#METABOLOMICS WORKBENCH juliehaines_20230509_082933 DATATRACK_ID:4016 STUDY_ID:ST002713 ANALYSIS_ID:AN004398 PROJECT_ID:PR001681
VERSION             	1
CREATED_ON             	May 25, 2023, 1:01 pm
#PROJECT
PR:PROJECT_TITLE                 	Ranolazine induced metabolic rewiring improves melanoma responses to targeted
PR:PROJECT_TITLE                 	therapy and immunotherapy
PR:PROJECT_SUMMARY               	Metabolic rewiring affects resistance of melanoma to targeted- and
PR:PROJECT_SUMMARY               	immuno-therapy. We have found that increased fatty acid oxidation (FAO) during
PR:PROJECT_SUMMARY               	late stages of BRAF inhibitor (BRAFi) treatment enables the establishment of
PR:PROJECT_SUMMARY               	acquired resistance. Targeting FAO with ranolazine in vivo once acquired
PR:PROJECT_SUMMARY               	BRAFi-resistance emerges delays tumour recurrence. Single cell RNAseq analysis
PR:PROJECT_SUMMARY               	revealed that ranolazine diminishes the transcriptional NGFRhigh neural crest
PR:PROJECT_SUMMARY               	stem cell subpopulation, which is refractory against BRAFi and immunotherapy.
PR:PROJECT_SUMMARY               	Moreover, by rewiring the methionine salvage pathway, ranolazine enhanced
PR:PROJECT_SUMMARY               	melanoma immunogenicity through increased antigen presentation and interferon
PR:PROJECT_SUMMARY               	signalling. Combination of ranolazine with anti-PD-L1 antibodies strongly
PR:PROJECT_SUMMARY               	improved survival in mice, where it increased lymphocyte infiltration and
PR:PROJECT_SUMMARY               	enhanced anti-tumour responses. Altogether, we show that ranolazine increases
PR:PROJECT_SUMMARY               	the efficacy of targeted melanoma therapy through fatty acid and methionine
PR:PROJECT_SUMMARY               	salvage metabolic rewiring. Importantly, our study suggests that ranolazine
PR:PROJECT_SUMMARY               	could sensitize BRAFi-resistant tumours to immunotherapy, by modulating melanoma
PR:PROJECT_SUMMARY               	cell recognition and immune infiltration. Ranolazine is an FDA and EMA-approved
PR:PROJECT_SUMMARY               	anti-anginal drug with very mild side effects, and our preclinical data
PR:PROJECT_SUMMARY               	encourage its use as a therapeutic option to improve the two main therapeutic
PR:PROJECT_SUMMARY               	strategies currently used to treat metastatic melanoma.
PR:INSTITUTE                     	University of Colorado Denver
PR:LABORATORY                    	Lab of Angelo D'Alessandro in collaboration with lab of Imanol Arozarena
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	Ranolazine induced metabolic rewiring improves melanoma responses to targeted
ST:STUDY_TITLE                   	therapy and immunotherapy - lipidomics
ST:STUDY_SUMMARY                 	Lipidomics analysis was performed on A375 melanoma cells resistant to BRAF
ST:STUDY_SUMMARY                 	inhibitor vemurafenib (VR) and cells resistant to VR and treated with fatty acid
ST:STUDY_SUMMARY                 	oxidation inhibitor ranolazine.
ST:INSTITUTE                     	University of Colorado Denver
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:GENDER                        	Female
SU:CELL_BIOSOURCE_OR_SUPPLIER    	ATCC
SU:CELL_STRAIN_DETAILS           	A375
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	A375P 1	Treatment:VEHICLE	RAW_FILE_NAME=AG-L-1
SUBJECT_SAMPLE_FACTORS           	-	A375P 2	Treatment:VEHICLE	RAW_FILE_NAME=AG-L-2
SUBJECT_SAMPLE_FACTORS           	-	A375P 3	Treatment:VEHICLE	RAW_FILE_NAME=AG-L-3
SUBJECT_SAMPLE_FACTORS           	-	A375P 4	Treatment:VEHICLE	RAW_FILE_NAME=AG-L-4
SUBJECT_SAMPLE_FACTORS           	-	A375 VR 1	Treatment:VEMURA	RAW_FILE_NAME=AG-L-5
SUBJECT_SAMPLE_FACTORS           	-	A375 VR 2	Treatment:VEMURA	RAW_FILE_NAME=AG-L-6
SUBJECT_SAMPLE_FACTORS           	-	A375 VR 3	Treatment:VEMURA	RAW_FILE_NAME=AG-L-7
SUBJECT_SAMPLE_FACTORS           	-	A375 VR 4	Treatment:VEMURA	RAW_FILE_NAME=AG-L-8
SUBJECT_SAMPLE_FACTORS           	-	A375 VR-Rano 1	Treatment:VEMURA+RANO	RAW_FILE_NAME=AG-L-9
SUBJECT_SAMPLE_FACTORS           	-	A375 VR-Rano 2	Treatment:VEMURA+RANO	RAW_FILE_NAME=AG-L-10
SUBJECT_SAMPLE_FACTORS           	-	A375 VR-Rano 3	Treatment:VEMURA+RANO	RAW_FILE_NAME=AG-L-11
SUBJECT_SAMPLE_FACTORS           	-	A375 VR-Rano 4	Treatment:VEMURA+RANO	RAW_FILE_NAME=AG-L-12
#COLLECTION
CO:COLLECTION_SUMMARY            	All cell lines had been authenticated in 2021. Cells were expanded to generate
CO:COLLECTION_SUMMARY            	enough vials from a single batch before the start of the study. Cell lines were
CO:COLLECTION_SUMMARY            	cultured in Dulbecco’s Eagle’s Medium (DMEM) (cat#61965026, Gibco)
CO:COLLECTION_SUMMARY            	supplemented with 10% fetal bovine serum (cat#10500064, Gibco) plus 1%
CO:COLLECTION_SUMMARY            	penicillin/streptomycin (cat#15140122, Gibco). Cells were grown at 37°C in a 5%
CO:COLLECTION_SUMMARY            	CO2 environment.
CO:SAMPLE_TYPE                   	Melanoma cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Melanoma cells seeded in 6-well plates were treated for 7 days with a high dose
TR:TREATMENT_SUMMARY             	(5 or 10μM as indicated) of vemurafenib before switching to a lower
TR:TREATMENT_SUMMARY             	concentration of the drug (0,5 or 1μM). Fresh medium and vemurafenib was added
TR:TREATMENT_SUMMARY             	once weekly for further 3-4 weeks until arising colonies grew to confluence.
TR:TREATMENT_SUMMARY             	Fatty Acid oxidation inhibitors ranolazine, etomoxir or thiroridazine were added
TR:TREATMENT_SUMMARY             	once a week.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipids from frozen cell pellets were extracted with cold methanol at a
SP:SAMPLEPREP_SUMMARY            	concentration of 2 million cells/mL. Samples were vortexed 30 min at 4 degrees C
SP:SAMPLEPREP_SUMMARY            	then supernatants clarified by centrifugation (10 min, 10,000 g, 4 degrees C)
SP:SAMPLEPREP_SUMMARY            	and transferred to autosampler vials.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Positive C18
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (30 x 2.1mm,1.7 um)
CH:SOLVENT_A                     	75% water 25% acetonitrile 5 mM ammonium acetate
CH:SOLVENT_B                     	90% isopropanol 10% acetonitrile 5 mM ammonium acetate
CH:FLOW_GRADIENT                 	0-3 min 30-100% B at 0.3 mL/min, 3-4.2 min hold at 100% B at 0.3 mL/min, 4.2-4.3
CH:FLOW_GRADIENT                 	min 100-30% B at 0.4 mL/min, 4.3-4.9 min hold at 30%B and 0.4 mL/min, 4.9-5 min
CH:FLOW_GRADIENT                 	hold at 30%B while lowering flow rate to 0.3 mL/min
CH:FLOW_RATE                     	see gradient
CH:COLUMN_TEMPERATURE            	45
CH:SAMPLE_INJECTION              	10 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The Q Exactive was run independently in positive and negative ion mode, scanning
MS:MS_COMMENTS                   	using full MS from 125-1500 m/z at 70,000 resolution and top 10 data-dependent
MS:MS_COMMENTS                   	MS2 at 17,500 resolution. Electrospray ionization was achieved with 45 Arb
MS:MS_COMMENTS                   	sheath gas, 25 Arb auxiliary gas, and 4 kV spray voltage. Calibration was
MS:MS_COMMENTS                   	performed prior to the run using the PierceTM Positive and Negative Ion
MS:MS_COMMENTS                   	Calibration Solutions (Thermo Fisher Scientific). Run order of samples was
MS:MS_COMMENTS                   	randomized and technical replicates were injected after every 4 samples to
MS:MS_COMMENTS                   	assess quality control.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	A375P 1	A375P 2	A375P 3	A375P 4	A375 VR 1	A375 VR 2	A375 VR 3	A375 VR 4	A375 VR-Rano 1	A375 VR-Rano 2	A375 VR-Rano 3	A375 VR-Rano 4
Factors	Treatment:VEHICLE	Treatment:VEHICLE	Treatment:VEHICLE	Treatment:VEHICLE	Treatment:VEMURA	Treatment:VEMURA	Treatment:VEMURA	Treatment:VEMURA	Treatment:VEMURA+RANO	Treatment:VEMURA+RANO	Treatment:VEMURA+RANO	Treatment:VEMURA+RANO
AcCa(14:0)+H	551162	1324054	1102590	865979	48403	40240	35839	102455	219578	152148	26157	18387
Cer(d18:1_16:0)+H	10617731	10721419	12251212	10551254	5468307	5574701	5699701	5795637	7612670	7517176	7949905	7874612
Cer(d18:1_16:0)+H-H2O	12239765	11871830	13084614	11378077	6164436	6414124	5840795	3166573	7952406	8121713	8507646	7822874
Cer(d18:1_18:0)+H	7309093	8020509	7800055	7443064	3490223	3239946	3819555	3994354	1141109	1378476	1419540	1300555
Cer(d36:1)+H-H2O	6333213	7186016	7032195	6428379	2995444	2760948	2921766	3029460	821528	853010	864653	474596
Cer(d18:2_18:0)+H	876704	1922263	1030661	1287858	482337	493126	627953	483910	147321	116088	1171383	153884
Cer(d16:1_22:0)+H	2022331	2185713	2347649	2171080	889112	947538	835436	898550	596268	538650	545497	453708
Cer(d18:1_22:0)+H	11465884	15129965	16414360	12105242	5403276	5300657	7860592	5677502	3108012	3174376	2335186	2996939
Cer(d18:2_22:0)+H	5179051	5247695	4609100	5474723	2527357	2457820	2404148	2651200	1514682	1513071	1484659	1420969
Cer(d40:2)+H-H2O	2914306	3049113	3129911	3125292	1116868	1678340	1310574	1438218	781509	715523	758904	805612
Cer(d18:1_23:0)+H	7996645	7438424	8624799	6179663	3906168	3878596	3752715	4182524	2702079	2493883	2511882	2624470
Cer(d41:1)+H-H2O	4316449	3342035	3677403	3524139	1683386	1867211	2218708	1879307	1553696	1524367	1061915	929011
Cer(d18:2_23:0)+H	4220854	4382097	4713687	4266768	2774527	2872775	2985300	3055046	2008255	2004110	1960560	1940618
Cer(d18:1_24:0)+H	41346647	42734799	45148086	43955809	16197507	23062854	25586644	24273092	18323940	18468657	16926646	12226130
Cer(d42:1)+H-H2O	27285913	27143132	20413188	19191742	18555254	18252934	20511277	19809102	12016611	11926493	8172584	7962879
Cer(d18:1_24:1)+H	29641677	34682538	30984694	36748868	23906227	24450753	27625693	25464575	18980961	19227113	18592091	18523108
Cer(d42:2)+H-H2O	18963585	15543658	19461560	16178970	16480839	12505536	14431712	13767770	8177482	8182214	8215310	8171759
Cer(d18:2_24:1)+H	8133456	7955676	8733425	8338161	6740397	6674262	7235801	6875905	5110449	5118649	5282619	4770430
Cer(d42:3)+H-H2O	3815195	3468604	3147884	2918754	2559787	2686247	2836462	3126928	2117776	2146164	2111478	2159337
Cer(d18:1_25:0)+H	1110954	1268988	1472302	1335830	1207089	1164214	1315358	1149890	1149033	1206018	1160114	1165390
Cer(d44:1+O)+H-H2O	834552	1124567	1416342	1370040	1447528	1160511	1526994	1515410	1278675	1381470	1388835	1277954
Cer(d18:1_26:1)+H	834552	1124567	1416342	1370314	1447528	1160511	1411536	1515410	1278675	1381470	1388867	1278008
Cer(t18:0_16:0)+H-H2O	10615889	10721352	12255172	10500480	5462546	5573741	5700624	5793538	7618978	7516816	7945899	7874272
Cer(t18:0_16:0)+H-2H2O	12239765	11871830	13084614	11378077	6164436	6414124	5840795	3166573	7952406	8121713	8507646	7822874
Cer(t18:0_18:0)+H-H2O	7308474	8114726	7794509	7636601	3446339	3243768	3821918	3936067	1624088	1859369	1434607	1767873
Cer(t18:0_18:0)+H-2H2O	6333172	7186016	7029643	6428616	2995431	2760888	2921742	3030212	821314	852943	864676	473876
Cer(t16:0_22:0)+H-H2O	2007031	2189811	2348387	2171111	888126	995035	832829	899597	476699	537207	544322	560660
Cer(t18:0_22:0)+H-H2O	11465884	15129965	16414360	12105242	5403276	5300657	7860592	5677502	3108012	3174376	2335186	2996939
Cer(t18:0_22:0)+H-2H2O	9274780	9060210	9319933	9251738	7153631	4901800	7998853	5163908	1797741	1775865	1744786	1829851
Cer(t18:1_22:0)+H-H2O	5179027	5247652	4576573	5474730	2527357	2457811	2404073	2651141	1514738	1513084	1484652	1420972
Cer(t40:1)+H-2H2O	2903365	3040983	3119526	3125998	1383132	1454190	1616948	1438310	780591	714731	758784	803313
Cer(t18:0_23:0)+H-H2O	7996848	7438200	8623810	6002650	3906454	3879206	4065972	4182508	2702805	2763138	2535799	2623367
Cer(t41:0)+H-2H2O	4742313	4109305	3712911	4225349	2676158	2595319	1858727	2125899	1074251	1524701	1349688	978543
Cer(t18:1_23:0)+H-H2O	4255830	4382317	4713861	4266635	2774494	2872829	2440397	3055093	2008195	2004088	1960397	1940655
Cer(t18:0_24:0)+H-2H2O	27285913	27143132	20413188	19191742	18555254	18252934	20511277	19809102	12016611	11926493	8172584	7962879
Cer(t18:0_24:0)+H-H2O	41346363	42730496	45148088	43949321	23770092	23063186	25586097	24273352	18323761	18468545	16906824	17304284
Cer(t18:0_24:1)+H-H2O	29641677	34682538	28780319	36748868	23906227	24450753	27625693	25464575	18980961	19227113	18592091	18523108
Cer(t18:0_24:1)+H-2H2O	18880475	15569645	20035628	16399829	17413362	13346817	14348363	13823393	7881926	8284448	7954491	8002954
Cer(t18:1_24:1)+H-H2O	8133456	7955676	8733425	8338161	6740397	6674262	7235801	6875905	5110449	5118649	5282619	4770430
Cer(t18:1_24:1)+H-2H2O	3815195	3468604	3147884	2918754	2559787	2686247	2836462	3126928	2117776	2146164	2111478	2159337
Cer(t18:0_25:0)+H-H2O	1110954	1268988	1472302	1335830	1207089	1164214	1315358	1149890	1149033	1206018	1160114	1165390
Cer(t18:0_26:0)+H-H2O	1110768	877846	1130613	566011	771890	637831	568895	276874	1071871	470587	399080	835712
Cer(t18:0_26:1)+H-H2O	834552	1124567	1416342	1370314	1447528	1160511	1411536	1515410	1278675	1381470	1388867	1278008
CerG2GNAc1(d39:1)+H	2574334	2391327	2778378	2638126	5920660	5490991	6271557	5947421	6453367	6523112	6441622	6040881
CerG2GNAc1(t39:0)+H-H2O	2573756	2391881	2776939	2637726	5920822	5490995	6271192	5947113	6452082	6534730	6442261	6040965
ChE()+H-H2O	548510084	220244417	358022872	332366236	507614377	391748808	518489008	631825402	523973048	615098353	331454354	549492338
ChE(16:1)+NH4	2518124	1027830	1793826	1686568	91952	239187	306625	356904	365732	498712	275498	406189
ChE(18:1)+NH4	22483664	6852625	16858886	15767802	4717016	3500776	4873160	6495730	6939843	11192442	3745319	8791473
ChE(18:2)+NH4	10205681	4604517	7538685	7698245	7792268	5039229	6703694	8844019	8221679	10120283	6013027	9066879
ChE(18:3)+NH4	6263007	3118427	4528046	5338527	2491087	2629017	3194896	2500430	4318202	4572079	2840975	4254242
ChE(20:1)+NH4	1538853	351366	1015118	904485	628014	317670	965876	1045472	1237228	1786340	548103	1446840
ChE(20:2)+NH4	3488961	1495907	2742549	2609615	3497808	2406939	3623903	4100566	7464661	8943701	3920288	7390712
ChE(20:3)+NH4	11504003	5662615	9321815	9054686	13596107	12546916	14981300	15558624	24531539	30193551	15265988	24098106
ChE(20:4)+NH4	21537787	13448980	18281995	18974598	49889192	53370623	55867132	55814139	32210692	36236428	24176108	33136649
ChE(20:5)+NH4	12907566	8630041	11115322	10297414	30864388	29076347	35234850	42210858	32113607	34409992	24788947	32966724
ChE(22:1)+NH4	775330	88906	327125	336013	379041	89905	451455	499183	369404	667730	126973	437309
ChE(22:3)+NH4	4549288	1865756	3510051	3139848	12217853	7976227	12667948	15327700	7536757	9376045	4381381	8008244
ChE(22:4)+NH4	21320531	9724615	16130989	16254141	78277516	60856372	83849796	91455173	34704907	41020212	22467236	35174826
ChE(22:5)+NH4	70220605	33705113	54974214	51357133	115177658	94616179	121849996	122162573	101919838	114755931	67966219	101666853
ChE(22:6)+NH4	83848812	51958672	75515221	72027637	96937922	85237669	105136622	102811273	111525189	119818365	82098014	109870919
ChE(24:1)+NH4	978164	63988	356038	331641	314206	75671	390398	670688	458188	958421	81229	538299
ChE(24:3)+NH4	2155237	601089	1305181	1287746	7949880	3840720	8926642	12008616	2041985	3301693	848094	2294448
ChE(24:4)+NH4	7874171	2632250	5367991	5153416	35696789	23988880	44334105	52523215	7046148	9688571	3574208	8945177
ChE(24:5)+NH4	20685672	7776986	15208506	14951270	42082237	28760908	45003710	51848680	16160026	21251270	9123138	16340857
ChE(24:6)+NH4	5688983	3212891	4772586	4683862	7647238	5739059	7941986	8667368	7786444	9802049	5539619	8385847
ChE(26:2)+NH4	355665	11159	106323	102761	602274	186333	912022	1553441	316255	679102	70637	395047
ChE(26:4)+NH4	1096916	195353	537421	535829	10519399	4442933	14119141	18981278	1686934	2629962	615634	1862411
ChE(26:5)+NH4	2259249	605737	1394640	1396292	8242814	4098086	9495420	11652286	2389648	3699213	1065856	2758995
ChE(26:6)+NH4	1591783	845433	1305894	1306954	4126475	2654082	4253693	5155008	3482731	4591657	2045005	3564549
CL(66:2)+H	300910	253467	308303	355396	1323656	1174455	1264346	1396701	977732	1023528	1092834	924273
CL(68:2)+H	1648891	1359110	1686891	1782174	7692734	6832201	7680468	8292536	5891196	5941557	5654959	5572700
CL(68:3)+H	1310895	1154132	1331171	1190969	1902724	1835560	1985847	2071493	1661873	1623313	1513116	1532403
CL(70:3)+H	1516700	1305616	1476845	1529183	5855225	5496785	5983353	6210855	6035773	6093843	5463978	5631821
CL(70:5)+H	2491662	2181349	2505336	2429409	2857392	2914746	3306602	3077901	2842924	2910410	2942528	3002120
CL(72:6)+H	1477611	1253179	1506131	1325500	2519758	2668836	2882753	2685836	2841357	2931247	2895110	2829181
CL(72:7)+H	783728	850995	778817	900130	1244949	1320719	1390705	1411055	1129117	1155243	1067466	1210671
Co(Q10)+NH4	4800884	5955268	4678559	5167783	7116086	7854594	10214186	8515960	5269070	5990414	5821073	5824349
Co(Q10)+H	961691	1241859	917017	830898	2066413	1787216	2338482	1867714	1061627	1136736	1248536	1148594
DG(9:0_9:0)+H	4115782	3617229	3979788	3367429	3236725	3694832	3285495	3783276	3940536	4077914	3474534	4121303
DG(18:2e)+H	15419450	13449062	15395427	12706318	12023880	14929802	13887001	13951559	14492541	15443824	13347940	14964062
DG(16:0_14:0)+NH4	2440749	2555137	2666962	2590854	1378051	1010709	1346101	1208499	1778728	1807950	1711911	1787942
DG(30:0e)+Na	1739642	961964	1878015	1649280	5503161	4827165	5703646	5704002	5047472	4887979	4864047	4573548
DG(16:0_16:0)+NH4	31150839	30656554	30667306	32356317	13941810	16973040	19656275	18911650	16173122	20174801	20107816	19796931
DG(16:0_16:0)+H	2095345	2137786	2124117	2266120	1112438	1039098	1052504	1235658	1158364	1430143	1212302	1219744
DG(32:0e)+Na	19231884	9554202	14800997	15437553	17685012	12639759	16562343	17722495	2796063	3059120	1998037	2647038
DG(16:0_16:1)+NH4	4742224	4755143	6115408	5200500	4606593	4006860	4599188	4944836	6710824	6641158	6311438	6298265
DG(32:1e)+Na	5399960	5425780	6590662	5794277	9079536	8955104	9079233	9353388	4118834	3986962	4151708	3862637
DG(32:2e)+H	2452727	2471933	2733154	2525372	2766621	1749969	2175741	2807292	1392763	1657635	1725805	1291742
DG(32:2e)+Na	2008601	1635155	1839695	1529928	2317485	2298752	5223652	2721395	1959992	2091455	1198007	1556838
DG(32:3e)+H	7167381	4553924	6160392	6590132	6594401	4974397	6363275	6202737	787703	824995	803182	1045568
DG(16:0_17:0)+NH4	2069801	2142056	1992978	2152939	1307975	986860	1297675	1282374	1545734	1590318	1656816	1392488
DG(18:0_16:0)+NH4	81157135	76797435	82037673	81708128	64185821	62201633	70164244	68796746	69787877	71057297	65113932	66778120
DG(18:0_16:0)+H	3963423	3659699	4111048	4288610	3024534	2834518	3056424	3333778	3314225	3273405	2912256	2968217
DG(16:0_18:1)+NH4	23908324	24645455	27158363	24984539	18195647	12795761	20108296	21173740	28617580	29957873	28380412	27997267
DG(34:1)+H	1109743	1324534	1337469	1349123	858523	898375	1069091	1076704	1378184	1377693	1526305	1480188
DG(34:1e)+Na	14522291	15330615	18579616	15359955	13590498	15064629	13165445	17397695	8737422	10155569	10429504	10368098
DG(16:1_18:1)+NH4	3336855	3235530	4463844	3778751	6824602	6389409	7238956	8021581	7687783	7865617	8241294	7351775
DG(34:2e)+Na	12563183	10597452	13111449	12699487	16026697	15548126	17379017	17205206	18390426	18486737	18569311	18121219
DG(34:3e)+H	23365868	24129295	29537255	24491668	34637369	34811208	33244771	34923350	19666988	19602818	20517805	20231446
DG(34:4e)+H	5403875	5422863	6590628	5679739	9079939	8955109	9079715	9297319	4132995	4016803	4151784	3926470
DG(17:0_18:1)+NH4	1674885	1292840	1804540	1362519	1642270	2622713	2953913	1923314	3628296	4019590	3244539	3537962
DG(18:0_18:0)+NH4	60608728	52609226	60246942	60493823	54110873	53741991	56288839	61342032	59338333	59909411	46779351	56858241
DG(18:0_18:0)+H	1506735	1553207	1695131	1846288	1593176	1501078	1936474	1581643	1713132	1925227	1130273	1622776
DG(18:0_18:1)+NH4	12364394	8995192	9688922	10743492	7799632	7704389	6782052	9022365	7925769	7682609	7433119	7500262
DG(18:1_18:1)+NH4	8930433	8087069	11366810	9188146	12693466	11475594	13588580	13850855	16451280	13168122	16891162	16160240
DG(36:2e)+H	56421622	49476496	56341301	52372975	49823655	47487760	48308257	55708342	54532992	55631580	37441251	49748391
DG(18:1_18:2)+NH4	1326840	1017259	1586906	1545706	4561861	4118343	4792900	4988516	5111025	4874642	5155586	4815615
DG(36:3e)+H	11911078	10349342	20563105	9982887	5604517	5466742	5409931	6318895	4734315	5153107	5193451	4967536
DG(36:3e)+Na	3536270	4185293	3969503	4603153	4590194	3809980	5393090	4824937	893588	2901394	1115920	1499724
DG(36:4e)+Na	11352549	11406778	13197973	11359668	15963143	17214420	17242176	16029887	11928776	11974852	12120789	11656062
DG(36:4e)+H	7788737	6865375	7131696	6929247	3363448	4602759	5446736	5104926	4561048	4900108	4574110	4339191
DG(36:5e)+H	3484029	2932854	3932822	2759246	4364179	5563271	4675652	4610749	3086556	2973526	2792102	2574540
DG(18:0_20:0)+NH4	1886020	1751131	1936646	2022729	1430752	1283349	1456284	1586212	1511620	1542243	1054060	1473990
DG(20:0_18:1)+NH4	1513984	1904012	1870595	1857516	515491	505485	380067	631288	890330	987023	913207	943820
DG(20:1_18:1)+NH4	1801000	1551647	1697781	1499313	1072078	1015983	1172562	1237538	2461848	2526494	2458184	2763601
DG(18:0_20:4)+NH4	4938598	3473757	2489636	2610108	17900556	21516240	21491069	21460787	36014900	32470064	30042979	35986568
DG(38:5)+NH4	893514	720424	759727	703557	5192781	5203085	5504549	5931583	4391780	3971322	4252634	4271602
DG(16:0_24:1)+NH4	1906517	2056872	2099805	1784514	334005	386256	328887	281787	993019	1041739	834654	815868
DG(18:0_22:5)+NH4	1022806	723662	775785	811076	2454454	2546401	2715948	3199511	3145110	2575184	2386767	2918132
DG(26:0_16:0)+NH4	1179008	1053296	1129030	1102211	162058	228217	326571	277819	413130	429981	343256	444198
DG(26:1_16:0)+NH4	1605814	1692991	1595845	1609793	218395	200327	238148	69283	913945	988730	937471	891304
GM3(d34:1)+H	3140020	3134276	3715867	3166057	2473897	2781494	2768721	2822243	449933	532296	515189	527506
GM3(d36:1)+H	1460501	1546435	1627655	1376867	903089	1009843	1004049	1077596	0	23721	54283	27190
GM3(d40:1)+H	1824441	2150855	2398412	2220997	1276838	1543534	1327289	1645462	0	0	0	0
GM3(d42:1)+H	5949663	6287833	6550102	6236659	4113245	4441941	4438739	4291607	0	76864	62166	204888
GM3(d42:2)+H	3760714	4097613	4528488	4347455	2791519	2672852	2799393	3345016	40700	86374	0	96949
GM3(t40:0)+H-H2O	1824844	2148246	2398314	2220426	1279287	1458303	1327856	1646346	0	0	0	0
GM3(t42:0+O)+H-2H2O	3760714	4097613	4528488	4347455	2791519	2672852	2799393	3345016	40700	86374	0	96949
Hex1Cer(d18:1_16:0)+H	7503068	4167184	9365408	7540711	6159878	7074316	3265288	6298361	3131805	3304949	3082765	3144089
Hex1Cer(d18:1_18:0)+H	7399414	7404377	7147217	4470935	5017659	5302227	5446300	5543700	209080	485501	294953	365179
Hex1Cer(d36:1)+H-H2O	1701635	1781549	1701564	1735455	649988	482616	969968	1168314	0	0	0	0
Hex1Cer(d18:1_23:0)+H	9599831	9405236	10165956	9702266	5537374	5817387	6213769	5808051	1301476	1407420	1298789	1386423
Hex1Cer(d18:1_24:0)+H	65996360	64501232	66532980	65651368	35252950	37134965	32252853	38597742	8357586	8727734	8011350	8264356
Hex1Cer(d42:1)+H-H2O	14097055	13475085	13898554	13605784	7491293	8140293	8727370	8188976	2075180	2012143	2106524	1940177
Hex1Cer(d18:1_24:1)+H	43165899	41238043	44288071	43463851	26535446	28358210	30264646	28546643	7856354	7672608	6249237	8026037
Hex1Cer(d42:2)+H-H2O	8445522	7732541	8486624	8568730	5192157	5849445	5944418	5941743	1659171	1622817	1789783	1567574
Hex1Cer(d18:1_25:0)+H	1970806	1708839	2072583	1855963	1578173	1616014	1913780	1655647	445973	499871	454393	503266
Hex1Cer(d18:1_26:0)+H	1214615	993960	1377285	1367945	605188	620671	1139304	666371	239558	232072	327521	208540
Hex1Cer(t18:0_23:0)+H-H2O	9571199	9404964	10166623	9754728	5535298	5819321	6214438	5808110	1300530	1406009	1299896	1383738
Hex1Cer(t18:0_24:0)+H-H2O	65996360	64501232	66532980	65651368	35252950	37134965	32252853	38597742	8357586	8727734	8011350	8264356
Hex1Cer(t42:0)+H-2H2O	14102427	13475621	13897748	13605918	7491658	8141001	8727514	8191004	2076025	2013919	2106407	1940128
Hex2Cer(d18:1_22:0)+H	4461734	4431952	4721702	4360878	19840307	19529383	21964950	21011246	1662543	710923	932570	1655053
Hex2Cer(d18:1_22:1)+H	1012114	447098	503739	957395	3327637	3449895	3584968	3425191	71878	47447	0	0
Hex2Cer(d18:1_23:0)+H	1085286	1163182	1230551	1095407	5464494	5679209	6302354	5958146	546012	645691	553352	480425
Hex2Cer(d18:1_23:1)+H	426829	162863	570347	477412	3071141	2961967	3316251	3078013	0	0	86361	0
Hex2Cer(d18:1_24:0)+H	9409033	9594294	9642905	9602023	35773984	28135716	39360288	36375246	5220500	5073753	5263613	5319366
Hex2Cer(d42:1)+H-H2O	729596	683398	609802	822045	2102142	2142980	2656095	2287066	377032	293086	282586	274841
Hex2Cer(d18:1_24:1)+H	7606406	7587277	8083763	7607445	34084378	34190200	36210284	34756296	4504537	4192969	4128831	4280104
Hex2Cer(d18:1_24:2)+H	1322518	1186292	1162931	1056247	5253474	4888221	5573537	5574286	271159	240393	486954	114122
Hex2Cer(d18:1_25:1)+H	83384	208385	202508	195242	1880877	1922979	2218939	2086298	166583	0	66192	150702
Hex2Cer(d18:1_26:1)+H	210001	233405	168202	303664	2042510	2068152	2113925	2199023	61493	63267	201650	117000
Hex2Cer(t18:0_22:0)+H-H2O	4461732	4431890	4721709	4364602	19840324	19528477	21965077	21011266	1662543	710580	932439	1655053
Hex2Cer(t18:0_23:0)+H-H2O	1085286	1163182	1230551	1095407	5464494	5679209	6302354	5958146	546012	645691	553352	480425
Hex2Cer(t18:0_24:0)+H-H2O	9409033	9594294	9642905	9602023	35773984	28135716	39360288	36375246	5220500	5073753	5263613	5319366
Hex2Cer(t18:0_24:1)+H-H2O	7607762	7587247	8083637	7607676	34066377	34436074	36115719	34779685	4515081	4193284	4129054	4280209
Hex2Cer(t42:1)+H-2H2O	483786	421177	511762	453592	2810492	2781682	3302177	2774437	134580	194902	320297	288514
Hex3Cer(d18:1_16:0)+H	634533	491699	790453	465039	1510846	1392540	1798757	1305282	3572796	5178697	3854002	5465788
Hex3Cer(d18:1_22:0)+H	1478411	1569932	1453157	1747964	3516898	3453521	3625968	3187409	1719204	2007451	1957978	1890945
Hex3Cer(d18:1_24:0)+H	5239831	4935062	5179022	5023846	8992889	9383003	9743831	9289290	11035642	10932109	11368798	11302202
Hex3Cer(d18:1_24:1)+H	3635130	3756687	4013594	3959775	9931802	9432048	9839284	9948773	10501127	10169149	10408252	10682020
Hex3Cer(d42:3)+H	479851	337863	363895	254793	1839785	1667444	1662222	1863938	1541714	1370561	1644454	1237125
Hex3Cer(t18:0_16:0)+H-H2O	634533	491699	790453	465039	1510846	1392540	1798757	1305282	3572796	5178697	3854002	5465788
Hex3Cer(t18:0_22:0)+H-H2O	1478411	1569932	1453157	1747964	3516898	3453521	3625968	3187409	1719204	2007451	1957978	1890945
Hex3Cer(t18:0_24:0)+H-H2O	5239545	4935032	5178756	5023855	8992946	9381781	9745973	9289165	11027439	10932069	11368737	11302151
Hex3Cer(t18:0_24:1)+H-H2O	3635141	3756346	4013631	3960166	9931824	9431300	9839114	9909477	10501139	10169185	10481965	10719305
LPC(14:0)+H	823077	728062	915564	861060	486999	642711	484790	427770	801244	614726	1092514	766182
LPC(16:0)+H	10838181	13532242	7024160	11367415	7833719	9044792	7526863	6624832	10937350	8666135	15271146	11138259
LPC(16:0e)+H	1494070	1949879	1412356	1005771	214287	186200	137104	303462	927002	1020982	840556	1051117
LPC(16:1)+H	1283185	1044232	1593681	1476297	1210589	1706444	1283703	1078688	1689605	1102182	2486160	1733498
LPC(16:1e)+H	1793539	2012381	2175004	1880109	1657139	1670860	1203757	1765821	1570609	1594732	1767447	1576579
LPC(17:0)+H	520194	580379	490280	484810	373640	419931	357956	339010	519161	411343	660866	502510
LPC(18:0)+H	3629214	4175827	4169373	3675736	1508360	1516283	1568664	1624342	2008535	2023632	2514299	2172519
LPC(18:0e)+H	646427	694137	715442	645233	123841	55084	84869	170770	613044	646340	690915	811440
LPC(18:1)+H	6670129	6399912	7902548	7404691	4296186	5291601	4260935	3560412	8147938	5956150	11373766	7602831
LPC(18:1e)+H	221626	320364	187168	208628	91238	100377	82400	92745	402434	378487	491508	414249
LPC(18:2)+H	471659	207192	799242	545256	1146529	1326009	681522	890341	786736	601286	1678977	771842
LPC(20:4)+H	374410	252031	27685	314136	332863	405094	362228	371691	262939	402528	47435	258033
LPC(28:0)+H	2261132	2757282	4522409	3107908	1992334	2636728	2409797	2706022	3874637	2601132	4175944	3072257
LPE(16:0)+H	1211782	1963206	1379727	1248918	1043997	705759	717415	924484	750257	468474	974323	508218
LPE(18:0)+H	10231533	9436205	11381949	10535026	4620797	4791782	4460511	5045999	3279513	2924883	4135658	3294429
LPE(18:1)+H	4347461	3082208	5094105	4552377	2355738	3044683	2691469	2430866	3341268	2468534	4371806	3393554
LPE(22:5)+H	756512	765540	999935	973782	890373	918804	989423	817039	1102947	1102113	1500605	1427533
LPS(18:0)+H	1102185	1977821	2094766	1396267	1737077	2360377	1982552	1775640	2178205	3057575	2530518	3190035
LPS(18:1)+H	608821	525882	693514	641925	378004	468747	353719	301654	640354	511846	897586	700498
LSM(d20:1)+H	240700	246353	220943	195839	249357	275296	274013	249050	119145	102949	112074	92076
LSM(d20:2)+H	278887	218403	275067	301077	314596	375299	340427	385625	74402	77729	75975	78075
MG(14:0)+H	3329772	3442121	4994703	3023166	3059288	3059478	3022223	3501422	5137431	4978556	2920848	3863167
MG(16:0)+H	186731321	174681584	295388119	166638246	174748200	162089907	167252967	175099383	184887527	193296074	270888724	305769039
MG(16:0)+NH4	21368400	18710774	48911798	15248473	20593009	18301368	19343550	16825234	21692978	17131702	15631543	15451534
MG(17:0)+H	757968	811634	704710	712718	713241	712389	723748	594722	715015	889331	613264	724650
MG(18:0)+H	201288193	190797644	134389222	180144650	168979963	189724959	166776660	182040103	204343836	215978788	181131091	204082946
MG(18:0)+NH4	42416722	40370334	27976520	37396230	21770021	25629638	36430210	39380663	42769322	28408573	37463912	43254900
MG(18:1)+H	4140349	4131663	3481042	2961454	2786149	2812070	3094623	3676106	5040968	3973155	3599180	4860125
MG(18:2)+H	19918375	17354816	19496065	16652943	16081190	18183539	16255959	17944715	19654287	19579617	18088417	20154210
MG(20:0)+H	1982636	1810468	2173179	1049411	1791358	1232389	1785823	1722838	2245556	2013514	1911292	1973704
MG(32:0)+H	3710021	4010882	5453102	4751915	130812	192772	193063	223743	1548961	1446674	1507745	1368859
MG(34:0)+H	2147955	2281001	2498434	2331137	159981	154224	205997	151802	2533525	2670823	2019094	2458905
PC(26:0)+H	1146104	1132144	1247046	1146444	43789	40156	76944	94619	333143	319630	326781	310703
PC(28:0)+H	47245542	50032900	36813804	49940327	13533410	15246479	14251767	14303613	17263556	18136629	18353584	18006595
PC(28:1)+H	1659476	1779214	2077267	1565159	311418	252576	256752	280878	431299	499865	494323	407385
PC(29:0)+H	9898134	9969414	23054740	13946909	7731455	7981347	10833587	8658047	8109394	8081568	7875587	7887344
PC(29:1)+H	1346176	1225847	1480860	1360205	1173482	1033215	1043822	1339296	1292237	1183375	1130886	1275041
PC(16:1_13:0)+H	11824250	14279874	9587304	14073110	6587172	7214925	7090304	5006967	4555280	4658644	4669911	4177680
PC(30:0)+H	231522056	225684256	313365575	233802738	126915536	132827823	134633311	123727454	238091951	231847340	232331654	227797057
PC(30:0e)+H	20465667	21375738	24073028	21413196	4009576	7522253	3788775	7331499	19686622	20756134	21263500	21579650
PC(30:1)+H	73194451	77730096	102069852	76159891	41258208	66131613	63366095	65874451	51902465	37483472	52413283	52325508
PC(14:1e_16:0)+H	14220334	1536644	16642881	2189138	1835612	2985906	3166852	3285123	1229039	1501656	2027382	3309476
PC(30:2)+H	2047102	2010271	2963300	2203712	1979420	1987777	2095273	1632514	4699484	3996295	3852370	4601681
PC(31:0)+H	51779091	27073027	31503081	29625251	82620265	62733085	82965360	87687017	43281778	44497152	44148743	45058424
PC(31:1)+H	26929948	25886748	39723198	26722610	34141211	35752413	35813569	37101863	29718004	30893162	31235084	30186640
PC(18:1_13:0)+H	124721012	126334197	133341161	129302196	75266373	79117437	79699096	79238119	63366370	62945567	64697845	64015951
PC(21:0_10:2)+H	1120097	1146449	34148396	1399024	2014582	2517472	2476135	2199983	2717324	2690964	2366962	2851800
PC(31:2)+H	30729454	21795345	21356595	32321679	22774343	27054390	25927888	26686564	21747911	13265678	21407384	12788521
PC(16:0_16:0)+H	240661915	266665700	273747611	223248493	578496949	589754418	579310942	598220965	621591497	645207143	663603303	632540980
PC(32:0e)+H	71016680	73026109	78503989	72008110	50702866	50903433	52885263	53955164	146542748	150377741	158767706	147090452
PC(16:0_16:1)+H	714720507	487520016	558265632	498473885	425625438	670157527	660632928	654228277	703174988	715559694	700039729	701121640
PC(32:1e)+H	66463129	131161045	129996821	123652407	64436454	47284011	52526045	65733559	92036557	104817469	91267930	99850220
PC(32:2)+H	72405473	72789905	78176317	55927480	121760555	130249966	127616047	131498463	118258867	119247868	118963534	119310689
PC(32:3)+H	2770987	1452180	4327271	1062997	4001195	5338330	3456725	3948834	8256392	6580509	6788314	6938521
PC(33:0)+H	24724449	28357590	27623490	28373192	102281006	107372890	108123517	106983540	61192168	56227956	111215346	109033155
PC(33:1)+H	456400375	117578687	152143426	457133697	320212571	338197502	337762146	122039742	353372655	362350229	142968921	361967532
PC(33:2)+H	209956843	209868799	218357946	211389943	140184913	150059583	150449168	151816308	139774296	142989038	147753071	113511838
PC(33:4)+H	19176016	20673619	14181433	20103363	18184865	14207186	15603033	20269056	7403765	9248625	8447397	9016518
PC(34:0)+H	174835579	159321058	175056654	155261538	402817809	395615454	402612578	382506413	456686365	493919151	718195614	494308408
PC(16:0_18:1)+H	1835602500	1873185742	2083818974	1929108218	1547647149	1615405020	1593589222	1611720069	2021327283	2086418951	2081267380	2024818627
PC(17:1_17:0)+H	18948110	14379276	24173767	16161618	22250929	20700243	23507236	22521409	23559920	18712651	23196617	25251297
PC(34:1e)+H	170787931	172863523	192641288	170264300	89208671	89133382	91395682	91180892	346964683	362918943	372819178	347166308
PC(34:2)+H	345934668	522941345	397647184	375644584	628020134	441042257	417608845	438914330	632549643	673563947	641888569	655235082
PC(34:3)+H	46178385	45883981	68495436	45446634	114126640	118609771	120610722	119866298	122962271	121151492	119768165	120444104
PC(34:4)+H	4851162	4348712	7847736	5814896	12293993	11911390	12777905	14226167	13576202	14700545	14578506	14652864
PC(14:1e_20:4)+H	9384783	9141568	10122499	9377868	17755803	18699812	18902389	18656793	14709948	14248180	14021593	14988523
PC(35:1)+H	145961823	145016079	159214843	142418305	152669362	157320593	163559276	159867218	199034137	203830945	208664234	198871572
PC(35:2)+H	111661672	118496551	126236744	118320436	136386400	144017454	144605912	144501816	141712427	145923517	144049136	142782039
PC(35:3)+H	8033281	8292522	9463797	8512869	23945601	25155660	23949788	25754145	17170206	18409175	17180518	17647541
PC(35:4)+H	158152779	159219301	160402934	154276786	229312520	240384536	248426720	243784252	85777740	82710772	91489031	88685104
PC(22:6_13:0)+H	11373202	11954978	13427629	15674388	16993707	12602479	13822533	16813707	10654042	10251640	9547495	9907556
PC(36:1)+H	490022547	667782361	550965559	488632426	286511426	291340453	302307981	302912012	508169744	704178869	524401941	505717381
PC(36:1e)+H	27792647	28410979	32112392	29364443	6841624	5785693	7530894	7210121	45732678	47165231	48345809	45165335
PC(36:2)+H	1025564595	1037538507	1145386315	1044985652	760282979	807148945	807234385	801060806	964373707	994450611	997796522	969952918
PC(36:2e)+H	44836613	46591844	52102645	45836533	14489118	13664083	14987215	14507996	78226693	82896329	84941415	80227678
PC(36:3)+H	187570592	196062795	213879000	195653223	306129124	326036384	316599916	328200295	306026827	320589430	317598309	315104109
PC(36:4)+H	132318542	137814017	158103037	134981799	153756518	158546719	158261677	254844917	152181364	154473565	155630033	153303237
PC(36:4e)+H	33317584	33945094	37567800	33772657	32115624	33366039	32914399	34122543	41495792	42735061	43794115	42596064
PC(36:5)+H	37535666	37331640	54216678	36140794	83022497	87776589	78417399	86479259	58770168	58823381	57990599	58180288
PC(36:5e)+H	22768659	19145261	21726424	20332821	52597018	54071668	52305071	54804806	18491572	18744225	20097932	19715821
PC(36:6)+H	4774574	4860558	9906473	4850953	10221953	14648651	13997736	14678939	11453413	13515726	13585114	13566577
PC(16:1_21:0)+H	9181368	8932612	9284171	9176265	6332415	6240910	6386137	5557305	28877905	31189123	30050453	6593104
PC(37:2)+H	41918952	41522717	45684226	41364604	40427467	41412610	42637243	42692699	52672369	55042014	56829594	52606229
PC(37:3)+H	9804919	9554315	10923497	9851983	27017160	27510975	27244645	28634957	20908630	21617124	22115631	21361684
PC(37:4)+H	4255076	5543304	5679559	4674978	18698453	16720581	13585109	17154900	34758203	8524059	9395554	9049692
PC(37:5)+H	55779169	54750215	59537592	54584362	34155735	75635313	37340083	34516115	50846185	54568556	55112304	24764852
PC(37:6)+H	74143777	72330840	78382552	72215162	41407230	41906728	40980589	57152753	40466258	39074924	40854555	38640759
PC(38:0e)+H	1890057	1713387	1375939	2344660	4407853	3956387	4332850	4265506	6949100	7187782	7403059	5230942
PC(38:1)+H	20928087	31574278	23032084	21996302	10049700	9924525	16003478	9908007	24127745	24901264	25426037	24726385
PC(38:1e)+H	5140579	5136026	5826294	5187321	3879615	3063747	4081213	4068914	6363590	8913121	7387981	6701241
PC(38:2)+H	62365384	63683777	75344711	81993401	36241915	47962022	36002212	35852474	90998812	72898033	72399127	90614538
PC(38:3)+H	64849655	53415526	58645766	64920255	72417139	76659423	85917514	71026804	76652666	96048167	73717597	90915481
PC(38:4)+H	99025611	126468414	115956564	101958528	222922330	230373810	225581773	224084743	137541232	146046536	148007600	129280978
PC(20:4e_18:0)+H	19236737	18386043	20961725	18454672	20020319	19603374	20372190	20178538	47167727	50924844	50069281	47908553
PC(38:5)+H	89377281	86325511	156389736	140895997	215832264	329059472	319390685	213753341	190358587	137460718	190717773	139846314
PC(38:5e)+H	21838364	26971487	32976216	29648100	41053760	42236627	45506001	58254181	70568828	71335467	71713397	71183655
PC(38:6)+H	81360318	84375496	100063825	86696504	84263507	124159937	88949143	86984362	123822997	126605985	123987776	124027740
PC(38:6e)+H	23286424	24875220	26735910	25556112	37977723	39934632	38185693	39753392	46235183	48565630	45426966	44341299
PC(38:7)+H	4557853	4329728	12385995	3959640	11349154	10091739	10560636	10564278	9396011	10285556	10487177	9541940
PC(39:1)+H	6946682	6320491	7265864	6865741	3281902	2488641	3038090	2853659	3623376	3329713	3573816	3171037
PC(39:2)+H	7568914	3100437	3978990	3236456	2302839	2341566	2550241	5536564	4838105	4994020	5086760	4492370
PC(18:1_21:1)+H	3952178	3693819	4195789	3942549	3210734	3002123	2897994	2599674	3659396	3957959	3759605	3818229
PC(39:4)+H	3843351	5775159	6592958	6207105	13720056	8998666	14716296	14699230	7608610	3339687	4362431	3704720
PC(39:5)+H	3960378	3343460	4086451	3793901	9851861	8793057	9471345	8043941	3260874	3673204	3328702	4112335
PC(39:6)+H	4396786	3779394	4025319	3479938	13147076	13664019	9183134	9735568	7187334	7923708	7181046	6939546
PC(39:7)+H	1502764	1442996	2416799	1766539	2711245	2730888	2683999	2772425	2997733	3031530	2981540	2867024
PC(40:0)+H	4698903	3471986	4986822	3555979	1296694	1301925	1338861	1410325	4044174	5636421	5354871	5084758
PC(40:1)+H	8923255	7032415	9951944	9163265	3636868	3375494	3953447	3640745	9770456	9955951	9686948	9553586
PC(40:1e)+H	2252501	2413413	2973168	2407495	1617780	1196591	1896014	1713907	6082315	5468834	5089168	7115120
PC(40:2)+H	12027475	12207399	10168978	12323460	4475445	4580971	6302883	4545982	12956610	16192652	12647519	16348080
PC(40:3)+H	8116222	8572721	7237246	6765705	11672197	12608659	12744889	9973601	11075467	11369231	14717800	14131600
PC(40:4)+H	18079330	15451629	21149907	17732179	44977894	46921845	37484962	47886161	25959685	28061241	29152287	26080138
PC(40:4e)+H	3879395	3895838	4254620	5452793	5317121	5547463	5529516	4522051	16329981	14622636	14581382	14850711
PC(40:5)+H	46808815	47492825	52686182	47845342	95164026	99257031	98527071	99550056	68753782	68251409	71956935	55469846
PC(40:5e)+H	10283524	9968937	11474802	9996692	12435086	10295117	10908978	9606992	31399215	33381619	34103331	31703506
PC(40:6)+H	47904886	69125983	73392046	65072955	90277091	96664443	91930798	94145570	81842489	84848596	82707161	82729192
PC(40:6e)+H	12377512	11326130	15125007	10839603	14753265	14663059	14369112	14554574	34877353	32385013	35804040	35747138
PC(40:7)+H	47503542	48856255	55952586	49584888	56149412	57951194	55895181	55372837	72932026	77073491	74749688	74833857
PC(40:8)+H	2568724	3105780	2847382	2525925	5981847	7669711	6215501	6842066	6179713	5435591	5524663	5187451
PC(41:2)+H	920974	1539474	623840	970194	1038297	525966	627742	1012470	1565163	1996184	2568862	1039159
PC(41:7)+H	1350340	694656	1012879	971549	1610589	1335228	1694765	1273849	825295	1511512	879423	839043
PC(42:1)+H	8132065	5994206	6896761	8343744	1563581	1963077	1739460	2029115	10548424	8557473	10485656	7843698
PC(42:2)+H	6878917	6345036	8662166	6478076	3065723	3074420	2587792	2407382	12334447	10506120	9708243	9705946
PC(42:2e)+H	1018225	1041575	1209804	1037312	211799	230649	189297	267835	2313506	2427564	2244723	2191624
PC(42:3)+H	2559964	2974944	2729201	3215729	3030046	3478369	3249738	3593438	5724983	4769443	5965613	6240506
PC(42:4)+H	3304404	3105241	3375054	3125678	7811793	10388910	9034554	10461711	6867657	7467812	7839761	6978297
PC(42:4e)+H	2751936	2443655	2798210	1953206	2141781	2559079	2364733	2233475	3782157	3309113	3459515	3405649
PC(42:5)+H	4890830	4890144	6400376	6148275	20003167	20997480	21073633	20686067	11156161	11684939	11639733	11544536
PC(42:5e)+H	4347463	4363684	4936830	4452976	3105466	2869374	3383424	3034257	5744108	5845247	5227545	5860247
PC(42:6)+H	8068247	8516477	8647583	7901270	16958508	20465983	17764357	18264938	12482543	13097891	13259348	12475911
PC(42:6e)+H	3176518	4642057	3431229	3640381	1776090	1639858	2325742	2233342	3691978	3672389	4033065	3034953
PC(42:7)+H	3875816	4091396	3291703	2716558	8352119	8522589	8950850	8954987	6705885	6372804	7358633	6583316
PC(42:8)+H	990539	1052849	1412303	1347675	9114147	5474935	8481519	5848098	3243623	5095896	3735963	3531865
PC(42:9)+H	2649589	2909246	3751296	3221210	8626079	8795065	7235181	8497806	6235149	6032277	5865181	5887683
PC(43:2)+H	777190	785656	733171	828032	228865	296168	192293	210561	1511481	1553666	1513593	1358936
PC(44:1)+H	2795912	2308349	3271390	3053097	339034	318052	381117	330378	3448505	3709467	3236140	3240898
PC(44:10)+H	6961407	10438110	10449411	6918646	6247950	6150840	6696490	6188651	3799064	3404662	2455738	3487866
PC(44:11)+H	10366638	10674968	12432152	10734090	7035900	7600099	7671134	7538818	2345014	4929952	2625441	2743394
PC(44:2)+H	2736158	2881007	3236249	2881895	857092	761589	889819	856960	5695404	6135572	4615639	4447492
PC(44:3)+H	1766868	1667914	2047538	1714451	1243522	1230252	1328114	1323128	2574130	3675301	3505354	2696643
PC(44:4)+H	1753993	1787103	1958644	1800126	2044251	2627972	2216161	2307821	2118061	3311652	3334969	3400948
PC(44:5e)+H	1459751	1492120	1732624	1603815	1304442	1340235	1673376	1412153	2572231	2964345	3000550	2622788
PC(44:6)+H	1783868	1779938	1663925	1726512	4820760	4147415	4188992	5428298	2535773	3118650	2734236	2860749
PC(44:6e)+H	1229588	1511781	1398532	1508243	1042500	1468968	1582249	1148003	1956288	1987394	1617167	1843523
PC(44:7)+H	548928	615463	755621	950572	2071464	2672276	2796973	2545818	1822621	1945585	1747605	1641418
PC(44:8)+H	83608	88118	115417	89427	4867694	4855773	5212002	5159210	910604	1048078	744832	896007
PC(44:9)+H	481741	223583	323677	1689920	4915518	4879477	4889952	3031932	1647978	1709715	1106402	997007
PE(16:0e)+H	1211782	1963206	1379727	1248918	1043997	705759	717415	924484	750257	468474	974323	508218
PE(18:0e)+H	10230873	9454707	11381670	10359978	4653829	4785427	4502477	5044417	3278448	2926948	4133905	3296022
PE(18:1e)+H	4347272	3081030	5068528	4544849	2354275	3044388	2690978	2430698	3341377	2459754	4371634	3395825
PE(20:3e)+Na	1192439	973538	1304837	793008	911610	733642	1080775	915047	869838	732265	720352	651034
PE(20:4e)+H	2198297	1493504	2500666	2445265	2236807	2823971	2561176	2160149	1477951	1505070	2076369	1889632
PE(22:5e)+H	974886	767393	1000094	973657	790236	919645	993559	799652	1103008	1028358	905011	1427523
PE(31:2e)+Li	1706016	1638935	2110810	1781000	217669	215868	197946	286762	241843	304055	169327	187400
PE(31:3e)+Li	1203818	1287685	1883349	1857376	565246	427586	540741	642169	628266	699824	605994	511260
PE(16:0p_16:0)+H	4551173	4293734	4551525	4758589	10076456	9944383	9856411	7531134	8220408	8746137	8460386	7279869
PE(32:1e)+H	4551173	4293734	4551525	4758589	10076456	9944383	9856411	7531134	8220408	8746137	8460386	7279869
PE(32:2e)+H	6851682	6661978	8384702	6869104	2617729	3052832	2828580	2916840	2388317	1320087	2606174	2186879
PE(33:2e)+H	3626842	3417307	3595535	2959914	2036075	2364662	2323387	2144093	1777296	2068622	2289127	2560381
PE(16:0_18:1)+H	128304566	130707359	184604425	128826182	75250903	79116514	79671778	79257177	62362581	94882943	96968942	47301769
PE(16:0p_18:1)+H	71849719	70448500	76117650	68288347	37911690	35974671	37299609	36729079	53847295	55255130	58331481	55457574
PE(16:1_18:1)+H	30729454	21795345	21356595	32321679	22774343	27054390	25927888	26686564	21747911	13265678	21407384	12788521
PE(16:0p_18:2)+H	9604294	9438261	10245387	9693738	5456021	5955747	5951848	5815099	7396126	6814024	7257438	7397532
PE(34:3e)+H	9604294	9438261	10245387	9693738	5456021	5955747	5951848	5815099	7396126	6814024	7257438	7397532
PE(35:4e)+Li	128284777	130109999	133341161	124570507	75225450	79088372	79748074	78674365	48103749	64171877	65361170	47825851
PE(18:0_18:1)+H	319181010	260515719	339002640	314144992	160764005	157590649	161127774	163321058	190733247	163811343	200299745	166691880
PE(18:0p_18:1)+H	31390592	43581023	48761198	37830490	16682332	13862118	14534405	13923644	35080409	35122707	40990391	34229416
PE(18:1_18:1)+H	139966734	131471791	128127360	125807397	77213869	150059583	150449168	87283385	139774296	142989038	87460834	138634104
PE(18:1_18:1)+Na	25579190	29168865	54048784	26632720	32843194	33613687	34650036	63975789	18731472	18833306	23677163	39114950
PE(36:2e)+H	44461188	43524525	47745179	37746460	14918534	13672384	14536318	13931686	40108814	35130229	40961408	39378404
PE(18:1p_18:1)+H	19235243	19616184	21053021	19013944	12789488	13182613	13622061	13036969	28146290	29173799	30148890	28518990
PE(18:1_18:2)+H	26352441	27565965	28857944	27389028	28800295	30407141	29962400	36352638	24867945	25824720	27312090	26352847
PE(18:1_18:2)+Na	15345492	11903804	17688123	11946094	17018080	17123318	13481154	12562401	10650073	9956082	9484114	11336011
PE(16:0_20:4)+H	19249856	20673583	21476615	14865269	18727761	19903730	14883541	20314542	5387777	6097651	8435751	9025032
PE(16:0p_20:4)+H	96468833	95035017	103947168	98069521	94090485	95767798	96459531	95884305	68072102	70100087	68895846	67954619
PE(16:0_20:5)+H	4855410	4575315	5344077	4160653	3944167	3681720	3814079	3825456	3305028	3036354	2975385	3000927
PE(16:0p_20:5)+H	14636408	14963535	15650173	14266100	4739960	4971725	5472367	5311791	14963627	12852177	15733406	15386912
PE(36:6e)+H	32837728	25254763	32363145	32376497	25609748	33364172	34510070	24839934	31337091	29390973	31277266	28800950
PE(37:4e)+Li	319153294	260733866	339016424	314205343	165543562	151487103	167508314	160457926	187757887	172111713	186861340	174928357
PE(37:5e)+H	9384783	9141568	10122499	9377868	17755803	18699812	18902389	18656793	14709948	14248180	14021593	14988523
PE(18:0_20:1)+Na	18051743	18141967	18520737	17647367	30800304	29593219	32440615	29947259	21248827	19038803	21383174	20907177
PE(38:3)+Na	74143777	72330840	78382552	72215162	41407230	41906728	40980589	57152753	40466258	39074924	40854555	38640759
PE(18:0_20:4)+H	158154077	156436309	160456650	154940420	229312520	240384536	236244515	230537605	85777740	82648713	91489031	88964858
PE(16:0p_22:4)+H	99292855	96702812	106655018	98242378	117835566	125687596	128931422	116300083	133032081	135483967	139953013	133289795
PE(18:1_20:4)+H	48746193	49492153	54048784	49486467	63783480	65355869	63542986	63975789	40054381	39488069	40925411	39114950
PE(16:0p_22:5)+H	99219147	99902261	105875654	101561565	109388296	114532496	118026585	115274404	125059277	125003916	127149615	124246998
PE(16:0_22:6)+H	11641915	12149150	13469386	15666740	17131495	12865935	17541755	17003551	10657268	9959036	9535438	12703107
PE(16:0p_22:6)+H	56459988	54702804	60015496	56663540	47854863	48649619	48683423	48960734	45428795	46502926	45802988	45727373
PE(18:0_22:4)+H	20837059	18061759	22092102	20577951	28897387	29398617	41457647	32086255	21687391	19141071	21724854	20833193
PE(18:0p_22:4)+H	10224473	11456050	11171190	9337954	18161695	18698534	19121606	18833344	36844114	37543307	38246620	38078487
PE(18:0_22:5)+H	55710917	54656261	59896128	54584362	53873975	55036163	57307656	56461999	25602624	27155498	55010985	24764852
PE(18:0p_22:5)+H	40506704	39284698	43635734	39449562	56178849	56615625	58539810	54337897	92936491	97607576	98656423	94280473
PE(18:0_22:6)+H	74143777	72330840	78382552	72215161	41410457	41906728	40980589	56955479	40466258	39075731	40854556	38640759
PE(40:6e)+H	40506704	39284698	43635734	39449562	56178849	56615625	58539810	54337897	92936491	97607576	98656423	94280473
PE(18:1p_22:5)+H	48699509	46244627	50305197	46101376	39895681	41941750	55790051	42780808	60401799	57189581	59606008	58387320
PE(18:1p_22:6)+H	11690670	11688316	13461052	11804329	21168032	22792323	20983614	21403067	22036454	22125617	22253414	22469442
PE(42:1)+H	6980932	6300188	7310140	6908669	3815771	2313708	3104004	2876031	3517536	3144962	3546324	7921623
PE(20:0p_22:5)+H	4006433	3956520	4268818	4018116	4470050	4428055	5602729	4237592	6406779	6427870	7728567	12516029
PE(42:6e)+H	4061645	4016523	4305404	6712364	4367840	5039153	4730935	4349994	6517219	7746147	12728955	7936490
PE(42:7e)+H	3615762	2560586	2826285	3470126	3483036	3540088	4386216	3055204	5386175	5256261	5460388	4936932
PE(43:5e)+Li	3535145	3108814	3761021	3472740	2703599	2548916	2832526	2465850	3870184	4138427	4036356	3893876
PE(44:0)+Li	70215	73404	95722	81088	2859764	2584838	3058035	2553989	162517	140693	124569	177904
PE(45:7)+Na	10467183	5383553	14575470	10521196	1987953	1902880	2550995	2413244	1283699	1205574	3585563	1092974
PE(46:0)+Li	1200103	1028184	1206054	1138600	30829028	25735821	31334347	28347134	1401924	1400863	1227414	1416246
PE(46:1)+Li	81147	73750	117930	65152	5787275	5641182	6039740	5533605	279870	239132	249023	262398
PE(47:0)+Li	576383	448981	598776	623775	13233785	10823846	13577543	12809197	350626	354210	341363	432762
PE(47:1)+Li	59174	17920	26069	51904	3075444	2737471	2936125	2900085	1466369	78657	56627	54885
PE(48:0)+Li	6969038	4820583	5543723	6066480	124769607	99171493	124989398	119251669	4633510	4326268	3515508	4500377
PE(48:1)+Li	1002128	722028	894241	793814	46199793	37813170	44807745	44712771	1266160	1283533	1131036	1342450
PE(48:2)+Li	85251	87266	81298	68459	11053548	9613101	11714330	11424495	280261	281137	286095	340202
PE(49:1)+Li	166119	139518	179244	160385	12035227	9866265	11804538	11251872	265457	192738	161400	158872
PE(49:2)+Li	70571	24888	32759	11964	4100920	3272415	4065951	3882145	27387	19291	28780	30080
PE(50:1)+Li	2908499	1992071	2572194	2640856	95002070	72311644	91315980	91608428	2666637	2534144	1913160	2580660
PE(50:2)+Li	340777	375193	429864	445235	58456978	46145898	58403080	58806306	898170	850745	723035	903375
PE(50:3)+Li	181901	57700	79041	89346	26718809	23249605	25146982	27093504	348735	262753	306305	358075
PE(51:4)+Li	0	4753	0	126456	2034593	1767258	1883539	2075213	11260	0	0	0
PE(52:0)+Li	1976757	1084594	1693040	1920305	25680919	16942140	25924596	27567115	735221	896338	490393	824331
PE(52:2)+Li	435285	269710	421629	435971	52121844	38909862	45215801	52540386	905454	838501	707473	964090
PE(52:3)+Li	251009	180545	232852	327560	53588493	41493380	53563339	54367589	798168	683734	624780	813228
PE(52:4)+Li	194118	107766	144038	109708	34802481	29204053	36047749	34601540	553135	603240	445999	522351
PE(52:5)+Li	22842	0	22697	23443	12230014	10407283	12356728	12650931	181599	140848	149577	188660
PE(54:1)+Li	334835	118949	375657	340323	12648742	7513927	12459478	13507603	220219	223799	123725	248438
PE(54:4)+Li	58608	96140	110371	122572	29291132	22980070	25466211	29911228	474789	389379	375367	505267
PE(54:5)+Li	73542	34583	39744	54077	18172837	16575685	21243573	21171870	287353	241903	215034	239862
PE(54:6)+Li	10373	13095	0	0	9307810	7349501	9069127	9181796	79343	65802	65183	98615
PG(32:1)+NH4	134539	144376	141907	147234	1655171	1369224	1283415	1648835	866792	875503	879982	900352
PG(16:0_18:1)+NH4	3170397	3056274	4439370	3805530	13686277	12827716	11934391	14711632	8605228	6702243	8015535	8851563
PG(16:0_18:1)+H	1050162	1229537	1245345	1542404	4929593	4519705	4196995	4734965	2507943	2449686	2850464	2590693
PG(34:2)+NH4	3320482	2204175	3374549	3075158	5882686	6264001	6456830	6679783	8549180	8490148	8144735	8221945
PG(18:1_18:1)+NH4	6183313	6839743	9720719	6369838	9769491	7915966	8313366	8628309	9950858	9524398	9078828	9245044
PG(18:1_22:6)+NH4	18141400	18870593	23111676	18490069	19698466	14350626	14893289	20605282	23179763	23530889	23084515	23131769
PG(22:6_22:6)+NH4	865146	814007	1005670	970282	1827968	2017591	1960272	1961701	2941029	2960770	2811240	2891432
PI(34:1)+NH4	4925685	6987090	4973379	6867718	1824907	1939426	2096389	2092109	4335325	655594	564847	589474
PI(24:1_10:1)+NH4	2939027	2806861	3291486	3013524	3099365	3305360	3407937	3290517	645982	633715	651199	658630
PI(18:0_18:1)+Na	12865140	13420741	16984680	9387041	19348790	20716519	20119785	20100066	23050221	16857411	22215443	22066218
PI(18:0_18:1)+NH4	2056500	3039159	2852376	1505585	1680203	1358876	1518914	1630854	723806	523202	456585	529798
PI(18:1_18:1)+H	4749027	5327747	5982176	4989935	3072897	3350663	3363018	3446418	1852052	2093178	2020905	1890221
PI(18:1_18:1)+NH4	10366638	10676746	12428241	10723976	6969351	7554195	7654185	7486752	2321603	4908333	2628221	2743245
PI(18:1_18:1)+Na	5191541	5038043	5597821	5068666	6249608	5539941	5107579	6398625	4005026	4031830	4802749	5808544
PI(36:3)+H	1284042	1332134	1474828	1298477	1596033	1911386	1748567	1893281	755702	1137834	807106	1043739
PI(16:0_20:4)+NH4	3020063	2843386	3386948	2953737	3374726	3559051	3584747	3421398	2145948	2033482	2160259	1996410
PI(16:0_20:4)+H	2236839	2209424	2602114	2362469	2063944	2111073	2010584	1933280	1231553	1089929	1060397	1121857
PI(17:0_20:4)+NH4	1318151	2839376	1443832	1268218	2527875	2473872	2512427	2564788	1787144	1773479	3819569	1705755
PI(37:4e)+Li	6083017	5983374	8385295	6028946	1523553	2247977	1691736	2238008	1003349	1179142	960256	1082133
PI(37:5e)+Li	4749769	5327584	5983188	4990064	3072911	3351021	3371661	3456358	1852308	2093244	2021087	1890167
PI(38:2)+NH4	2861160	2650126	3897731	2751463	324576	349365	645813	268514	1646480	2018088	1791939	1710895
PI(18:0_20:4)+NH4	22597935	30178733	36858601	30008647	46578931	37130132	47489990	46569514	55313948	52610362	52484855	52949958
PI(18:0_20:4)+H	12864964	13415490	16982800	9405681	19341767	20998953	20111625	20099784	23026424	15926579	22215856	22066478
PI(18:1_20:4)+NH4	10619486	10833719	12182642	10843515	14871403	15966616	16148212	15492671	11315918	11601840	11245870	10764813
PI(40:4)+NH4	2053069	2178898	2863141	2146203	1754331	1656403	1983943	1961905	2876463	2615711	2604411	2672071
PI(18:0_22:5)+NH4	3425339	3561733	4414115	3484677	3055873	3411880	3129269	3341872	3616186	3813454	3857941	3739760
PI(18:0_22:6)+NH4	2828320	2909709	3366149	2918535	2161281	2194576	2383559	2365703	2003532	2001924	1946690	1861418
PS(16:0_16:1)+H	3564727	3955768	4251245	3848953	2523709	2677985	2973802	3043088	1816114	1853540	1951553	1807972
PS(33:3e)+Li	1036985	1014339	1190141	1101788	1942885	2081842	2102885	1932845	1673681	1974811	1820466	1454127
PS(33:4e)+Li	3564727	3955768	4251245	3848953	2523709	2677985	2973802	3043088	1816114	1853540	1951553	1807972
PS(34:0)+Na	1923717	2004274	2218869	1642612	3295333	3700440	3619503	3582605	2169905	2248619	2349293	2182327
PS(16:0_18:1)+H	28393907	29303292	33553577	29922050	24622092	19771992	20292431	26406076	22388799	23246744	23686570	24029639
PS(16:1_18:1)+H	3491985	3598036	3364397	3640303	5570156	4626571	5115867	4735022	3697540	3193340	3199352	3505157
PS(34:4e)+Li	1222491	1336552	1318202	1235645	1660203	1815920	1783337	2409461	1429081	1289847	1441484	1241460
PS(35:4e)+Li	28045164	29292045	33289590	29971299	24625779	19935233	20266852	26407569	22191966	23094260	23508676	23787386
PS(18:0_18:0)+Na	5278812	5482064	5937806	5228691	4909487	5096604	5283689	5328193	7695168	7829956	7728158	7593593
PS(18:0_18:1)+H	50924344	67814933	94502925	66400369	38333185	57517239	58610062	60829131	83796338	63939118	64782725	65393175
PS(18:0_18:1)+Na	2907001	1874911	3536152	2569848	8195834	8295460	8049494	6417931	5869363	5426684	5661988	762231
PS(18:1_18:1)+Na	2796642	2906821	2393082	3022891	3313504	4651691	4551115	4253942	2456509	2377511	2547475	2413532
PS(18:1_18:1)+H	13879934	14697447	21570262	14297592	20558438	26426080	26028518	26919225	20316231	20520672	16653899	20999950
PS(18:1_18:2)+H	1923717	2004327	2194766	1642612	3295469	3682517	3606777	3582635	2169905	2220765	2344189	2182309
PS(18:3e_18:1)+Li	4921728	4412421	6274766	4898209	5612253	6492589	6175811	6257327	5652014	5722721	5967581	5801509
PS(36:5e)+Li	943371	1074886	970585	1043665	1666894	1872618	1899256	1791336	1495502	1355732	1333874	1121990
PS(37:5e)+Li	17265893	14687482	21663061	14200672	20136968	26426339	21783940	22448300	20339023	20520960	16599216	21000299
PS(18:0_20:2)+Na	13217855	13702599	18918266	12587818	13935540	20176207	14737737	20733837	17061156	16758513	16679203	17052063
PS(18:0_20:3)+H	5574971	5520353	7427403	5208629	4606029	5062829	5239276	5248904	7641908	7829812	7725324	7584336
PS(18:0_20:4)+H	5895186	6354587	7734131	6194973	12503549	13383927	13322083	13300817	3430524	3461121	3011906	5771297
PS(18:0_22:5)+H	18141400	18870593	23111676	18490069	19698466	14350626	14893289	20605282	23179763	23530889	23084515	23131769
PS(18:0_22:6)+H	17055145	18331358	21780542	12625956	16050042	11803844	12135706	17121718	13161388	9739402	13881595	9506755
PS(40:7)+H	1404994	1454411	1674548	1455051	2007561	2148419	2081655	2031570	1915852	1793794	1882990	1753767
PS(43:4e)+Li	2430024	2281611	2659990	2603963	1544063	1336360	1366501	1325309	7108515	7038694	7080386	6959928
PS(43:5e)+Li	889157	508353	589494	302941	945670	881362	839830	631967	3459735	3424126	3561913	3766762
SM(d31:1)+H	372600	343936	387831	260358	875220	908856	559955	507345	846970	538917	542382	531919
SM(d32:1)+H	14344004	14896497	12337266	14771059	27375177	29651143	28824279	28695752	34772421	36116768	35958999	35297299
SM(d32:2)+H	529218	517887	689621	526885	1304124	1499189	1361637	1338842	1378145	1425215	1332327	1400308
SM(d33:1)+H	8773723	13678361	15289716	7072605	9613486	11195764	7877784	16976243	19160959	29606853	29780650	18054271
SM(d18:0_16:1)+H	150650525	157295829	247587670	155489104	227977086	232721573	235400725	241513171	368861246	375678008	375717312	366491542
SM(d34:2)+H	16245783	23891375	31919264	23111694	31402723	26534095	33783331	33381796	55159139	56046147	57040263	55952046
SM(d35:1)+H	5347488	5288854	6785067	5660131	10662277	11216615	11308655	11182423	13157556	13104432	12989371	8278810
SM(d35:2)+H	556746	539704	1395167	481932	1275434	1410423	1352811	1587605	1892796	1756672	2201015	1822063
SM(d36:1)+H	28052820	24435140	30337644	48181378	54630767	57190128	27844495	59497656	24186953	24550535	25269783	24832496
SM(d36:4)+H	1162218	1140517	1238688	1068848	1682628	1789978	1858217	1588019	2992830	2839918	4504945	3361515
SM(d41:1)+H	17710727	13080410	13927241	13149067	14291037	19772974	20520952	14685021	14794450	15601727	16497327	16113075
SM(d41:2)+H	15698083	16415081	17891857	16458867	25609240	25004576	26190309	25001813	21329251	22411421	22459045	22267006
SM(d41:6)+H	31917867	32504918	33311738	31793835	25455564	25273683	27531090	26914113	31933619	31862400	32917343	33909281
SM(d18:1_24:0)+H	83222616	84125691	62232654	61004460	85665955	85113703	63561237	88210045	110647319	115277854	117218364	111673229
SM(d42:2)+H	136681818	137721098	115450547	141624724	180741081	179299898	188938872	182033129	226158172	228106291	236913561	222642814
SM(d42:3)+H	36224698	36559037	40595078	37406420	55873185	55251576	57729774	57140346	54899176	60062948	58571057	55676757
SM(d19:1_24:1)+H	2199775	2919287	3019430	2794572	6196124	6429819	6715528	6372411	8055732	8247804	8126698	7714234
SM(d43:5)+H	3972506	4961640	3891629	3952608	11266758	10920969	11717478	11144368	11622710	11212900	12787191	12285254
SM(d44:2)+H	1942178	2112840	2182558	2076440	2671158	3317737	3208710	2851480	4432886	4747746	4881068	3303488
SM(d44:4)+H	1232939	1014026	1210374	1000004	992460	1118359	1014057	903152	1553199	1443129	1885305	1695904
SM(t34:1)+H	232429	186515	264210	195957	321438	182191	306241	362099	785052	849362	1005167	717250
SM(t34:2)+H	415929	455172	626623	438878	806404	790436	863495	802244	2654791	2679637	2737687	2704126
SPH(d18:0)+H	1571113	1663798	1865665	1621429	443230	211081	487882	317577	356362	613103	671944	649509
SPH(d18:1)+H	3429212	2317055	2516080	2121743	750199	763172	821199	743166	1118651	1315431	1250635	1196536
SPH(t18:0)+H	772170	1051475	1200337	1152273	388207	417763	385370	484075	593505	601641	569144	614309
ST(t38:4)+NH4	4749769	5327584	5983188	4990064	3072911	3351021	3371661	3456358	1852308	2093244	2021087	1890167
TG(12:0_12:0_12:0)+NH4	277731	203555	321554	318952	205671	229656	270522	195762	339672	348615	445988	481860
TG(12:0e_6:0_18:0)+H	1494101	1574055	1693350	1842708	1588743	1305577	1872480	1574878	1708438	1907026	1302936	1646665
TG(37:0)+H	3263614	2905170	2772037	3143202	2546671	2904979	2833508	2621681	2973664	2732468	2565328	3076647
TG(12:0e_6:0_20:4)+H	909312	626681	598881	597742	2043263	2048483	2029056	1745075	3456654	2585339	3214255	3098456
TG(40:2)+Li	1648964	957572	1364357	1496168	1597871	1260053	1511737	1603034	2491687	2731665	1756949	2472860
TG(14:0_14:0_14:0)+NH4	721199	530682	529648	636462	445771	407529	283526	313000	353558	236969	341597	333183
TG(16:0_14:0_14:0)+NH4	2859116	1376033	1715473	2111128	1302361	1258304	1348471	1793832	764688	815025	894440	928836
TG(18:1_12:0_14:0)+NH4	1772222	1421117	1267954	1652471	826867	848035	696284	785965	350047	272886	404428	235501
TG(44:6e)+NH4	2585701	4124274	3100115	2886043	2446042	5009911	2701177	2651274	2837180	3061540	2425122	2934389
TG(15:0_14:0_16:0)+NH4	1465228	960748	942177	1112062	1655173	1242946	1337705	1441176	683975	858108	924367	896255
TG(16:0_14:0_16:0)+NH4	6706110	3471465	5251780	4762174	4335431	3718138	4834466	4295230	1590582	2129609	1796299	2175691
TG(16:0_14:0_16:1)+NH4	10175644	7832590	8535066	9085071	6917939	5171736	6548267	6272254	1221072	1379404	1341201	1250583
TG(16:1_14:0_16:1)+NH4	1760176	1634425	1949788	1891807	2210917	2018240	2098377	2100738	408478	436907	588486	494263
TG(46:8)+H	48458918	71453171	53347297	48078762	94537279	85513951	94549027	127682220	107675009	114247959	112474687	109586878
TG(15:0_16:0_16:0)+NH4	2990008	1688353	2225329	2317850	3191294	2194842	1988175	2666857	1276588	1142217	1103410	1391931
TG(16:0_14:0_17:1)+NH4	4269522	2029541	3601272	3736668	4583381	3843638	4977660	4198023	883421	897166	967278	860164
TG(16:1_14:0_17:1)+NH4	1110738	930904	944036	1027284	2546087	1683436	1993264	1989794	257183	328658	401906	268606
TG(16:0_16:0_16:0)+NH4	14368551	7477633	9869666	11087026	10387239	6786710	9555695	11959002	2863483	3608052	2253147	3248478
TG(16:0_14:0_18:1)+NH4	54679004	29657865	38813907	42913726	32534931	24091475	30798543	30057717	4496219	4389731	3821236	4691643
TG(16:1_14:0_18:1)+NH4	13541794	11571203	12032748	14135916	21865302	17375632	21583221	20096493	2264903	2358369	2127227	2305219
TG(16:1_16:1_16:1)+NH4	1436036	1305615	1435252	1405787	4467148	4018049	4890000	4119020	561764	657282	558640	571387
TG(16:0_16:0_17:0)+NH4	4008033	1977487	3307063	3359787	3656113	2457992	3393077	4234963	846416	1031179	619403	955180
TG(16:0_16:0_17:1)+NH4	14729678	6904585	10960123	11911648	14597406	10473794	13947110	13325283	1728982	1887159	1407730	1689810
TG(18:1_14:0_17:1)+NH4	6938862	4963022	6696610	6411617	11578519	10082927	12604279	11925880	1302088	1192407	1051437	1174689
TG(16:1_16:1_17:1)+NH4	660260	445578	685481	716823	3231984	2501375	3304663	2961901	193253	186420	148997	212693
TG(16:0_16:0_18:1)+NH4	123658396	51785484	79863361	89690137	65029998	43728511	63737866	69070338	6600278	8085918	5161855	7437600
TG(16:0e_16:0_18:1)+NH4	6000917	2190374	3925475	3768311	1339385	682468	1346172	1694993	608378	795228	308121	646421
TG(16:0_16:1_18:1)+NH4	84439259	57225579	76187016	78442756	82508641	62033437	81127196	79292238	7401474	6993676	5905159	6434738
TG(16:0_16:1_18:2)+NH4	12083300	8832351	11224506	10808683	39548915	31644406	39354393	36750308	2707129	2789579	2143422	2747620
TG(14:0_14:0_22:4)+NH4	1554289	1169804	1524243	1840497	11939822	9916182	12117530	11028806	726706	788856	762823	821044
TG(16:1_14:0_20:4)+NH4	327431	305342	345076	250772	3901334	3682594	3947464	3912716	314964	301931	288795	353068
TG(19:1_16:0_16:0)+NH4	20722109	8796618	14574204	15210042	16703527	11578163	17882121	19390365	1587773	1993134	1084400	1657203
TG(16:0_17:1_18:1)+NH4	23371813	15364263	21354602	21561253	31746505	23591768	31220681	30891973	2017987	2517508	1742338	2309569
TG(17:1_17:1_17:1)+NH4	4688317	3482714	4601865	4497485	17478078	14106532	16795301	16002133	1152593	964558	905937	990213
TG(15:0_18:2_18:2)+NH4	583900	535141	633951	486428	6303581	5293729	6037864	5967106	279140	163873	215481	180891
TG(51:5)+NH4	295629	126848	228865	60292	2732841	1910176	2636675	2784755	94271	43805	87679	106446
TG(18:0_16:0_18:1)+NH4	102643396	39128413	67047957	72845710	58643745	32546365	59036098	66995144	4673391	6054189	2850894	5119810
TG(16:0_18:1_18:1)+NH4	184581471	110380005	158394683	171744284	140998737	93599645	140422157	144969230	8514701	10185199	6469909	9920685
TG(16:1_18:1_18:1)+NH4	53830830	35761505	48843384	47414221	111092217	83703460	108960355	104119322	6292826	7322061	4788581	6664273
TG(16:1_18:1_18:2)+NH4	9960798	6889898	9106287	8883400	63727421	48711121	61947657	60098419	3140644	3200289	2475912	3149968
TG(16:0_16:1_20:4)+NH4	2215702	1983717	2043393	2188954	34670641	28258470	34446103	35100846	1642245	1622630	1417335	1480071
TG(14:0_18:2_20:4)+NH4	889621	681047	790643	774673	13832270	11383392	14669298	15315938	829346	693995	587960	702791
TG(19:1_16:0_18:1)+NH4	24353792	12728051	19912029	21238767	24985554	16139122	25815879	26614399	1557254	1741088	953807	1570916
TG(18:1_17:1_18:1)+NH4	12059837	7747121	11151523	11014301	27888979	18413526	22911363	27119653	1377390	1550234	931299	1438383
TG(18:1_17:1_18:2)+NH4	2258355	1629044	2251293	2261611	18600387	14116463	18254127	17462539	692001	746163	506617	727104
TG(15:0_16:0_22:5)+NH4	724297	705843	618559	649975	14888134	11976425	15158301	14736968	393548	566041	313395	413707
TG(16:1_17:1_20:4)+NH4	1896515	1423966	563692	666576	5803671	4925180	7731286	5565636	1252008	561706	380989	619842
TG(18:0_18:1_18:1)+NH4	85998984	38294535	69094339	69153846	54064083	30713871	55358339	60641565	3541150	4555487	2130052	3851749
TG(18:1_18:1_18:1)+NH4	73412530	44235144	64532268	68428069	95947278	64476575	95599205	97718682	5543614	6348616	3825919	4918728
TG(18:1_18:1_18:2)+NH4	22564705	13390865	18247911	20585012	104409690	76173036	99442551	101407796	4713530	5405238	3691169	4704553
TG(16:0_18:1_20:4)+NH4	11145210	7718732	10349025	10366875	126090766	94104692	119468454	119960742	4623103	4792879	3729526	4863555
TG(16:1_18:1_20:4)+NH4	5675094	3887093	5148289	5264705	92639765	73211326	90668524	87666470	3509655	3388568	2846790	3425050
TG(16:0_16:1_22:6)+NH4	1199955	1028610	1205978	1142989	30547632	25667968	32049659	29773801	1488937	1275122	1225020	1361744
TG(16:1_16:1_22:6)+NH4	81147	73750	117930	65152	5787275	5641182	6039740	5533605	279870	239132	249023	262398
TG(19:1_18:0_18:1)+NH4	8914424	3900905	7121380	7261065	7181430	4311650	7087063	8062092	530664	604205	259838	557487
TG(19:1_18:1_18:1)+NH4	6862750	3748717	5615309	6178482	11877735	7460575	11897512	12553329	599522	791101	351259	595141
TG(19:1_18:1_18:2)+NH4	2766066	1648404	2538617	2621416	16011415	11812247	16487350	16785485	557091	611701	388359	574542
TG(16:0_17:1_22:4)+NH4	1839348	1081298	1645720	1659890	24851330	18512871	24435396	24299615	789644	701198	500835	703541
TG(18:0_18:1_20:0)+NH4	5281022	1714693	3874800	4037368	2729676	870687	2795403	3546006	284527	200083	114285	223281
TG(20:1_18:1_18:1)+NH4	17142900	8155046	14185982	14302391	19475526	10051143	18978383	21801526	1017778	1446113	586212	1156874
TG(18:1_18:1_20:2)+NH4	11191406	5854220	9167988	9983147	48987384	29798419	49149105	52277671	1997039	2360843	1164718	2029094
TG(16:0_18:1_22:4)+NH4	12659348	7568951	11314472	11247053	120417779	83898218	116159767	122342562	3919513	4495415	2714623	4339462
TG(16:0_18:1_22:5)+NH4	12341191	8094909	10051682	11268134	162631299	118734359	156475225	156430325	6164790	6119566	4321368	5990804
TG(16:1_18:1_22:5)+NH4	6969038	4820583	5543723	6066480	124769607	99171493	124989398	119251669	4633510	4326268	3515508	4500377
TG(16:1_18:1_22:6)+NH4	930324	690163	820232	717187	52894440	38754933	45607383	44091169	1272041	1284031	1131029	1286837
TG(18:1_18:1_21:1)+NH4	3320648	1582788	2789682	2910196	4720339	2856861	4811311	5232562	245404	296662	85552	288889
TG(57:4)+NH4	1629246	871741	1275542	1305180	7298337	4337354	7606283	8119004	256881	323631	154103	230743
TG(17:0_18:1_22:4)+NH4	1373188	818212	1217450	1230921	16123313	10979748	16180598	16497679	396212	520788	275140	511699
TG(18:1_17:1_22:4)+NH4	1235224	765476	1032634	1130128	23007490	16510872	22611532	23023664	670318	809552	573316	723214
TG(18:2_20:4_20:4)+NH4	181901	57700	79041	89346	26718809	23249605	25146982	27093504	348735	262753	306305	358075
TG(16:0_18:1_24:1)+NH4	8755179	1440726	4958307	5372027	3558746	1110363	4017747	5213782	306143	387033	167311	318094
TG(18:1_18:1_22:1)+NH4	7404894	2331526	4978518	4606556	5455033	2730652	6317718	7595428	331387	388322	88549	356825
TG(18:0_18:1_22:3)+NH4	3990242	1619475	2828805	2979555	13227691	6624995	13679787	15543784	412917	604831	210205	482823
TG(18:0_18:1_22:4)+NH4	5173907	2500683	4267321	4499129	41678347	24846729	42402602	41649791	1211527	1241313	642564	1232914
TG(18:1_18:1_22:4)+NH4	7106710	4360582	5822639	6844700	87251238	58085417	85119141	93130865	2818589	2896258	1703007	2663217
TG(18:1_18:1_22:5)+NH4	5624885	3375778	5729839	4993223	102785421	67859215	93816866	101065729	3754395	3981095	2116035	3267555
TG(18:1_18:1_22:6)+NH4	2671425	1797850	2572194	2662415	94583576	72122951	91284862	91599060	2666435	2531289	1913090	2580759
TG(18:1_18:2_22:6)+NH4	340933	375198	429993	445325	58457475	46122644	58394282	58747171	898176	850735	723056	903404
TG(19:1_18:1_22:4)+NH4	625316	304317	564904	561583	9354545	6254904	9361218	9823569	220156	301960	190158	261043
TG(19:1_18:1_22:5)+NH4	322494	313240	372407	486323	9352570	6820051	9429884	9883890	302438	297581	189884	289471
TG(16:0_22:5_22:5)+NH4	251009	180545	232852	327560	53588493	41493380	53563339	54367589	798168	683734	624780	813228
TG(16:0_22:6_22:6)+NH4	22842	0	22697	23443	12230014	10407283	12356728	12650931	181599	140848	149577	188660
TG(18:1_18:1_24:0)+NH4	3714352	704620	1879347	1852636	1064181	206510	1583684	2073341	87388	184746	21363	95412
TG(18:1_18:1_24:1)+NH4	4439096	997383	2576881	2710297	2527523	965003	2954615	3621884	154160	242563	33934	184685
TG(18:1_18:1_24:2)+NH4	2055414	564726	1388596	1202558	4157063	1855600	4772093	5921734	127187	195259	34299	171640
TG(18:1_20:4_22:0)+NH4	1824553	682849	1207464	1159967	9909292	4853383	10599971	12280104	233011	284505	100143	281019
TG(20:1_18:1_22:4)+NH4	2307755	1143692	1876285	1825621	17824210	10604915	19545879	21813018	434638	574248	278416	451995
TG(20:1_18:1_22:5)+NH4	1977126	1083632	1693485	1921520	25608074	16890773	25924561	27567214	735253	896384	490527	824541
TG(18:1_20:3_22:4)+NH4	985781	612781	897672	705986	36031658	26211778	35555679	36446625	859551	973046	592276	898324
TG(61:6e)+K	113131	48301	96304	76211	19814175	14431702	19216446	20415693	338384	270135	219411	329713
TG(61:7e)+K	88429	20955	49557	49999	19563124	14706798	19692144	17051278	316615	317312	295929	264037
TG(18:1_22:5_22:5)+NH4	58608	96140	110371	122572	29291132	22980070	25466211	29911228	474789	406975	375367	505267
TG(18:1_22:5_22:6)+NH4	73542	34549	39747	54077	18172837	16575716	21235544	21131583	287346	241902	215034	239862
TG(18:1_22:6_22:6)+NH4	10330	13055	0	0	9307292	7344135	9081117	9187511	79383	65776	65153	98610
TG(26:1_18:1_18:1)+NH4	1042241	140208	536983	537189	413044	114199	686533	989269	34966	79821	9052	47661
ZyE()+H-H2O	17626565	9152297	10818292	9424483	24070996	23014225	24691091	23085886	8118059	8384318	8295595	8452665
ZyE(13:0)+H	2098039	1777406	1574018	1840762	1685594	1910800	1567789	1320037	1991342	1633675	1899048	1861073
ZyE(20:4)+NH4	5463361	4994179	5624580	5398243	3580773	3638669	4884248	4916885	4596798	4015659	4130547	4059402
ZyE(22:5)+H	1649001	957440	1364358	1497386	1597871	1262008	1511840	1605923	2491693	2731665	1756958	2470282
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	CalcMz	IonFormula
AcCa(14:0)+H	372.3108355	C21 H42 O4 N1
Cer(d18:1_16:0)+H	538.5193705	C34 H68 O3 N1
Cer(d18:1_16:0)+H-H2O	520.5088055	C34 H66 O2 N1
Cer(d18:1_18:0)+H	566.5506705	C36 H72 O3 N1
Cer(d36:1)+H-H2O	548.5401055	C36 H70 O2 N1
Cer(d18:2_18:0)+H	564.5350205	C36 H70 O3 N1
Cer(d16:1_22:0)+H	594.5819705	C38 H76 O3 N1
Cer(d18:1_22:0)+H	622.6132705	C40 H80 O3 N1
Cer(d18:2_22:0)+H	620.5976205	C40 H78 O3 N1
Cer(d40:2)+H-H2O	602.5870555	C40 H76 O2 N1
Cer(d18:1_23:0)+H	636.6289205	C41 H82 O3 N1
Cer(d41:1)+H-H2O	618.6183555	C41 H80 O2 N1
Cer(d18:2_23:0)+H	634.6132705	C41 H80 O3 N1
Cer(d18:1_24:0)+H	650.6445705	C42 H84 O3 N1
Cer(d42:1)+H-H2O	632.6340055	C42 H82 O2 N1
Cer(d18:1_24:1)+H	648.6289205	C42 H82 O3 N1
Cer(d42:2)+H-H2O	630.6183555	C42 H80 O2 N1
Cer(d18:2_24:1)+H	646.6132705	C42 H80 O3 N1
Cer(d42:3)+H-H2O	628.6027055	C42 H78 O2 N1
Cer(d18:1_25:0)+H	664.6602205	C43 H86 O3 N1
Cer(d44:1+O)+H-H2O	676.6602205	C44 H86 O3 N1
Cer(d18:1_26:1)+H	676.6602205	C44 H86 O3 N1
Cer(t18:0_16:0)+H-H2O	538.5193705	C34 H68 O3 N1
Cer(t18:0_16:0)+H-2H2O	520.5088055	C34 H66 O2 N1
Cer(t18:0_18:0)+H-H2O	566.5506705	C36 H72 O3 N1
Cer(t18:0_18:0)+H-2H2O	548.5401055	C36 H70 O2 N1
Cer(t16:0_22:0)+H-H2O	594.5819705	C38 H76 O3 N1
Cer(t18:0_22:0)+H-H2O	622.6132705	C40 H80 O3 N1
Cer(t18:0_22:0)+H-2H2O	604.6027055	C40 H78 O2 N1
Cer(t18:1_22:0)+H-H2O	620.5976205	C40 H78 O3 N1
Cer(t40:1)+H-2H2O	602.5870555	C40 H76 O2 N1
Cer(t18:0_23:0)+H-H2O	636.6289205	C41 H82 O3 N1
Cer(t41:0)+H-2H2O	618.6183555	C41 H80 O2 N1
Cer(t18:1_23:0)+H-H2O	634.6132705	C41 H80 O3 N1
Cer(t18:0_24:0)+H-2H2O	632.6340055	C42 H82 O2 N1
Cer(t18:0_24:0)+H-H2O	650.6445705	C42 H84 O3 N1
Cer(t18:0_24:1)+H-H2O	648.6289205	C42 H82 O3 N1
Cer(t18:0_24:1)+H-2H2O	630.6183555	C42 H80 O2 N1
Cer(t18:1_24:1)+H-H2O	646.6132705	C42 H80 O3 N1
Cer(t18:1_24:1)+H-2H2O	628.6027055	C42 H78 O2 N1
Cer(t18:0_25:0)+H-H2O	664.6602205	C43 H86 O3 N1
Cer(t18:0_26:0)+H-H2O	678.6758705	C44 H88 O3 N1
Cer(t18:0_26:1)+H-H2O	676.6602205	C44 H86 O3 N1
CerG2GNAc1(d39:1)+H	1135.782644	C59 H111 O18 N2
CerG2GNAc1(t39:0)+H-H2O	1135.782644	C59 H111 O18 N2
ChE()+H-H2O	369.3515765	C27 H45 O0
ChE(16:1)+NH4	640.6027055	C43 H78 O2 N1
ChE(18:1)+NH4	668.6340055	C45 H82 O2 N1
ChE(18:2)+NH4	666.6183555	C45 H80 O2 N1
ChE(18:3)+NH4	664.6027055	C45 H78 O2 N1
ChE(20:1)+NH4	696.6653055	C47 H86 O2 N1
ChE(20:2)+NH4	694.6496555	C47 H84 O2 N1
ChE(20:3)+NH4	692.6340055	C47 H82 O2 N1
ChE(20:4)+NH4	690.6183555	C47 H80 O2 N1
ChE(20:5)+NH4	688.6027055	C47 H78 O2 N1
ChE(22:1)+NH4	724.6966055	C49 H90 O2 N1
ChE(22:3)+NH4	720.6653055	C49 H86 O2 N1
ChE(22:4)+NH4	718.6496555	C49 H84 O2 N1
ChE(22:5)+NH4	716.6340055	C49 H82 O2 N1
ChE(22:6)+NH4	714.6183555	C49 H80 O2 N1
ChE(24:1)+NH4	752.7279055	C51 H94 O2 N1
ChE(24:3)+NH4	748.6966055	C51 H90 O2 N1
ChE(24:4)+NH4	746.6809555	C51 H88 O2 N1
ChE(24:5)+NH4	744.6653055	C51 H86 O2 N1
ChE(24:6)+NH4	742.6496555	C51 H84 O2 N1
ChE(26:2)+NH4	778.7435555	C53 H96 O2 N1
ChE(26:4)+NH4	774.7122555	C53 H92 O2 N1
ChE(26:5)+NH4	772.6966055	C53 H90 O2 N1
ChE(26:6)+NH4	770.6809555	C53 H88 O2 N1
CL(66:2)+H	1377.979507	C75 H143 O17 P2
CL(68:2)+H	1406.010807	C77 H147 O17 P2
CL(68:3)+H	1403.995157	C77 H145 O17 P2
CL(70:3)+H	1432.026457	C79 H149 O17 P2
CL(70:5)+H	1427.995157	C79 H145 O17 P2
CL(72:6)+H	1454.010807	C81 H147 O17 P2
CL(72:7)+H	1451.995157	C81 H145 O17 P2
Co(Q10)+NH4	880.7177355	C59 H94 O4 N1
Co(Q10)+H	863.6911865	C59 H91 O4
DG(9:0_9:0)+H	373.2948515	C21 H41 O5
DG(18:2e)+H	355.2842865	C21 H39 O4
DG(16:0_14:0)+NH4	558.5092005	C33 H68 O5 N1
DG(30:0e)+Na	549.4853315	C33 H66 O4 Na1
DG(16:0_16:0)+NH4	586.5405005	C35 H72 O5 N1
DG(16:0_16:0)+H	569.5139515	C35 H69 O5
DG(32:0e)+Na	577.5166315	C35 H70 O4 Na1
DG(16:0_16:1)+NH4	584.5248505	C35 H70 O5 N1
DG(32:1e)+Na	575.5009815	C35 H68 O4 Na1
DG(32:2e)+H	551.5033865	C35 H67 O4
DG(32:2e)+Na	573.4853315	C35 H66 O4 Na1
DG(32:3e)+H	549.4877365	C35 H65 O4
DG(16:0_17:0)+NH4	600.5561505	C36 H74 O5 N1
DG(18:0_16:0)+NH4	614.5718005	C37 H76 O5 N1
DG(18:0_16:0)+H	597.5452515	C37 H73 O5
DG(16:0_18:1)+NH4	612.5561505	C37 H74 O5 N1
DG(34:1)+H	595.5296015	C37 H71 O5
DG(34:1e)+Na	603.5322815	C37 H72 O4 Na1
DG(16:1_18:1)+NH4	610.5405005	C37 H72 O5 N1
DG(34:2e)+Na	601.5166315	C37 H70 O4 Na1
DG(34:3e)+H	577.5190365	C37 H69 O4
DG(34:4e)+H	575.5033865	C37 H67 O4
DG(17:0_18:1)+NH4	626.5718005	C38 H76 O5 N1
DG(18:0_18:0)+NH4	642.6031005	C39 H80 O5 N1
DG(18:0_18:0)+H	625.5765515	C39 H77 O5
DG(18:0_18:1)+NH4	640.5874505	C39 H78 O5 N1
DG(18:1_18:1)+NH4	638.5718005	C39 H76 O5 N1
DG(36:2e)+H	607.5659865	C39 H75 O4
DG(18:1_18:2)+NH4	636.5561505	C39 H74 O5 N1
DG(36:3e)+H	605.5503365	C39 H73 O4
DG(36:3e)+Na	627.5322815	C39 H72 O4 Na1
DG(36:4e)+Na	625.5166315	C39 H70 O4 Na1
DG(36:4e)+H	603.5346865	C39 H71 O4
DG(36:5e)+H	601.5190365	C39 H69 O4
DG(18:0_20:0)+NH4	670.6344005	C41 H84 O5 N1
DG(20:0_18:1)+NH4	668.6187505	C41 H82 O5 N1
DG(20:1_18:1)+NH4	666.6031005	C41 H80 O5 N1
DG(18:0_20:4)+NH4	662.5718005	C41 H76 O5 N1
DG(38:5)+NH4	660.5561505	C41 H74 O5 N1
DG(16:0_24:1)+NH4	696.6500505	C43 H86 O5 N1
DG(18:0_22:5)+NH4	688.5874505	C43 H78 O5 N1
DG(26:0_16:0)+NH4	726.6970005	C45 H92 O5 N1
DG(26:1_16:0)+NH4	724.6813505	C45 H90 O5 N1
GM3(d34:1)+H	1153.720439	C57 H105 O21 N2
GM3(d36:1)+H	1181.751739	C59 H109 O21 N2
GM3(d40:1)+H	1237.814339	C63 H117 O21 N2
GM3(d42:1)+H	1265.845639	C65 H121 O21 N2
GM3(d42:2)+H	1263.829989	C65 H119 O21 N2
GM3(t40:0)+H-H2O	1237.814339	C63 H117 O21 N2
GM3(t42:0+O)+H-2H2O	1263.829989	C65 H119 O21 N2
Hex1Cer(d18:1_16:0)+H	700.5721955	C40 H78 O8 N1
Hex1Cer(d18:1_18:0)+H	728.6034955	C42 H82 O8 N1
Hex1Cer(d36:1)+H-H2O	710.5929305	C42 H80 O7 N1
Hex1Cer(d18:1_23:0)+H	798.6817455	C47 H92 O8 N1
Hex1Cer(d18:1_24:0)+H	812.6973955	C48 H94 O8 N1
Hex1Cer(d42:1)+H-H2O	794.6868305	C48 H92 O7 N1
Hex1Cer(d18:1_24:1)+H	810.6817455	C48 H92 O8 N1
Hex1Cer(d42:2)+H-H2O	792.6711805	C48 H90 O7 N1
Hex1Cer(d18:1_25:0)+H	826.7130455	C49 H96 O8 N1
Hex1Cer(d18:1_26:0)+H	840.7286955	C50 H98 O8 N1
Hex1Cer(t18:0_23:0)+H-H2O	798.6817455	C47 H92 O8 N1
Hex1Cer(t18:0_24:0)+H-H2O	812.6973955	C48 H94 O8 N1
Hex1Cer(t42:0)+H-2H2O	794.6868305	C48 H92 O7 N1
Hex2Cer(d18:1_22:0)+H	946.7189205	C52 H100 O13 N1
Hex2Cer(d18:1_22:1)+H	944.7032705	C52 H98 O13 N1
Hex2Cer(d18:1_23:0)+H	960.7345705	C53 H102 O13 N1
Hex2Cer(d18:1_23:1)+H	958.7189205	C53 H100 O13 N1
Hex2Cer(d18:1_24:0)+H	974.7502205	C54 H104 O13 N1
Hex2Cer(d42:1)+H-H2O	956.7396555	C54 H102 O12 N1
Hex2Cer(d18:1_24:1)+H	972.7345705	C54 H102 O13 N1
Hex2Cer(d18:1_24:2)+H	970.7189205	C54 H100 O13 N1
Hex2Cer(d18:1_25:1)+H	986.7502205	C55 H104 O13 N1
Hex2Cer(d18:1_26:1)+H	1000.76587	C56 H106 O13 N1
Hex2Cer(t18:0_22:0)+H-H2O	946.7189205	C52 H100 O13 N1
Hex2Cer(t18:0_23:0)+H-H2O	960.7345705	C53 H102 O13 N1
Hex2Cer(t18:0_24:0)+H-H2O	974.7502205	C54 H104 O13 N1
Hex2Cer(t18:0_24:1)+H-H2O	972.7345705	C54 H102 O13 N1
Hex2Cer(t42:1)+H-2H2O	954.7240055	C54 H100 O12 N1
Hex3Cer(d18:1_16:0)+H	1024.677845	C52 H98 O18 N1
Hex3Cer(d18:1_22:0)+H	1108.771745	C58 H110 O18 N1
Hex3Cer(d18:1_24:0)+H	1136.803045	C60 H114 O18 N1
Hex3Cer(d18:1_24:1)+H	1134.787395	C60 H112 O18 N1
Hex3Cer(d42:3)+H	1132.771745	C60 H110 O18 N1
Hex3Cer(t18:0_16:0)+H-H2O	1024.677845	C52 H98 O18 N1
Hex3Cer(t18:0_22:0)+H-H2O	1108.771745	C58 H110 O18 N1
Hex3Cer(t18:0_24:0)+H-H2O	1136.803045	C60 H114 O18 N1
Hex3Cer(t18:0_24:1)+H-H2O	1134.787395	C60 H112 O18 N1
LPC(14:0)+H	468.3084685	C22 H47 O7 N1 P1
LPC(16:0)+H	496.3397685	C24 H51 O7 N1 P1
LPC(16:0e)+H	482.3605035	C24 H53 O6 N1 P1
LPC(16:1)+H	494.3241185	C24 H49 O7 N1 P1
LPC(16:1e)+H	480.3448535	C24 H51 O6 N1 P1
LPC(17:0)+H	510.3554185	C25 H53 O7 N1 P1
LPC(18:0)+H	524.3710685	C26 H55 O7 N1 P1
LPC(18:0e)+H	510.3918035	C26 H57 O6 N1 P1
LPC(18:1)+H	522.3554185	C26 H53 O7 N1 P1
LPC(18:1e)+H	508.3761535	C26 H55 O6 N1 P1
LPC(18:2)+H	520.3397685	C26 H51 O7 N1 P1
LPC(20:4)+H	544.3397685	C28 H51 O7 N1 P1
LPC(28:0)+H	664.5275685	C36 H75 O7 N1 P1
LPE(16:0)+H	454.2928185	C21 H45 O7 N1 P1
LPE(18:0)+H	482.3241185	C23 H49 O7 N1 P1
LPE(18:1)+H	480.3084685	C23 H47 O7 N1 P1
LPE(22:5)+H	528.3084685	C27 H47 O7 N1 P1
LPS(18:0)+H	526.3139485	C24 H49 O9 N1 P1
LPS(18:1)+H	524.2982985	C24 H47 O9 N1 P1
LSM(d20:1)+H	493.3764875	C25 H54 O5 N2 P1
LSM(d20:2)+H	491.3608375	C25 H52 O5 N2 P1
MG(14:0)+H	303.2529865	C17 H35 O4
MG(16:0)+H	331.2842865	C19 H39 O4
MG(16:0)+NH4	348.3108355	C19 H42 O4 N1
MG(17:0)+H	345.2999365	C20 H41 O4
MG(18:0)+H	359.3155865	C21 H43 O4
MG(18:0)+NH4	376.3421355	C21 H46 O4 N1
MG(18:1)+H	357.2999365	C21 H41 O4
MG(18:2)+H	355.2842865	C21 H39 O4
MG(20:0)+H	387.3468865	C23 H47 O4
MG(32:0)+H	555.5346865	C35 H71 O4
MG(34:0)+H	583.5659865	C37 H75 O4
PC(26:0)+H	650.4755335	C34 H69 O8 N1 P1
PC(28:0)+H	678.5068335	C36 H73 O8 N1 P1
PC(28:1)+H	676.4911835	C36 H71 O8 N1 P1
PC(29:0)+H	692.5224835	C37 H75 O8 N1 P1
PC(29:1)+H	690.5068335	C37 H73 O8 N1 P1
PC(16:1_13:0)+H	690.5068335	C37 H73 O8 N1 P1
PC(30:0)+H	706.5381335	C38 H77 O8 N1 P1
PC(30:0e)+H	692.5588685	C38 H79 O7 N1 P1
PC(30:1)+H	704.5224835	C38 H75 O8 N1 P1
PC(14:1e_16:0)+H	690.5432185	C38 H77 O7 N1 P1
PC(30:2)+H	702.5068335	C38 H73 O8 N1 P1
PC(31:0)+H	720.5537835	C39 H79 O8 N1 P1
PC(31:1)+H	718.5381335	C39 H77 O8 N1 P1
PC(18:1_13:0)+H	718.5381335	C39 H77 O8 N1 P1
PC(21:0_10:2)+H	716.5224835	C39 H75 O8 N1 P1
PC(31:2)+H	716.5224835	C39 H75 O8 N1 P1
PC(16:0_16:0)+H	734.5694335	C40 H81 O8 N1 P1
PC(32:0e)+H	720.5901685	C40 H83 O7 N1 P1
PC(16:0_16:1)+H	732.5537835	C40 H79 O8 N1 P1
PC(32:1e)+H	718.5745185	C40 H81 O7 N1 P1
PC(32:2)+H	730.5381335	C40 H77 O8 N1 P1
PC(32:3)+H	728.5224835	C40 H75 O8 N1 P1
PC(33:0)+H	748.5850835	C41 H83 O8 N1 P1
PC(33:1)+H	746.5694335	C41 H81 O8 N1 P1
PC(33:2)+H	744.5537835	C41 H79 O8 N1 P1
PC(33:4)+H	740.5224835	C41 H75 O8 N1 P1
PC(34:0)+H	762.6007335	C42 H85 O8 N1 P1
PC(16:0_18:1)+H	760.5850835	C42 H83 O8 N1 P1
PC(17:1_17:0)+H	760.5850835	C42 H83 O8 N1 P1
PC(34:1e)+H	746.6058185	C42 H85 O7 N1 P1
PC(34:2)+H	758.5694335	C42 H81 O8 N1 P1
PC(34:3)+H	756.5537835	C42 H79 O8 N1 P1
PC(34:4)+H	754.5381335	C42 H77 O8 N1 P1
PC(14:1e_20:4)+H	738.5432185	C42 H77 O7 N1 P1
PC(35:1)+H	774.6007335	C43 H85 O8 N1 P1
PC(35:2)+H	772.5850835	C43 H83 O8 N1 P1
PC(35:3)+H	770.5694335	C43 H81 O8 N1 P1
PC(35:4)+H	768.5537835	C43 H79 O8 N1 P1
PC(22:6_13:0)+H	764.5224835	C43 H75 O8 N1 P1
PC(36:1)+H	788.6163835	C44 H87 O8 N1 P1
PC(36:1e)+H	774.6371185	C44 H89 O7 N1 P1
PC(36:2)+H	786.6007335	C44 H85 O8 N1 P1
PC(36:2e)+H	772.6214685	C44 H87 O7 N1 P1
PC(36:3)+H	784.5850835	C44 H83 O8 N1 P1
PC(36:4)+H	782.5694335	C44 H81 O8 N1 P1
PC(36:4e)+H	768.5901685	C44 H83 O7 N1 P1
PC(36:5)+H	780.5537835	C44 H79 O8 N1 P1
PC(36:5e)+H	766.5745185	C44 H81 O7 N1 P1
PC(36:6)+H	778.5381335	C44 H77 O8 N1 P1
PC(16:1_21:0)+H	802.6320335	C45 H89 O8 N1 P1
PC(37:2)+H	800.6163835	C45 H87 O8 N1 P1
PC(37:3)+H	798.6007335	C45 H85 O8 N1 P1
PC(37:4)+H	796.5850835	C45 H83 O8 N1 P1
PC(37:5)+H	794.5694335	C45 H81 O8 N1 P1
PC(37:6)+H	792.5537835	C45 H79 O8 N1 P1
PC(38:0e)+H	804.6840685	C46 H95 O7 N1 P1
PC(38:1)+H	816.6476835	C46 H91 O8 N1 P1
PC(38:1e)+H	802.6684185	C46 H93 O7 N1 P1
PC(38:2)+H	814.6320335	C46 H89 O8 N1 P1
PC(38:3)+H	812.6163835	C46 H87 O8 N1 P1
PC(38:4)+H	810.6007335	C46 H85 O8 N1 P1
PC(20:4e_18:0)+H	796.6214685	C46 H87 O7 N1 P1
PC(38:5)+H	808.5850835	C46 H83 O8 N1 P1
PC(38:5e)+H	794.6058185	C46 H85 O7 N1 P1
PC(38:6)+H	806.5694335	C46 H81 O8 N1 P1
PC(38:6e)+H	792.5901685	C46 H83 O7 N1 P1
PC(38:7)+H	804.5537835	C46 H79 O8 N1 P1
PC(39:1)+H	830.6633335	C47 H93 O8 N1 P1
PC(39:2)+H	828.6476835	C47 H91 O8 N1 P1
PC(18:1_21:1)+H	828.6476835	C47 H91 O8 N1 P1
PC(39:4)+H	824.6163835	C47 H87 O8 N1 P1
PC(39:5)+H	822.6007335	C47 H85 O8 N1 P1
PC(39:6)+H	820.5850835	C47 H83 O8 N1 P1
PC(39:7)+H	818.5694335	C47 H81 O8 N1 P1
PC(40:0)+H	846.6946335	C48 H97 O8 N1 P1
PC(40:1)+H	844.6789835	C48 H95 O8 N1 P1
PC(40:1e)+H	830.6997185	C48 H97 O7 N1 P1
PC(40:2)+H	842.6633335	C48 H93 O8 N1 P1
PC(40:3)+H	840.6476835	C48 H91 O8 N1 P1
PC(40:4)+H	838.6320335	C48 H89 O8 N1 P1
PC(40:4e)+H	824.6527685	C48 H91 O7 N1 P1
PC(40:5)+H	836.6163835	C48 H87 O8 N1 P1
PC(40:5e)+H	822.6371185	C48 H89 O7 N1 P1
PC(40:6)+H	834.6007335	C48 H85 O8 N1 P1
PC(40:6e)+H	820.6214685	C48 H87 O7 N1 P1
PC(40:7)+H	832.5850835	C48 H83 O8 N1 P1
PC(40:8)+H	830.5694335	C48 H81 O8 N1 P1
PC(41:2)+H	856.6789835	C49 H95 O8 N1 P1
PC(41:7)+H	846.6007335	C49 H85 O8 N1 P1
PC(42:1)+H	872.7102835	C50 H99 O8 N1 P1
PC(42:2)+H	870.6946335	C50 H97 O8 N1 P1
PC(42:2e)+H	856.7153685	C50 H99 O7 N1 P1
PC(42:3)+H	868.6789835	C50 H95 O8 N1 P1
PC(42:4)+H	866.6633335	C50 H93 O8 N1 P1
PC(42:4e)+H	852.6840685	C50 H95 O7 N1 P1
PC(42:5)+H	864.6476835	C50 H91 O8 N1 P1
PC(42:5e)+H	850.6684185	C50 H93 O7 N1 P1
PC(42:6)+H	862.6320335	C50 H89 O8 N1 P1
PC(42:6e)+H	848.6527685	C50 H91 O7 N1 P1
PC(42:7)+H	860.6163835	C50 H87 O8 N1 P1
PC(42:8)+H	858.6007335	C50 H85 O8 N1 P1
PC(42:9)+H	856.5850835	C50 H83 O8 N1 P1
PC(43:2)+H	884.7102835	C51 H99 O8 N1 P1
PC(44:1)+H	900.7415835	C52 H103 O8 N1 P1
PC(44:10)+H	882.6007335	C52 H85 O8 N1 P1
PC(44:11)+H	880.5850835	C52 H83 O8 N1 P1
PC(44:2)+H	898.7259335	C52 H101 O8 N1 P1
PC(44:3)+H	896.7102835	C52 H99 O8 N1 P1
PC(44:4)+H	894.6946335	C52 H97 O8 N1 P1
PC(44:5e)+H	878.6997185	C52 H97 O7 N1 P1
PC(44:6)+H	890.6633335	C52 H93 O8 N1 P1
PC(44:6e)+H	876.6840685	C52 H95 O7 N1 P1
PC(44:7)+H	888.6476835	C52 H91 O8 N1 P1
PC(44:8)+H	886.6320335	C52 H89 O8 N1 P1
PC(44:9)+H	884.6163835	C52 H87 O8 N1 P1
PE(16:0e)+H	454.2928185	C21 H45 O7 N1 P1
PE(18:0e)+H	482.3241185	C23 H49 O7 N1 P1
PE(18:1e)+H	480.3084685	C23 H47 O7 N1 P1
PE(20:3e)+Na	526.2904135	C25 H46 O7 N1 P1 Na1
PE(20:4e)+H	502.2928185	C25 H45 O7 N1 P1
PE(22:5e)+H	528.3084685	C27 H47 O7 N1 P1
PE(31:2e)+Li	666.5044435	C36 H70 O7 N1 P1 Li1
PE(31:3e)+Li	664.4887935	C36 H68 O7 N1 P1 Li1
PE(16:0p_16:0)+H	676.5275685	C37 H75 O7 N1 P1
PE(32:1e)+H	676.5275685	C37 H75 O7 N1 P1
PE(32:2e)+H	674.5119185	C37 H73 O7 N1 P1
PE(33:2e)+H	688.5275685	C38 H75 O7 N1 P1
PE(16:0_18:1)+H	718.5381335	C39 H77 O8 N1 P1
PE(16:0p_18:1)+H	702.5432185	C39 H77 O7 N1 P1
PE(16:1_18:1)+H	716.5224835	C39 H75 O8 N1 P1
PE(16:0p_18:2)+H	700.5275685	C39 H75 O7 N1 P1
PE(34:3e)+H	700.5275685	C39 H75 O7 N1 P1
PE(35:4e)+Li	718.5357435	C40 H74 O7 N1 P1 Li1
PE(18:0_18:1)+H	746.5694335	C41 H81 O8 N1 P1
PE(18:0p_18:1)+H	730.5745185	C41 H81 O7 N1 P1
PE(18:1_18:1)+H	744.5537835	C41 H79 O8 N1 P1
PE(18:1_18:1)+Na	766.5357285	C41 H78 O8 N1 P1 Na1
PE(36:2e)+H	730.5745185	C41 H81 O7 N1 P1
PE(18:1p_18:1)+H	728.5588685	C41 H79 O7 N1 P1
PE(18:1_18:2)+H	742.5381335	C41 H77 O8 N1 P1
PE(18:1_18:2)+Na	764.5200785	C41 H76 O8 N1 P1 Na1
PE(16:0_20:4)+H	740.5224835	C41 H75 O8 N1 P1
PE(16:0p_20:4)+H	724.5275685	C41 H75 O7 N1 P1
PE(16:0_20:5)+H	738.5068335	C41 H73 O8 N1 P1
PE(16:0p_20:5)+H	722.5119185	C41 H73 O7 N1 P1
PE(36:6e)+H	722.5119185	C41 H73 O7 N1 P1
PE(37:4e)+Li	746.5670435	C42 H78 O7 N1 P1 Li1
PE(37:5e)+H	738.5432185	C42 H77 O7 N1 P1
PE(18:0_20:1)+Na	796.5826785	C43 H84 O8 N1 P1 Na1
PE(38:3)+Na	792.5513785	C43 H80 O8 N1 P1 Na1
PE(18:0_20:4)+H	768.5537835	C43 H79 O8 N1 P1
PE(16:0p_22:4)+H	752.5588685	C43 H79 O7 N1 P1
PE(18:1_20:4)+H	766.5381335	C43 H77 O8 N1 P1
PE(16:0p_22:5)+H	750.5432185	C43 H77 O7 N1 P1
PE(16:0_22:6)+H	764.5224835	C43 H75 O8 N1 P1
PE(16:0p_22:6)+H	748.5275685	C43 H75 O7 N1 P1
PE(18:0_22:4)+H	796.5850835	C45 H83 O8 N1 P1
PE(18:0p_22:4)+H	780.5901685	C45 H83 O7 N1 P1
PE(18:0_22:5)+H	794.5694335	C45 H81 O8 N1 P1
PE(18:0p_22:5)+H	778.5745185	C45 H81 O7 N1 P1
PE(18:0_22:6)+H	792.5537835	C45 H79 O8 N1 P1
PE(40:6e)+H	778.5745185	C45 H81 O7 N1 P1
PE(18:1p_22:5)+H	776.5588685	C45 H79 O7 N1 P1
PE(18:1p_22:6)+H	774.5432185	C45 H77 O7 N1 P1
PE(42:1)+H	830.6633335	C47 H93 O8 N1 P1
PE(20:0p_22:5)+H	806.6058185	C47 H85 O7 N1 P1
PE(42:6e)+H	806.6058185	C47 H85 O7 N1 P1
PE(42:7e)+H	804.5901685	C47 H83 O7 N1 P1
PE(43:5e)+Li	828.6452935	C48 H88 O7 N1 P1 Li1
PE(44:0)+Li	866.7184585	C49 H98 O8 N1 P1 Li1
PE(45:7)+Na	882.5983285	C50 H86 O8 N1 P1 Na1
PE(46:0)+Li	894.7497585	C51 H102 O8 N1 P1 Li1
PE(46:1)+Li	892.7341085	C51 H100 O8 N1 P1 Li1
PE(47:0)+Li	908.7654085	C52 H104 O8 N1 P1 Li1
PE(47:1)+Li	906.7497585	C52 H102 O8 N1 P1 Li1
PE(48:0)+Li	922.7810585	C53 H106 O8 N1 P1 Li1
PE(48:1)+Li	920.7654085	C53 H104 O8 N1 P1 Li1
PE(48:2)+Li	918.7497585	C53 H102 O8 N1 P1 Li1
PE(49:1)+Li	934.7810585	C54 H106 O8 N1 P1 Li1
PE(49:2)+Li	932.7654085	C54 H104 O8 N1 P1 Li1
PE(50:1)+Li	948.7967085	C55 H108 O8 N1 P1 Li1
PE(50:2)+Li	946.7810585	C55 H106 O8 N1 P1 Li1
PE(50:3)+Li	944.7654085	C55 H104 O8 N1 P1 Li1
PE(51:4)+Li	956.7654085	C56 H104 O8 N1 P1 Li1
PE(52:0)+Li	978.8436585	C57 H114 O8 N1 P1 Li1
PE(52:2)+Li	974.8123585	C57 H110 O8 N1 P1 Li1
PE(52:3)+Li	972.7967085	C57 H108 O8 N1 P1 Li1
PE(52:4)+Li	970.7810585	C57 H106 O8 N1 P1 Li1
PE(52:5)+Li	968.7654085	C57 H104 O8 N1 P1 Li1
PE(54:1)+Li	1004.859308	C59 H116 O8 N1 P1 Li1
PE(54:4)+Li	998.8123585	C59 H110 O8 N1 P1 Li1
PE(54:5)+Li	996.7967085	C59 H108 O8 N1 P1 Li1
PE(54:6)+Li	994.7810585	C59 H106 O8 N1 P1 Li1
PG(32:1)+NH4	738.5279635	C38 H77 O10 N1 P1
PG(16:0_18:1)+NH4	766.5592635	C40 H81 O10 N1 P1
PG(16:0_18:1)+H	749.5327145	C40 H78 O10 N0 P1
PG(34:2)+NH4	764.5436135	C40 H79 O10 N1 P1
PG(18:1_18:1)+NH4	792.5749135	C42 H83 O10 N1 P1
PG(18:1_22:6)+NH4	838.5592635	C46 H81 O10 N1 P1
PG(22:6_22:6)+NH4	884.5436135	C50 H79 O10 N1 P1
PI(34:1)+NH4	854.5753085	C43 H85 O13 N1 P1
PI(24:1_10:1)+NH4	852.5596585	C43 H83 O13 N1 P1
PI(18:0_18:1)+Na	887.5620045	C45 H85 O13 N0 P1 Na1
PI(18:0_18:1)+NH4	882.6066085	C45 H89 O13 N1 P1
PI(18:1_18:1)+H	863.5644095	C45 H84 O13 N0 P1
PI(18:1_18:1)+NH4	880.5909585	C45 H87 O13 N1 P1
PI(18:1_18:1)+Na	885.5463545	C45 H83 O13 N0 P1 Na1
PI(36:3)+H	861.5487595	C45 H82 O13 N0 P1
PI(16:0_20:4)+NH4	876.5596585	C45 H83 O13 N1 P1
PI(16:0_20:4)+H	859.5331095	C45 H80 O13 N0 P1
PI(17:0_20:4)+NH4	890.5753085	C46 H85 O13 N1 P1
PI(37:4e)+Li	865.5776695	C46 H83 O12 N0 P1 Li1
PI(37:5e)+Li	863.5620195	C46 H81 O12 N0 P1 Li1
PI(38:2)+NH4	908.6222585	C47 H91 O13 N1 P1
PI(18:0_20:4)+NH4	904.5909585	C47 H87 O13 N1 P1
PI(18:0_20:4)+H	887.5644095	C47 H84 O13 N0 P1
PI(18:1_20:4)+NH4	902.5753085	C47 H85 O13 N1 P1
PI(40:4)+NH4	932.6222585	C49 H91 O13 N1 P1
PI(18:0_22:5)+NH4	930.6066085	C49 H89 O13 N1 P1
PI(18:0_22:6)+NH4	928.5909585	C49 H87 O13 N1 P1
PS(16:0_16:1)+H	734.4966635	C38 H73 O10 N1 P1
PS(33:3e)+Li	736.5099235	C39 H72 O9 N1 P1 Li1
PS(33:4e)+Li	734.4942735	C39 H70 O9 N1 P1 Li1
PS(34:0)+Na	786.5255585	C40 H78 O10 N1 P1 Na1
PS(16:0_18:1)+H	762.5279635	C40 H77 O10 N1 P1
PS(16:1_18:1)+H	760.5123135	C40 H75 O10 N1 P1
PS(34:4e)+Li	748.5099235	C40 H72 O9 N1 P1 Li1
PS(35:4e)+Li	762.5255735	C41 H74 O9 N1 P1 Li1
PS(18:0_18:0)+Na	814.5568585	C42 H82 O10 N1 P1 Na1
PS(18:0_18:1)+H	790.5592635	C42 H81 O10 N1 P1
PS(18:0_18:1)+Na	812.5412085	C42 H80 O10 N1 P1 Na1
PS(18:1_18:1)+Na	810.5255585	C42 H78 O10 N1 P1 Na1
PS(18:1_18:1)+H	788.5436135	C42 H79 O10 N1 P1
PS(18:1_18:2)+H	786.5279635	C42 H77 O10 N1 P1
PS(18:3e_18:1)+Li	776.5412235	C42 H76 O9 N1 P1 Li1
PS(36:5e)+Li	774.5255735	C42 H74 O9 N1 P1 Li1
PS(37:5e)+Li	788.5412235	C43 H76 O9 N1 P1 Li1
PS(18:0_20:2)+Na	838.5568585	C44 H82 O10 N1 P1 Na1
PS(18:0_20:3)+H	814.5592635	C44 H81 O10 N1 P1
PS(18:0_20:4)+H	812.5436135	C44 H79 O10 N1 P1
PS(18:0_22:5)+H	838.5592635	C46 H81 O10 N1 P1
PS(18:0_22:6)+H	836.5436135	C46 H79 O10 N1 P1
PS(40:7)+H	834.5279635	C46 H77 O10 N1 P1
PS(43:4e)+Li	874.6507735	C49 H90 O9 N1 P1 Li1
PS(43:5e)+Li	872.6351235	C49 H88 O9 N1 P1 Li1
SM(d31:1)+H	661.5279025	C36 H74 O6 N2 P1
SM(d32:1)+H	675.5435525	C37 H76 O6 N2 P1
SM(d32:2)+H	673.5279025	C37 H74 O6 N2 P1
SM(d33:1)+H	689.5592025	C38 H78 O6 N2 P1
SM(d18:0_16:1)+H	703.5748525	C39 H80 O6 N2 P1
SM(d34:2)+H	701.5592025	C39 H78 O6 N2 P1
SM(d35:1)+H	717.5905025	C40 H82 O6 N2 P1
SM(d35:2)+H	715.5748525	C40 H80 O6 N2 P1
SM(d36:1)+H	731.6061525	C41 H84 O6 N2 P1
SM(d36:4)+H	725.5592025	C41 H78 O6 N2 P1
SM(d41:1)+H	801.6844025	C46 H94 O6 N2 P1
SM(d41:2)+H	799.6687525	C46 H92 O6 N2 P1
SM(d41:6)+H	791.6061525	C46 H84 O6 N2 P1
SM(d18:1_24:0)+H	815.7000525	C47 H96 O6 N2 P1
SM(d42:2)+H	813.6844025	C47 H94 O6 N2 P1
SM(d42:3)+H	811.6687525	C47 H92 O6 N2 P1
SM(d19:1_24:1)+H	827.7000525	C48 H96 O6 N2 P1
SM(d43:5)+H	821.6531025	C48 H90 O6 N2 P1
SM(d44:2)+H	841.7157025	C49 H98 O6 N2 P1
SM(d44:4)+H	837.6844025	C49 H94 O6 N2 P1
SM(t34:1)+H	719.5697675	C39 H80 O7 N2 P1
SM(t34:2)+H	717.5541175	C39 H78 O7 N2 P1
SPH(d18:0)+H	302.3053555	C18 H40 O2 N1
SPH(d18:1)+H	300.2897055	C18 H38 O2 N1
SPH(t18:0)+H	318.3002705	C18 H40 O3 N1
ST(t38:4)+NH4	863.5661265	C44 H83 O12 N2 S1
TG(12:0_12:0_12:0)+NH4	656.5823655	C39 H78 O6 N1
TG(12:0e_6:0_18:0)+H	625.5765515	C39 H77 O5
TG(37:0)+H	653.5714665	C40 H77 O6
TG(12:0e_6:0_20:4)+H	645.5452515	C41 H73 O5
TG(40:2)+Li	697.5952915	C43 H78 O6 Li1
TG(14:0_14:0_14:0)+NH4	740.6762655	C45 H90 O6 N1
TG(16:0_14:0_14:0)+NH4	768.7075655	C47 H94 O6 N1
TG(18:1_12:0_14:0)+NH4	766.6919155	C47 H92 O6 N1
TG(44:6e)+NH4	742.6344005	C47 H84 O5 N1
TG(15:0_14:0_16:0)+NH4	782.7232155	C48 H96 O6 N1
TG(16:0_14:0_16:0)+NH4	796.7388655	C49 H98 O6 N1
TG(16:0_14:0_16:1)+NH4	794.7232155	C49 H96 O6 N1
TG(16:1_14:0_16:1)+NH4	792.7075655	C49 H94 O6 N1
TG(46:8)+H	763.5871165	C49 H79 O6
TG(15:0_16:0_16:0)+NH4	810.7545155	C50 H100 O6 N1
TG(16:0_14:0_17:1)+NH4	808.7388655	C50 H98 O6 N1
TG(16:1_14:0_17:1)+NH4	806.7232155	C50 H96 O6 N1
TG(16:0_16:0_16:0)+NH4	824.7701655	C51 H102 O6 N1
TG(16:0_14:0_18:1)+NH4	822.7545155	C51 H100 O6 N1
TG(16:1_14:0_18:1)+NH4	820.7388655	C51 H98 O6 N1
TG(16:1_16:1_16:1)+NH4	818.7232155	C51 H96 O6 N1
TG(16:0_16:0_17:0)+NH4	838.7858155	C52 H104 O6 N1
TG(16:0_16:0_17:1)+NH4	836.7701655	C52 H102 O6 N1
TG(18:1_14:0_17:1)+NH4	834.7545155	C52 H100 O6 N1
TG(16:1_16:1_17:1)+NH4	832.7388655	C52 H98 O6 N1
TG(16:0_16:0_18:1)+NH4	850.7858155	C53 H104 O6 N1
TG(16:0e_16:0_18:1)+NH4	836.8065505	C53 H106 O5 N1
TG(16:0_16:1_18:1)+NH4	848.7701655	C53 H102 O6 N1
TG(16:0_16:1_18:2)+NH4	846.7545155	C53 H100 O6 N1
TG(14:0_14:0_22:4)+NH4	844.7388655	C53 H98 O6 N1
TG(16:1_14:0_20:4)+NH4	842.7232155	C53 H96 O6 N1
TG(19:1_16:0_16:0)+NH4	864.8014655	C54 H106 O6 N1
TG(16:0_17:1_18:1)+NH4	862.7858155	C54 H104 O6 N1
TG(17:1_17:1_17:1)+NH4	860.7701655	C54 H102 O6 N1
TG(15:0_18:2_18:2)+NH4	858.7545155	C54 H100 O6 N1
TG(51:5)+NH4	856.7388655	C54 H98 O6 N1
TG(18:0_16:0_18:1)+NH4	878.8171155	C55 H108 O6 N1
TG(16:0_18:1_18:1)+NH4	876.8014655	C55 H106 O6 N1
TG(16:1_18:1_18:1)+NH4	874.7858155	C55 H104 O6 N1
TG(16:1_18:1_18:2)+NH4	872.7701655	C55 H102 O6 N1
TG(16:0_16:1_20:4)+NH4	870.7545155	C55 H100 O6 N1
TG(14:0_18:2_20:4)+NH4	868.7388655	C55 H98 O6 N1
TG(19:1_16:0_18:1)+NH4	890.8171155	C56 H108 O6 N1
TG(18:1_17:1_18:1)+NH4	888.8014655	C56 H106 O6 N1
TG(18:1_17:1_18:2)+NH4	886.7858155	C56 H104 O6 N1
TG(15:0_16:0_22:5)+NH4	884.7701655	C56 H102 O6 N1
TG(16:1_17:1_20:4)+NH4	882.7545155	C56 H100 O6 N1
TG(18:0_18:1_18:1)+NH4	904.8327655	C57 H110 O6 N1
TG(18:1_18:1_18:1)+NH4	902.8171155	C57 H108 O6 N1
TG(18:1_18:1_18:2)+NH4	900.8014655	C57 H106 O6 N1
TG(16:0_18:1_20:4)+NH4	898.7858155	C57 H104 O6 N1
TG(16:1_18:1_20:4)+NH4	896.7701655	C57 H102 O6 N1
TG(16:0_16:1_22:6)+NH4	894.7545155	C57 H100 O6 N1
TG(16:1_16:1_22:6)+NH4	892.7388655	C57 H98 O6 N1
TG(19:1_18:0_18:1)+NH4	918.8484155	C58 H112 O6 N1
TG(19:1_18:1_18:1)+NH4	916.8327655	C58 H110 O6 N1
TG(19:1_18:1_18:2)+NH4	914.8171155	C58 H108 O6 N1
TG(16:0_17:1_22:4)+NH4	912.8014655	C58 H106 O6 N1
TG(18:0_18:1_20:0)+NH4	934.8797155	C59 H116 O6 N1
TG(20:1_18:1_18:1)+NH4	930.8484155	C59 H112 O6 N1
TG(18:1_18:1_20:2)+NH4	928.8327655	C59 H110 O6 N1
TG(16:0_18:1_22:4)+NH4	926.8171155	C59 H108 O6 N1
TG(16:0_18:1_22:5)+NH4	924.8014655	C59 H106 O6 N1
TG(16:1_18:1_22:5)+NH4	922.7858155	C59 H104 O6 N1
TG(16:1_18:1_22:6)+NH4	920.7701655	C59 H102 O6 N1
TG(18:1_18:1_21:1)+NH4	944.8640655	C60 H114 O6 N1
TG(57:4)+NH4	942.8484155	C60 H112 O6 N1
TG(17:0_18:1_22:4)+NH4	940.8327655	C60 H110 O6 N1
TG(18:1_17:1_22:4)+NH4	938.8171155	C60 H108 O6 N1
TG(18:2_20:4_20:4)+NH4	944.7701655	C61 H102 O6 N1
TG(16:0_18:1_24:1)+NH4	960.8953655	C61 H118 O6 N1
TG(18:1_18:1_22:1)+NH4	958.8797155	C61 H116 O6 N1
TG(18:0_18:1_22:3)+NH4	956.8640655	C61 H114 O6 N1
TG(18:0_18:1_22:4)+NH4	954.8484155	C61 H112 O6 N1
TG(18:1_18:1_22:4)+NH4	952.8327655	C61 H110 O6 N1
TG(18:1_18:1_22:5)+NH4	950.8171155	C61 H108 O6 N1
TG(18:1_18:1_22:6)+NH4	948.8014655	C61 H106 O6 N1
TG(18:1_18:2_22:6)+NH4	946.7858155	C61 H104 O6 N1
TG(19:1_18:1_22:4)+NH4	966.8484155	C62 H112 O6 N1
TG(19:1_18:1_22:5)+NH4	964.8327655	C62 H110 O6 N1
TG(16:0_22:5_22:5)+NH4	972.8014655	C63 H106 O6 N1
TG(16:0_22:6_22:6)+NH4	968.7701655	C63 H102 O6 N1
TG(18:1_18:1_24:0)+NH4	988.9266655	C63 H122 O6 N1
TG(18:1_18:1_24:1)+NH4	986.9110155	C63 H120 O6 N1
TG(18:1_18:1_24:2)+NH4	984.8953655	C63 H118 O6 N1
TG(18:1_20:4_22:0)+NH4	982.8797155	C63 H116 O6 N1
TG(20:1_18:1_22:4)+NH4	980.8640655	C63 H114 O6 N1
TG(20:1_18:1_22:5)+NH4	978.8484155	C63 H112 O6 N1
TG(18:1_20:3_22:4)+NH4	976.8327655	C63 H110 O6 N1
TG(61:6e)+K	1001.829784	C64 H114 O5 K1
TG(61:7e)+K	999.8141345	C64 H112 O5 K1
TG(18:1_22:5_22:5)+NH4	998.8171155	C65 H108 O6 N1
TG(18:1_22:5_22:6)+NH4	996.8014655	C65 H106 O6 N1
TG(18:1_22:6_22:6)+NH4	994.7858155	C65 H104 O6 N1
TG(26:1_18:1_18:1)+NH4	1014.942315	C65 H124 O6 N1
ZyE()+H-H2O	367.3359265	C27 H43 O0
ZyE(13:0)+H	581.5292065	C40 H69 O2
ZyE(20:4)+NH4	688.6027055	C47 H78 O2 N1
ZyE(22:5)+H	697.5918065	C49 H77 O2
METABOLITES_END
#END