#METABOLOMICS WORKBENCH araskind_20170605_133131 DATATRACK_ID:955 STUDY_ID:ST000673 ANALYSIS_ID:AN001032 PROJECT_ID:PR000475
VERSION             	1
CREATED_ON             	June 30, 2017, 9:57 am
#PROJECT
PR:PROJECT_TITLE                 	Lipidomics in Suddent infant death syndrome
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Lipid analysis of serum in controls and SIDS infants
PR:INSTITUTE                     	Childrens Hospital Boston
PR:DEPARTMENT                    	Pathology
PR:LABORATORY                    	Kinney Lab
PR:LAST_NAME                     	Haynes
PR:FIRST_NAME                    	Robin
PR:ADDRESS                       	Boston, MA
PR:EMAIL                         	robin.haynes@childrens.harvard.edu
PR:PHONE                         	617-763-5782
#STUDY
ST:STUDY_TITLE                   	Lipidomics in (SIDS) Sudden Infant Death Syndrome
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	Serum samples were collected postmortem from infants dying of Sudden Infant
ST:STUDY_SUMMARY                 	Death Syndrome.
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                    	101
ST:TOTAL_SUBJECTS                	33
#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           	SU0014703	S00022405	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=60.0; Postmortem interval (hours)=20.0; Postnatal age (weeks)=20.0
SUBJECT_SAMPLE_FACTORS           	SU0014704	S00022406	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=52.0; Postmortem interval (hours)=5.5; Postnatal age (weeks)=12.0
SUBJECT_SAMPLE_FACTORS           	SU0014705	S00022407	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=53.0; Postmortem interval (hours)=17.25; Postnatal age (weeks)=13.0
SUBJECT_SAMPLE_FACTORS           	SU0014706	S00022408	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=64.0; Postmortem interval (hours)=23.0; Postnatal age (weeks)=24.0
SUBJECT_SAMPLE_FACTORS           	SU0014707	S00022409	Diagnosis:SIDS	Gestational age (weeks)=39.0; Postconceptional age (weeks)=48.0; Postmortem interval (hours)=25.33; Postnatal age (weeks)=9.0
SUBJECT_SAMPLE_FACTORS           	SU0014708	S00022410	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=52.1; Postmortem interval (hours)=21.0; Postnatal age (weeks)=12.1
SUBJECT_SAMPLE_FACTORS           	SU0014709	S00022411	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=48.1; Postmortem interval (hours)=7.0; Postnatal age (weeks)=8.1
SUBJECT_SAMPLE_FACTORS           	SU0014710	S00022412	Diagnosis:Control	Gestational age (weeks)=40.0; Postconceptional age (weeks)=50.7; Postmortem interval (hours)=11.5; Postnatal age (weeks)=10.7
SUBJECT_SAMPLE_FACTORS           	SU0014711	S00022413	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=57.8; Postmortem interval (hours)=9.0; Postnatal age (weeks)=17.8
SUBJECT_SAMPLE_FACTORS           	SU0014712	S00022414	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=52.6; Postmortem interval (hours)=9.7; Postnatal age (weeks)=12.6
SUBJECT_SAMPLE_FACTORS           	SU0014713	S00022415	Diagnosis:SIDS	Gestational age (weeks)=39.0; Postconceptional age (weeks)=59.6; Postmortem interval (hours)=9.6; Postnatal age (weeks)=20.6
SUBJECT_SAMPLE_FACTORS           	SU0014714	S00022416	Diagnosis:SIDS	Gestational age (weeks)=35.9; Postconceptional age (weeks)=45.0; Postmortem interval (hours)=24.9; Postnatal age (weeks)=9.1
SUBJECT_SAMPLE_FACTORS           	SU0014715	S00022417	Diagnosis:Control	Gestational age (weeks)=40.0; Postconceptional age (weeks)=62.7; Postmortem interval (hours)=20.3; Postnatal age (weeks)=22.7
SUBJECT_SAMPLE_FACTORS           	SU0014716	S00022418	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=91.0; Postmortem interval (hours)=21.1; Postnatal age (weeks)=51.0
SUBJECT_SAMPLE_FACTORS           	SU0014717	S00022419	Diagnosis:SIDS	Gestational age (weeks)=39.0; Postconceptional age (weeks)=54.9; Postmortem interval (hours)=15.6; Postnatal age (weeks)=15.9
SUBJECT_SAMPLE_FACTORS           	SU0014718	S00022420	Diagnosis:Control	Gestational age (weeks)=40.0; Postconceptional age (weeks)=43.6; Postmortem interval (hours)=15.8; Postnatal age (weeks)=3.6
SUBJECT_SAMPLE_FACTORS           	SU0014719	S00022421	Diagnosis:SIDS	Gestational age (weeks)=39.0; Postconceptional age (weeks)=66.0; Postmortem interval (hours)=21.2; Postnatal age (weeks)=27.0
SUBJECT_SAMPLE_FACTORS           	SU0014720	S00022422	Diagnosis:Control	Gestational age (weeks)=31.0; Postconceptional age (weeks)=42.9; Postmortem interval (hours)=26.2; Postnatal age (weeks)=11.9
SUBJECT_SAMPLE_FACTORS           	SU0014721	S00022423	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=51.0; Postmortem interval (hours)=23.0; Postnatal age (weeks)=11.0
SUBJECT_SAMPLE_FACTORS           	SU0014722	S00022424	Diagnosis:SIDS	Gestational age (weeks)=40.0; Postconceptional age (weeks)=56.1; Postmortem interval (hours)=21.5; Postnatal age (weeks)=16.1
SUBJECT_SAMPLE_FACTORS           	SU0014723	S00022425	Diagnosis:SIDS	Gestational age (weeks)=37.0; Postconceptional age (weeks)=51.6; Postmortem interval (hours)=24.0; Postnatal age (weeks)=14.6
SUBJECT_SAMPLE_FACTORS           	SU0014724	S00022426	Diagnosis:Control	Gestational age (weeks)=35.0; Postconceptional age (weeks)=37.0; Postmortem interval (hours)=17.7; Postnatal age (weeks)=2.0
SUBJECT_SAMPLE_FACTORS           	SU0014725	S00022427	Diagnosis:Control	Gestational age (weeks)=36.0; Postconceptional age (weeks)=36.3; Postmortem interval (hours)=8.5; Postnatal age (weeks)=0.3
SUBJECT_SAMPLE_FACTORS           	SU0014726	S00022428	Diagnosis:Control	Gestational age (weeks)=40.0; Postconceptional age (weeks)=51.3; Postmortem interval (hours)=25.4; Postnatal age (weeks)=11.3
SUBJECT_SAMPLE_FACTORS           	SU0014727	S00022429	Diagnosis:SIDS	Gestational age (weeks)=37.0; Postconceptional age (weeks)=42.6; Postmortem interval (hours)=23.4; Postnatal age (weeks)=5.6
SUBJECT_SAMPLE_FACTORS           	SU0014728	S00022430	Diagnosis:SIDS	Gestational age (weeks)=40.7; Postconceptional age (weeks)=56.7; Postmortem interval (hours)=21.3; Postnatal age (weeks)=16.0
SUBJECT_SAMPLE_FACTORS           	SU0014729	S00022431	Diagnosis:SIDS	Gestational age (weeks)=39.0; Postconceptional age (weeks)=42.1; Postmortem interval (hours)=22.0; Postnatal age (weeks)=3.1
SUBJECT_SAMPLE_FACTORS           	SU0014730	S00022432	Diagnosis:Control	Gestational age (weeks)=40.0; Postconceptional age (weeks)=41.3; Postmortem interval (hours)=2.0; Postnatal age (weeks)=1.3
SUBJECT_SAMPLE_FACTORS           	SU0014731	S00022433	Diagnosis:SIDS	Gestational age (weeks)=38.5; Postconceptional age (weeks)=64.6; Postmortem interval (hours)=28.1; Postnatal age (weeks)=26.1
SUBJECT_SAMPLE_FACTORS           	SU0014732	S00022434	Diagnosis:Control	Gestational age (weeks)=41.0; Postconceptional age (weeks)=41.0; Postmortem interval (hours)=12.0; Postnatal age (weeks)=0.0
SUBJECT_SAMPLE_FACTORS           	SU0014733	S00022435	Diagnosis:SIDS	Gestational age (weeks)=40.7; Postconceptional age (weeks)=58.2; Postmortem interval (hours)=20.0; Postnatal age (weeks)=17.5
SUBJECT_SAMPLE_FACTORS           	SU0014734	S00022436	Diagnosis:Control	Gestational age (weeks)=34.7; Postconceptional age (weeks)=40.7; Postmortem interval (hours)=24.0; Postnatal age (weeks)=6.0
SUBJECT_SAMPLE_FACTORS           	SU0014735	S00022437	Diagnosis:SIDS	Gestational age (weeks)=37.9; Postconceptional age (weeks)=47.4; Postmortem interval (hours)=26.7; Postnatal age (weeks)=9.5
#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	S00022405	S00022406	S00022407	S00022408	S00022409	S00022410	S00022411	S00022412	S00022413	S00022414	S00022415	S00022416	S00022417	S00022418	S00022419	S00022420	S00022421	S00022422	S00022423	S00022424	S00022425	S00022426	S00022427	S00022428	S00022429	S00022430	S00022431	S00022432	S00022433	S00022434	S00022435	S00022436	S00022437
Factors	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:Control	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:Control	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:Control	Diagnosis:SIDS	Diagnosis:Control	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:Control	Diagnosis:Control	Diagnosis:Control	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:SIDS	Diagnosis:Control	Diagnosis:SIDS	Diagnosis:Control	Diagnosis:SIDS	Diagnosis:Control	Diagnosis:SIDS
CL 70:5; [M-2H](2-)@5.92	35243.54967	54815.32099	52872.66165	116172.892	55672.50428	30247.11695	30029.25758	40592.96671	45078.83505	40434.66781	17940.37252	103278.5474	35281.01174	169474.6267	113146.5022	22065.32672	98003.29715	174084.3527	62163.89553	90224.18421	67365.77891	39804.9989	21770.7086	11039.50652	53672.40684	62039.53471	86608.5214	42240.77827	339116.5884	4974.342722	76463.56309	83320.63819	65667.19863
CL 72:3; [M-2H](2-)@7.51	2445.940975	3681.630935	1851.899324	2237.314567	2280.246762	2832.991309	2909.599509	1800.571047	3274.773094	4133.811188	2548.658465	839.5970306	2765.174887	6059.596097	3198.566351	1271.159135	3352.369624	1604.94932	1821.472093	4694.357525	2429.786108	3406.81007	592.7570168	1510.733261	2298.475121	5627.710502	6158.425417	4777.225195	7218.152988	10073.38394	10393.53605	2678.482647	1910.371613
CL 74:1; [M-2H](2-)@7.51	427807.2197	484648.6433	117424.9581	160015.5636	155972.7308	182991.0325	174908.7106	184301.5556	186099.3838	202200.289	144524.7633	441467.4088	197924.2315	171679.838	335365.295	144547.0683	262804.2336	499947.9285	304696.6591	158885.7483	356224.3173	114999.7615	71484.31577	53315.65856	221291.8613	464928.5792	487620.4764	346682.7293	1334287.54	46752.78927	143483.6188	588477.8243	258408.9995
CL 74:7; [M-2H](2-)@6.12	432107.3072	816591.36	635619.6819	1090784.318	1015753.6	402346.0845	371565.0781	637213.8214	585264.7455	637155.6591	379431.8835	1318315.555	481992.8424	1625796.766	1052400.43	474050.6725	1191257.897	1489849.906	555566.5998	871768.2111	1397050.735	808314.5645	336527.1986	137370.9915	1111193.487	703700.1824	1225603.952	1230700.83	4643768.502	180794.722	910542.2085	1210429.658	635615.9311
CL 78:1; [M-2H](2-)@7.97	17829.15399	17772.81789	4456.882134	20291.73039	8537.362306	5319.081721	9668.991484	28801.23543	35984.66475	12071.74155	3743.19736	19582.16767	17500.52432	13386.93694	15969.15442	8978.404391	5493.268952	26301.10861	10827.57793	7597.821629	12270.6618	16068.95205	1757.779039	3580.20573	3995.132927	25979.04545	27180.17656	30854.72128	15284.06612	1251.5581	29937.43619	30053.97839	18471.24734
CL 78:9; [M-2H](2-)@6.71	555224.5062	422060.6764	472237.3849	740083.958	552301.9095	273347.1029	381814.9633	394629.6588	455684.2564	540598.08	172553.9992	731312.612	393720.6531	1049562.792	590458.9718	376349.8583	516451.5436	1095301.544	575041.8797	520267.3558	749078.7632	524031.1106	262792.3374	55790.64711	776090.3463	487409.0997	964664.4524	821732.3223	3698725.985	122287.5314	808477.5175	749463.5455	516653.0352
CerP 34:1; [M-H]-@5.97	10742.38046	6581.498172	13770.84653	9190.264699	16845.10502	6422.41314	13760.98903	10325.87903	8314.479149	12424.04633	8976.639289	7649.900365	9288.136028	8419.472654	20517.86963	6861.075886	10276.76828	5125.425721	16870.82798	12038.68619	12934.39717	17000.99391	6484.090407	8867.550825	5091.493239	20978.77347	14958.07305	11428.04164	30612.93833	5297.94142	20599.12818	7611.515298	10719.05599
FFA(16:0)	83835114.7	69542897.35	54449114.69	70077161.3	72625245.9	66747235.43	49238926.17	56578768.37	70791293.16	69137938.31	43809705.36	70485013.49	70246994.34	72398429.26	63508911.88	59156191.64	81465840.59	78989758.97	64973117.63	63274404.32	77406383.54	70700126.96	80223402.53	45462826.91	50268126.39	74190962.79	83114069.07	72326363.43	176744402.9	50938347.92	77091663.27	83376653.59	72603281.76
FFA(18:0)	71234152.98	60528709.22	44232081.65	56611700.77	65562045.28	60082035.92	50284069.04	55187634.2	50352255.38	65133237.11	45447056.2	58330565.11	60689927.05	63084418.52	52583755.57	50985648	71951863.65	80258663.17	59260258.73	54738937.29	61606239.66	52737625.67	68628430.88	46422684.62	44176230.32	59477998.73	63980273.25	54159969.95	152954885.6	47549251.3	64412543.32	70490616.74	61507243.2
FFA(18:1)	111997178.2	39105304.9	26197109.74	46136636.43	41398984.45	37553085.13	35468421.52	29955044.8	63564440.22	51600697.78	17633860.01	59733705.46	54967648.04	41497058.54	36988277.13	27607423.67	45522488.18	60120668.77	37472576.38	45274720.63	56413905.08	44166519.54	41123688.19	14190705.35	24183360.53	65161664.68	72557253.8	50035385.42	125224761.3	13477623.2	45805653.35	78063984.2	59743237.57
FFA(18:2)	95182048.93	43403588.72	26266558.38	58995725.07	41559601.39	35078378.06	37574719.12	28186121.51	57746513.23	45241651.77	14651863.11	60647515.7	46089739.03	50711903.68	41357058.83	30903245.41	47573500.02	60620048.97	50047620.02	53121769	52258420.22	48136534.61	30354715.65	9880479.277	29861011.97	64631669.21	65981878.79	39284024.58	152800710.3	6262732.242	57523203.34	74627189.99	63751146.2
FFA(20:0)	1911496.685	1520168.164	1036847.174	1022643.515	1583795.682	1548280.218	1158311.804	1427827.994	1468730.805	1355478.274	1008367.141	1368450.556	1317817.879	1211509.145	1104583.106	989989.7248	1586206.796	1899474.16	1341660.753	1169671.076	1515620.799	1159762.29	1365343.24	973538.4784	975272.8583	1380125.288	1475255.885	1275548.891	3145636.221	1051518.903	1383573.083	1698444.389	1352700.26
FFA(20:1)	2276119.911	973885.5688	436696.5254	764273.7282	683392.4909	568719.0643	791850.7449	577557.521	1277733.489	861505.0912	391967.5374	1087126.555	1062534.47	684308.953	519716.3289	403547.8886	553025.038	820357.5072	589838.202	578315.6076	848094.8227	566168.8302	360208.285	277134.2845	342865.1387	1514346.398	1580564.817	769795.256	1636727.73	195016.5319	576357.7653	1344659.841	1172429.394
FFA(20:2)	2248800.733	1122624.381	613508.05	1304162.435	1060234.054	1046959.91	1296045.383	843894.8333	1598222.566	1340899.627	641265.8968	2251243.533	1623399.061	945127.4643	846048.4841	1045655.002	807336.773	1600853.194	1378262.313	1243025.661	969298.5458	2105494.213	630017.2054	312451.1482	690040.4076	3250950.999	2606957.278	2259858.599	2465014.304	258280.1827	1125086.998	2512733.25	3111044.164
FFA(20:4) Arachidonic acid	37468747.24	17805799.47	14463097.44	29916094.9	27208822.68	16509733.33	22379503.62	17829953.06	45767865.46	24077761.38	22114701.36	32848616.4	39342304.95	35367553.36	27381558.52	16019307.24	18458047.8	16696022.61	19482714.33	36493714.51	29569734.74	38277824.38	18883139.12	3587460.41	18476758.4	31439893.2	65177842.22	27109066.82	55901088.63	14310189.85	38243437.96	42313384.62	38546475.58
FFA(22:0)	685790.0204	545887.3031	254852.732	344227.9457	444619.7407	471672.1688	344583.71	351567.5294	525180.3828	377018.5614	280296.0826	497918.3478	413909.3599	416709.4803	325966.3513	270328.8385	467809.1676	598074.9412	418817.4906	286057.76	492678.4737	338165.3627	316562.2468	246788.5338	256305.51	418471.2775	539437.2385	378923.0618	940800.6664	246805.1811	440392.8344	729742.3405	396914.7951
FFA(22:1)	296621.1267	184804.3504	106547.1831	109777.5196	127351.265	153362.921	174595.1583	119649.2802	235389.7618	150634.8707	119249.5112	229519.8634	235581.3634	148908.5931	96696.14241	82770.24222	88377.3219	110992.7787	100971.2699	115739.8678	229758.2343	158528.3009	90264.11911	77171.48551	108185.5848	220440.3999	347185.6341	119114.395	390343.5549	43255.78774	107633.958	266503.7854	244488.1049
FFA(22:2)	149092.927	119804.7749	35999.43414	82930.00093	66410.02914	59022.75877	88568.3088	58489.62718	143194.0264	85015.7315	55928.324	154512.2616	118334.6164	68103.00605	55062.0328	56820.09273	53623.272	65411.60314	59692.78028	72651.23584	78195.72233	70470.83824	27394.62044	23278.86031	48315.80943	234419.9375	181330.8968	81830.09622	193306.3253	22363.52946	43030.80774	148706.433	170134.456
FFA(22:3)	164606.3682	186603.1294	76327.1714	101286.7303	142727.312	75769.31453	140595.0793	149416.359	212887.5701	124210.9139	101702.4919	257330.885	160296.1509	92092.68778	112706.8375	107617.6527	53560.03757	88569.63136	98419.3717	67290.101	100668.2183	168635.695	99772.15184	52458.95667	125721.3074	195214.0319	341056.8761	131614.5667	74533.76639	29673.46636	75179.2297	265836.0603	270724.8274
FFA(24:0)	513356.1458	416872.4616	208909.1123	305674.8664	354334.508	297188.9061	264204.9448	201703.9767	504488.7575	368290.804	250607.6951	535015.4292	485933.2037	383487.4492	284487.6971	236401.4322	434444.4659	425153.6974	291544.5679	230720.2922	425040.6293	288547.6107	173349.2691	176162.8471	227631.1853	434183.3105	643990.7234	313569.2093	680829.3765	212589.3443	282255.9403	518581.6053	382155.0826
FFA(24:1)	444025.244	362666.3041	124891.517	339999.5339	260446.3492	114496.3522	246170.9864	230493.61	494266.0433	294507.0435	286156.4023	396850.3317	430227.1482	240846.0769	247163.7935	140000.5439	154375.7378	212736.1274	213971.6314	211122.9497	369874.0266	255414.2792	70654.90988	110449.1994	195849.9152	383211.3885	629736.3399	278817.1418	449662.3657	68182.12688	249720.8104	398774.741	314744.4875
FFA(24:2)	110499.563	108409.6509	39162.41149	77417.62767	55071.10568	53234.13335	65379.49376	57257.28289	149207.5544	95015.2683	81566.96637	104602.6058	110793.7889	81889.77275	59167.70163	68506.76125	35834.04999	54482.40502	49690.97968	69082.43405	71643.95877	68137.76002	31368.12392	31753.23751	55587.07971	147626.2814	141982.1547	72252.76963	107033.3714	29727.15564	87200.40628	94210.94696	135754.6006
FFA(24:3)	62905.00002	32336.5486	12551.06681	11728.38557	22330.29697	16229.26977	24596.16469	15213.59579	51672.6694	5713.198416	19983.96754	27715.87168	42275.3645	27858.54671	17518.71562	10052.11354	7573.658277	16309.36645	19230.67138	13108.61184	24578.19262	31838.57965	9559.899645	5961.347115	10309.21652	42145.25607	93167.38138	21388.38948	6452.26784	7498.165453	14546.72085	60751.54856	47121.04262
PA 33:2; [M-H]-@1.84	9452.058778	6557.485535	4847.02227	14353.21126	6828.418075	6518.170653	12815.70106	9232.446777	12627.66418	14790.03733	6838.997189	10648.12387	9653.46121	5215.8315	16451.8193	8244.902834	8154.960232	12076.20364	13239.39141	17546.36304	10950.89954	11045.18789	3166.091999	553.612221	4778.192536	10524.73785	18726.53503	10062.11075	28697.15385	802.9904224	15091.86078	12036.26797	10033.48751
PC 28:0; [M-Ac-H]-@5.44	94130.60166	64311.7765	29790.48451	18253.22454	24712.37166	31454.23362	33145.43112	15341.25625	51758.3107	34572.17342	23588.65844	57840.61369	73042.35119	14659.55302	39778.8037	16410.34182	18977.96056	28787.07333	12557.20952	24874.75324	33661.4777	16200.89446	29268.34103	23158.4736	20469.8049	26930.21975	91562.33328	14819.7612	60832.39142	18715.83306	14539.06795	72522.27051	37348.49217
PC 30:0; [M-Ac-H]-@6.17	449114.1715	213524.8859	72484.64216	98111.0081	122346.6958	203848.9406	153742.3524	77497.41846	182052.2072	111086.2967	78986.51268	194857.0943	289475.4696	88766.19859	92157.51415	83564.51335	69579.16455	227034.1497	79931.93244	92415.89413	96074.41216	124521.4703	179360.5156	91446.10357	85235.13471	96080.37076	353439.5435	134895.1498	618447.93	280610.905	100714.7161	200722.1147	217815.9757
PC 30:1; [M-Ac-H]-@5.60	57544.47943	23852.96803	9317.122445	22875.97313	21878.35774	21415.01911	16493.99266	9324.112644	27328.90346	15732.20134	12417.27919	29230.67472	58123.55879	21184.84961	18659.94003	19586.39046	7040.450984	20298.26078	5377.020472	19939.56037	24698.51979	22737.61593	48189.44431	12109.16763	7895.092217	24082.16423	59187.85945	18760.34447	34551.24701	20900.92184	7788.955455	38645.50406	34117.5775
PC 31:0; [M-Ac-H]-@6.38	68103.97495	8586.061065	4429.339202	13453.24279	10651.70967	11600.06163	4823.920238	9938.125684	15897.95544	9427.389585	7865.200738	11799.82623	19122.14022	9712.731471	7133.04871	10138.12368	7342.990825	3737.324598	9294.190675	7788.621161	8567.006789	7152.380707	14316.84352	4401.436083	2143.708861	9281.972184	10330.30701	7558.710312	7918.602358	14370.83042	6765.869914	12055.3496	32253.34524
PC 32:0; [M-Ac-H]-@6.83	1122812.823	358577.7197	245848.8899	368702.5467	400224.5067	594492.6827	299094.7805	266297.6523	457549.396	329206.1867	255998.9531	703223.2668	796567.3979	340473.4135	263499.3387	348154.5288	219043.4976	634523.1428	276988.7426	373397.8953	333557.5176	338025.1096	493302.3645	195843.5081	275929.7642	313134.4591	1343335.198	384448.8354	1082567.818	944297.0418	333201.939	686948.3185	852506.8353
PC 32:1; [M-Ac-H]-@6.29	196326.0047	89388.92567	99367.14324	139452.4027	161675.8753	97650.76871	83861.25431	121540.0324	106331.5409	107343.0315	60000.02474	145119.82	197288.214	81883.13671	99519.76518	114710.9575	63802.56204	109472.5579	73518.70173	119677.2242	138300.9841	129722.6251	201809.415	83910.87772	133726.1585	84575.13545	407578.7138	153613.3811	197086.0392	363738.7704	122218.0232	174255.6748	209329.9622
PC 32:2; [M-Ac-H]-@5.79	151392.1547	182871.6247	96068.44859	92201.93724	75433.66237	37120.86339	86383.75614	45364.62402	141875.5511	62168.5937	51871.67134	114614.2462	105791.2972	129092.8116	92798.87558	43530.89531	68606.98594	90948.74751	74278.33149	80786.51844	121570.4356	56145.53002	81611.15125	31355.52863	59864.23245	114467.1892	114341.9099	46487.74735	111401.5055	24433.74372	56954.48034	118569.7953	76603.36196
PC 33:0; [M-Ac-H]-@7.06	4034.738444	18362.00906	13793.31362	16535.58402	9971.166603	12648.10998	7790.488768	15571.50005	9629.806171	11927.55435	6307.700992	15368.46793	18530.96555	16440.51416	9274.219018	8968.511559	8381.714497	17107.64437	6691.509507	9000.288502	15137.89558	12812.78037	13413.2077	6078.357122	8237.910873	12760.41323	17525.47405	20975.16493	17505.37171	21224.1721	21873.41361	21890.95215	30941.38621
PC 33:1; [M-Ac-H]-@6.63	81501.94106	67716.56052	62581.02213	66219.05689	74405.72044	36690.97315	47886.38724	56810.73062	71193.07363	52051.66767	65549.10978	62801.01393	43434.22174	93211.96139	46663.00901	75213.2834	76205.41398	37837.33451	52171.29911	84368.96914	85230.49039	45641.65236	51960.38434	62090.62588	68510.82996	55829.9304	58950.89479	49003.10846	139617.8976	44397.35045	51299.56769	91609.15368	46633.79019
PC 33:2; [M-Ac-H]-@6.17	86431.12761	91224.70515	69682.33478	70326.37937	71752.86387	56953.67384	45227.52797	85445.19693	69924.18677	70343.14992	66823.54453	63084.65398	62950.08682	84305.63773	79374.90417	77370.24841	98576.15638	80531.32534	104351.024	64682.77936	161428.4408	51384.20443	46168.76795	46076.44047	54470.21795	105273.5457	53011.46391	56174.97117	134821.9609	26533.32085	89385.97962	77978.32714	68238.17624
PC 34:3; [M-Ac-H]-@5.99	76935.85378	213831.7609	145007.6892	99662.13591	114502.1971	55331.01847	83345.76117	108097.2428	155249.4999	104560.7582	71337.44546	107350.0746	115013.5699	200780.6779	149360.0372	75013.07408	152427.5495	127157.767	149274.9265	120774.6953	205755.3584	119792.9045	78186.3485	52324.24677	124425.7421	127346.8601	124364.5667	96752.17264	151939.7858	17809.80213	139505.6911	160773.592	124588.5395
PC 35:1; [M-Ac-H]-@7.30	52793.45753	96900.82731	113794.2979	100790.5306	50366.18423	36796.57609	49329.5417	138472.2967	72639.51612	79699.81006	44088.07442	62920.82175	46921.81112	83201.40807	72530.4416	53440.133	26307.08211	44482.23187	66111.83185	52853.89622	88203.46123	166427.8155	59716.26792	18337.23538	23145.68383	59667.98066	45918.16461	70953.37112	81264.48987	13874.04149	90244.56158	90108.19793	56825.94518
PC 35:2; [M-Ac-H]-@6.80	86305.81635	119732.5227	68790.29061	132383.7744	17263.27124	26917.02767	77463.00458	134725.7829	53429.13849	113282.0514	55129.76841	116634.2377	35992.1637	128921.4233	146712.8014	79917.6823	23807.06554	74884.52979	141408.7543	91802.41016	115540.772	100690.2222	80780.36776	21390.94757	29662.20347	114300.4392	19133.91851	62217.4792	164934.5061	16430.77664	117998.4647	128468.2649	79162.92967
PC 35:4; [M-Ac-H]-@6.10	77013.30207	58412.2302	24500.13802	31403.53614	28440.91107	20472.68907	17490.42785	26171.07925	62582.52548	41870.42024	40812.95774	23524.55399	33383.06055	46183.97109	38729.28795	22935.3851	20345.63567	20908.25069	66938.93027	29425.46736	56621.36124	49538.30876	35665.03333	10360.52938	26155.19054	36531.46315	41892.40855	42840.69916	21533.81232	21683.0356	41284.2954	48477.67712	24440.67251
PC 36:2; [M-Ac-H]-@7.05	3769978.618	4557670.564	2117513.692	3834871.371	2327599.201	1648214.559	2384785.355	4820241.174	3258690.993	3628717.31	2598473.914	3587969.481	2990567.976	3354130.651	4206910.631	2548145.104	2161970.153	2345267.618	3806226.743	3188855.121	4328394.274	3536539.809	1323391.878	1274345.24	2549051.042	4251086.447	2056428.142	2084702.593	4766874.759	232465.7096	4340671.667	4355584.333	3260443.811
PC 37:4; [M-Ac-H]-@6.73	23038.52937	44379.3522	47318.06867	26900.02502	41769.60766	24585.81041	46098.40678	42572.06703	31020.842	84075.50943	30356.68184	30567.81384	36490.98051	41575.62126	41203.67723	30609.80561	14433.6778	43921.76624	37842.98704	41067.45076	55842.55989	78281.11132	29701.6541	21383.86308	34414.58615	33553.15049	27674.94308	26771.85994	34000.69009	11504.67046	47000.29376	55129.27262	30612.11998
PC 37:5; [M-Ac-H]-@6.21	21907.59586	13789.43668	17107.79296	5613.537629	8068.784061	3266.388299	12754.33338	11867.49562	17837.98585	21150.90446	11252.18394	8449.705889	2862.244093	45509.41944	19666.53661	1219.747176	7857.695618	23385.59157	19947.64321	10332.8134	17555.0481	13443.7183	12387.43648	5272.911668	18862.18883	22388.33612	25268.81971	19507.13185	6415.007462	6917.313413	14497.3555	20452.17187	5977.726189
PC 38:2; [M-Ac-H]-@7.76	342681.9056	195765.4587	120130.9415	171700.5813	131131.3279	43667.00767	143516.0732	116168.8897	121736.8437	163687.9591	101131.7718	199717.6353	118807.61	92210.48519	156730.5284	169774.7123	129997.1837	188125.1089	184094.3815	119571.4444	198118.1449	240987.3696	55588.94638	61917.48025	108635.5024	223159.6949	79620.02151	228803.4729	202456.3406	19998.40558	150292.8773	197225.2598	165178.8359
PC 38:5; [M-Ac-H]-@6.54	275431.5316	599557.8653	394144.5809	333809.444	269732.9065	146919.5318	239965.0714	368998.1331	461096.0153	369895.045	163422.1154	276108.6617	334468.0652	486264.1029	404917.7786	290797.8213	190467.6279	225769.2688	334748.0162	341972.5327	490052.1575	423566.2965	297754.4878	130003.9048	358528.4416	302953.1227	324589.6369	296900.0927	280329.2269	139943.2232	549459.4845	481894.9946	253973.3939
PC 38:7; [M-Ac-H]-@5.68	83114.24987	68975.93503	77170.79616	77727.99647	68711.08458	34660.9268	41615.38531	49543.91894	54173.06562	55067.96109	62777.63982	67124.75133	69640.80672	79861.56872	58588.46899	42166.64611	71694.84839	35480.6461	94326.5744	86733.91944	69315.84293	28052.90977	64634.12377	4960.275049	37648.37441	101426.0518	59209.25851	31153.64378	84878.18681	19704.73642	45545.59578	66727.22652	67865.14894
PC 39:6; [M-Ac-H]-@6.60	15246.87748	10541.51879	8281.534519	15401.88514	9768.154335	5089.575759	6039.199719	4863.682636	14573.37575	10583.40816	16471.311	4457.731442	12076.32344	27857.60448	12740.64779	13213.74523	6193.713325	8102.521049	23558.63089	8716.182034	12070.53898	16126.39677	4601.341499	3577.978509	16832.09188	13077.39843	8105.07053	8453.157309	7434.06986	3943.51627	17228.14278	6627.770426	8116.62688
PC 40:7; [M-Ac-H]-@6.38	58248.75384	57552.73007	32877.05951	34284.83006	42569.50219	31278.14899	31285.96037	28316.45496	59414.26605	35327.17417	41866.26945	44441.16101	36302.20834	53867.25763	36372.05689	38988.08488	34040.39834	23469.32285	38384.33436	38762.70148	60040.21446	26821.82923	15337.40181	6562.315743	24092.87661	42473.43425	36413.64509	25530.38122	26923.13287	17884.0791	22223.7057	30769.25789	30625.29529
PC 40:8; [M-Ac-H]-@5.93	53065.75766	116975.6889	123790.2791	206739.5118	107854.4121	45059.23454	90758.98012	194408.2004	110630.2047	110271.3967	54020.4483	173891.7963	135957.2195	94625.38182	295775.7354	138159.5701	84727.76466	142707.4247	101096.5924	184398.5034	128093.9562	175755.2538	47758.07478	12387.37256	156489.7949	167511.524	206435.6073	130514.9218	230483.2215	13313.52733	264182.5771	153980.2208	173863.8125
PC 42:1; [M-Ac-H]-@9.50	11934.35902	22270.18075	3784.816311	6704.534426	7649.494623	1363.599333	7472.853655	1343.21519	12252.6462	7526.532207	4408.062031	14457.66047	5939.684795	5401.656541	5192.145874	2550.254481	2340.952693	5393.603789	9399.642385	3627.336799	9938.3675	6493.741747	2482.114488	742.9131147	7882.685817	3009.560458	9737.874696	4935.774926	30517.24748	3391.598351	3867.201017	20609.25216	2490.911352
PE 32:1; [M-H]-@6.26	17819.5185	9630.933157	8810.432728	10360.50961	6027.738482	2796.036021	4483.833902	4816.001799	10559.71557	11015.11025	5390.30185	19302.15925	8440.622162	14332.58274	8641.497981	23826.64845	8283.836722	9884.538214	6727.969381	11553.76929	11233.5673	13252.08867	13342.10118	1814.505492	6902.948741	13106.6035	21114.70963	14103.87453	29216.46645	10781.16002	1566.621667	16707.98576	12156.82492
PE 34:0; [M-H]-@6.86	40022.27037	24520.29262	25694.32553	25306.57305	10408.12125	8638.323499	19128.55491	8631.613779	37654.93313	12456.85144	13128.75485	31645.77935	29399.70724	27477.19165	22380.52366	15997.3477	22606.30062	38173.73821	12713.03388	16563.02746	26489.06585	21898.24487	7676.882736	3385.397965	29033.14237	14115.3304	72664.04987	45725.04727	169607.9458	12141.35551	12615.75688	62040.535	19573.42883
PE 34:1; [M-H]-@6.87	316299.4106	422326.6568	226272.412	291547.5052	192508.5049	157157.9175	281577.7621	204808.3744	360012.3285	200139.9732	155075.5531	497219.835	222732.963	398408.3429	283430.6842	296230.6832	274958.879	345739.1563	146052.2802	313749.0388	445144.6411	192684.7927	142429.3601	128563.4549	392076.591	174064.6751	672543.3532	509279.6239	4407415.239	171299.8187	173224.4434	725426.0415	220052.2795
PE 34:2; [M-H]-@6.41	454440.0191	917942.2132	643067.7308	1453311.653	532502.9773	214836.3453	335009.3124	622821.7367	605396.9731	560168.8568	256695.3374	1178171.567	416966.3173	1255003.715	1130205.142	438812.8987	1006341.384	1279856.13	669686.0225	659255.7326	864553.9656	659375.4469	188574.5308	106764.32	906449.562	660689.0237	760385.1868	830634.6447	1627689.883	73253.81237	956096.3009	1096040.699	626110.2001
PE 34:3; [M-H]-@6.02	35671.22778	87012.21856	63060.72524	165187.5762	69642.54095	22805.67354	36159.81546	49033.90992	44669.87763	68402.31944	31096.64201	121124.6922	51445.30005	187605.23	147835.4153	42547.42421	108709.3882	220815.2006	81183.14776	114741.2425	72757.33705	58676.7617	19352.98685	10592.55288	67803.76937	75954.53698	120312.0539	58369.02886	429053.4797	6619.583903	118150.5707	117612.2053	75498.60339
PE 34:4; [M-H]-@5.76	11435.25468	4547.869067	2624.060737	2272.564296	1568.413491	1945.528891	3575.830104	2126.398012	6103.665491	4394.234039	2331.968233	4468.135203	1522.972025	9478.926755	7500.113094	2994.11886	3338.406575	2571.958644	1244.898167	6763.03267	6112.962696	3517.6908	1154.286154	862.3925163	3826.050094	1321.233446	9832.271235	5075.62684	28478.01231	3965.467423	893.1430058	3589.698099	4843.447138
PE 35:0; [M-H]-@7.66	9066.942382	6178.956953	9176.718394	8393.771802	3386.943649	1464.931885	6508.325535	5316.98159	8550.218393	2010.732853	5697.577178	2047.808146	1950.338112	4347.249221	10533.29525	4220.664717	5745.073254	6402.965264	9258.365772	4662.764522	7204.715673	3404.695601	3140.894694	4490.774606	8120.917236	7807.329312	8064.839173	7858.375905	4079.026467	2889.622969	7162.309054	2719.89357	6465.009162
PE 35:1; [M-H]-@7.22	6956.795066	5855.284187	3635.38661	4217.891968	2561.866526	3375.857976	3411.61667	6575.883006	5550.631904	7905.520634	2947.7615	9684.231011	3598.947651	15550.19753	12694.0226	6196.118608	1701.785396	9429.992998	2333.347774	3914.90161	4737.158735	7854.662733	5801.776388	2708.490813	2764.15509	5708.843627	13280.13666	9438.484852	36154.92337	3729.160716	6733.218512	12766.13524	18849.38268
PE 35:2; [M-H]-@6.77	7889.242134	15745.53864	5950.074217	19792.53553	2283.760913	5737.706515	2143.151642	21059.71192	12169.4527	15398.48222	3984.671742	18192.55336	4864.106883	23607.01276	20505.05822	5815.119827	7525.69766	16094.10502	9376.231563	11582.45404	13887.66566	18809.3767	2485.003017	4950.552878	7912.708092	15819.0231	10090.15488	16408.1249	22195.66383	602.7423153	21674.01682	13345.93665	17289.19215
PE 36:0; [M-H]-@7.94	33285.97755	24530.16125	16638.43091	43242.97059	38874.86697	38496.52027	55798.99884	21671.29539	24781.65173	25824.113	21987.2788	29528.85306	27806.34496	25599.51852	30274.21107	28810.09359	37833.10633	34580.317	23474.71	26309.96668	23726.85	24997.95014	37255.79822	34336.83268	22856.00104	29530.93815	38416.9622	25121.90786	61015.17539	22980.22913	28445.5328	29930.48606	26903.59604
PE 36:1; [M-H]-@7.48	577268.3708	646545.9076	171983.091	222463.9599	182746.4465	194024.6081	217138.8517	230319.6073	225939.4138	259469.9896	180302.1447	514035.1131	234265.1814	170423.6284	459594.6719	206714.9927	307980.9829	607664.0211	399821.662	233115.9475	389881.6276	177654.2513	138206.8655	58425.44821	263837.8855	587372.374	761054.4115	459795.3617	1876522.308	66437.76774	259451.1656	793570.2775	342713.5014
PE 36:2; [M-H]-@6.47	80685.98042	40032.68876	37686.31273	48266.12161	31194.63067	21974.47307	35180.09796	47254.82366	43538.13769	54752.07348	56835.29311	62683.19516	38370.12333	48839.95223	51247.03627	39149.54923	58041.71677	45943.68355	52318.96463	34646.14448	38277.70779	35286.72261	22230.73263	9536.537575	24955.05933	84290.22306	41956.95465	31294.29764	77720.38476	13368.85993	23964.7562	56774.09114	76577.07247
PE 36:5; [M-H]-@6.02	14977.12991	50082.40272	51084.61012	66178.84619	58184.89433	16338.12384	25126.88385	37834.09031	40293.27458	48708.36632	11338.2667	75191.194	19043.07655	104480.0521	125011.4643	29796.07359	53579.62287	94777.86398	47567.59996	79865.02989	56256.92446	83413.87815	25004.30992	6180.152108	73314.51278	40361.38227	148264.1848	75827.65351	423690.0247	16193.87374	299506.203	84781.86736	48466.88521
PE 37:4; [M-H]-@6.72	7724.456911	16913.14291	21552.41621	38844.74545	8997.614001	5786.186268	6638.511865	37809.26663	10558.86104	24862.54583	7746.185081	28909.94137	9535.134833	40735.82474	41791.7691	16851.54036	7313.836217	14140.03471	20745.27599	28484.4075	19879.69649	40811.62811	11477.31866	6506.092137	29989.93047	12481.30718	22067.64107	27670.51219	78210.48935	5704.105234	31384.09164	13719.96045	25739.37892
PE 38:1; [M-H]-@7.94	33507.28811	30778.07494	20477.40339	14648.1826	6510.252984	14362.51354	14088.50546	27142.74481	19596.00449	18150.21084	23018.68798	21097.40876	12225.96766	7304.195158	13839.49359	17055.52758	6435.832369	26704.89341	13100.11388	13132.28452	6633.786384	12420.13905	7188.64788	9419.359056	8837.486922	40011.4032	22882.04759	33686.56298	29157.36519	5409.976672	9963.288691	42752.30388	31230.03351
PE 38:2; [M-H]-@7.53	68553.06251	39921.05759	24448.55124	33788.79896	31395.90734	26302.76899	40208.28667	44150.21577	33963.07117	38499.63178	25954.44521	69889.33998	30184.33291	30640.07639	39075.38569	24160.43063	16739.99417	69994.60855	29024.86132	31023.21382	36056.78189	68975.29096	13848.44159	22967.06922	70037.25761	57349.4441	67954.04856	52482.39795	132568.9178	5505.966157	38938.19117	94493.64737	55266.48962
PE 38:3; [M-H]-@7.28	202048.4641	341355.0056	125013.2864	169185.6982	180675.0384	57171.53478	191475.301	195969.5134	260090.2384	138324.9838	71985.67843	353434.7983	194780.6478	273169.226	173840.3609	273738.8478	137925.8002	332439.6896	240685.2083	153253.9444	242201.4626	237530.8079	65012.03532	41454.45316	268272.3378	134343.7493	484501.8264	256982.4574	361682.6824	80947.15397	170058.7564	479502.7143	206615.121
PE 38:5; [M-H]-@6.53	739300.7792	681067.493	549582.485	871606.4737	496245.634	286335.1554	476287.1598	477378.7729	563579.837	744500.4097	225906.672	935837.9534	499571.0008	983384.7212	898908.2437	536064.1404	499490.8937	1292167.049	685751.5637	669774.663	853597.0219	789131.2788	319099.1283	65561.51789	939750.5481	757433.696	1274477.408	1033021.783	4629257.386	175498.1577	979312.0505	941849.0645	811123.7999
PE 38:7; [M-H]-@6.04	14201.52336	13342.35975	8679.775039	34488.98161	12609.83621	6647.593272	1625.2223	12393.78283	14269.7485	12380.05179	6386.928389	23099.07751	6101.657247	48381.06243	28249.88068	12395.10762	12439.79211	24112.66605	8361.2884	35504.64792	23554.9649	17415.88608	12221.68514	1623.296475	9923.473563	18581.4589	22535.5447	19964.09994	83400.84399	8409.906116	59579.40911	19753.54907	17414.07666
PE 39:6; [M-H]-@6.59	9312.014999	8370.841227	8768.782572	24266.36842	14164.03023	4780.205407	5894.43541	5344.3489	9080.941688	16271.18841	6341.574041	14987.3907	9547.443607	50909.39224	32761.19768	18912.12231	7539.657597	27265.18566	6315.728468	16648.5606	14540.90667	25436.01681	9750.865244	847.4656474	9867.168576	13965.2009	14244.61204	24614.10384	40446.91118	2436.826237	54070.51042	15528.79467	13867.9629
PE 40:4; [M-H]-@7.48	102108.4736	78130.3868	52273.76389	123625.6503	47056.65851	53176.42588	83435.38688	116309.0338	107831.6871	106322.5997	35921.22768	117015.7355	145431.3472	51908.63829	96974.65946	99203.3115	48209.13141	74459.59697	47244.66943	84179.62465	85395.88558	97301.77097	38380.14775	13958.38574	90980.24975	143083.1195	194955.4946	85639.59721	320183.0204	29595.69442	59328.99676	138730.2866	153260.221
PE 40:5; [M-H]-@7.26	199971.0154	133470.8376	128188.1418	224592.9121	66131.29948	45414.46021	158460.9436	175948.6114	168098.4387	154204.8884	80305.17612	239231.4266	28307.98069	51419.55195	181246.7388	185423.8327	167876.7781	375769.2866	173475.0784	209326.6895	221396.5885	187900.4859	145398.1199	46056.80285	207949.7455	160647.3194	364729.4374	344431.5934	714707.131	156614.4652	311233.1106	272393.0188	286194.8395
PE 40:8; [M-H]-@6.00	46388.7281	59141.29783	42624.02498	67094.0539	63226.95149	15792.29279	49344.46954	31804.71737	56967.60883	47345.35635	28727.07971	93551.54217	40818.95695	88449.30342	96001.96276	26586.14104	22129.84782	65712.43871	55144.52232	71428.98986	66078.88921	69027.73954	15743.59901	4810.511843	107137.4393	72118.57614	277341.6452	55850.18997	687276.5907	8198.12237	98356.73557	98401.15374	66819.52328
PE 42:1; [M-H]-@9.00	1660.855116	3389.265034	560.0656246	2361.038689	3789.002478	3311.930658	2833.395098	2060.321212	6838.971519	3043.668396	380.9152466	5545.163474	2187.600187	3670.145914	5954.50345	2058.07866	4118.167069	5619.429472	521.4195085	1412.912663	995.4668719	4028.134893	1134.212725	1549.523628	4555.072364	310.5731614	18485.63881	7564.018896	12694.23764	1362.138397	5833.503086	7192.808444	3667.042516
PG 32:0; [M-H]-@5.73	37736.31672	2529.348067	3672.273925	2321.668887	4886.131421	27626.77254	7958.111228	3746.508138	8259.664995	3782.721045	1123.612211	25006.90772	54946.21337	4367.010084	831.5145992	2170.246165	2952.972838	16310.96758	3042.887217	3554.863112	6363.302338	5025.264288	4035.262376	1251.585134	452.5341965	3018.234312	59287.56472	3555.07841	8602.108201	54154.187	2983.635251	1948.141187	46331.46634
PG 32:1; [M-H]-@5.23	22997.219	1745.51263	2784.013224	3099.729582	4695.283017	3620.839924	7420.559535	3646.083372	11876.80169	1466.275138	739.0015657	4586.711535	29099.20994	2842.449095	1767.146936	2922.436238	983.6309852	4680.54485	899.6897915	1299.567686	1042.831848	1071.727156	3730.39376	671.9623546	283.4358644	2655.220616	32677.15911	1336.822097	1714.359386	50550.67678	3644.943236	2176.030528	32086.56429
PG 33:0; [M-H]-@6.03	13645.0878	20368.92697	13224.46497	16024.39838	11763.82389	28406.41821	26596.34139	26957.00861	19117.04082	12942.08766	10948.83257	10674.86217	14775.71411	8651.788387	11016.23823	21522.15022	15346.69422	25155.14806	10915.44692	12762.61864	23202.76732	19212.36562	20299.80391	18499.38174	7224.147443	15235.70316	24647.88546	14187.71168	21711.47815	12128.08262	12256.02881	18223.45778	21673.92098
PG 34:1; [M-H]-@5.80	334119.47	42872.89857	26303.43557	31329.6166	39478.40831	173802.3811	71341.7218	42187.79681	136793.7134	14709.22728	13345.35268	195968.1791	619021.6053	34753.84358	59512.01855	10090.48138	14995.17571	75971.40986	8004.613096	57305.42894	40760.48125	11054.07115	1906.065291	2964.031088	24621.43779	34380.10415	583786.1845	26368.52449	37498.35244	228846.9794	47932.57707	70492.07684	334788.3164
PG 34:2; [M-H]-@5.31	71299.25006	16127.99317	17800.27774	26971.69799	18856.47274	28833.64673	22189.35618	11908.68289	44644.81052	7422.165724	6020.046462	40785.40487	119692.9844	34082.48449	22075.84041	1888.317845	6699.067708	14834.51307	5984.172675	7533.671101	14735.0563	10193.76293	2478.217091	2088.291612	10654.68665	13973.6079	92159.82991	6128.2807	8574.829261	43946.77328	16629.51766	15538.81964	88056.20185
PG 36:0; [M-H]-@6.87	20325.81864	60358.19045	35274.36306	52750.09626	20622.08957	22912.23822	25083.14724	64206.74895	77306.81718	57800.55285	21459.48241	22051.03359	22433.56122	27112.81083	37399.44761	42643.35983	28447.97881	20542.485	32912.68384	40304.46395	31593.05345	67863.35171	40689.67333	52777.94085	33433.15903	39338.66329	16694.54793	25724.66355	24594.5861	55695.7319	43864.46934	30512.93049	39501.31986
PG 36:1; [M-H]-@6.13	333403.8233	35393.29818	18125.31387	27070.87151	26771.8256	139733.4111	60207.50914	30667.73928	52387.20826	15166.89206	12343.6093	85630.56366	539168.448	35134.05931	22533.48725	20025.44656	12973.13627	49994.16248	8415.062331	33342.05738	23159.22531	16542.55323	8211.581305	7170.734893	15642.54481	40217.88068	230596.4434	11243.21523	20207.0181	215413.8106	27772.43197	30624.18179	140728.4951
PG 36:2; [M-H]-@6.07	506887.423	90975.0351	85740.85398	76952.04965	161371.516	275686.3108	314328.7902	62472.28611	233988.1377	56821.98012	58268.94699	344467.4049	869336.4501	79225.65871	135179.8333	36687.4033	54413.57499	214819.3306	45473.56354	87215.6991	111875.1297	44109.95981	12700.55875	7573.569632	59016.31159	71336.58991	526767.4267	51648.03199	55047.78528	104773.7171	151056.7995	123618.7421	596335.0543
PG 36:3; [M-H]-@5.28	313580.3738	24270.65347	34863.47387	75633.98223	118486.0368	110879.0942	32712.94123	19203.87425	58146.35174	24789.96755	28403.87244	68304.02978	208195.1777	39888.49186	17684.62794	18742.83461	32693.9359	67606.36512	26244.99321	38529.69937	43314.06259	11197.44204	7572.172202	4136.479232	19576.43823	47644.34855	53711.3697	11191.32025	62306.68477	9520.55312	12769.95951	52152.35704	134127.5037
PG 36:4; [M-H]-@4.85	17655.66923	5996.182282	6020.622957	21680.57947	16140.49018	8920.646899	5580.509264	4362.274981	30359.54592	6014.642263	3371.113264	14964.40762	30316.96431	10582.7994	7090.728335	2243.984615	11220.51539	27867.76643	8937.689251	13675.76782	14025.80338	3507.35837	1922.41088	1071.217445	6880.196407	8635.170686	54914.33208	5942.426346	11418.52837	2315.018792	13735.74435	11801.77648	16032.56556
PG 36:4; [M-H]-@5.39	56645.88574	5216.938914	3704.600996	2312.702869	4637.437006	24726.94376	5354.020643	1780.711984	10945.25664	7348.185796	886.5016422	23543.01552	63687.09941	5151.358559	5222.007615	1598.278625	3353.512858	10356.14398	3433.0149	3978.443159	7924.328759	3698.585147	1985.931925	2342.804719	3894.980053	8646.268966	30659.3048	6020.134868	9010.318478	16246.06511	8127.017764	3950.784342	48289.55788
PG 38:4; [M-H]-@6.03	66573.05538	19939.05247	17815.04932	14892.04909	17439.7459	77697.02528	36867.8387	11655.19183	34253.95952	18015.83101	10510.13926	68102.49715	157818.5646	22414.26704	39261.88232	12537.39045	12476.76317	23360.34378	9493.825124	17607.07476	32890.38079	13489.99007	1085.652494	1689.418441	17387.90731	49018.57176	100205.8248	9723.093384	30256.60242	46455.41268	34447.15904	32086.69464	105017.3273
PG 40:5; [M-H]-@6.04	22597.30973	4969.303321	10567.5608	2390.885973	1019.134335	11217.55094	2259.130703	1514.2537	4266.387007	4831.602416	2798.176493	10674.00032	23830.91578	4113.104979	3968.022877	3323.673224	3292.611993	2486.386528	3495.683702	5305.687972	8618.217923	2577.54698	1348.3316	4259.279571	587.1110545	4730.229084	11127.18665	2084.402618	5232.762688	56184.67979	1297.089044	2538.266327	22633.72317
PG 40:6; [M-H]-@5.58	38977.96093	10116.17161	2706.486242	14320.92412	11476.9232	8821.717474	5207.219749	4206.990515	9486.185098	11407.92705	6586.008826	9913.485815	22749.74291	4268.378763	5876.079456	4783.807856	2602.664533	9010.671998	1907.705257	13919.54944	11319.68006	6444.187073	4104.586451	2759.060661	10276.42002	5662.317065	49649.11383	15140.23899	9744.422885	55773.24303	4095.849921	16506.4778	20680.60952
PG 40:7; [M-H]-@5.10	44884.99457	5689.269628	12283.72676	11915.9453	33086.79913	10048.02993	8569.801109	2033.092684	11325.5791	3984.211311	4941.698129	32659.70957	30647.06997	15121.75845	10240.45672	5547.290934	6704.652243	20630.06092	5713.398678	15438.78025	16807.00279	5737.631471	1998.312269	1821.365939	5377.610481	5460.861353	71225.95419	14595.47715	17706.02026	53278.21045	12451.2175	7894.538611	18781.26266
PG 40:8; [M-H]-@4.56	10387.90479	1800.345834	3643.875641	2714.406991	4337.081691	7990.761489	348.2648775	1586.739254	9167.784116	5187.692087	2832.06473	9803.429427	10848.62043	8284.451045	4750.999589	2216.206655	2651.008732	8682.002001	7109.311259	9666.795307	2778.353268	4621.875637	694.7790657	2663.607878	1987.120809	7122.898157	8995.512444	3920.155524	15562.12251	3927.635487	6536.545093	1388.277844	7982.865107
PI 34:1; [M-H]-@5.66	16962.41493	36343.645	55528.5217	52917.6554	47427.03954	27774.37428	28202.77352	35571.78678	41198.07391	22874.46608	30090.97086	55042.29419	45721.16981	56484.28456	53709.88019	23829.27983	47166.81234	78712.22679	18049.55752	81395.49785	48407.83322	20587.70565	28739.80156	5230.179856	84782.38881	23615.42302	73095.94397	56679.4707	491538.4644	36980.23174	82801.63298	65229.77839	40550.87626
PI 34:2; [M-H]-@5.21	21858.92886	68501.37988	24043.43497	60042.49848	27805.16221	11882.76437	22335.55695	43944.47333	34409.71131	20068.66773	22489.89086	39432.46248	25609.89011	47058.39409	45536.78848	20827.32452	47811.40856	17951.81942	12575.13169	28006.53565	28550.82554	22848.42216	8223.141129	8792.022729	38472.70085	26764.14162	28586.08733	15353.43644	270127.4079	9989.476373	52922.05529	46395.42276	34626.35125
PI 36:2; [M-H]-@5.85	114913.0797	135365.9111	76457.51649	195948.655	108659.5143	81210.51561	56451.55123	73704.45502	86472.43467	58088.87326	42573.5474	126048.1376	87936.36263	140579.8476	103006.5572	49325.46734	159568.0995	115829.9454	107023.8814	147763.9595	118772.8926	43068.21582	52068.76371	10307.2856	69871.12262	141849.2379	126881.35	60384.74435	553488.9773	32740.7451	99738.73449	100216.9335	115039.296
PI 36:3; [M-H]-@5.36	39186.58319	50700.99966	31392.47619	44790.05424	38224.39016	33363.58308	37247.85473	55416.36126	36150.32137	32836.61364	23146.36601	43715.09478	32073.4556	31635.55804	55632.60709	23507.51949	25817.67557	29478.90097	21407.84598	52170.502	48623.78233	49741.65836	30238.06451	7996.342734	38537.91048	52477.15883	64008.50663	36866.24272	194584.8833	8469.002129	36256.98111	57834.8071	59918.85948
PI 36:4; [M-H]-@5.20	29135.41321	77081.2455	42404.26142	71201.20361	77643.92186	27316.37462	36353.26748	73992.59158	65081.91646	39239.41053	34274.34371	59849.32566	56189.97433	59137.97133	86455.74869	21121.06816	34858.14418	25398.93448	11635.22802	58385.78565	79265.49192	59087.62565	23986.86722	8797.930176	103317.6048	35051.60313	45295.26473	54377.67937	221991.1429	24555.5488	63706.86614	79664.48577	68446.34712
PI 38:3; [M-H]-@6.05	117249.8399	228934.481	314671.4391	508721.3048	216126.5022	101148.2604	207366.3436	508630.3451	213057.2828	214697.7007	135345.5818	357550.4528	325878.0171	226363.2529	578883.6115	280606.9677	208560.238	328933.9267	214677.666	354517.9101	274336.4277	333345.6588	119112.8609	26696.59227	338830.0601	361778.1855	337122.0545	290033.0411	484651.6926	41744.91956	442374.2215	233745.4045	358480.7558
PI 38:4; [M-H]-@5.84	279385.4642	497992.6329	475414.9832	812476.5509	556208.3868	288195.6283	260834.0339	760850.6508	582592.202	380305.4105	312277.9217	586683.5854	473042.1258	592577.4415	756140.9718	328848.5852	381918.925	333605.3225	370320.077	764727.1173	767005.5559	497729.9727	285785.1378	65574.86814	778197.9565	652873.4136	537267.8824	591559.8268	1397457.401	181332.3385	691330.0738	512784.689	382043.9654
PI 38:5; [M-H]-@5.32	20902.91554	61502.54603	35086.03032	42389.88222	38454.11255	11931.95051	38911.42921	43855.90162	52282.02433	34827.31365	20291.56887	52625.18174	40216.74032	37000.20639	66230.96346	30792.33696	17716.90404	20730.9981	22578.75685	39386.91423	58866.52913	93837.16498	28774.20924	5657.443976	44457.14415	46111.1112	72933.64044	31110.46157	76548.70634	17173.00262	56216.46396	56526.51815	53961.13918
PI 38:6; [M-H]-@5.05	8631.052974	23117.88681	13180.16093	6469.400611	14718.64492	7070.37119	4777.473011	8198.801881	12262.14208	1579.427269	6908.957906	11973.62863	13739.58249	15986.50305	18683.80088	2467.443014	15446.38353	7168.567546	5711.140896	7555.459047	18052.91458	5803.953761	1496.062293	3311.952484	9351.584846	8567.049851	16174.82829	8392.349829	24881.29197	11508.78301	13064.82272	16455.95357	7632.37674
PI 40:5; [M-H]-@5.97	5572.895143	16670.38031	18956.50997	39200.77375	19700.28515	10302.0987	12980.99824	36234.76635	22395.69091	17584.26617	6177.918343	21184.88038	18194.32568	25170.27204	32738.64537	16851.7091	7199.298802	8538.973892	5963.373776	32284.87789	20776.31238	27965.99692	7764.56198	3379.755921	39630.63663	26579.0143	20768.86736	27964.46248	47349.94409	8836.872795	38887.43216	13770.48519	23686.88844
PI 40:6; [M-H]-@5.76	12706.69609	44834.88221	32895.41604	32138.33197	45157.29151	17729.95589	10614.04316	15150.30927	36952.37233	19323.13776	20232.68678	23215.04535	31140.15131	34304.90213	39795.88239	3036.572432	67307.98612	15947.81741	20865.84408	34418.61508	42143.25182	16029.78022	9565.338341	4298.187792	26085.66285	24906.96234	29251.78162	29357.59669	96459.88627	6499.445312	53790.43083	21163.65972	12924.04553
PI 40:8; [M-H]-@4.77	361.9431619	572.3067268	1600.012019	431.4380878	1535.06343	1935.181803	1205.816539	2745.795472	3076.563071	3517.070236	627.4955724	342.0009367	2118.256997	1115.805666	987.2331083	1960.429187	634.996251	1128.442569	42.18652465	229.7821156	771.6710591	2342.111004	284.5627081	817.772446	2701.508992	2015.153052	6708.321853	1467.918934	3821.373264	381.190868	941.068564	2186.102693	391.6106711
PS 34:1; [M-H]-@5.79	14699.44338	8380.695706	8370.486434	7791.478888	8799.844131	10982.26185	10290.871	5612.912637	10918.41566	8997.82393	5687.00383	10932.76976	8751.219096	7965.721247	14867.46898	3862.503297	6111.126754	14853.79283	5651.861146	8985.960627	2869.94765	3457.537402	4549.945222	3385.930429	17024.89429	6914.143721	25013.42992	12545.88368	46204.2664	8170.100328	14328.27993	27738.27485	16466.88756
PS 36:1; [M-H]-@6.67	120521.5973	90748.75775	62981.90311	101288.0199	97894.40028	76149.92964	69670.23117	85906.57546	139830.6407	64953.3653	47806.49991	187303.3176	108802.8197	69360.67857	104550.9049	62427.17505	40910.20348	131977.6879	41008.51403	81224.12511	72250.54356	67425.61018	3765.528432	21793.97386	130669.4921	78937.90804	361011.7107	115655.6299	309323.1429	58867.42737	114843.5267	264321.1096	159725.1435
PS 36:2; [M-H]-@5.92	40009.96055	19905.57466	23880.6594	43869.58641	11377.0257	24910.88399	22083.1715	15643.89943	26613.60514	19086.78481	12080.63185	41409.71088	42855.92662	23539.2083	24117.26951	23547.72085	21401.57798	78178.26334	13039.42939	26356.30082	21925.12052	26241.49952	15893.31105	4556.21981	28760.48029	27618.58987	107856.0408	37143.68043	258106.6237	8410.730367	35380.70572	48632.9261	46957.99569
PS 36:4; [M-H]-@5.31	3506.08457	4146.501362	14931.73401	12274.47901	9702.749505	5749.747366	11844.34979	1870.421571	3719.844434	5414.728212	4866.766765	13888.1969	10164.02802	11050.44571	15047.18373	5392.726806	9006.408427	16615.85595	4145.413267	13824.65899	12982.95577	21944.57743	5644.847298	3625.532721	17055.98551	4267.655511	24843.66286	14769.33999	24865.72691	10044.44823	8440.764028	17302.3727	5052.904836
PS 38:3; [M-H]-@6.19	15568.15163	20598.45362	23250.77829	47775.9769	15971.77827	18714.48284	18234.97188	19653.65051	12093.46874	21463.36898	12024.56972	38285.5854	20228.96334	26854.82163	21426.11421	31776.85484	19995.12773	81486.81294	17763.70221	24574.07515	17505.54067	25569.54441	9269.815526	5571.142325	21564.31762	22536.58033	60884.01135	55065.68787	149748.5533	14497.58181	52318.41005	68527.50679	23651.31919
PS 38:4; [M-H]-@5.94	40611.55655	60726.9584	50434.87271	117305.8465	101601.9955	43034.00352	75504.62957	69388.82703	68901.798	59062.90836	47387.77567	97523.93433	75944.98704	62781.45546	107833.985	105440.8784	58185.04504	203287.516	55825.36702	90512.90801	75813.56651	110444.5153	28661.53397	20752.79429	132304.4433	82745.9886	216719.7169	130008.7539	1382214.244	68372.66064	62543.24009	154960.2837	96877.69958
PS 38:5; [M-H]-@5.47	15570.77216	3066.127187	8880.769912	11698.07028	9156.665844	3709.289141	10206.42409	4145.606449	11126.04397	3954.005969	6550.044969	11562.68695	11424.44734	17603.50069	14619.63871	5875.306855	7385.952998	23314.05153	5833.846351	17433.94124	8650.283872	16013.37974	3070.756096	780.2533302	14847.48355	14325.54576	32595.55514	32640.90503	64319.86435	3487.495787	10509.16004	16006.9453	13706.80354
PS 38:6; [M-H]-@5.19	3974.369819	8938.544554	15196.81558	28510.98631	15378.82115	4453.69971	4843.961328	5006.901436	10632.33428	6376.296629	7951.129646	14753.38579	10753.18952	38696.37817	11588.49408	6002.057484	18348.13869	18684.54301	6496.056866	36081.56674	19552.34431	16431.34466	10330.82938	698.2501998	21465.89661	4536.913975	22955.67464	23810.95906	17165.68154	10879.3129	22935.87485	17490.56316	6034.519845
PS 40:6; [M-H]-@5.85	28119.89908	56283.01044	75784.86809	107651.2167	54705.61397	51062.80608	41831.6814	27130.16437	58133.10286	37406.92646	27112.23827	101976.3964	68305.77468	72048.25904	52184.55775	17629.69742	92015.14747	245434.4443	29607.56102	85305.04123	67249.33852	29408.95637	51633.9538	7837.017569	99828.40846	27168.27202	116609.0945	102944.453	1002311.024	34344.02371	128327.4814	110465.9128	46953.67432
lysoPE 16:0; [M-H]-@1.70	90304.33285	143381.7648	53659.15994	104834.5965	51426.69643	31416.10477	58893.44277	63566.4464	189453.571	71040.55971	58877.10706	96657.62584	152645.1549	109248.6891	96731.68817	52580.10838	85780.01863	32300.90583	72391.57553	130471.2348	167826.7983	93359.33731	42026.14796	67798.0668	58935.25678	88854.19579	191350.5614	166558.0745	76115.28752	39573.81575	164613.2393	178778.4658	132339.4817
lysoPE 18:0; [M-H]-@2.47	441267.3792	282070.6022	133343.1225	279850.4217	130596.2089	114411.8093	180910.9092	137244.4863	530288.1814	243930.6149	127860.6096	330783.2162	486563.4727	290240.6521	247101.6003	121431.0869	177544.4854	156109.1007	194380.5397	311472.6986	372579.3148	156457.3952	69824.43051	106312.7299	101994.0747	339909.6879	731385.3569	286012.7248	435680.6019	46448.55929	481982.5165	379809.8915	375277.6481
lysoPE 18:1; [M-H]-@1.83	230735.2112	233161.0899	83918.31543	99088.00062	64495.80815	80242.76454	203919.3974	157646.3346	358362.7332	146557.7589	137665.9703	244659.5816	416801.3346	125612.8681	168537.3057	53827.02495	95572.34953	37309.98168	155248.8686	124503.4326	193152.4234	125479.3252	38206.28338	52332.22085	98024.02854	260015.2806	346470.2391	75506.34245	107857.3574	18090.66231	95495.10171	449642.601	248648.642
lysoPE 18:2; [M-H]-@1.37	240721.0531	134446.9592	53005.17043	116572.1101	32713.23953	24325.73113	63321.67415	78803.81917	206226.2474	189211.2202	97378.11374	157682.5941	120610.1959	150730.6977	192612.6575	59803.24812	106900.8042	55806.4179	268598.9481	90689.99834	155849.9915	153477.8512	25430.00625	27143.08437	55766.82829	204350.9391	263147.7936	88281.5092	40026.90322	6573.914558	206966.6297	285733.3621	177962.1972
lysoPE 20:3; [M-H]-@1.61	18539.81588	10895.9364	9535.744815	14637.73087	9761.131102	5653.599178	11212.05981	15623.74717	16875.76562	26898.2327	10418.5221	22008.9697	16435.92088	11629.22027	16228.56667	28392.32391	9569.993485	7699.344594	15766.38871	8186.248202	15527.04342	30018.17457	5600.088706	8121.581249	6629.971809	25606.65507	38881.69959	19140.44637	3650.880874	882.4996294	6120.955122	34957.93446	31950.24786
lysoPE 20:4; [M-H]-@1.33	160550.2208	192345.6332	75575.25957	107090.324	66079.1949	55542.70035	112647.8578	126934.3767	178714.0109	270289.1523	76284.48291	180821.8417	147798.0414	161361.3755	183290.3249	146448.5749	164504.7314	69652.62154	188957.401	117246.3723	203799.0711	268095.9325	77654.2412	81501.16632	94379.28567	163284.779	454437.6361	158489.2854	102551.8097	10717.80824	173045.9211	357446.7833	212358.5505
lysoPE 22:4; [M-H]-@1.87	35870.18597	13373.73445	6989.639611	11447.1834	6439.355131	11657.03277	14359.13808	22206.59262	30409.24749	14592.15643	7455.467923	15151.36245	13965.37132	9050.794777	12033.40775	17489.91901	21887.93219	11786.94544	4110.024841	14977.74747	15444.81055	8700.481148	8045.030854	1620.527554	3538.79307	22414.85083	37232.94947	7089.27151	30151.61542	1352.509405	20042.14952	16982.15376	30165.98958
lysoPE 22:6; [M-H]-@1.27	42421.25602	183502.1199	95454.08422	59822.36672	71657.66889	29201.82794	52541.05083	59549.66151	236150.0588	182460.2335	50444.07538	157781.4512	73366.79705	247956.6369	167937.7853	49499.08274	161037.0523	37268.65621	130140.8575	100619.6897	155284.4587	170141.2407	67236.40621	108046.5369	79218.87829	91053.28992	281551.0454	89805.83634	61374.39319	17266.98461	297961.6849	169945.0169	62106.49806
plasmenyl-PE 32:0; [M-H]-@7.12	30000.90868	21238.46416	16580.56398	11130.92088	14059.14654	7069.874106	9871.881405	35168.67652	17299.80867	27710.80443	12232.83531	11130.99194	18627.207	14590.14195	17041.29867	14060.96513	13531.00491	25672.90466	8910.232137	14657.96147	28467.82701	16416.43744	15585.69898	3437.045954	6324.067711	39228.08877	28656.36516	21257.64844	19639.59659	11392.29599	10889.89947	37742.79047	20185.5904
plasmenyl-PE 34:0; [M-H]-@7.28	61883.26798	136239.8729	73571.72049	98105.38918	62236.38971	41983.07886	38697.32161	146080.7407	86884.70351	102703.7878	51394.8431	59796.82201	73179.00449	84682.68312	89768.1335	32797.87298	48803.31383	36810.61226	56585.22504	68614.61557	92517.42764	71957.35308	47390.75802	36868.98659	53505.15907	97184.68443	105671.6852	73034.72013	190859.1602	76949.98704	73862.44336	103429.3212	70580.9795
plasmenyl-PE 34:3; [M-H]-@6.40	32501.94007	13024.32869	14683.36251	6705.8492	7131.446628	2496.673047	10048.36333	12812.60153	17405.48165	12235.22894	15797.82627	17252.91701	19797.20451	12002.93625	6358.076017	15833.28771	1276.103529	3102.196298	11507.80757	2578.373878	11712.76906	9659.891001	3247.436669	2525.710959	3063.255286	25183.65286	9415.669469	2288.039011	13210.60733	3703.771301	4526.733109	10499.77154	17667.68107
plasmenyl-PE 36:3; [M-H]-@6.93	426081.5322	779957.4551	308784.8362	802232.3681	295341.7245	110891.7833	422673.3527	698454.6632	696383.5157	525788.4737	214600.1249	517570.9934	439770.4659	434277.0042	644656.8073	349287.5686	352304.5275	210349.6681	506651.2055	337528.3767	708570.5371	676813.1078	109826.363	210955.5739	260348.4151	501445.6288	432807.4721	249859.5388	513433.2177	102471.4278	718781.1302	676664.4595	463658.6273
plasmenyl-PE 36:5; [M-H]-@6.36	38535.16415	42098.72017	12346.33213	41186.69906	13741.00158	1414.349922	8756.733667	58268.72027	61917.01479	46714.3967	12587.0567	27575.83023	26381.09367	55910.43814	51157.72354	15353.13082	8759.09709	25608.10988	32481.50624	28980.93918	47470.52036	38819.41678	6225.821309	8172.181137	18505.93368	73838.80525	58313.43959	22015.17084	103971.8929	4861.880057	275574.6307	40722.98662	29960.79382
plasmenyl-PE 38:1; [M-H]-@8.31	47902.11683	39739.65191	20957.03364	51934.63849	24483.06933	12983.01074	22841.25089	53070.78406	43974.8791	41964.52283	25995.22881	26815.92357	36256.52564	25662.93494	45036.35332	27484.38276	36581.49821	25707.43968	43544.70165	60512.77847	51447.50755	29266.19374	14097.59417	8002.179753	19579.30927	49509.82739	61227.1631	21746.48906	95263.60638	6977.037576	62746.62316	74300.28232	30467.06324
plasmenyl-PE 38:2; [M-H]-@7.94	73237.23914	96954.84828	34036.91231	132963.2774	46433.57439	30214.67816	48015.8099	70405.31474	72806.37856	55443.99359	45110.99545	81430.52658	61652.59115	73927.56673	73614.095	33678.62369	79170.69068	70156.88709	96155.2779	53239.24119	119132.2829	66477.72687	15265.16743	15848.03785	38408.25863	76142.73143	64937.78606	38661.92874	343825.6919	4406.801206	153895.2363	110727.9274	105918.5322
plasmenyl-PE 38:5; [M-H]-@6.78	1515444.033	2369976.496	808070.0186	2025920.897	841153.0619	530041.5875	893782.2041	2131410.22	1421332.819	2610785.858	678503.0697	1573010.932	1394570.841	1472191.975	2013020.795	1128086.047	1120685.244	897967.5496	1239754.32	1565223.62	2402689.347	2134284.996	488264.3092	616329.9736	703902.8582	2113683.596	1694826.9	1049949.962	4220662.544	210976.2325	2458862.681	1951587.575	1877236.659
plasmenyl-PE 40:1; [M-H]-@8.74	15609.92531	21096.45479	8136.01658	16917.90153	9004.036008	4624.363227	11023.24996	14428.01692	18675.84186	4734.646329	8093.066024	18052.78597	13200.31748	13368.06225	13692.91124	4231.239146	11221.45074	17615.78458	23444.99772	10793.04065	20710.8208	8712.085722	6287.35333	2379.963894	5803.294205	3898.844954	17396.78335	10142.57984	26246.58797	1209.47861	11563.32609	21032.89513	9695.034698
plasmenyl-PE 40:2; [M-H]-@8.34	34516.14742	48499.06533	19306.93723	42548.37049	23658.82318	9260.899094	22413.70837	23005.68541	23523.96565	20594.75883	22121.76268	38008.52771	27647.02974	35723.90193	34568.92498	13343.16819	33535.2382	32602.50608	34700.37306	18665.60559	45948.03947	39712.68722	19881.91652	7715.716453	15714.83961	39615.78074	49516.93136	18423.05478	157934.7289	4333.932477	30896.72643	30934.22733	35921.85189
plasmenyl-PE 40:3; [M-H]-@8.05	104317.3862	88734.44972	38969.59105	163013.5021	30296.67777	33071.51114	55480.11267	145810.278	93755.83341	141128.5327	56419.16977	107178.5981	59552.98642	52843.12292	125628.8582	103458.7819	65115.57285	63731.20337	98832.52028	101861.5423	71312.69033	157847.1787	45425.05145	39634.1946	77701.06391	134512.7645	127391.8894	68569.0385	903255.4874	32080.66499	79367.43032	149419.819	107877.5515
plasmenyl-PE 40:4; [M-H]-@7.81	442465.1238	519156.8303	207366.6522	397971.6321	231812.7962	158259.4608	228705.3597	584434.6668	520757.8459	469401.2281	182471.0072	373032.5767	343048.1427	396788.1652	449315.2241	224714.5164	257800.8485	251264.6052	321816.4259	427993.1439	658764.3839	462328.7321	178480.0283	156511.0671	293965.3303	618035.3466	571279.8643	327243.8322	4102237.001	55852.02412	409031.809	620811.8852	463364.5523
plasmenyl-PE 40:5; [M-H]-@7.53	288201.7622	377565.4575	126825.3492	542451.5571	192188.2156	97092.49658	193389.8743	614316.9287	424310.1713	591499.247	118700.4077	313002.3196	215465.7272	269866.4447	396096.8436	320847.0837	165992.5476	194089.8996	296576.1469	298090.2532	343714.3864	556801.9438	114078.3231	140644.4334	151684.7021	600167.5677	346595.7979	334195.5086	1143432.995	48491.07624	677675.019	332425.2935	513607.5582
plasmenyl-PE 42:4; [M-H]-@8.28	86988.67254	65976.60803	52404.22203	45545.49416	57767.42333	46472.76544	42629.27989	129907.6855	107735.5046	45888.98073	47060.26746	88107.47153	75204.10999	95190.86746	54683.5403	38756.07593	61659.40356	24939.62281	66536.88801	107337.6468	109472.4383	67480.68482	56425.82575	29556.57767	85976.33026	77919.49928	100899.7903	48196.98882	137412.3497	32653.57982	74177.74612	136224.1729	67009.99586
plasmenyl-PE 42:5; [M-H]-@7.94	69542.65521	87123.47691	34237.77848	64014.64485	81408.77505	11126.47107	42678.45304	92775.56595	64683.65991	94789.29612	62570.09855	67963.81348	56643.49966	48291.79281	75900.9628	55293.20504	59357.58224	34229.8288	59627.39785	94059.24368	89692.79198	93982.50062	30776.23647	24443.78315	43044.76672	98685.4271	117822.2627	53828.03125	226772.3662	12757.49574	102684.3879	119694.6029	54640.11207
plasmenyl-PE 42:6; [M-H]-@7.81	148701.8092	170802.629	69031.14874	40382.04306	32581.24933	16037.73773	20263.95589	31389.98637	157801.7501	70447.43888	44633.28664	55276.62342	122641.1679	168126.9435	78557.45983	17266.8863	65146.11698	34553.11521	122468.7589	67459.55824	134917.7685	67458.30193	24653.06912	27607.7223	43722.63944	151617.4786	49927.53491	95940.19666	132399.7885	2997.578374	170664.8684	78927.4905	37740.38484
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 70:5; [M-2H](2-)@5.92		5.92					CL(70:5)	LipidMaps Bulk ID
CL 72:3; [M-2H](2-)@7.51		7.51					CL(72:3)	LipidMaps Bulk ID
CL 74:1; [M-2H](2-)@7.51		7.51					CL(74:1)	LipidMaps Bulk ID
CL 74:7; [M-2H](2-)@6.12		6.12					CL(74:7)	LipidMaps Bulk ID
CL 78:1; [M-2H](2-)@7.97		7.97					CL(78:1)	LipidMaps Bulk ID
CL 78:9; [M-2H](2-)@6.71		6.71					CL(78:9)	LipidMaps Bulk ID
CerP 34:1; [M-H]-@5.97		5.97					CerP 34:1	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
PA 33:2; [M-H]-@1.84		1.84					PA(33:2)	LipidMaps Bulk ID
PC 28:0; [M-Ac-H]-@5.44		5.44					PC(28:0)	LipidMaps Bulk ID
PC 30:0; [M-Ac-H]-@6.17		6.17					PC(30:0)	LipidMaps Bulk ID
PC 30:1; [M-Ac-H]-@5.60		5.6					PC(30:1)	LipidMaps Bulk ID
PC 31:0; [M-Ac-H]-@6.38		6.38					PC(31:0)	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]-@6.29		6.29					PC(32:1)	LipidMaps Bulk ID
PC 32:2; [M-Ac-H]-@5.79		5.79					PC(32:2)	LipidMaps Bulk ID
PC 33:0; [M-Ac-H]-@7.06		7.06					PC(33:0)	LipidMaps Bulk ID
PC 33:1; [M-Ac-H]-@6.63		6.63					PC(33:1)	LipidMaps Bulk ID
PC 33:2; [M-Ac-H]-@6.17		6.17					PC(33:2)	LipidMaps Bulk ID
PC 34:3; [M-Ac-H]-@5.99		5.99					PC(34:3)	LipidMaps Bulk ID
PC 35:1; [M-Ac-H]-@7.30		7.3					PC(35:1)	LipidMaps Bulk ID
PC 35:2; [M-Ac-H]-@6.80		6.8					PC(35:2)	LipidMaps Bulk ID
PC 35:4; [M-Ac-H]-@6.10		6.1					PC(35:4)	LipidMaps Bulk ID
PC 36:2; [M-Ac-H]-@7.05		7.05					PC(36:2)	LipidMaps Bulk ID
PC 37:4; [M-Ac-H]-@6.73		6.73					PC(37:4)	LipidMaps Bulk ID
PC 37:5; [M-Ac-H]-@6.21		6.21					PC(37:5)	LipidMaps Bulk ID
PC 38:2; [M-Ac-H]-@7.76		7.76					PC(38:2)	LipidMaps Bulk ID
PC 38:5; [M-Ac-H]-@6.54		6.54					PC(38:5)	LipidMaps Bulk ID
PC 38:7; [M-Ac-H]-@5.68		5.68					PC(38:7)	LipidMaps Bulk ID
PC 39:6; [M-Ac-H]-@6.60		6.6					PC(39:6)	LipidMaps Bulk ID
PC 40:7; [M-Ac-H]-@6.38		6.38					PC(40:7)	LipidMaps Bulk ID
PC 40:8; [M-Ac-H]-@5.93		5.93					PC(40:8)	LipidMaps Bulk ID
PC 42:1; [M-Ac-H]-@9.50		9.5					PC(42:1)	LipidMaps Bulk ID
PE 32:1; [M-H]-@6.26		6.26					PE(32:1)	LipidMaps Bulk ID
PE 34:0; [M-H]-@6.86		6.86					PE(34:0)	LipidMaps Bulk ID
PE 34:1; [M-H]-@6.87		6.87					PE(34:1)	LipidMaps Bulk ID
PE 34:2; [M-H]-@6.41		6.41					PE(34:2)	LipidMaps Bulk ID
PE 34:3; [M-H]-@6.02		6.02					PE(34:3)	LipidMaps Bulk ID
PE 34:4; [M-H]-@5.76		5.76					PE(34:4)	LipidMaps Bulk ID
PE 35:0; [M-H]-@7.66		7.66					PE(35:0)	LipidMaps Bulk ID
PE 35:1; [M-H]-@7.22		7.22					PE(35:1)	LipidMaps Bulk ID
PE 35:2; [M-H]-@6.77		6.77					PE(35:2)	LipidMaps Bulk ID
PE 36:0; [M-H]-@7.94		7.94					PE(36:0)	LipidMaps Bulk ID
PE 36:1; [M-H]-@7.48		7.48					PE(36:1)	LipidMaps Bulk ID
PE 36:2; [M-H]-@6.47		6.47					PE(36:2)	LipidMaps Bulk ID
PE 36:5; [M-H]-@6.02		6.02					PE(36:5)	LipidMaps Bulk ID
PE 37:4; [M-H]-@6.72		6.72					PE(37:4)	LipidMaps Bulk ID
PE 38:1; [M-H]-@7.94		7.94					PE(38:1)	LipidMaps Bulk ID
PE 38:2; [M-H]-@7.53		7.53					PE(38:2)	LipidMaps Bulk ID
PE 38:3; [M-H]-@7.28		7.28					PE(38:3)	LipidMaps Bulk ID
PE 38:5; [M-H]-@6.53		6.53					PE(38:5)	LipidMaps Bulk ID
PE 38:7; [M-H]-@6.04		6.04					PE(38:7)	LipidMaps Bulk ID
PE 39:6; [M-H]-@6.59		6.59					PE(39:6)	LipidMaps Bulk ID
PE 40:4; [M-H]-@7.48		7.48					PE(40:4)	LipidMaps Bulk ID
PE 40:5; [M-H]-@7.26		7.26					PE(40:5)	LipidMaps Bulk ID
PE 40:8; [M-H]-@6.00		6					PE(40:8)	LipidMaps Bulk ID
PE 42:1; [M-H]-@9.00		9					PE(42:1)	LipidMaps Bulk ID
PG 32:0; [M-H]-@5.73		5.73					PG(32:0)	LipidMaps Bulk ID
PG 32:1; [M-H]-@5.23		5.23					PG(32:1)	LipidMaps Bulk ID
PG 33:0; [M-H]-@6.03		6.03					PG(33:0)	LipidMaps Bulk ID
PG 34:1; [M-H]-@5.80		5.8					PG(34:1)	LipidMaps Bulk ID
PG 34:2; [M-H]-@5.31		5.31					PG(34:2)	LipidMaps Bulk ID
PG 36:0; [M-H]-@6.87		6.87					PG(36:0)	LipidMaps Bulk ID
PG 36:1; [M-H]-@6.13		6.13					PG(36:1)	LipidMaps Bulk ID
PG 36:2; [M-H]-@6.07		6.07					PG(36:2)	LipidMaps Bulk ID
PG 36:3; [M-H]-@5.28		5.28					PG(36:3)	LipidMaps Bulk ID
PG 36:4; [M-H]-@4.85		5.39					PG(36:4)	LipidMaps Bulk ID
PG 36:4; [M-H]-@5.39		5.39					PG(36:4)	LipidMaps Bulk ID
PG 38:4; [M-H]-@6.03		6.03					PG(38:4)	LipidMaps Bulk ID
PG 40:5; [M-H]-@6.04		6.04					PG(40:5)	LipidMaps Bulk ID
PG 40:6; [M-H]-@5.58		5.58					PG(40:6)	LipidMaps Bulk ID
PG 40:7; [M-H]-@5.10		5.1					PG(40:7)	LipidMaps Bulk ID
PG 40:8; [M-H]-@4.56		4.56					PG(40:8)	LipidMaps Bulk ID
PI 34:1; [M-H]-@5.66		5.66					PI(34:1)	LipidMaps Bulk ID
PI 34:2; [M-H]-@5.21		5.21					PI(34:2)	LipidMaps Bulk ID
PI 36:2; [M-H]-@5.85		5.85					PI(36:2)	LipidMaps Bulk ID
PI 36:3; [M-H]-@5.36		5.36					PI(36:3)	LipidMaps Bulk ID
PI 36:4; [M-H]-@5.20		5.2					PI(36:4)	LipidMaps Bulk ID
PI 38:3; [M-H]-@6.05		6.05					PI(38:3)	LipidMaps Bulk ID
PI 38:4; [M-H]-@5.84		5.84					PI(38:4)	LipidMaps Bulk ID
PI 38:5; [M-H]-@5.32		5.32					PI(38:5)	LipidMaps Bulk ID
PI 38:6; [M-H]-@5.05		5.05					PI(38:6)	LipidMaps Bulk ID
PI 40:5; [M-H]-@5.97		5.97					PI(40:5)	LipidMaps Bulk ID
PI 40:6; [M-H]-@5.76		5.76					PI(40:6)	LipidMaps Bulk ID
PI 40:8; [M-H]-@4.77		4.77					PI(40:8)	LipidMaps Bulk ID
PS 34:1; [M-H]-@5.79		5.79					PS(34:1)	LipidMaps Bulk ID
PS 36:1; [M-H]-@6.67		6.67					PS(36:1)	LipidMaps Bulk ID
PS 36:2; [M-H]-@5.92		5.92					PS(36:2)	LipidMaps Bulk ID
PS 36:4; [M-H]-@5.31		5.31					PS(36:4)	LipidMaps Bulk ID
PS 38:3; [M-H]-@6.19		6.19					PS(38:3)	LipidMaps Bulk ID
PS 38:4; [M-H]-@5.94		5.94					PS(38:4)	LipidMaps Bulk ID
PS 38:5; [M-H]-@5.47		5.47					PS(38:5)	LipidMaps Bulk ID
PS 38:6; [M-H]-@5.19		5.19					PS(38:6)	LipidMaps Bulk ID
PS 40:6; [M-H]-@5.85		5.85					PS(40:6)	LipidMaps Bulk ID
lysoPE 16:0; [M-H]-@1.70		1.7					LPE(16:0)	LipidMaps Bulk ID
lysoPE 18:0; [M-H]-@2.47		2.47					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]-@1.37		1.37					LPE(18:2)	LipidMaps Bulk ID
lysoPE 20:3; [M-H]-@1.61		1.61					LPE(20:3)	LipidMaps Bulk ID
lysoPE 20:4; [M-H]-@1.33		1.33					LPE(20:4)	LipidMaps Bulk ID
lysoPE 22:4; [M-H]-@1.87		1.87					LPE(22:4)	LipidMaps Bulk ID
lysoPE 22:6; [M-H]-@1.27		1.27					LPE(22:6)	LipidMaps Bulk ID
plasmenyl-PE 32:0; [M-H]-@7.12		7.12					PE(P-32:0)	LipidMaps Bulk ID
plasmenyl-PE 34:0; [M-H]-@7.28		7.28					PE(P-34:0)	LipidMaps Bulk ID
plasmenyl-PE 34:3; [M-H]-@6.40		6.4					PE(P-34:3)	LipidMaps Bulk ID
plasmenyl-PE 36:3; [M-H]-@6.93		6.93					PE(P-36:3)	LipidMaps Bulk ID
plasmenyl-PE 36:5; [M-H]-@6.36		6.36					PE(P-36:5)	LipidMaps Bulk ID
plasmenyl-PE 38:1; [M-H]-@8.31		8.31					PE(P-38:1)	LipidMaps Bulk ID
plasmenyl-PE 38:2; [M-H]-@7.94		7.94					PE(P-38:2)	LipidMaps Bulk ID
plasmenyl-PE 38:5; [M-H]-@6.78		6.78					PE(P-38:5)	LipidMaps Bulk ID
plasmenyl-PE 40:1; [M-H]-@8.74		8.74					PE(P-40:1)	LipidMaps Bulk ID
plasmenyl-PE 40:2; [M-H]-@8.34		8.34					PE(P-40:2)	LipidMaps Bulk ID
plasmenyl-PE 40:3; [M-H]-@8.05		8.05					PE(P-40:3)	LipidMaps Bulk ID
plasmenyl-PE 40:4; [M-H]-@7.81		7.81					PE(P-40:4)	LipidMaps Bulk ID
plasmenyl-PE 40:5; [M-H]-@7.53		7.53					PE(P-40:5)	LipidMaps Bulk ID
plasmenyl-PE 42:4; [M-H]-@8.28		8.28					PE(P-42:4)	LipidMaps Bulk ID
plasmenyl-PE 42:5; [M-H]-@7.94		7.94					plasmenyl-PE 42:5	LipidBLAST
plasmenyl-PE 42:6; [M-H]-@7.81		7.81					PE(P-42:6)	LipidMaps Bulk ID
METABOLITES_END
#END