749	57571.98759	61660.73462	93008.14969	47114.39547	66354.83463	102270.027	78583.25879	73973.03397	54547.03545	74938.79307	59866.13178	63864.76491
PI 38:4; [M-H]-@5.90	200061.3252	258946.8611	304549.937	211074.6657	274422.4746	212872.2887	282466.5572	201364.7907	277454.0748	187982.5457	248113.0199	197781.8684	286911.8648	330227.2568	237492.1092	125015.1261	222060.0896	265136.0645	318969.9676	203237.7872	267474.5719	445616.0922	312975.5359	328168.9949	228951.7626	297954.0303	262604.2219	175785.1163
PI 38:5; [M-H]-@5.40	26130.54772	44884.50684	37666.32349	26354.04831	42183.67432	18434.11388	43482.34897	25058.18024	32434.46527	24586.36	40917.53771	25443.55537	49862.58508	58199.65531	25932.92771	24082.45292	33882.4882	22339.20292	47593.43208	17557.0434	30395.73459	71075.66437	35977.02391	32100.52611	23467.64874	33547.84463	27475.83475	20862.81625
PI 40:4; [M-H]-@6.31	6366.450222	19889.2257	47477.65981	12189.36799	33475.89394	19380.124	7123.944185	14662.61088	336.578081	8096.638905	4890.095115	5495.082356	16700.50228	5677.59941	4331.972894	2248.219483	10442.53518	15167.03518	10371.5427	3871.481927	3044.694068	13645.25168	8277.644377	22762.67623	21289.15203	8295.101366	6132.107055	3881.040472
PI 40:5; [M-H]-@5.95	32079.99341	42940.52604	50202.31351	24755.56505	39330.423	31969.0722	38594.04722	28509.86525	43492.28177	18766.10324	30029.28461	30875.4541	47742.35109	48029.56139	28577.2221	22352.31376	34919.62681	38552.36931	48541.02782	32438.1969	31806.98509	65562.20745	46739.96517	38557.73297	29787.18207	50329.81688	36776.10438	29276.7918
PI 40:6; [M-H]-@5.80	7163.091496	16002.87733	8287.114537	4053.955747	3564.248959	6785.950199	5150.901424	6921.077027	11484.5081	4797.66976	8823.12473	7361.654852	10785.60596	8035.389721	4671.017503	2252.313204	5804.116026	5889.755678	8158.898738	4191.930146	5242.983157	9576.06612	8747.54197	6081.214213	8456.014254	6057.847967	17867.76901	7202.471491
lysoPE 16:0; [M-H]-@1.72	69844.80841	71921.21309	70998.06721	48134.71256	48963.49374	56186.88598	77135.84612	58620.56637	28714.53488	30722.54593	19647.10174	35107.24923	44407.79314	50504.39564	31154.43694	43565.75958	48482.94413	62112.77195	72825.79763	19362.98851	36841.82875	60664.90181	24144.75907	77410.25331	50827.08271	28929.17542	44845.9823	19525.75008
lysoPE 18:0; [M-H]-@2.48	131881.2283	147118.8367	98608.82793	93328.89645	61370.73987	179849.9075	117845.4668	79989.58641	34424.19542	36071.7467	56658.9878	85069.02492	47815.56231	66703.26461	67369.68468	113321.8299	109808.0813	189850.0954	168778.5149	50513.8517	60569.85577	86752.49035	81581.76906	161152.8791	70229.72918	45167.41868	81125.90055	81559.41659
lysoPE 18:1; [M-H]-@1.83	114888.7379	175850.4204	60342.60541	76253.36408	99752.2907	144479.8393	149352.463	84567.82065	59884.53866	30604.41148	80115.87711	75171.84887	55042.76203	89158.05117	78988.78589	100207.6115	110128.6227	162899.4994	136938.0889	63452.08221	111580.0222	108947.7678	42250.29518	131768.4887	52623.0947	44903.89053	90435.6027	37532.9366
lysoPE 18:2; [M-H]-@1.41	42580.01539	114354.5132	37512.23503	29040.38363	38810.37196	73876.58711	66569.69619	58172.03577	26422.18913	6763.166493	32285.82577	26977.98258	38518.24662	42025.6567	41960.09243	60229.78276	46177.84512	65823.01823	67873.86947	23469.45994	41765.66246	44016.36714	22812.05644	61005.28525	19787.0363	19540.65689	40075.53961	18157.70109
lysoPE 20:2; [M-H]-@2.09	2002.704246	3330.531157	3274.64745	1590.734208	786.7370785	1379.776055	4537.94986	2591.689225	711.3148988	1736.08785	1609.690654	2439.8626	1795.850782	1748.8869	3342.993722	2227.316208	109.5756754	703.5830342	758.0097574	2142.690507	1061.81446	1757.320529	1250.454179	450.1314595	1320.036603	1574.548764	1903.208339	3226.045966
lysoPE 20:3; [M-H]-@1.63	2469.310484	12994.02363	18746.15551	7053.944795	27634.06541	7400.370358	4495.336759	15286.20771	7748.839836	10953.57574	2783.32974	1280.351157	6149.587221	19955.93801	4756.307657	7620.211111	6755.547525	8261.994923	8890.155641	1690.88432	7857.644769	28309.95684	13057.54539	16491.23173	1907.16228	5737.5837	9438.799559	1885.850978
lysoPE 20:4; [M-H]-@1.39	41774.35867	88172.62154	41942.20932	42907.16971	63739.31636	54022.68291	66175.10272	38872.37333	37077.06959	14746.31599	36496.4063	34775.27139	34542.45649	41501.49668	36607.00746	58757.09411	46240.89789	68799.7361	91423.5426	25136.74683	41230.01018	60550.41582	24669.53898	64742.4733	20769.94952	9963.746063	39427.43717	24332.73435
lysoPE 22:4; [M-H]-@1.93	3555.747942	5159.377554	4476.004348	2298.421576	5927.425255	7292.184435	4964.551268	4407.759854	4293.087286	1237.429254	3621.907899	2555.016902	9009.108225	953.2890879	3333.13948	10738.07937	6032.434394	11034.37964	6452.241977	1684.304415	8616.951883	5085.689374	2649.336857	13701.44082	4885.827229	3676.939363	3963.355966	2203.784201
lysoPE 22:5; [M-H]-@1.53	27491.64784	59641.74123	15313.3885	38586.8835	16320.80879	29602.98415	41768.41458	27763.18485	11222.93263	813.8773248	9603.230306	14869.22924	15740.07636	12595.97519	19034.18382	34343.46848	35639.59882	23264.93164	34653.28073	10347.80523	21606.96274	21867.41206	18630.73917	23469.98904	7685.772597	6464.041644	14491.8803	14470.35047
plasmenyl-PE 32:0; [M-H]-@7.15	8365.645355	18802.89626	5370.782453	9697.984089	12769.36517	9244.78537	14741.60051	18774.17582	6488.327762	6760.437318	13013.42631	6872.367167	12437.50267	15129.87226	11261.74952	4414.088035	15806.97891	18252.06571	12235.53109	7530.402601	8784.904117	19994.42322	4454.167328	14831.47505	5295.818835	5399.419868	9657.792664	2897.924261
plasmenyl-PE 32:1; [M-H]-@6.64	13780.15353	23271.03239	11238.9741	19865.1428	21495.07172	15444.00999	14874.40109	11763.47493	20798.18179	2706.543163	15997.49539	11868.81549	23920.37064	21071.92466	8316.045879	13661.29851	18574.01078	20856.87201	31716.66172	15524.74933	18261.08301	16236.27245	15122.67652	15101.32751	10766.11402	13629.47547	12144.9067	10903.07954
plasmenyl-PE 34:0; [M-H]-@7.22	90029.98914	64632.24823	43079.19439	63249.73622	29481.09354	82365.68632	111995.8127	80955.02992	85805.46641	50709.50814	49470.23471	53405.35825	55139.47905	87262.19875	94342.76532	61739.3799	52295.96452	83615.39489	58994.7976	55680.46031	98697.1638	56228.17082	22576.99084	80235.46251	48435.66638	63294.61579	41686.38401	56974.03637
plasmenyl-PE 34:1; [M-H]-@7.24	35531.72001	63849.93796	30335.58033	45169.77789	39224.75507	54153.18814	51305.84907	38387.879	66406.99936	40066.93839	45424.57342	27928.25627	56610.30092	80755.55178	41690.33047	36034.2487	33098.49908	47085.30735	54197.95676	47664.47891	68358.31754	74533.7534	56509.20151	55436.42495	27626.25045	48381.79954	34494.20541	41430.92576
plasmenyl-PE 34:2; [M-H]-@6.79	37723.97726	59490.72699	39654.15951	41243.52311	38448.37502	53068.27187	52854.55759	24655.978	75579.22158	29615.10714	50745.66592	24846.8199	55003.40022	70227.58652	34402.26507	40557.00422	23365.49231	57899.36086	48804.94931	30927.89944	48500.83589	51992.9339	48169.13186	42573.83253	33691.88195	34348.61614	22589.47131	30746.79464
plasmenyl-PE 34:3; [M-H]-@6.54	1536.659405	8239.456403	2786.720726	2628.385311	6195.378104	4553.194207	2788.085956	6531.054961	4250.89147	3469.837924	6137.999204	6496.409988	9194.112995	7196.793566	2107.51739	9983.36058	10825.02938	12114.48885	8298.535853	2931.49801	3969.859342	7349.200095	6480.064391	3930.680635	5943.277599	4492.939914	4215.583403	2372.407598
plasmenyl-PE 36:0; [M-H]-@7.32	40202.01617	46863.75284	36356.08137	52733.79518	53467.93815	53910.73226	52271.53608	63952.3983	46969.97158	51469.5839	51988.87384	42633.27271	45446.1722	63692.86826	37570.46516	43357.10105	58997.43901	72375.6511	58936.51894	30160.03455	50133.32547	75164.49799	44094.75335	50469.2248	34545.32927	46788.84775	39580.36556	32580.63721
plasmenyl-PE 36:1; [M-H]-@7.76	52894.44294	59836.38928	40632.07453	54556.99282	46105.40889	65738.25944	67812.09505	39165.17497	87635.84716	41139.7943	73486.21856	58557.59235	56132.75597	90099.37952	38599.53506	52482.19261	71917.91573	53190.71166	61364.6128	61110.21507	52298.89196	80295.4211	54122.38982	42727.18443	34972.41665	43811.52028	34418.29695	35763.7305
plasmenyl-PE 36:4; [M-H]-@6.71	199061.0562	293124.3304	133941.8613	213773.086	116531.5676	162734.8462	204602.2584	178079.4599	314111.6954	85566.75269	155631.211	148628.478	167975.9638	236493.974	164199.8785	124021.5261	157535.7181	152269.4546	196721.3178	110924.2208	269302.8603	123961.6353	135137.5247	162287.2987	84811.4832	103921.3259	111476.8293	124457.5835
plasmenyl-PE 36:5; [M-H]-@6.37	32387.20781	59488.86165	41741.99457	28469.67431	56345.74359	18285.16736	57274.96703	25067.18477	44346.87237	23537.84522	15902.63525	15043.29607	58755.06498	41856.67161	23888.20774	17908.21372	32350.53121	25496.52762	38777.89703	14856.38861	18865.78262	53285.12129	38627.25837	28313.34875	33539.87095	30668.5798	34594.19191	8937.243
plasmenyl-PE 38:1; [M-H]-@8.28	1008502.838	10133.32607	1168346.11	1316474.403	3141.011932	816382.7538	1010723.073	912597.7111	996903.7046	1948.628912	1120847.903	1262011.793	985212.0073	6485.731521	12274.42432	3200.120365	893107.4374	854187.2703	3460.012861	1088945.843	1013814.358	1046148.746	988581.6858	4045.749448	989018.8299	1202755.058	717474.0177	968081.6171
plasmenyl-PE 38:2; [M-H]-@7.35	52830.3711	63220.00533	62106.39173	68953.12973	39378.25176	79873.68392	67032.23716	75779.14373	72130.44709	48830.22419	73622.13464	51876.12155	67629.02008	79611.75053	43115.20634	73906.46197	71978.40578	68718.43704	81204.44931	53967.26026	63788.87202	69769.58789	46518.99887	41542.52806	43295.0233	25578.31792	72017.34823	66828.05134
plasmenyl-PE 38:3; [M-H]-@7.59	93543.91756	24294.18009	46817.4115	58742.36076	50586.9308	67521.19071	59090.91082	94261.27533	101235.7793	30672.74534	7151.057487	28153.22439	134374.7382	30543.79376	58074.92735	103125.0789	21873.85066	48134.61385	69022.54792	20827.5488	39082.63341	73284.60917	62360.60425	108070.9444	45098.2406	79832.33686	77051.73646	47625.99631
plasmenyl-PE 38:4; [M-H]-@6.96	141424.7684	173031.255	177638.9346	126977.7431	91712.16724	135163.972	166582.251	152231.1459	165071.4287	107946.9329	127566.3831	110359.0628	135189.2314	67032.68506	97616.68643	108095.9191	95816.62028	115666.1755	140950.5863	64323.09068	162989.4045	78004.51608	90376.16077	60612.82981	55064.08157	61266.74757	94437.87813	109451.5703
plasmenyl-PE 38:5; [M-H]-@6.82	199360.7395	258507.1117	188860.6769	199800.4746	203797.7869	227522.183	209884.2795	213942.7822	330972.1996	152530.8401	227236.8231	134982.265	223932.5188	285363.8679	159708.0333	167122.3667	195992.97	202674.0976	263716.0315	160049.4396	224081.6777	228082.3934	248456.5137	192485.6163	112136.2232	155718.1636	174618.4938	142305.5827
plasmenyl-PE 38:6; [M-H]-@6.61	110764.6784	125615.4392	58324.58402	89358.00367	45035.97496	76586.47418	114985.9632	91333.8989	93912.12884	52488.36365	76081.11417	77120.47965	74968.43713	66922.55634	53641.9574	53285.04058	66562.19317	65314.27412	65045.3827	58338.8394	90460.44016	55385.10758	79005.23053	50001.72504	33350.66498	54304.13502	64036.15357	54618.07132
plasmenyl-PE 40:4; [M-H]-@7.57	69908.1239	102849.9562	62170.64992	59281.12308	80931.28991	75848.54194	76551.10559	100128.1252	121724.5453	55461.14746	84755.39016	48050.48995	104576.4349	78566.7546	51272.77918	54924.024	68617.76415	78162.86933	101306.4951	61214.99551	83326.50617	70639.77589	62661.69603	77448.0612	26478.38045	57601.29722	67971.21752	37564.52387
plasmenyl-PE 40:5; [M-H]-@7.41	52643.14875	55115.67689	39419.40241	79230.36012	41711.69337	62009.5795	66908.97965	39445.00291	79300.44166	39337.16322	47549.45452	16064.48599	73382.65848	47116.03229	43761.16742	36959.31381	53722.95888	57143.44783	48624.538	41051.1335	72138.52733	65768.73458	24797.63653	40603.72897	26352.0812	54046.43421	41706.45222	82142.35333
plasmenyl-PE 40:6; [M-H]-@7.25	34016.1076	35473.24837	47205.66454	85589.18294	147354.3776	27136.82254	42399.57641	49371.54315	64805.40246	76688.60806	19618.14401	15765.98536	69905.24137	56026.30459	34667.10345	73130.2696	26935.95136	24621.61543	79253.45036	33994.29704	34777.4845	71324.88174	52706.33188	57393.51128	70043.22347	61506.21399	44287.2582	17440.25739
plasmenyl-PE 42:5; [M-H]-@7.94	1095211.792	932312.6492	1115093.095	6301.400465	3669.432291	1013033.326	2816.834077	1024877.263	8300.969925	11405.39939	8697.949786	1462953.943	1066992.325	1012862.932	1045664.134	1102356.364	683.3502185	939618.6041	1255537.114	10406.59814	1167522.287	1083963.411	926699.5018	6623.493184	994566.4078	4273.647756	829560.463	1095772.704
plasmenyl-PE 42:6; [M-H]-@7.82	2804.174608	7102.151249	9375.518204	902.1001444	11355.12164	2444.506444	11315.25746	1706.04348	3729.891246	4495.37898	911.8854994	2350.885071	3035.332097	4973.204352	1558.773367	2911.549325	8305.280995	8653.203657	12652.15795	9151.902972	9004.431291	4685.362676	1231.856105	10629.56609	359.7984774	10791.94262	3897.56622	3859.977166
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
CL 72:3; [M-2H](2-)@6.91		6.91					CL(72:3)	LipidMaps Bulk ID
CL 76:5; [M-2H](2-)@7.09		7.09					CL(76:5)	LipidMaps Bulk ID
CerP 32:1; [M-H]-@5.21		5.21					CerP 32:1	LipidBLAST
CerP 34:1; [M-H]-@5.95		5.95					CerP 34:1	LipidBLAST
CerP 34:2; [M-H]-@5.45		5.45					CerP 34:2	LipidBLAST
CerP 35:1; [M-H]-@6.29		6.29					CerP 35:1	LipidBLAST
CerP 41:1; [M-H]-@8.23		8.23					CerP 41:1	LipidBLAST
FFA(16:0)							FA(16:0)	LipidMaps Bulk ID
FFA(18:0)				5281			LMFA01010018	LipidMaps
FFA(18:1)							FA(18:1)	LipidMaps Bulk ID
FFA(18:2)							FA(18:2)	LipidMaps Bulk ID
FFA(20:0)				10467			LMFA01010020	LipidMaps
FFA(20:1)							FA(20:1)	LipidMaps Bulk ID
FFA(20:2)							FA(20:2)	LipidMaps Bulk ID
FFA(20:4) Arachidonic acid							FA(20:4)	LipidMaps Bulk ID
FFA(22:0)				8215			LMFA01010022	LipidMaps
FFA(22:1)							FA(22:1)	LipidMaps Bulk ID
FFA(22:2)							FA(22:2)	LipidMaps Bulk ID
FFA(22:3)							FA(22:3)	LipidMaps Bulk ID
FFA(24:0)				11197			LMFA01010024	LipidMaps
FFA(24:1)							FA(24:1)	LipidMaps Bulk ID
FFA(24:2)							FA(24:2)	LipidMaps Bulk ID
FFA(24:3)				52921854			LMFA01030902	LipidMaps
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45		8.45		5283568
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46		8.46		5283567
N-(dodecanoyl)-sphing-4-enine; [M-H]-@5.51		5.51		5283562
N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.96		7.96		5283566
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.85		6.85		5283564
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44		7.44		5283565
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.94		8.94		5283571
PA 34:1; [M-H]-@6.87		6.87					PA(34:1)	LipidMaps Bulk ID
PA 34:2; [M-H]-@6.46		6.46					PA(34:2)	LipidMaps Bulk ID
PA 34:3; [M-H]-@6.04		6.04					PA(34:3)	LipidMaps Bulk ID
PA 35:1; [M-H]-@6.95		6.95					PA(35:1)	LipidMaps Bulk ID
PA 36:1; [M-H]-@7.52		7.52					PA(36:1)	LipidMaps Bulk ID
PA 36:2; [M-H]-@6.89		6.89					PA(36:2)	LipidMaps Bulk ID
PA 36:3; [M-H]-@6.50		6.5					PA(36:3)	LipidMaps Bulk ID
PA 36:4; [M-H]-@6.29		6.29					PA(36:4)	LipidMaps Bulk ID
PA 36:5; [M-H]-@5.99		5.99					PA(36:5)	LipidMaps Bulk ID
PA 38:4; [M-H]-@7.02		7.02					PA(38:4)	LipidMaps Bulk ID
PA 38:5; [M-H]-@6.51		6.51					PA(38:5)	LipidMaps Bulk ID
PA 38:6; [M-H]-@6.27		6.27					PA(38:6)	LipidMaps Bulk ID
PA 40:6; [M-H]-@6.51		6.51					PA(40:6)	LipidMaps Bulk ID
PC 30:1; [M-Ac-H]-@5.60		5.6					PC(30:1)	LipidMaps Bulk ID
PC 32:0; [M-Ac-H]-@6.83		6.83					PC(32:0)	LipidMaps Bulk ID
PC 32:1; [M-Ac-H]-@6.36		6.36					PC(32:1)	LipidMaps Bulk ID
PC 32:2; [M-Ac-H]-@5.80		5.8					PC(32:2)	LipidMaps Bulk ID
PC 33:2; [M-Ac-H]-@6.15		6.15					PC(33:2)	LipidMaps Bulk ID
PC 34:1; [M-Ac-H]-@6.88		6.88					PC(34:1)	LipidMaps Bulk ID
PC 34:2; [M-Ac-H]-@6.42		6.42					PC(34:2)	LipidMaps Bulk ID
PC 34:3; [M-Ac-H]-@6.00		6					PC(34:3)	LipidMaps Bulk ID
PC 34:4; [M-Ac-H]-@5.75		5.75					PC(34:4)	LipidMaps Bulk ID
PC 35:0; [M-Ac-H]-@7.73		7.73					PC(35:0)	LipidMaps Bulk ID
PC 35:1; [M-Ac-H]-@7.23		7.23					PC(35:1)	LipidMaps Bulk ID
PC 35:2; [M-Ac-H]-@6.74		6.74					PC(35:2)	LipidMaps Bulk ID
PC 36:1; [M-Ac-H]-@7.55		7.55					PC(36:1)	LipidMaps Bulk ID
PC 36:2; [M-Ac-H]-@7.02		7.02					PC(36:2)	LipidMaps Bulk ID
PC 36:3; [M-Ac-H]-@6.60		6.6					PC(36:3)	LipidMaps Bulk ID
PC 36:4; [M-Ac-H]-@6.30		6.3					PC(36:4)	LipidMaps Bulk ID
PC 36:5; [M-Ac-H]-@5.93		5.93					PC(36:5)	LipidMaps Bulk ID
PC 37:1; [M-Ac-H]-@7.83		7.83					PC(37:1)	LipidMaps Bulk ID
PC 37:2; [M-Ac-H]-@7.37		7.37					PC(37:2)	LipidMaps Bulk ID
PC 37:4; [M-Ac-H]-@6.68		6.68					PC(37:4)	LipidMaps Bulk ID
PC 38:0; [M-Ac-H]-@8.18		8.18					PC(38:0)	LipidMaps Bulk ID
PC 38:1; [M-Ac-H]-@7.67		7.67					PC(38:1)	LipidMaps Bulk ID
PC 38:2; [M-Ac-H]-@7.73		7.73					PC(38:2)	LipidMaps Bulk ID
PC 38:3; [M-Ac-H]-@7.35		7.35					PC(38:3)	LipidMaps Bulk ID
PC 38:4; [M-Ac-H]-@6.96		6.96					PC(38:4)	LipidMaps Bulk ID
PC 38:5; [M-Ac-H]-@6.56		6.56					PC(38:5)	LipidMaps Bulk ID
PC 38:6; [M-Ac-H]-@6.21		6.21					PC(38:6)	LipidMaps Bulk ID
PC 38:7; [M-Ac-H]-@5.60		5.6					PC(38:7)	LipidMaps Bulk ID
PC 39:5; [M-Ac-H]-@6.72		6.72					PC(39:5)	LipidMaps Bulk ID
PC 40:5; [M-Ac-H]-@7.02		7.02					PC(40:5)	LipidMaps Bulk ID
PC 40:6; [M-Ac-H]-@6.82		6.82					PC(40:6)	LipidMaps Bulk ID
PC 40:7; [M-Ac-H]-@6.37		6.37					PC(40:7)	LipidMaps Bulk ID
PC 41:6; [M-Ac-H]-@7.09		7.09					PC(41:6)	LipidMaps Bulk ID
PE 32:0; [M-H]-@6.80		6.8					PE(32:0)	LipidMaps Bulk ID
PE 32:1; [M-H]-@6.27		6.27					PE(32:1)	LipidMaps Bulk ID
PE 33:1; [M-H]-@6.63		6.63					PE(33:1)	LipidMaps Bulk ID
PE 34:1; [M-H]-@6.90		6.9					PE(34:1)	LipidMaps Bulk ID
PE 34:2; [M-H]-@6.49		6.49					PE(34:2)	LipidMaps Bulk ID
PE 34:3; [M-H]-@6.06		6.06					PE(34:3)	LipidMaps Bulk ID
PE 35:0; [M-H]-@7.66		7.66					PE(35:0)	LipidMaps Bulk ID
PE 35:1; [M-H]-@6.61		6.61					PE(35:1)	LipidMaps Bulk ID
PE 35:2; [M-H]-@6.73		6.73					PE(35:2)	LipidMaps Bulk ID
PE 35:4; [M-H]-@6.11		6.11					PE(35:4)	LipidMaps Bulk ID
PE 36:0; [M-H]-@7.93		7.93					PE(36:0)	LipidMaps Bulk ID
PE 36:1; [M-H]-@7.51		7.51					PE(36:1)	LipidMaps Bulk ID
PE 36:3; [M-H]-@6.60		6.6					PE(36:3)	LipidMaps Bulk ID
PE 36:4; [M-H]-@6.39		6.39					PE(36:4)	LipidMaps Bulk ID
PE 36:5; [M-H]-@5.96		5.96					PE(36:5)	LipidMaps Bulk ID
PE 37:4; [M-H]-@6.71		6.71					PE(37:4)	LipidMaps Bulk ID
PE 38:1; [M-H]-@7.53		7.53					PE(38:1)	LipidMaps Bulk ID
PE 38:3; [M-H]-@6.70		6.7					PE(38:3)	LipidMaps Bulk ID
PE 38:4; [M-H]-@7.05		7.05					PE(38:4)	LipidMaps Bulk ID
PE 38:5; [M-H]-@6.59		6.59					PE(38:5)	LipidMaps Bulk ID
PE 38:6; [M-H]-@6.18		6.18					PE(38:6)	LipidMaps Bulk ID
PE 40:2; [M-H]-@7.53		7.53					PE(40:2)	LipidMaps Bulk ID
PE 40:5; [M-H]-@7.12		7.12					PE(40:5)	LipidMaps Bulk ID
PE 40:6; [M-H]-@6.95		6.95					PE(40:6)	LipidMaps Bulk ID
PE 40:7; [M-H]-@6.47		6.47					PE(40:7)	LipidMaps Bulk ID
PE 40:8; [M-H]-@5.98		5.98					PE(40:8)	LipidMaps Bulk ID
PG 33:0; [M-H]-@6.07		6.07					PG(33:0)	LipidMaps Bulk ID
PG 34:2; [M-H]-@5.34		5.34					PG(34:2)	LipidMaps Bulk ID
PG 35:0; [M-H]-@6.61		6.61					PG(35:0)	LipidMaps Bulk ID
PG 36:0; [M-H]-@6.89		6.89					PG(36:0)	LipidMaps Bulk ID
PG 36:2; [M-H]-@6.09		6.09					PG(36:2)	LipidMaps Bulk ID
PG 36:4; [M-H]-@5.43		5.43					PG(36:4)	LipidMaps Bulk ID
PG 38:4; [M-H]-@6.06		6.06					PG(38:4)	LipidMaps Bulk ID
PI 34:1; [M-H]-@5.70		5.7					PI(34:1)	LipidMaps Bulk ID
PI 34:2; [M-H]-@5.27		5.27					PI(34:2)	LipidMaps Bulk ID
PI 35:1; [M-H]-@5.91		5.91					PI(35:1)	LipidMaps Bulk ID
PI 36:1; [M-H]-@6.24		6.24					PI(36:1)	LipidMaps Bulk ID
PI 36:2; [M-H]-@5.89		5.89					PI(36:2)	LipidMaps Bulk ID
PI 36:3; [M-H]-@5.39		5.39					PI(36:3)	LipidMaps Bulk ID
PI 36:4; [M-H]-@5.24		5.24					PI(36:4)	LipidMaps Bulk ID
PI 38:3; [M-H]-@6.09		6.09					PI(38:3)	LipidMaps Bulk ID
PI 38:4; [M-H]-@5.90		5.9					PI(38:4)	LipidMaps Bulk ID
PI 38:5; [M-H]-@5.40		5.4					PI(38:5)	LipidMaps Bulk ID
PI 40:4; [M-H]-@6.31		6.31					PI(40:4)	LipidMaps Bulk ID
PI 40:5; [M-H]-@5.95		5.95					PI(40:5)	LipidMaps Bulk ID
PI 40:6; [M-H]-@5.80		5.8					PI(40:6)	LipidMaps Bulk ID
lysoPE 16:0; [M-H]-@1.72		1.72					LPE(16:0)	LipidMaps Bulk ID
lysoPE 18:0; [M-H]-@2.48		2.48					LPE(18:0)	LipidMaps Bulk ID
lysoPE 18:1; [M-H]-@1.83		1.83					LPE(18:1)	LipidMaps Bulk ID
lysoPE 18:2; [M-H]-@1.41		1.41					LPE(18:2)	LipidMaps Bulk ID
lysoPE 20:2; [M-H]-@2.09		2.09					LPE(20:2)	LipidMaps Bulk ID
lysoPE 20:3; [M-H]-@1.63		1.63					LPE(20:3)	LipidMaps Bulk ID
lysoPE 20:4; [M-H]-@1.39		1.39					LPE(20:4)	LipidMaps Bulk ID
lysoPE 22:4; [M-H]-@1.93		1.93					LPE(22:4)	LipidMaps Bulk ID
lysoPE 22:5; [M-H]-@1.53		1.53					LPE(22:5)	LipidMaps Bulk ID
plasmenyl-PE 32:0; [M-H]-@7.15		7.15					PE(P-32:0)	LipidMaps Bulk ID
plasmenyl-PE 32:1; [M-H]-@6.64		6.64					PE(P-32:1)	LipidMaps Bulk ID
plasmenyl-PE 34:0; [M-H]-@7.22		7.22					PE(P-34:0)	LipidMaps Bulk ID
plasmenyl-PE 34:1; [M-H]-@7.24		7.24					PE(P-34:1)	LipidMaps Bulk ID
plasmenyl-PE 34:2; [M-H]-@6.79		6.79					PE(P-34:2)	LipidMaps Bulk ID
plasmenyl-PE 34:3; [M-H]-@6.54		6.54					PE(P-34:3)	LipidMaps Bulk ID
plasmenyl-PE 36:0; [M-H]-@7.32		7.32					PE(P-36:0)	LipidMaps Bulk ID
plasmenyl-PE 36:1; [M-H]-@7.76		7.76					PE(P-36:1)	LipidMaps Bulk ID
plasmenyl-PE 36:4; [M-H]-@6.71		6.71					PE(P-36:4)	LipidMaps Bulk ID
plasmenyl-PE 36:5; [M-H]-@6.37		6.37					PE(P-36:5)	LipidMaps Bulk ID
plasmenyl-PE 38:1; [M-H]-@8.28		8.28					PE(P-38:1)	LipidMaps Bulk ID
plasmenyl-PE 38:2; [M-H]-@7.35		7.35					PE(P-38:2)	LipidMaps Bulk ID
plasmenyl-PE 38:3; [M-H]-@7.59		7.59					PE(P-38:3)	LipidMaps Bulk ID
plasmenyl-PE 38:4; [M-H]-@6.96		6.96					PE(P-38:4)	LipidMaps Bulk ID
plasmenyl-PE 38:5; [M-H]-@6.82		6.82					PE(P-38:5)	LipidMaps Bulk ID
plasmenyl-PE 38:6; [M-H]-@6.61		6.61					PE(P-38:6)	LipidMaps Bulk ID
plasmenyl-PE 40:4; [M-H]-@7.57		7.57					PE(P-40:4)	LipidMaps Bulk ID
plasmenyl-PE 40:5; [M-H]-@7.41		7.41					PE(P-40:5)	LipidMaps Bulk ID
plasmenyl-PE 40:6; [M-H]-@7.25		7.25					PE(P-40:6)	LipidMaps Bulk ID
plasmenyl-PE 42:5; [M-H]-@7.94		7.94					plasmenyl-PE 42:5	LipidBLAST
plasmenyl-PE 42:6; [M-H]-@7.82		7.82					PE(P-42:6)	LipidMaps Bulk ID
METABOLITES_END
#END