#METABOLOMICS WORKBENCH Arun_Sreekumar_20211023_094131 DATATRACK_ID:2901 STUDY_ID:ST001971 ANALYSIS_ID:AN003215 PROJECT_ID:PR001254
VERSION             	1
CREATED_ON             	November 8, 2021, 9:38 am
#PROJECT
PR:PROJECT_TITLE                 	Lipid Profiling in African-American Men with Prostate Cancer
PR:PROJECT_SUMMARY               	We examined the lipidomes from cancer-benign matched prostate tissues in
PR:PROJECT_SUMMARY               	prostate cancer patients of African-American and European-American men to
PR:PROJECT_SUMMARY               	determine potential alterations in lipid metabolism which might explain the
PR:PROJECT_SUMMARY               	observed disparity in tumor progression.
PR:INSTITUTE                     	Baylor College of Medicine
PR:LAST_NAME                     	Sreekumar
PR:FIRST_NAME                    	Arun
PR:ADDRESS                       	one baylor Plaza
PR:EMAIL                         	Arun.Sreekumar@bcm.edu
PR:PHONE                         	713-798-3144
#STUDY
ST:STUDY_TITLE                   	Lipid Profiling in African-American Men with Prostate Cancer
ST:STUDY_SUMMARY                 	we examined the lipidomes from cancer-benign matched prostate tissues in PCa
ST:STUDY_SUMMARY                 	patients of AA and EA men to determine potential alterations in lipid metabolism
ST:STUDY_SUMMARY                 	which might explain the observed disparity in tumor progression.
ST:INSTITUTE                     	Baylor College of Medicine
ST:LAST_NAME                     	Sreekumar
ST:FIRST_NAME                    	Arun
ST:ADDRESS                       	One Baylor Plaza
ST:EMAIL                         	Arun.Sreekumar@bcm.edu
ST:PHONE                         	7137983144
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#FACTORS
#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           	1	3609	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	2	5050	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	4	8678	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	5	9657	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	7	10188	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	8	10222	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	9	10506	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	10	10524	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	14	18476	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	15	19051	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	16	19205	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	17	19338	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	18	21274	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	19	22346	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	21	23979	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	25	32567	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	26	32595	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	29	32871	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	30	36673	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	33	36916	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	34	37654	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	35	37687	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	41	42792	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	42	42957	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	44	46698	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	46	47605	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	55	53983	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	56	54182	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	59	56765	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	69	59701	Race:AA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	85	14908	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	86	15780	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	89	17637	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	91	18345	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	94	19567	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	97	20480	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	103	23868	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	106	39907	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	108	25923	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	109	25944	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	113	31630	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	114	39117	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	115	36361	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	4858	24783	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	4859	24775	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	4904	25055	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	4927	25248	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	4929	25271	Race:EA | Diagnosis:Benign	
SUBJECT_SAMPLE_FACTORS           	1	3608	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	2	5057	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	4	8680	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	5	9660	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	7	10184	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	8	10227	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	9	10512	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	10	10526	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	14	18473	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	15	19053	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	16	19204	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	17	19337	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	18	21275	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	19	22343	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	21	23977	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	25	32564	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	26	32594	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	29	32870	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	30	36668	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	33	36914	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	34	37653	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	35	37689	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	41	42793	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	42	42955	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	44	46702	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	46	47603	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	55	53984	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	56	54184	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	59	56767	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	69	59703	Race:AA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	85	14904	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	86	15781	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	89	17643	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	91	18353	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	94	19564	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	97	20482	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	103	23870	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	106	25794	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	108	25945	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	109	26084	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	113	36357	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	114	39116	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	115	39910	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	4858	24786	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	4859	24777	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	4904	25054	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	4927	25255	Race:EA | Diagnosis:Cancer	
SUBJECT_SAMPLE_FACTORS           	4929	25273	Race:EA | Diagnosis:Cancer	
#COLLECTION
CO:COLLECTION_SUMMARY            	Frozen pathologically-verified prostate tissues (PCa and adjacent benign) for
CO:COLLECTION_SUMMARY            	metabolite were obtained from the Baylor College of Medicine Human Tissue
CO:COLLECTION_SUMMARY            	Acquisition and Pathology Core of the Dan L. Duncan Cancer Center. All samples
CO:COLLECTION_SUMMARY            	were collected during radical prostatectomy with informed consent and
CO:COLLECTION_SUMMARY            	Institutional Review Board approval and stored retrospectively in a
CO:COLLECTION_SUMMARY            	de-identified manner in the tumor bank. All tissue samples were reviewed for
CO:COLLECTION_SUMMARY            	their tumor content by a GU pathologist prior to the metabolomics. Tissue
CO:COLLECTION_SUMMARY            	obtained from the cancer samples contained at least 70% tumors, while benign
CO:COLLECTION_SUMMARY            	tissues were free of tumors upon pathological examination.
CO:SAMPLE_TYPE                   	Adipose tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	None
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	We used 50 mg of tissues for sample preparation. Lipids were extracted using a
SP:SAMPLEPREP_SUMMARY            	modified Bligh-Dyer method. The extraction was carried out using 2:2:2 volume
SP:SAMPLEPREP_SUMMARY            	ratio of water/methanol/dichloromethane at room temperature after spiking
SP:SAMPLEPREP_SUMMARY            	internal standards (17:0LPC, 17:0PC, 17:0PE, 17:0PG, 17:0 ceramide, 17:0SM,
SP:SAMPLEPREP_SUMMARY            	17:0PS, 17:0PA, 17:0TAG, 17:0MAG, DAG 16:0/18:1, CE 17:0, and 17.0-20.4 PI). The
SP:SAMPLEPREP_SUMMARY            	organic layer was collected and completely dried under nitrogen. Before MS
SP:SAMPLEPREP_SUMMARY            	analysis, the dried extract was resuspended in 100 μL of Buffer B (10:5:85
SP:SAMPLEPREP_SUMMARY            	Acetonitrile/water/Isopropyl alcohol) containing 10mM NH4OAc and subjected to
SP:SAMPLEPREP_SUMMARY            	LC/MS. The lipidome was separated using reverse-phase chromatography.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Waters Acquity BEH HSS T3 (100 x 2.1mm, 1.8um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5600+ TripleTOF
MS:INSTRUMENT_TYPE               	Triple TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	single intensity normalized by overall median
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	single intensity normalized
MS_METABOLITE_DATA_START
Samples	3609	5050	8678	9657	10188	10222	10506	10524	18476	19051	19205	19338	21274	22346	23979	32567	32595	32871	36673	36916	37654	37687	42792	42957	46698	47605	53983	54182	56765	59701	14908	15780	17637	18345	19567	20480	23868	39907	25923	25944	31630	39117	36361	24783	24775	25055	25248	25271	3608	5057	8680	9660	10184	10227	10512	10526	18473	19053	19204	19337	21275	22343	23977	32564	32594	32870	36668	36914	37653	37689	42793	42955	46702	47603	53984	54184	56767	59703	14904	15781	17643	18353	19564	20482	23870	25794	25945	26084	36357	39116	39910	24786	24777	25054	25255	25273
Factors	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:AA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:EA | Diagnosis:Benign	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:AA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer	Race:EA | Diagnosis:Cancer
CE 16:1; [M+NH4]+@10.16	-2.981288465	-0.149683767	-3.288135786	-3.080284039	-2.201019534	-3.965476336	-2.213626443	-4.876313512	-3.84729368	-5.130894093	-2.569952062	-1.703272923	-4.682676725	-3.311864989	-3.610665981	-3.836627929	-3.822452937	-2.872745437	-3.965692818	-1.417740285	-0.999102646	-2.659548402	-4.128128596	-4.024979206	-5.588229232	-2.412271998	-4.578273395	-1.458650142	-2.866826436	-4.124553587	-3.51465795	-5.540011005	-4.0994791	-2.047208502	-2.798726393	-2.524592473	-3.802178635	-2.847627918	-5.888073137	-4.984960441	-5.578133985	-3.118939177	-2.923022146	-2.270606662	-2.846491017	-4.263386103	-5.063649524	-3.946525675	-4.894182894	-1.577592331	-5.420397775	-2.994779936	-0.336341204	-1.500216773	-2.702966813	-1.453752657	-2.549181861	-0.089306601	-1.767508678	-2.095277207	-1.504566475	-2.3962148	-2.660502334	-1.020663043	-0.128281015	-4.426328239	-1.877106931	-3.381797132	-1.577696528	-1.535257601	-4.111821413	-5.594852372	-4.682400904	-3.45321469	-3.936411796	-1.74002871	-2.870380535	-1.501497099	-4.587460778	-3.805320966	-4.136931012	-2.494366304	-3.29506459	-0.125043112	-6.699630486	-3.608951703	-3.390285984	-2.794760649	-3.623783698	-3.82768953	-2.190789097	-1.938314329	-3.815884097	-4.800767758	-2.137180348	-1.801593403
CE 18:0; [M+NH4]+@10.84	-1.615013794	-0.800016241	-5.118056254	-4.524098641	-2.663245786	-4.779402139	-2.779395918	-5.404876437	-5.921405841	-5.607520452	-7.046306697	-1.382567422	-4.063122892	-3.26599992	-6.278755305	-6.752651392	-3.911477357	-5.020169374	-4.265659279	-1.465683245	-3.420074131	-3.875384093	-4.07672105	-7.139129391	-5.634490803	-4.628076687	-6.847180367	-1.511906629	-2.25264116	-4.496044457	-1.740622087	-7.910841491	-4.612503497	-1.099612223	-4.689168811	-3.280506971	-6.178071581	-5.922183775	-5.074846759	-5.295365893	-7.957366445	-7.855521807	-4.253432781	-3.176138374	-3.20768009	-4.62845595	-4.759688988	-2.901644932	-2.97888184	-1.2929927	-1.542432873	-2.916044558	-0.539287312	-2.523403596	-2.875656829	-0.932684932	-3.356974254	-0.691475457	-1.77547625	-1.734133981	-0.904899259	-2.243819485	-2.978932251	-1.541897786	0.905854029	-4.775929524	0.463107517	-4.056932727	-3.042343511	-0.451136725	-3.130581049	-3.754787371	-7.09697691	-2.042404208	-4.739815501	-2.304643792	-3.318439828	-8.683501749	-4.110267023	-3.801202318	-6.136976709	-2.185424275	-7.705819516	-0.885584629	-7.45340618	-5.914555597	-2.711967131	-1.626198238	-5.563409004	-1.58661351	-2.801740814	-2.429756588	-4.195910747	-4.940004594	-4.43499635	-2.437465993
CE 18:1; [M+NH4]+@10.51	0.862811568	2.513406162	-0.612978276	-0.734766703	0.522244918	-1.487583964	1.189618388	-0.731112993	-0.755666288	-1.471186425	-1.710679189	1.697410843	-0.767637281	0.340138827	-0.591180467	-2.445595582	0.170867492	-0.040975489	-0.653598565	1.155912794	0.807176083	0.02987419	-0.214316018	-2.315973693	-2.00880431	0.320447063	-1.165498437	2.317508032	0.520271837	-0.476928299	0.240142716	-3.129236081	-1.379185587	1.767700672	0.337885533	1.007804988	-1.052434213	-0.420318925	-1.80084339	-1.583053674	-2.504305442	-1.741078324	-0.494633866	0.112047562	0.51936186	-0.289622823	-0.551330853	0.445976022	-0.909501765	2.04465006	-0.244863918	0.583553948	3.580160247	1.631319842	0.83078607	2.453501031	0.988893741	3.435377147	1.521164641	1.714009667	2.344895012	1.299169319	0.326791467	1.31110079	4.138467913	-0.914369019	2.184528646	-0.265587273	0.837206736	2.407633446	0.226804609	-1.003836934	-1.327892054	0.155300909	-0.438578249	1.934194352	-0.11240438	1.541382887	-0.580664358	-0.397958457	-1.017508785	1.323640534	0.105677687	-4.921307372	-2.177212506	-2.078150164	0.221797141	0.892673699	-0.552143584	0.176467036	0.943392291	1.030333481	-0.414906916	-1.06340903	-6.004734374	-5.88078176
CE 18:2; [M+NH4]+@10.26	2.120687672	2.180291543	1.716089505	1.342423911	1.828965698	1.04115658	2.503129316	1.667507458	0.615011666	0.425600263	1.127953317	0.979182708	1.255020824	2.401312977	0.363824166	-0.83365642	1.307559283	0.409164072	1.37747044	2.321618897	2.133395194	0.981107855	1.714835158	0.62187157	0.7866567	0.988914961	1.670890946	1.573447825	1.241661876	1.928063852	0.028386369	-0.611787851	0.587991209	3.223968519	0.920903026	2.469294331	1.677495944	1.093517867	0.664520359	0.509903452	-0.895327701	-0.981881155	0.930031744	1.726014015	1.75901199	1.292954874	1.064297306	2.057965476	-0.001637216	2.750288399	0.557628258	0.808413612	3.429258512	1.002624641	1.084683741	1.826866844	1.856845406	1.781616698	1.233429763	1.47613472	2.019170195	1.697218151	1.801102312	2.17574553	2.700072015	-0.796539271	2.996241337	1.337805689	2.000397074	1.291599642	0.634105441	-0.372123309	-1.023504642	0.944756135	-0.02421602	1.396438236	0.666309945	1.853797057	1.960966606	0.57818468	1.136030232	1.380569405	-0.007103026	2.961953846	-0.647036769	0.78854744	0.63221437	1.114738485	-1.018250843	0.08449582	1.319526561	2.4925292	1.340629836	0.796531072	2.924929593	1.728131256
CE 18:3; [M+NH4]+@10.03	-2.045189543	-1.518817348	-2.212977707	-2.739746956	-3.091608465	-3.011313461	-1.595371501	-2.669553106	-3.885729592	-3.344059875	-1.880385162	-2.365703784	-3.268858276	-2.191511376	-4.651147527	-4.212817485	-2.663504393	-3.997312338	-3.084279521	-0.665357288	-1.792229338	-4.601612406	-3.054242252	-3.81066692	-5.213544519	-2.695395491	-2.564971314	-1.459782072	-1.931648576	-3.200043741	-3.976788995	-5.832137105	-3.259291768	-0.924774494	-2.225539111	-1.329249216	-2.947921313	-3.835915858	-3.73141005	-4.280553276	-5.328815342	-5.006859072	-2.345564492	-1.738644576	-1.627426022	-2.419335833	-3.093995403	-2.021653915	-4.930513406	-0.162487688	-2.402432082	-2.934141135	0.524488291	-2.799691392	-2.9475246	-1.034450987	-1.396806814	-2.259093892	-1.698232934	-1.869217001	-1.15630292	-1.781715971	-2.274705439	-1.363022979	-0.295191374	-4.540588572	0.315175582	-3.199636434	-1.300291516	-3.096107895	-2.636181652	-3.373086997	-4.449853329	-2.602922645	-4.026332129	-1.673034192	-4.210290709	-2.202482375	-2.963286724	-4.101500439	-3.666539727	-1.309788483	-4.387505272	-0.221667513	-4.222455299	-3.493783185	-2.046913368	-2.238118529	-3.630147678	-2.770668878	-2.517355064	-1.042832702	-3.011921009	-3.074964874	0.065289479	-2.216327982
CE 19:0; [M+NH4]+@11.00	-5.765409746	-6.40564054	-7.75628277	-6.981290488	-6.704561021	-7.274080476	-7.832725972	-14.05856843	-7.609196695	-7.541289783	-6.501125214	-6.815127087	-8.692310128	-13.01575258	-5.724284806	-7.320536228	-6.408714331	-8.062623288	-5.136409672	-4.958532572	-5.665751883	-5.720099793	-6.842831288	-7.684155574	-6.889607601	-7.83518089	-7.751336065	-4.36692528	-6.137753234	-7.348022526	-4.720300384	-9.647522077	-6.455413711	-5.633968406	-8.344679092	-9.17201831	-7.365234874	-7.056928295	-7.802508502	-5.445863868	-7.205094717	-8.100345205	-7.413791228	-7.311718121	-7.551225601	-7.698302361	-7.006285666	-6.769716997	-7.039496417	-4.211214022	-4.649592902	-7.334156968	-4.110310376	-5.305031942	-6.754903711	-6.075538903	-7.592409363	-5.562059957	-6.613505384	-5.241464255	-5.067835352	-8.489333488	-5.737272734	-7.405741856	-2.856576039	-6.701605558	-4.660787505	-5.951522295	-6.767014315	-4.277069779	-6.467671383	-7.677946785	-6.244356938	-8.234767272	-8.775196234	-4.138842953	-7.306770413	-6.154634803	-9.346108555	-5.368072599	-8.83100716	-5.131815758	-7.421988583	-4.68094866	-7.035866776	-7.890270516	-6.37312285	-4.899657728	-6.742172848	-7.367606269	-7.365983177	-9.026040535	-7.744916961	-8.624519851	-4.188307189	-7.159846988
CE 20:0; [M+NH4]+@11.12	-3.658852321	-3.724366859	-5.381376406	-6.81862343	-4.120262717	-6.711607168	-6.282055657	-6.547469355	-5.286484691	-5.315944778	-7.186941712	-3.472694534	-5.966037566	-5.460456772	-6.763369098	-6.00073307	-5.284660545	-6.408523403	-4.570865979	-3.928770771	-4.566389557	-5.662946301	-7.274660981	-8.675516534	-5.371612225	-6.720781378	-7.837061012	-4.01063499	-3.355971943	-7.27688892	-3.900497273	-6.627753731	-6.414771035	-4.053303999	-6.64818315	-7.300728508	-6.641547047	-6.475336672	-7.236727891	-7.155907785	-8.584260499	-6.992495759	-7.034546631	-6.801236744	-5.39007324	-8.919963874	-8.704898589	-5.326565608	-4.921151145	-2.063611301	-2.93361662	-3.836863059	-1.982449978	-3.903076425	-3.596508706	-3.063935685	-5.278894948	-1.855258534	-2.964257372	-2.407609703	-1.716426166	-3.984088702	-5.92186493	-2.426584568	-0.904878808	-5.223904254	-3.847429415	-7.121936716	-5.174686768	-2.399181439	-4.089455801	-6.648267341	-7.718114917	-3.815118843	-7.802656204	-5.430001212	-5.868127272	-5.868189202	-8.3881766	-6.228954481	-6.769848976	-2.213485529	-6.199086139	-3.292735545	-5.554741886	-8.233775513	-5.041711321	-4.573669314	-6.897207497	-5.018279869	-4.961151499	-4.528469082	-6.861690313	-7.906730368	-1.55597901	-4.39437531
CE 20:1; [M+NH4]+@10.85	-1.038319567	-0.252766543	-2.74644304	-3.363738584	-1.302160573	-4.989154281	-3.321583786	-3.280062122	-4.947922145	-4.754353762	-4.65451366	-0.044019981	-5.173487642	-2.930688287	-4.328383283	-7.367584031	-2.535020755	-2.579133861	-4.378113536	0.28319842	-2.775716168	-2.11493403	-3.488618693	-6.956873895	-5.909229039	-4.254155382	-5.800133277	-0.972542582	-0.538023415	-4.297167087	-1.864630359	-6.801289481	-4.487592626	-2.666999871	-2.580903619	-2.787567652	-7.437599742	-4.787569513	-3.498355687	-3.771482043	-5.337310349	-5.914409432	-4.994838541	-2.999349108	-2.228715349	-3.811122188	-3.277382854	-2.133419852	-2.241896844	1.091694263	-0.040331634	-0.913493277	2.499668864	-0.708138583	-0.605277931	0.491948151	-1.103818626	1.279612342	-0.741567021	0.360305939	1.478569456	-0.918100206	-2.37446731	1.43954942	2.045470296	-3.423418272	0.227457136	-3.269423898	-3.003562762	1.240560607	-1.433644706	-2.816130016	-3.494465535	-3.919342931	-3.845570815	-1.89796065	-2.884266831	-1.311679549	-3.505256114	-2.800852488	-5.37022063	0.198179432	-1.837148662	-4.530290231	-8.94173361	-7.57740387	-1.617553969	0.328628122	-5.042717279	-0.928497668	-1.458933312	-2.18713678	-2.70860577	-3.98970102	2.033415418	-0.298213413
CE 20:3; [M+NH4]+@10.30	0.893557928	1.894510517	-0.867878588	-0.586268393	0.358031279	-1.792422134	0.501241713	-1.323363792	-0.571272111	-0.660697594	-1.765395766	0.729542338	-1.177592334	0.7011494	-1.110772229	-3.708972796	-0.336158088	-2.598964518	-1.313712782	1.131953512	-0.271066954	-0.676183001	0.191599869	-2.805642779	-1.718260731	-1.184771746	-0.692979233	2.479877137	0.49069184	-0.767074506	0.187768288	-3.762686515	-1.713652218	2.311773809	-0.035863593	1.974326381	-1.472675915	-0.722594412	-1.121899527	-1.246499864	-3.842694571	-1.8759987	-0.719497927	-0.280673449	0.638097995	-0.447808246	-1.303065489	0.504806957	-1.872224429	2.848397087	1.091505194	-0.213888548	3.067845089	0.814423965	0.719651693	1.187469224	1.494226162	1.887307319	0.990212513	1.290978827	2.423672357	1.007452153	0.539333298	1.568522242	4.740783702	-2.826245888	2.844383912	-0.824278041	0.045218112	0.622610334	0.386449749	-1.039301332	-1.715994133	-0.336258026	-0.880619768	2.026115102	-0.971824723	0.766731253	-0.770085544	-0.841200819	-2.292211129	1.984624445	-0.238777565	3.194851283	-2.998077432	-2.675752812	1.574283102	1.361584346	-0.577653436	0.127957291	0.816124269	0.551428339	0.164771614	-1.092936359	2.383606222	1.185452655
CE 20:4; [M+NH4]+@10.12	1.855741416	2.71473266	0.735941815	0.806902804	2.431623877	0.63336788	2.250889563	1.000850151	1.091991038	0.574074385	1.14151828	1.486837765	0.565345668	2.354241436	0.369930063	-0.538089234	0.976621647	-0.444244023	1.083157825	-0.007768042	2.184253693	1.033585114	1.588703897	-0.250099536	0.428665252	1.055685504	0.887602601	2.766438648	0.749486076	1.35299617	1.421100849	-1.887026209	-0.063784547	3.311112953	1.022332085	3.163518706	1.217039496	1.719033906	0.29720948	-0.120243969	-1.032910619	-0.082918978	-0.331460595	1.651204968	1.650321418	0.517574749	0.359850583	1.493228896	-0.791221883	1.933060112	0.127283084	0.520348856	1.982157842	1.912352724	0.869170946	0.555965607	2.027186097	1.89171963	1.229401859	1.917187909	2.837386888	1.337751569	2.103167025	1.785502592	3.629967696	-2.048294821	2.505298021	-0.186549358	2.055835491	1.381370423	-0.110630232	-0.043043071	-1.550485268	1.117218241	0.188055489	2.678646559	0.66004093	1.087538987	1.01973891	0.131095696	0.482867782	1.749906477	0.974580271	2.398082995	-1.059073525	-1.161373138	1.095883047	1.036943919	-0.522481389	-0.035573332	2.193927032	2.319223545	1.335740069	0.655610145	1.280316078	1.267878593
CE 20:5; [M+NH4]+@9.89	-1.785383651	-0.921838909	-1.945623512	-3.161566574	-1.445736113	-3.930020257	-1.332673396	-3.461768849	-2.629848966	-3.055691007	-2.222427301	-1.978700169	-2.894051903	-1.088952793	-3.430349603	-4.098235833	-3.155480346	0.791465431	-2.793146859	-2.914511337	-1.307038943	-2.863475379	-3.661539646	-3.884823108	-3.4241835	-2.876280049	-0.879214219	-1.311927602	-1.807973615	-3.576032641	-2.845142927	-4.356560639	-2.965832637	-0.664588525	-3.063080165	-0.085831982	-2.090763831	-2.509149674	-2.31445121	-4.546642307	-4.89329653	-4.616773812	-3.505377812	-0.988968371	-1.231744104	-2.624975603	-3.953736871	-5.399992185	-4.22091487	-1.295312536	-2.9797564	-3.753617677	0.470165744	-2.431281481	-2.784864044	-2.473537253	-1.683999998	-1.221455747	-1.974993156	-1.04867609	-0.486611409	-2.331499098	-1.482069042	-1.772969894	0.413022491	-0.749182031	-1.064993908	-3.432141957	-1.161651806	-2.10341114	-4.102833164	-4.778533134	-3.761086017	-2.194770126	-2.277937309	-0.927641043	-2.301011043	-2.243677135	-3.349299318	-4.110010446	-3.207721734	-1.728382835	-2.809043198	-1.326842564	-4.428857653	-2.968941096	-3.052609817	-3.631002389	-4.804258285	-3.878118206	-1.795591297	-0.349194601	-2.559408141	-2.409753886	-1.938355338	-2.208782909
CE 22:1; [M+NH4]+@11.23	-2.432391643	-1.757029874	-3.895138361	-5.364872271	-3.310614592	-5.237069245	-3.122128223	-5.480955256	-4.984524151	-5.036192802	-7.362071001	-1.526754454	-7.03913229	-5.184210715	-5.998014322	-6.810939287	-4.98504762	-3.198049917	-4.851629516	-1.859948712	-4.177344315	-3.527411942	-4.348462316	-8.673802228	-8.051502907	-6.914557057	-6.529661335	-1.579642365	-2.18465025	-5.687508728	-2.305655473	-8.129897894	-7.013490288	-2.702213676	-3.700913881	-4.956563982	-9.69458408	-5.926603902	-5.754591365	-5.348089379	-8.563340315	-6.885625372	-6.662191506	-4.33251347	-2.855474784	-6.986846661	-6.071758005	-2.765002273	-2.976361122	-0.171397962	-1.368640429	-2.742745846	1.570074364	-2.406478174	-2.90041634	-0.45823278	-2.349629772	-0.22120318	-1.750633857	-0.830326141	0.621544464	-2.158695975	-3.316312625	-0.288353724	1.38524716	-4.235537168	-0.872996756	-5.009071584	-4.405363604	0.26973301	-1.840997972	-4.454448719	-3.92976295	-4.73498369	-5.61468454	-2.788050177	-4.129491755	-2.909708603	-6.361305123	-5.493804563	-7.77935974	-0.925064475	-3.737526997	-2.133780562	-8.325705512	-7.882484434	-2.182044992	-1.464673706	-6.919817742	-2.849811976	-2.767538703	-3.368262889	-4.470032866	-5.367913053	-0.161255106	-2.684862174
CE 22:2; [M+NH4]+@10.87	-1.607267434	-1.277206652	-3.87173042	-4.310341114	-2.948208241	-4.092788905	-3.656857046	-4.911457215	-4.189561888	-5.928027336	-6.867145897	-2.291557327	-5.982494806	-4.356866272	-3.697585515	-6.971268476	-4.643105527	-5.201266388	-4.052625457	-0.841818313	-3.816383407	-4.150917541	-3.795745931	-7.913224433	-6.904676708	-5.581682744	-7.086448015	-0.618831127	-1.641375645	-5.76984179	-4.19455281	-7.019902989	-5.409533283	-1.483691482	-3.924562111	-2.448779215	-6.043869	-5.0557101	-5.006505728	-3.913150952	-7.840244507	-6.312175059	-6.000304254	-4.183162911	-2.839091821	-4.393187975	-6.034075672	-2.409732172	-4.518354445	0.670214199	-0.015602191	-2.700990224	1.345834014	-2.538282396	-1.721310765	-0.253082431	-1.778172475	-0.758350624	-1.528744039	-1.087381507	0.790612846	-2.405693928	-2.837669591	0.346022308	1.810147343	-5.300820721	1.062488585	-4.650957845	-3.303948397	-0.856106805	-0.999174969	-3.423819243	-5.055723121	-5.28972809	-5.403069099	-1.810811669	-4.862878208	-1.864459754	-6.054687826	-3.624159059	-4.692686138	-0.554579656	-3.848205151	0.785298177	-5.991475836	-7.696892901	-2.637056209	-1.470088624	-7.504343986	-2.563626026	-4.647826573	-3.620572705	-3.801663718	-5.508064575	1.27127304	-2.133716707
CE 22:4; [M+NH4]+@10.40	1.320535723	2.27925486	-1.615392396	-1.820368332	1.096903417	-1.969159392	0.914338623	-1.402511218	-0.425252395	-1.067742404	-2.184432627	0.617130808	-1.522209316	-0.117957017	-2.300209916	-4.653679197	-1.515428866	-1.573786575	-1.147077789	-0.821429589	1.412229123	0.350409333	0.256891574	-3.34339358	-2.488515286	-0.296215195	-1.710049964	2.578462476	0.092755553	-1.586694238	0.921314214	-5.296885278	-1.517324193	2.706329628	-0.386713497	1.88051303	-2.822952075	0.259461227	-1.720897321	-2.240249164	-3.801983694	-2.496655304	-0.571898878	0.182710688	1.466026233	-0.378535407	-1.119734114	1.123230834	-1.65736091	1.589117482	1.866248024	-1.323615039	2.403438468	1.639282335	0.415936064	1.592045045	0.953528019	1.548483605	0.503585132	1.002571241	3.093340562	0.715347954	1.269600176	2.41084212	3.943751835	-2.465316897	2.853280698	-2.071072071	1.242202606	1.859243338	-0.107240315	-1.339188545	-1.964236187	0.140993272	-1.438867046	2.430497909	-0.67283997	1.283713844	-1.547422003	-0.83342084	-1.800310364	2.663232439	0.487799838	3.363960079	-2.437181703	-4.949421393	0.913500788	1.697289426	-1.15740797	0.417298043	1.750072325	0.866435838	0.665073648	-1.056136077	1.25990493	0.705092745
CE 22:5; [M+NH4]+@10.22	0.872918962	2.360802876	-0.722716922	-1.398111709	0.930454966	-1.925878586	0.572133097	-0.770113552	-0.441542756	-1.758511869	-2.464774455	0.804639126	-1.853546331	0.113632215	-1.283198272	-5.714378784	-0.157198729	0.305469697	-0.777628957	-0.165324643	0.927843215	-0.258461848	-0.12069846	-7.842460383	-2.222373699	-0.861249828	-13.79929489	2.751945157	-0.245547344	-2.050119457	0.327054366	-6.444221351	-1.366078175	2.441304854	-0.295594644	-5.858040007	-3.554042013	-0.396701668	-0.728912425	-1.327690727	-6.727300794	-1.48128047	-0.704117994	0.01884408	1.367272014	-6.718405239	-1.183190048	-2.37541555	-2.026199936	1.946044151	1.406732757	-1.208669375	2.650329355	1.214825617	0.378268452	1.431080311	1.47234132	1.552942666	1.060598205	1.419911081	3.023839917	0.549772728	1.510796369	2.112216586	4.880345204	-0.869477702	2.442197195	-1.450219971	0.318935476	1.293235957	-1.181254941	-1.1114713	-1.397578677	0.002788869	-6.847531692	-6.489862341	0.841962976	-5.704902507	-1.811694114	-0.762220013	-2.06815262	3.219900709	0.98681837	-5.501802838	-3.431084134	-4.019349139	1.188824328	-0.083060036	-1.663634762	-0.145086837	1.287085449	0.528827578	0.358044631	-0.693851686	-4.3736784	-13.94811623
CE 22:6; [M+NH4]+@10.00	1.63376992	2.324614001	-0.458450902	-1.340263961	1.62693841	-1.456575099	1.248322339	-1.326468391	-0.613945528	-0.953371936	-2.043291069	2.076214593	-0.995230126	0.349115225	-1.499593723	-3.677799637	-0.219236641	2.55408924	-1.833521026	-0.089284831	0.905260325	-1.673345418	0.185670212	-3.399745163	-1.747350148	-0.143413023	0.353846169	2.828804941	0.149550351	-0.689533386	1.380174252	-3.83560792	-1.596499049	2.610006591	-0.38456708	2.071071505	-1.575884391	-0.163815436	0.094120417	-1.283846869	-2.302363315	-1.895566049	-0.514800134	0.917572195	1.358442804	1.319854918	-0.382794712	0.850940169	-0.588985845	1.785553427	1.79176284	-0.83928123	3.797750629	2.124007217	0.615414323	1.163709972	0.995686121	2.20525676	1.363205099	3.022356877	3.517966544	0.472871124	1.468079547	2.354848473	5.235587551	1.752764807	2.220576749	-1.920988976	0.501498104	1.334916834	0.156844299	-2.171722508	-1.009308906	0.699421121	0.798488336	2.323202775	0.329719032	0.389220269	-0.883555656	-0.877593109	-2.327344324	1.94171316	1.419887145	2.870947556	-4.041362217	-2.191992823	0.569180886	1.27507822	-0.053247502	-0.16915549	1.518878506	1.527390631	0.328887711	0.313892117	0.820453965	1.179321386
CE 24:1; [M+NH4]+@11.39	-1.640162206	-1.174594108	-4.451839675	-5.49683033	-2.338773847	-6.389029794	-2.205982926	-5.106351693	-4.381894333	-4.483529214	-4.823999799	-1.47453778	-5.401126661	-7.248111362	-6.072392297	-7.433386852	-8.038740199	-7.277055253	-6.149470633	-5.468342335	-6.775704427	-7.049789273	-4.191561517	-7.432808761	-7.120708854	-4.689595512	-5.928628042	-1.733799008	-2.193500741	-5.355830741	-2.342739768	-8.274669843	-4.731492282	-5.957925901	-3.33206989	-2.591268615	-7.608169939	-3.1841811	-5.363771645	-4.796126226	-7.290719997	-4.968184806	-5.364429665	-4.420702364	-2.172949634	-5.033116988	-5.180354494	-2.270358842	-3.152567751	-0.075702959	-1.549252648	-2.714469251	0.504285436	-2.540807763	-2.712927793	-0.03479845	-2.824321093	-0.77012525	-1.640384837	-0.985335963	1.079068159	-6.466237858	-2.607379644	0.364031446	-3.075274699	-8.005682526	-3.339817799	-6.349269801	-8.187542601	-3.973727123	-3.261456662	-4.782649725	-5.547821952	-5.627221842	-4.263060337	-2.108909778	-3.173127825	-2.856253067	-5.207817906	-7.085337796	-5.627674925	-4.551767766	-3.790336229	0.649606248	-8.084347432	-9.068148338	-2.455726177	-1.999020117	-4.758080241	-2.0443488	-2.505505701	-2.288130224	-3.227191246	-5.055429723	0.449702738	-2.546166439
DG 30:0; [M+NH4]+@6.55	-1.522968525	-1.798296925	-1.828965102	-2.290431296	-2.101839326	-1.202478474	-2.580059181	-2.819528558	-1.752134182	-2.340451536	-1.805654034	-1.892593259	-2.434926619	-2.17685608	-0.975863457	-1.506965983	-2.402440954	-1.891552916	-0.964768751	-1.361237069	-2.763509978	-1.200991384	-1.516817059	-3.268135944	-2.704695412	-2.280799088	-2.052952041	-2.322887275	-0.697160664	-2.062057964	-2.697178693	-1.815724391	-1.542271571	-1.009686454	-2.268286284	-1.649474216	-1.655634833	-1.972656577	-2.269356102	-1.814453876	-2.754912732	-2.012040755	-1.604733754	-1.97618287	-3.208556689	-1.913632171	-2.53113407	-2.027945186	-1.716186387	-2.064006035	-2.707251722	-2.280669532	-1.889605067	-2.455571902	-1.330676632	-2.649778606	-1.234088101	-2.005277521	-1.438100893	-2.63227693	-1.232945298	-2.294418043	-2.235395606	-0.9083023	-2.669002708	-1.495612611	-1.774443829	-1.985757085	-1.712760394	-2.097727773	-2.866770228	-1.85958531	-1.922171157	-2.328448097	-2.479443614	-3.569105235	-1.497676149	-1.625228227	-2.371387177	-2.620272685	-1.860855033	-1.813820026	-3.115007137	-1.201980534	-1.501325858	-3.265428861	-2.050750563	-2.641130476	-1.710224898	-2.308145364	-2.084351886	-1.499752121	-1.884765933	-2.398102168	-2.527458842	-2.420048197
DG 32:0; [M+NH4]+@7.12	2.372827018	2.435098763	2.826966823	2.751023527	2.49492051	2.512678592	1.937870655	2.456986253	3.112537062	2.368784397	3.370970591	1.570163496	1.619620673	2.800612848	3.689885821	3.211345647	2.755311521	2.403033679	3.202181271	2.399963232	2.592999455	2.164213733	2.271727543	2.107887832	2.543731828	1.901259117	1.961598561	1.980557101	2.939033925	2.372493946	1.508037797	2.114975105	3.203202908	3.365095812	2.06247652	2.469172698	2.549566607	1.860512551	1.900560643	2.044552211	1.994204643	1.665454538	2.364989788	1.969750957	1.688803171	1.808770827	2.256208814	2.551460387	1.967301902	1.488726617	0.789936405	2.063669194	1.982488867	1.854464427	2.005119446	1.521527412	2.988273417	2.635167326	2.844211858	1.17570248	2.304512525	2.199131751	2.540598414	3.197908138	2.082151319	2.350357151	2.061531849	2.325714653	2.307573389	2.17023382	0.970491061	2.039085058	2.046485105	1.530568738	1.636522394	1.176041738	2.645961661	2.380568186	2.198546985	2.275493082	2.902286833	2.405468771	1.683144796	2.489070116	2.323988469	1.580004135	1.814778023	1.68931376	1.861888942	2.05302079	2.369094506	1.938460068	1.940059447	1.186922773	1.350665398	2.078240544
DG 32:1; [M+NH4]+@6.66	-0.358359746	-0.706729601	-0.465143474	-0.777698233	-0.521632479	-0.593544685	-0.369856235	-0.75897995	-1.082041329	-2.126842206	0.040437258	0.125696102	-0.80705723	-0.237102844	-0.420009616	-2.136649533	-1.435413209	1.086203191	-1.163598993	1.311697859	-0.013380527	-0.624415039	-0.570914432	-1.229591314	-1.222498155	-0.643314635	-1.04472041	-1.084297705	0.004234592	-0.325693699	-1.037153759	0.733844066	-1.272525813	0.118671483	-0.869722907	-0.701937083	0.846119786	-0.690430781	-0.94226684	-1.108455977	-0.381331398	-1.565087569	0.244354302	-0.827297944	-1.718579512	-0.947460998	-0.821678451	-0.387238155	-0.795557505	-1.184952165	-0.737943977	-0.912236558	0.678343757	-1.260804553	0.171370093	-0.529042224	0.264562433	-1.51224968	-0.327323911	-0.222278419	-0.616752552	0.399820416	-1.764529338	-0.321703347	-0.964122831	0.993286737	-0.411446264	0.394239426	-0.808587144	-0.29631014	-1.088859709	-0.525093805	-0.799127194	-1.478514045	-1.649553467	-1.500690201	-1.690741202	0.577504846	-1.205581239	0.615563747	-0.875292969	-0.632118526	-0.640936028	0.891758545	0.086327582	-1.693495808	-1.226405431	-0.940442166	-0.45323466	-0.643486532	0.425662683	-0.453980924	-0.961833662	-1.866648316	-0.775591958	-0.766156206
DG 32:2; [M+NH4]+@6.22	-3.467410399	-5.318794881	-2.771174908	-4.096179279	-4.552861314	-3.207042	-2.607395811	-4.122070183	-2.965414648	-3.87574557	-2.851443204	-3.154810453	-3.24501375	-3.034511303	-2.641307425	-3.966755539	-4.479836915	0.180893834	-2.964653669	1.056380828	-3.240061143	-3.400073439	-2.498476167	-2.124959661	-5.193360239	-3.699367063	-2.802535339	-3.812754885	-1.487469238	-1.605975168	-2.728366319	-0.476360212	-2.533873823	-2.352765788	-5.054052507	-3.323234987	0.346378389	-1.820903994	-3.18008183	-3.237468867	-2.595844299	-3.028608252	-1.098896415	-3.588333788	-3.103937888	-4.15017487	-3.030647938	-2.136354883	-3.771016065	-3.529116196	-3.033640756	-4.003614519	-3.117030741	-5.080382868	-3.422092021	-3.934580403	-2.448436507	-4.850468924	-2.018503728	-2.753287904	-3.685681025	-2.200192241	-3.456333973	-2.233247375	-2.749204204	0.373589939	-2.498515496	-0.304188164	-2.922995704	-4.037724955	-3.322608393	-2.038079577	-2.314659997	-4.352393229	-3.463827546	-2.871558653	-3.091000177	-1.473536648	-3.180626313	0.349816393	-2.415464041	-3.822872877	-2.720362971	-2.770125261	0.375677609	-4.194835794	-3.562190705	-3.419011024	-2.280139357	-2.996985436	-2.286526279	-3.73400674	-3.306414943	-2.868414729	-1.825884182	-3.069793294
DG 32:3; [M+NH4]+@5.77	-5.290702087	-4.788389462	-6.36538438	-6.328121992	-6.003372595	-5.488672231	-4.200900974	-4.884488126	-5.327612629	-6.821307023	-4.296513733	-5.495592721	-5.95615069	-5.244749338	-5.114784391	-5.060817641	-5.068916671	-1.993134632	-4.197394439	-1.127497339	-4.757674986	-5.694954016	-7.765364784	-4.667404979	-7.425881231	-6.078271439	-6.168848211	-4.617629437	-4.554786542	-5.059252752	-9.12692343	-1.878659282	-5.053761992	-4.639220854	-5.947417646	-5.004714661	-2.497392401	-5.367255967	-7.039799501	-5.456281553	-4.775516046	-5.389998822	-5.355982818	-6.75437302	-9.006876088	-5.754572323	-5.39876928	-5.042554502	-5.449714972	-5.584138673	-4.737553553	-6.930316964	-4.478050524	-7.658721964	-5.514462297	-6.337953244	-4.981705502	-5.675545973	-4.943689184	-7.850996123	-5.02679853	-5.519167712	-5.782823206	-6.714611128	-3.22057381	-1.760018334	-4.226675051	-1.9667298	-4.264531574	-5.12646869	-4.298076894	-5.735895145	-5.518439116	-5.373522637	-5.645653312	-4.568845544	-4.339892954	-3.837521661	-5.52473503	-1.853901438	-5.727312676	-8.530596972	-4.914588361	-4.897775485	-2.187621016	-6.063351617	-5.18921437	-5.578572884	-4.571691996	-4.283175792	-6.301229733	-4.956688153	-5.420995613	-5.32649894	-5.217334721	-3.893725824
DG 33:0; [M+NH4]+@7.45	-1.744104234	-2.291702071	-1.561245642	-2.35654179	-2.275089555	-1.827720211	-3.28829979	-2.444918449	-2.465424782	-3.214401207	-2.759084242	-2.476982587	-2.390215075	-2.029922617	-1.670628569	-3.227998905	-3.36597724	-2.282725443	-1.837351625	-1.650995818	-2.232170951	-2.418466996	-2.692065727	-2.914771742	-1.583276178	-2.46985754	-2.377209656	-1.48198591	-1.33227144	-2.560930699	-3.08860374	-3.287377606	-1.587316408	-0.801709397	-3.679979168	-1.630655192	-2.264992604	-2.285469966	-3.731651217	-1.89856242	-4.010512557	-3.021316225	-2.023130783	-2.690661644	-3.128599832	-2.189582567	-1.773940422	-2.694330417	-3.142351849	-2.650068991	-3.024632629	-2.257320993	-2.70739751	-2.089342729	-2.67682278	-2.854778886	-1.875058808	-2.687328237	-2.143762612	-2.778551744	-1.834139802	-3.013706432	-2.368702018	-2.718841529	-2.89559397	-2.352358084	-2.063607442	-1.776207915	-3.130227449	-1.847517764	-3.058245521	-2.366517186	-1.513936725	-3.250630349	-3.18150676	-1.97235719	-2.266026487	-3.000183923	-3.275871019	-2.370965503	-2.47492233	-2.673424292	-2.456549194	-1.745871378	-3.845945861	-4.254943664	-2.101497758	-2.376461424	-2.938220515	-1.534198476	-1.543391803	-2.521968931	-2.470886621	-2.740588603	-2.82920722	-3.099999543
DG 33:1; [M+NH4]+@6.89	-1.728556518	-4.120216536	-2.617942046	-2.930512143	-3.028810328	-3.177628209	-3.20409372	-2.986528733	-2.566160827	-5.018170771	-2.945911343	-2.872744979	-3.639096604	-4.249884858	-3.25271025	-6.045449615	-5.116863723	-1.545425726	-3.387348122	-0.67000011	-2.026286042	-3.556212164	-3.787306951	-3.313045234	-4.495595305	-3.137565549	-3.500461009	-2.348040218	-1.898238649	-3.140053993	-3.319459568	-3.244752626	-2.201082843	-1.630358014	-4.995812204	-2.550347594	-1.457683785	-2.394111509	-3.402223079	-4.864662553	-3.426517128	-4.005805538	-1.827263554	-4.453532543	-3.491789999	-2.989920744	-2.175321315	-4.010508357	-3.275416171	-3.870242574	-3.404134284	-3.089920713	-1.014215919	-3.766108835	-1.546640515	-2.952734409	-1.208916282	-2.413868651	-2.680600908	-4.348937235	-2.471164163	-1.862168836	-3.230588856	-1.899244356	-2.741749997	-2.437226228	-2.654891783	-2.724380162	-3.407924125	-2.013956795	-3.028076564	-2.135835749	-2.747471979	-4.874011145	-3.722527304	-3.501623796	-2.500156223	-2.402171653	-3.741234018	-2.381886855	-2.851418432	-2.344159671	-2.628927512	-0.865089347	-2.562269153	-4.316635659	-4.260419889	-2.568827264	-3.290475777	-3.174971007	-1.406917197	-2.721397336	-5.923752605	-3.010347138	-3.074069679	-4.400433864
DG 34:0; [M+NH4]+@7.66	2.954394601	2.904473716	3.268123689	3.112338677	3.163119458	3.116658193	2.176506712	2.965309304	3.478192639	3.85508391	3.625001815	1.722948693	1.89420196	3.240036695	4.126677785	3.563344355	3.369631954	2.693804056	3.762770072	2.586408743	2.684651323	2.767270118	2.343528339	2.503027596	3.138289794	2.213847793	2.476326779	2.469186582	3.425883399	2.930552291	2.184892431	2.463504864	3.470425956	3.40582152	2.331384747	2.823151214	2.758689166	2.116972822	2.398989963	2.152116936	2.291120747	2.325447791	2.840051537	2.234103022	2.336426145	2.029150311	2.57509041	2.835314773	2.838996729	1.891790268	1.413403819	2.629346389	2.541316156	2.203691347	2.265588667	1.771734013	3.590186436	3.245888125	3.195403871	1.672584974	2.812317626	2.561934258	3.027290934	3.679360795	2.765160243	2.345967082	2.427986542	2.593450993	2.554060872	2.539331105	0.96523161	2.567800108	2.456517524	1.81191035	1.957736347	1.873018157	2.629724235	2.895409944	2.724118412	2.496157161	3.109485177	3.014759742	2.291520323	2.644941881	2.612606554	1.909706171	1.933109476	1.912013605	2.643601873	2.853925067	2.528051136	2.375910497	2.537314235	1.127954546	1.64865601	2.419366232
DG 34:2; [M+NH4]+@6.77	2.366243184	1.84918325	2.633317758	1.923439527	2.258774719	2.129913827	2.506328791	1.948890306	1.339138946	0.863576853	1.328097223	1.676709261	1.32547941	1.998206266	2.029411352	-0.298517971	0.725602746	3.595811244	2.358708392	4.125334261	2.742841738	1.923070152	1.74775931	1.846593274	1.312672254	1.554611028	0.688684835	2.12643227	2.732821332	2.403504172	1.040341593	3.2292817	1.788529301	2.864573043	1.03993384	2.177395977	3.653466718	1.78285967	1.220811529	1.471464903	1.31738566	0.151593433	2.753033739	1.341449696	1.667722043	1.581600759	1.695185954	2.036371377	1.224166819	1.441720242	2.408343983	1.444083318	3.196261474	1.485623288	2.389728613	2.167891519	2.619443475	1.814416866	2.268578312	1.712451154	1.776160041	3.021278606	1.875293175	1.83690293	1.745246494	3.699367431	2.765188422	3.16148499	1.802001796	2.344472686	1.337702895	2.317257822	1.611368187	1.662038863	1.232053678	0.964865264	1.044616087	3.271088344	1.309871281	3.324704604	2.581833969	1.311361113	0.842180352	2.782150382	3.396637165	1.718335244	1.57106192	1.56632629	1.6831235	0.767604802	2.340001425	1.803972053	2.322288649	1.098218444	2.499867462	2.082978349
DG 34:4; [M+NH4]+@5.86	-6.060440124	-4.431820012	-3.814899438	-4.764217797	-4.738977999	-4.140382396	-2.680439597	-3.882535749	-3.803254714	-4.873907965	-4.980050417	-3.821826683	-4.68964309	-13.01575258	-4.034443919	-5.727556543	-4.855561536	-1.528961813	-5.466500741	-0.975825653	-6.922639687	-4.884949627	-5.109784862	-4.379917986	-5.026585438	-3.669137297	-3.92288736	-3.301285136	-4.191494266	-4.965083705	-4.040615571	-0.798170747	-3.057161488	-5.548323595	-5.287463332	-3.560586349	-2.515702381	-5.167732999	-4.100344539	-7.38677088	-4.38072317	-7.267392416	-4.206087977	-5.279369529	-5.551718314	-4.524104596	-3.191126983	-3.21921874	-3.222606999	-7.440942176	-3.777836649	-5.052418443	-3.432762941	-6.261953663	-3.737502559	-5.603937473	-3.286465799	-6.095229164	-3.053071194	-4.384879997	-4.295544984	-3.101586558	-5.522751426	-4.11471887	-4.974064055	-1.071198882	-9.101845615	-0.848948228	-5.552361751	-3.886829046	-5.339371034	-4.526912781	-5.768718284	-3.563653371	-4.624726684	-4.404998455	-6.701216082	-2.926033661	-6.249735582	-0.89369851	-4.844262135	-8.387786396	-5.376830694	-4.282745971	-0.166475646	-4.49131896	-3.817377503	-5.14209872	-4.346006316	-6.397106504	-3.563225712	-4.484550021	-4.892340385	-6.383916209	-4.848507932	-3.958675663
DG 35:0; [M+NH4]+@7.89	-2.900561329	-2.141706592	-1.566717553	-2.889489332	-2.776482253	-3.763778104	-3.070081614	-2.628073735	-1.878835098	-3.659676437	-2.55344644	-1.759211063	-3.136749363	-2.214537261	-2.703169489	-4.255609805	-3.131766251	-2.459144005	-2.24415268	-1.353244732	-4.510543323	-2.189887367	-3.404746852	-3.751143135	-1.971112616	-2.485134166	-2.575647393	-1.539086753	-1.829101365	-2.974828752	-2.10933713	-3.889253321	-1.98152807	-2.126061784	-2.100186629	-2.319671633	-1.636591927	-3.45452101	-4.753838171	-1.930325018	-3.720033649	-2.304780437	-3.040177211	-2.771413121	-2.520095233	-2.679378309	-2.056685529	-2.646445166	-2.931026411	-2.214202672	-2.513140449	-1.971780426	-1.836620394	-2.233909195	-2.344391849	-3.727877137	-1.962853775	-2.062998383	-1.66593456	-2.721349865	-2.059937077	-1.300270765	-2.397918224	-2.253117558	-2.096471656	-1.891382266	-2.319989172	-2.126535198	-3.131612966	-1.558780934	-3.15465784	-2.270812558	-0.685546459	-3.388063689	-3.357359563	-2.451821057	-2.419013892	-3.146550677	-3.767275252	-2.460188447	-2.234283341	-1.901097217	-1.906505377	-2.289222238	-4.238294402	-5.475285904	-2.009161118	-1.401127011	-3.176598079	-2.637969543	-2.434899634	-2.636033375	-2.394913351	-3.173807158	-1.881584112	-2.385228642
DG 35:1; [M+NH4]+@7.42	-1.73567032	-1.510023681	-0.659330191	-1.98588838	-1.194524058	-1.7551392	-1.638155337	-1.679320474	-2.069551505	-1.689271584	-3.022145943	-1.626724971	-2.706987734	-1.682849496	-1.617060863	-3.500745479	-3.007183715	-0.432664758	-2.31468605	-0.419445736	-1.567569336	-1.454782521	-2.093910539	-2.291008801	-2.379899498	-2.544367418	-3.328038944	-0.45259584	-0.517508801	-2.970080648	-1.408237736	-1.782649245	-2.068849286	-0.299013811	-1.860701949	-1.953184347	-0.494218723	-2.10568206	-2.7686636	-2.254826816	-3.827901344	-2.669474311	-1.563250622	-1.907667029	-2.702426447	-1.59091536	-1.592209031	-1.763915027	-1.670981789	-1.917762017	-1.100764402	-2.420274937	0.182117892	-1.731598733	-0.700703178	-2.055563393	-0.654419748	-1.822524958	-1.255274088	-1.762770094	-1.319779133	-1.471178734	-2.217287861	-1.143562351	-0.581614686	-0.9057222	-1.131880648	-0.855420168	-2.204970101	0.12959246	-1.81497729	-1.168971924	-1.902205379	-2.894010898	-3.654082835	-1.46716165	-1.718226493	-1.005355946	-2.650362982	-1.247034923	-1.058617245	-0.804872195	-1.479817306	0.423590974	-1.290237754	-3.151298267	-2.472046766	-1.01168253	-1.386700449	-1.651892786	-0.422056182	-1.77917642	-1.714024847	-2.425518905	-1.991532612	-2.778317145
DG 35:2; [M+NH4]+@6.99	-2.613077445	-4.410474584	-2.459414188	-3.088255878	-2.06559963	-2.77264854	-2.337421775	-3.037405993	-3.054152833	-4.058617671	-3.916234083	-2.398731966	-2.778128497	-4.869154996	-3.844034477	-4.627510306	-3.401397242	-1.734899177	-3.129134427	-0.698406555	-2.639678531	-3.078009549	-2.305790145	-3.3133399	-3.066080701	-4.77394238	-3.114013998	-3.157589786	-1.852794649	-3.211423639	-3.478785418	-1.556631592	-3.391216186	-2.386059925	-5.785015244	-2.426754913	-0.969432682	-3.214677548	-3.213639961	-3.304704439	-3.189727666	-5.882844899	-2.926185389	-4.477234161	-3.022305898	-3.16056557	-2.27848313	-2.74576027	-2.762469544	-3.191654173	-1.146886227	-3.864975363	-0.551400025	-3.490021192	-1.979151575	-3.278710738	-2.806279467	-3.147059439	-2.560157979	-2.734341722	-2.827369314	-1.211739952	-4.226067739	-1.997552916	-1.538418439	-1.558983573	-2.656467046	-1.881601651	-2.639863994	-1.45882643	-3.234544246	-1.728657308	-2.805963057	-3.193554858	-2.652565217	-2.375310096	-4.657782933	-1.162585422	-3.127323135	-2.01622661	-1.520809902	-3.66620013	-3.180165713	-0.834507628	-1.566394292	-3.435161011	-2.585101857	-3.085208264	-2.812034768	-3.688691518	-2.678533521	-2.316319771	-2.314988246	-3.361016897	-2.053117162	-2.45225455
DG 36:0; [M+NH4]+@8.13	1.309302617	1.594680763	2.014770931	1.331592127	1.813524033	1.55789893	0.868577595	1.335603621	1.766755987	1.959851114	2.028557792	0.424766576	0.217615813	1.87436251	2.367645301	1.938377229	1.870162744	0.9161628	2.361344398	1.069312492	1.108449829	1.200436108	0.439262007	0.714461986	1.453503029	0.760647737	0.823015199	0.508055795	1.426510057	1.309183637	0.662296983	0.939111512	1.744841012	2.19501153	0.635860272	1.21041975	1.324421869	0.407760468	0.895931851	0.443872486	0.646106021	0.756772752	0.807363448	0.59299794	0.995407307	0.349234153	0.787758527	1.272507594	1.15199259	0.499193612	-0.183017997	0.87474119	1.173846988	0.924860725	0.739121299	0.258950091	2.068395648	1.452949631	1.428215171	-0.032292353	1.255791763	1.061542179	1.453203538	2.211302268	1.177203479	0.594177054	1.044736621	1.324786816	0.922184871	1.122612421	-0.508180053	0.872215027	0.908804931	0.067898253	0.385699429	0.27593811	1.119127182	1.158584314	1.177939707	0.944982822	1.163675824	1.754005481	0.201110533	0.844424116	1.021293347	0.232711866	0.404624455	0.368866232	0.843986251	1.091649412	0.772850814	0.604085729	1.096459859	0.06525707	0.214924327	0.93455262
DG 36:1; [M+NH4]+@7.71	2.630007535	2.582605364	3.323969272	2.705556732	2.519755093	2.457123624	1.943366849	2.221564384	2.013112299	2.276073701	1.718749687	2.363339811	1.548625359	2.195176288	2.199415797	-0.184966169	0.125378805	3.384635448	2.480270693	3.141967182	2.323891093	2.90000219	1.799601203	1.763037553	1.244364761	1.902325017	1.443768763	2.59653546	3.143327913	2.359360918	2.262018005	2.031623918	2.419615539	2.972548595	1.776950296	1.959017733	2.725202452	2.078730454	1.229982628	2.020302706	0.834543129	0.980921564	2.296922303	1.871579288	1.922823691	2.499737904	1.942360488	2.144833935	2.677268135	1.881435053	2.207025002	2.442927233	3.761434664	1.686459411	2.633135221	2.251908332	2.881255037	2.729887783	2.849318461	2.165355708	2.965435401	2.869594514	1.570357985	2.385566482	2.183520773	3.040947623	2.353440743	2.622635814	1.786600243	3.316160011	1.19052358	2.66846851	1.789086726	1.520840773	1.217311817	0.604723915	1.924943214	3.497717899	1.416090408	2.411494953	2.467677764	2.710882735	1.965791553	3.246462852	1.995466951	0.636662322	2.000372662	2.348228662	2.084505162	2.272067957	2.547453085	2.491307615	2.057728221	1.490747524	2.327867908	2.302465847
DG 36:2; [M+NH4]+@7.27	3.299983461	2.669634457	4.094410272	3.043737328	3.197738225	3.01737269	3.33167573	3.138709547	2.382747675	2.392475088	2.180017071	2.92366389	2.372258759	3.203963035	2.92234538	0.490761362	1.51664517	5.084179158	3.170568244	5.398951994	3.378149565	2.912623095	2.362034216	2.738536702	2.090552061	2.415672863	2.590781706	2.985640028	3.499161919	3.249456982	2.306724703	4.743798955	2.896389163	3.731986865	2.17721703	2.839340518	4.786073349	2.539973566	2.132727681	2.407836295	1.812722677	1.131548325	3.27167602	2.361061441	2.885266808	2.659339165	2.80560007	2.989367946	2.64297869	2.414563267	3.297877062	2.438262755	4.802740881	1.902147201	3.03191396	3.193938622	3.419339942	2.979293804	3.271151407	2.524988083	3.003845372	3.99813689	2.610470873	3.371172203	2.990939228	5.362786705	3.296218446	4.58145066	2.341163208	3.860321983	1.842612275	3.148862755	2.567105594	2.184716248	1.891381196	2.060001231	2.316432541	4.261446137	2.205388328	4.635058024	3.362629839	2.514071828	2.063012426	3.74544509	4.600198722	1.983081346	2.353097959	2.791933293	2.289163416	1.939812924	3.139691304	2.761331664	2.995012414	1.925905408	3.468066205	2.802546702
DG 36:3; [M+NH4]+@6.87	2.116250424	1.433642999	2.724769597	1.767741909	2.282533942	2.085738296	2.395664226	1.905505846	1.162553881	1.486414169	0.996918038	1.527741462	1.073750833	2.322272071	1.714497775	-0.406825866	0.622962079	4.496037147	1.918603217	4.772273896	2.608615359	1.528879885	1.491764775	1.604870922	0.859864923	1.150942225	1.830366425	1.847337955	1.502495287	1.860571485	0.695755403	4.278698717	1.721744751	1.801212831	1.105495483	1.615517717	4.094095894	1.70533929	1.234243989	1.455706678	0.306984977	0.19525449	2.0764534	1.365169615	1.616790264	1.528915729	1.666568675	2.061525152	0.922833779	1.046510429	2.234301539	0.223345431	3.328406119	1.023827725	2.214351058	2.025560829	2.764122616	1.565655706	1.974512816	1.403520674	1.003397153	3.088946578	1.636103244	1.872705518	2.243583197	4.840717943	1.979963545	3.811399398	1.673474121	2.308216485	0.869319029	1.754746173	0.731108495	1.125365047	1.075881144	1.144655693	0.952643952	2.983886377	1.071928337	4.058840332	2.482418459	0.661977633	0.359599434	2.320461918	4.069178756	1.639206867	1.771166828	1.768691693	0.922745776	0.416140605	2.087367497	1.583568027	1.794369401	0.724527703	2.757311296	1.629994118
DG 36:4; [M+NH4]+@6.61	2.101397836	1.152901599	2.404332607	1.095091751	1.998837587	0.019604829	1.767216824	1.561108353	1.343009317	-0.576138927	1.989312346	1.323483857	0.889308598	2.225826775	1.030419329	-0.487683028	1.485610453	1.520662205	1.306902307	1.738056328	2.447666354	0.070610416	0.795208163	1.32147051	0.494042544	0.749298269	0.976121646	1.545658675	0.52205683	1.191965311	0.828741669	1.23972743	0.68465334	1.37384011	-0.027364321	0.83027352	2.881955816	1.334996574	1.319874238	0.323428756	0.507287987	-0.203008385	1.270773961	0.765690429	0.992006924	0.313524556	1.222458337	1.011203086	1.28521577	0.033222845	1.595883276	0.52106051	1.465098548	0.617938682	1.548125618	1.249109126	1.986153621	0.4269936	1.586789706	1.050570763	0.433499745	2.657857977	0.98385656	0.770304686	1.147035646	1.768437739	1.611072098	0.77896968	1.260523384	1.362721598	-0.317887832	1.406138808	-0.977203349	1.24490558	0.220812546	-0.045433376	0.301711267	1.5707007	0.129874815	1.715363833	1.48692538	-0.076017324	-0.095318574	0.546403217	1.062562935	1.907547471	0.057009517	-0.486960714	0.138471597	-0.181004105	1.514367982	1.055182634	0.983884	0.147106203	0.397864199	0.741014902
DG 36:5; [M+NH4]+@6.09	-3.599506236	-4.848061291	-4.576809883	-4.176955891	-3.652203098	-4.264635766	-3.383302871	-2.625288101	-4.072165614	-3.402422559	-3.851748347	-2.72766766	-4.505505934	-5.097400771	-3.646453205	-5.618241876	-2.976586204	-2.727881618	-4.478544284	-2.528597055	-1.739455103	-3.758186481	-3.679659737	-3.280875993	-4.106552975	-4.252334519	-1.62510174	-2.474391851	-3.176671332	-3.508211456	-5.50198052	-2.607397456	-4.330210909	-3.303392409	-3.378160701	-3.311305996	-2.595240828	-3.512489711	-3.471793444	-5.280471933	-4.196329797	-4.735165638	-3.649735435	-3.587029792	-4.243812105	-3.201420913	-4.004677989	-3.891558848	-4.333810511	-7.227203299	-3.103800716	-5.228813941	-3.599093945	-5.635557187	-3.519496038	-3.778005949	-1.989726413	-3.740787831	-3.729292393	-4.217595112	-5.919943892	-1.828438303	-5.019122307	-3.935908278	-2.708691397	-1.363546378	-4.090671339	-4.077767704	-1.660245087	-4.719379176	-4.442256631	-4.025668782	-4.92163889	-2.684397346	-3.857669185	-4.180185151	-4.675104535	-3.255875957	-4.220075702	-2.774759545	-2.448041615	-3.770198028	-2.945209618	-3.268141039	-3.728275448	-2.978387058	-4.800314535	-4.496347673	-3.296181696	-4.947059814	-2.846546338	-3.927433231	-4.395323313	-5.432924774	-3.374803652	-3.33265282
DG 37:1; [M+NH4]+@8.03	-1.784412503	-2.631642791	-1.821184228	-3.262294012	-2.904117488	-3.356863214	-3.116942969	-4.01575538	-3.413413721	-3.357290432	-3.408149619	-2.675315007	-3.642911104	-3.130428271	-2.881166728	-4.537092216	-4.874807265	-2.348766591	-2.718775217	-1.970281466	-2.921197907	-2.678403554	-3.126415069	-3.884501819	-3.08951015	-4.287881692	-3.740143442	-2.241728417	-2.167185294	-3.122454314	-1.875204278	-4.046027793	-1.547995975	-1.895797943	-2.929397845	-2.545867229	-2.538515111	-3.089689347	-4.583144294	-2.27722315	-3.868538953	-3.061824076	-3.408842697	-3.113087208	-3.839304977	-2.669443256	-2.831159923	-3.802497465	-2.350203984	-2.245104928	-2.143472971	-2.747705024	-0.733981668	-3.145343291	-1.748723888	-2.693254032	-1.871485525	-2.884523673	-1.883590962	-2.983631189	-2.635405132	-2.55019839	-4.35377063	-3.286146364	-1.967925489	-2.56086971	-3.519643412	-2.337871883	-4.426828542	-0.665713202	-3.711430727	-2.492279734	-2.319376495	-4.876359109	-4.294611402	-3.555599133	-2.41425746	-1.810791183	-3.706287528	-2.72243036	-2.195943318	-1.00808715	-3.507899828	-1.168309236	-3.661763818	-4.610024665	-2.630446582	-2.034974115	-3.246056073	-2.181773287	-2.100131047	-3.006179416	-3.08053828	-3.138431118	-2.370874956	-3.673229009
DG 37:2; [M+NH4]+@7.64	-2.111056915	-3.508587786	-2.433432018	-4.532112065	-3.938388003	-3.921129842	-3.652938941	-3.158902392	-4.22825643	-3.758137564	-4.736135694	-3.350501246	-5.122395969	-3.560529668	-4.636935845	-4.592587474	-4.521563635	-2.369514563	-1.982413676	-0.907216998	-2.690900557	-2.426240408	-3.4567056	-5.029205426	-3.381415036	-4.317360522	-3.921101796	-2.300906258	-1.944985036	-2.992369827	-2.522852294	-2.025340655	-3.093567474	-2.672815733	-3.435071236	-3.129587811	-1.586485939	-3.427730625	-4.474255352	-4.409305955	-5.216907338	-6.064185328	-3.332535573	-4.492999194	-3.427174146	-3.114322029	-3.198067318	-3.15630306	-3.073775691	-2.687870765	-1.439980772	-4.057777628	-0.223797389	-5.235249994	-2.067083403	-2.932769829	-2.219536064	-3.084317429	-2.59458919	-2.91514289	-2.943543206	-2.643465367	-3.221437328	-1.832551206	-1.628655374	-1.738401514	-2.624352691	-2.018542886	-4.433922571	-0.4854407	-3.254257023	-1.574116028	-3.924428259	-3.613218315	-3.224223538	-3.32892925	-3.534369218	-2.11526609	-3.879774859	-2.932803696	-2.387495029	-1.996962552	-2.412374842	-0.301983677	-2.395219777	-5.234467862	-3.89323114	-2.589437347	-3.525959964	-3.832479821	-2.538936163	-4.13774182	-2.580290087	-3.635757515	-2.118864096	-4.983240521
DG 37:4; [M+NH4]+@7.03	-2.034720161	-4.642989828	-2.083718406	-4.523522877	-2.317081327	-3.928618774	-2.581186766	-2.1088417	-3.482801696	-3.273224514	-2.508023608	-2.103146499	-3.294187028	-1.180884722	-2.922273942	-4.044229314	-1.649314907	-2.833779507	-2.726286145	-2.216006639	-1.422210084	-4.021398447	-3.026318344	-2.45754673	-4.530163018	-3.387280577	-1.093222697	-2.612378064	-2.058710684	-2.544625844	-3.338355329	-4.016267572	-3.779607094	-1.851452731	-3.956409849	-4.155250375	-1.593293459	-1.59493601	-1.73682634	-2.581144809	-2.9082585	-3.616033433	-2.224546032	-2.562762669	-3.633897447	-1.880719748	-2.297337802	-2.249973555	-2.735238194	-3.776225319	-1.95702155	-4.537731055	-2.154575227	-3.536856028	-1.781063991	-3.107690792	-2.735266594	-3.618934221	-4.272740995	-3.538427159	-3.359071843	-1.546898076	-2.51076453	-4.286056099	-2.430256088	-3.864653116	-2.518901016	-3.085590709	-2.923361129	-2.756110893	-3.608813093	-2.070926185	-3.611134149	-3.180412448	-3.474264233	-4.938907517	-3.709935786	-2.555867507	-2.998375665	-4.141189866	-3.807808487	-4.230553127	-5.521522831	-2.132832782	-2.96511861	-2.069743134	-2.712967941	-1.956536093	-2.749717766	-4.788615268	-2.203217447	-3.579875695	-3.371499533	-3.671498719	-2.573547087	-1.508986064
DG 38:1; [M+NH4]+@8.17	-0.477409667	-0.362697356	0.492497654	-0.201362648	-1.296909823	-0.508735349	-1.247398839	-0.967590936	-0.401749042	-0.458327088	-2.672203224	-0.33589964	-2.011911853	-1.062547367	-0.690013053	-2.936958234	-2.829725391	-0.099322283	-0.830130918	-0.314570027	-0.6890506	0.415492795	-1.0939184	-1.648320778	-1.370986204	-1.585516305	-3.258776645	-0.612919033	0.467859929	-0.611194098	-0.290279327	-1.574015296	0.008172981	0.334798166	-0.86341101	-0.848782303	-0.503058406	-2.093742231	-2.839418706	-0.508345128	-3.109249509	-1.77657939	-1.583495261	-1.336723638	-1.163448555	-0.632767534	-1.244847588	-1.124894844	0.120813061	-0.653077184	-0.696618815	0.181607582	0.847238248	-0.567028851	-0.245955809	-0.91397364	-0.371023289	0.433227664	0.239225865	-0.191920529	0.374535097	-0.534439987	-1.315273967	-0.696249207	-0.753664541	-0.474574783	-1.081315887	-0.345226587	-1.516567159	1.158047664	-1.028591445	-0.480376449	-1.477976915	-1.563669999	-2.13996216	-2.127238899	-0.545253369	-0.024159196	-1.384949391	-0.78686775	-0.516343535	0.667672625	-0.887901904	0.647304398	-2.25863137	-4.005952914	-0.851538074	-0.496848588	-0.948194002	-0.303512583	-0.483586502	-0.504990789	-1.062351773	-1.624645001	-0.042246877	-0.337650001
DG 38:2; [M+NH4]+@7.76	1.629013921	0.73562154	2.53014761	0.909627204	0.482907887	0.877547068	0.554500258	1.0140881	0.290453891	1.288167705	-0.506991714	0.909068912	-0.215432839	1.164760688	1.010300322	-2.205036462	-1.954038184	1.319159415	0.904229211	1.912062995	0.684200083	1.644435988	0.061862893	0.713855091	-0.398194926	0.15350442	0.24215843	1.112397067	1.622087006	0.961819151	1.002135188	0.315514146	1.546152357	2.004140279	0.503608405	0.519756457	1.331541223	0.676879118	-0.377765628	0.844021624	-0.992267222	-0.769719994	0.017350989	0.548817539	0.710708089	1.091210764	0.579458531	1.083037466	1.709532862	0.733756951	1.80511145	0.967020351	3.311019583	0.042538527	1.396847017	1.100865632	1.469372315	1.895075182	1.752444599	1.052734881	1.706392275	1.684495614	0.337453735	1.866231353	0.692260567	0.800539653	0.95671737	1.678838764	-0.021080693	2.965192731	0.019022515	1.742111727	0.63144211	0.081026224	-0.144294236	-0.86569096	0.25436573	2.533549374	0.013154021	0.838410995	1.243770716	1.542565146	0.525233065	2.568269269	0.563248065	-0.469283025	0.531476474	1.444858307	-0.100100016	-0.15500213	1.087859132	0.88448044	0.94958348	0.372607694	2.320145783	1.342644915
DG 38:3; [M+NH4]+@7.46	2.205399876	1.405260652	3.73113317	2.419504264	2.250534942	1.994003293	1.521292641	1.728133053	1.998723019	2.123490866	1.362593807	1.169894463	0.903710986	2.722713168	1.803182341	0.086472292	1.323200427	2.30264069	2.1060852	2.823956286	2.026569716	1.555108037	1.501036743	1.912919121	0.672720855	1.666201544	2.634606721	2.142861669	2.095107778	1.269458262	0.572966121	0.669620582	2.381810856	2.30254431	1.34950244	1.832704535	3.023201995	2.062790439	2.239910023	2.057356277	0.728681545	1.009135482	1.838406583	1.794842397	1.359584509	2.288269143	1.800291221	1.645291527	1.2841235	1.708050503	2.098593911	1.047399582	3.023925345	0.837452027	2.254285336	1.974389514	3.134986764	1.52095234	2.194704361	1.710474154	2.272647124	3.125400752	1.822016187	1.527371058	2.325412253	2.060567777	2.418104224	2.691056553	0.411113284	2.750991403	0.639432454	2.387322615	-0.035056173	1.893642119	1.627449682	0.638229251	0.88799899	2.704784581	0.97203607	1.11651973	2.260774592	1.36290974	-0.173987979	2.541369597	1.180471614	2.0589166	2.000394679	2.395436246	0.709433772	-0.082460525	1.877089601	1.834519594	1.592872664	1.261575181	2.549801652	1.892005814
DG 38:4; [M+NH4]+@7.17	4.994599951	3.326606787	5.507745034	3.942943504	5.025214557	3.793140215	4.400949681	4.652018555	3.765028427	3.386433024	5.215183875	3.492677346	3.435597334	5.55482964	3.906130923	3.442498715	5.251369072	3.662382167	4.053174758	3.669431429	5.107889422	2.93622521	2.920464571	4.624041496	2.485940342	3.315092264	4.807272209	3.81408249	2.821644614	3.40600945	2.934185015	1.465641103	4.16176931	4.265959617	2.764182305	2.901652653	5.197114198	5.009056174	4.8544792	2.568294202	3.859699746	2.493314517	4.042367322	3.989939763	3.646908483	3.455460776	4.301865251	3.335991088	4.017724864	2.633607692	4.453242022	2.566784344	3.112119034	2.538991002	4.275215078	3.505636139	4.432879673	2.43705902	3.532373648	2.962367395	3.45069964	5.746688929	3.519068376	3.057315582	3.11410321	3.119306181	4.534053306	4.032477774	3.866848878	4.069087819	1.717788321	3.626286309	1.091760608	3.964856758	3.001672906	1.895790902	2.383684899	3.48880345	2.776205153	2.657651789	4.457737377	2.256440708	1.833462976	2.402019935	2.413325521	5.414435886	2.493736821	4.110012724	2.126128211	1.796578541	3.772225067	3.845276395	3.409955915	3.134100659	2.959562749	2.873796932
DG 38:5; [M+NH4]+@6.73	1.77510066	1.214463291	2.66111738	0.327570904	1.795032058	0.980419982	1.77164728	1.767865761	1.005409874	0.422889964	1.508690239	0.794793428	0.633213989	2.37388877	1.15433955	0.232246783	1.446475296	0.612917633	0.757993758	1.206962342	1.866676313	0.285675414	0.09650017	1.431023719	0.236035281	0.166002099	1.517524762	0.788288315	0.191365659	0.124206319	-0.05014334	-0.941597036	0.947564484	1.854310959	0.142164251	0.438757567	2.311810479	1.776073693	1.066829998	0.746365433	0.447315758	-0.488096952	1.061731424	0.529247226	0.223706816	0.362584565	1.177669372	0.304459144	0.840550361	0.131295535	1.735460663	-0.135006036	1.744814084	-0.284626848	1.331204159	1.167489493	1.788546041	0.02359668	0.809245643	0.779986568	0.562806962	2.788985341	0.646496008	0.857390757	0.337898415	0.695015734	1.25267605	1.367086624	0.86573871	1.40942899	-1.134003744	0.828473146	-0.795513238	0.576568749	-0.041744922	-0.498986613	0.134344756	1.109090843	0.028721097	0.201029743	1.268400517	-1.031014964	-0.172397376	0.764144429	-0.008055125	1.285189357	-0.002140002	1.214875451	-1.00117361	-0.584954869	1.423922679	1.060846734	0.623626153	-0.121436229	0.643843084	0.222507505
DG 38:6; [M+NH4]+@6.52	-0.191528199	-1.83044339	0.352089609	-1.263087059	-0.334910013	-0.751497347	-0.013905161	-0.125588082	-1.130089379	-0.898062499	-1.428642606	-0.907366864	-1.360747885	-0.49452556	-1.333714627	-2.230764244	-1.616696015	0.856615266	-2.51538956	-1.51473884	-0.150169888	-1.090252155	-2.026348934	-2.656051979	-1.352574624	-0.740497522	-0.449259412	-0.665769916	-2.152103239	-1.872926597	-1.546145553	-2.35610224	-0.720149104	-1.105602755	-2.11536254	-1.617087473	-0.005579115	-0.993845047	-1.125225579	-2.036710733	-2.350197343	-2.380499269	-1.621639029	-0.990250671	-1.119845032	-0.674623413	-0.190381543	-1.60376182	-0.703867658	-2.479272663	-0.143498793	-2.76922482	0.16307182	-1.664830628	-0.205544241	-1.064317366	-0.471108391	-1.929313433	-1.098110795	-0.997880444	-0.852366975	0.829891404	-1.597347271	-1.26102864	-1.561833947	0.221096276	-0.9120898	-1.506417689	-1.019781221	-1.008567076	-2.23035551	-2.369718979	-2.969989461	-1.235324228	-0.80177612	-1.629351724	-1.354898196	-1.317158241	-3.521570511	-2.252175275	-0.205033552	-3.21841634	-2.139401408	-1.125057547	-2.622699525	-1.09705904	-1.999685495	-0.634824481	-2.595549826	-4.101228596	-0.679371343	-0.87629025	-1.740374931	-1.600527944	-2.293327337	-1.358151817
DG 40:0; [M+NH4]+@8.97	-3.515559104	-3.481368701	-2.933673622	-2.483711463	-3.923517791	-2.484304095	-4.005242314	-3.636376152	-3.933027681	-3.660964622	-3.810343319	-3.969910916	-4.501833401	-4.288404218	-4.60381371	-5.010702052	-4.224857374	-3.97162048	-3.650759811	-5.714484943	-4.138746866	-3.19120931	-3.166036175	-4.809565825	-3.856899084	-3.786729746	-4.970160879	-3.439880898	-3.469225348	-5.672115563	-4.267839137	-4.251571346	-2.258896991	-2.305942971	-4.048827057	-2.946268308	-4.191476939	-5.365728961	-6.124313519	-4.206449534	-7.552350652	-3.163066026	-4.215381692	-3.777138893	-4.196985982	-2.966173599	-3.66333999	-3.893553095	-3.088371164	-4.351316252	-4.159982803	-2.683304962	-3.731718735	-3.359451097	-3.522031469	-3.971818815	-3.123692994	-3.397890236	-3.120998552	-3.713914721	-3.143617232	-3.806799325	-4.429204713	-3.224604094	-4.313163537	-4.626120758	-4.348272593	-4.183150089	-3.55567031	-3.064362951	-4.160006004	-3.997964468	-3.822915274	-4.966318603	-4.051775285	-5.185319187	-3.091985939	-3.607924162	-4.254309128	-3.298549897	-3.380628798	-4.378320263	-3.687627829	-4.092659027	-6.665190474	-6.514184371	-3.834287209	-5.42727311	-3.594995709	-2.670034861	-3.38619544	-4.093855359	-3.956403717	-5.334034203	-5.236156346	-4.362724053
DG 40:2; [M+NH4]+@8.18	-1.580280403	-1.989148678	-1.294867138	-2.493222016	-2.601972024	-1.810203428	-2.288871192	-1.942304709	-1.732651479	-3.265833137	-5.21920565	-1.881478487	-3.803836149	-2.078667707	-1.766915651	-4.22670155	-4.385623758	-1.280932338	-2.627033182	-2.457946423	-2.806182109	-0.585478072	-3.052749624	-2.816628942	-3.228845627	-3.084573327	-3.460568133	-1.43331686	-1.745431129	-1.622856572	-2.348649148	-3.168781717	-1.542145311	-0.950839059	-3.381965809	-1.562889264	-2.603778315	-3.978978788	-2.68978498	-2.214391205	-6.17345325	-4.912004207	-3.467077465	-2.714167453	-2.565172746	-2.686556566	-1.916538908	-2.128327637	-1.56035589	-1.761529881	-1.380307984	-2.935859742	0.120114175	-2.662257883	-1.488049297	-2.739577533	-1.618162066	-1.796854454	-1.435404877	-2.100401283	-0.656897319	-1.92354287	-1.941294521	-0.836177951	-1.931184932	-2.334835265	-2.567637889	-2.064369581	-2.782097531	-0.158055261	-2.459441761	-2.228517571	-3.276475843	-3.845360679	-3.077864629	-2.986619724	-3.665938714	-0.719514167	-2.914182291	-2.144173656	-1.825163282	-1.186615074	-1.809602663	-0.319584008	-2.035527876	-4.786560247	-1.979184147	-1.107430699	-2.224385566	-2.682772274	-2.096284308	-2.37223921	-2.612500105	-2.940429612	-0.051370721	-1.683425004
DG 40:3; [M+NH4]+@7.91	-1.409834334	-1.663010514	-0.281834099	-0.880170326	-2.181506459	-1.822021964	-1.763699869	-1.857987642	-3.079326242	-1.534225385	-2.683071612	-2.347275325	-3.189468216	-1.917534122	-2.604223307	-5.558949883	-2.515949032	-2.046228084	-2.40624963	-1.453286178	-1.611574639	-1.339981831	-2.920974907	-2.863616788	-4.019388771	-2.751742971	-1.864546756	-1.880033801	-1.238886343	-2.734692099	-3.242649751	-3.232296671	-1.088473774	-1.192802485	-2.188741749	-2.125012677	-0.601175253	-2.461314257	-2.63166116	-1.25479878	-3.296436656	-3.518424544	-3.123074	-2.409633737	-1.707189444	-2.847440768	-2.009081002	-2.522130544	-1.910570249	-1.620243965	-0.782433971	-2.95690554	0.069469741	-4.301914813	-2.476642115	-1.93757793	-1.213907853	-2.861037201	-1.612482366	-2.246877196	-0.660516329	-0.766182247	-3.592377009	-1.940033763	-1.838979733	-2.513292021	-2.162732381	-1.375600881	-2.225619599	-0.469952235	-2.352995977	-1.260126962	-2.689929595	-2.671592756	-2.852916001	-3.177425708	-3.632419252	-1.278301131	-2.579556291	-1.849194257	-2.111020105	-0.898553238	-2.096311744	-1.264293861	-2.015446263	-1.916124919	-1.693211842	-1.188969591	-3.290382787	-3.012273736	-1.578698366	-1.855955986	-1.614024404	-2.547391208	-0.289244198	-2.256569225
DG 40:4; [M+NH4]+@7.63	1.071881832	0.023450097	1.467319898	0.598338812	0.9243969	0.249264252	0.732073962	0.486281925	-0.481686526	-0.036765893	0.584060218	-0.119782164	-0.50594246	1.351107134	-0.042924063	-0.823224713	0.787229427	-0.583479808	-0.388294991	-1.253092328	1.121067451	0.333769004	-0.536408443	0.147718342	-0.768583879	-0.398484126	0.464002604	0.201313864	-0.463132172	-0.202156658	-0.146254014	-1.973075791	0.310293157	0.139954812	-1.134593611	-0.367631841	1.510420553	0.704308022	0.233819401	-0.664004588	-0.795354601	-1.316758975	0.090433143	0.23155671	0.093128696	-0.911664498	0.159001046	-0.249472692	1.092272884	-0.720508343	0.890215313	-0.695306713	0.847728879	-1.891479958	-0.150040681	-0.338791924	1.012095324	-1.951544913	-0.096628342	-0.750038628	0.515173937	1.662024356	-0.197536982	-0.174504101	0.226294455	-0.926916798	0.467339769	-0.394030883	-0.26862985	1.100878178	-1.587420057	0.528623127	-1.845856234	0.422535881	-1.342408589	-0.980317868	-1.231259514	0.406849043	-1.390567372	-0.456282234	0.958160236	0.068809364	-0.632124207	0.409710472	-0.439229516	0.782780325	-0.693256277	0.72291569	-1.284809865	-0.628249052	0.302261578	0.482336406	-0.227833163	-0.768881039	-0.244969619	-1.642514153
DG 40:5; [M+NH4]+@7.30	0.807327068	-0.367170858	2.001119653	-0.008472508	0.55795061	0.341796157	0.92960965	0.853173311	0.639711413	0.341329852	0.616857937	0.229814	-1.128108914	1.002168393	0.175329688	-1.299713179	0.665690189	1.1144676	-0.21740107	-0.518831951	1.336040767	0.164860242	-0.337817492	-0.118415824	-0.147366368	0.003240044	0.645803796	-0.273477346	-0.803372744	0.081246142	-0.762832963	-1.488862681	-0.436373013	0.532573256	-0.71853088	-0.838015941	1.43248013	1.048403644	0.557108443	-0.663480498	-0.797281212	-1.637225995	-0.722720394	0.213559502	-0.205569566	-0.997017785	-0.397970437	-0.402941833	0.260837038	-0.897904847	1.512468684	-0.489062742	0.83146215	-0.869564559	0.449585926	-0.092037547	0.795532637	-0.365263133	0.276628131	-0.110374715	-0.020569477	2.350188339	-0.008494407	0.521114816	0.020465377	0.113847694	0.515545214	0.136001335	-1.267462959	1.000953382	-1.516498709	-0.445092237	-1.777589324	-0.216841243	-0.575509407	-1.160376062	-0.819370304	0.598888692	-1.043202319	-0.386727783	0.755443176	-1.230304572	-0.336747407	-0.004112362	-0.900482466	0.246553838	-1.110081226	0.321060009	-2.945634975	-1.825404902	-0.575215735	-0.168031628	0.06527031	-1.495943261	-0.465584168	-1.029942749
DG 40:6; [M+NH4]+@7.17	1.157523961	-1.104667532	1.143645234	0.554683851	0.494203226	-0.597912257	0.801382616	-0.654721644	0.116992935	-0.646335801	0.119128779	0.255548835	-0.437509765	1.016640346	-0.219596827	-2.397762399	0.253463284	1.753162425	-0.352468631	-0.89201384	0.83171796	-0.994172077	-6.741196367	-0.525454257	-0.786954599	-6.925885457	-5.132412205	-6.531267114	-0.356304721	-0.428828808	-1.38181452	-1.11059542	0.761308758	0.196445981	-5.942934342	-13.79929489	0.388115525	-13.81968664	-5.933944983	-0.838201602	-2.337819329	-5.821547443	-6.262085999	0.356489954	-0.205230786	-4.633496997	0.475766443	-1.194511899	0.569259852	-1.05318702	1.167698343	-0.755702143	1.070763593	-1.089438689	-0.060543906	-0.160492626	0.750801908	-0.942574491	0.097303766	-0.165270977	0.377215186	2.169131259	-0.222850405	-0.371418725	-0.179805521	1.184202497	0.422727714	-0.337559886	-0.69553157	0.52065771	-5.950327826	-6.729819733	-4.48594006	-4.982845381	-6.692855514	-0.68618949	-3.848111673	-0.047484402	-1.218602256	-0.486430497	0.160250644	-0.653176732	-5.995156444	-0.050822722	-0.623057429	-6.480246366	-5.463637719	-8.58180406	-1.888915661	-1.9696591	0.166967856	0.031720289	-0.698645728	-7.180102689	-0.563520277	-0.762996093
DG 40:7; [M+NH4]+@6.58	-1.09535581	-2.707659001	-0.769314584	-2.306689615	-0.889684052	-1.983767641	-1.009368155	-1.226557277	-3.067046019	-3.229837068	-3.038694427	-1.329812203	-1.915068862	-1.839665263	-2.353274042	-3.11004645	-2.239490781	0.4207917	-2.19883192	-2.237587655	-1.611722964	-2.689814819	-3.020338881	-2.595155949	-3.039289444	-4.053168413	-2.638238431	-1.564976852	-2.812234522	-2.811001946	-2.672819639	-4.866047258	-1.580405358	-1.6392864	-2.878221453	-3.124066078	-1.05479252	-1.759972273	-2.271143984	-2.279044688	-2.628077158	-3.32689392	-3.084407415	-1.765480477	-2.646877192	-1.859985168	-1.695459077	-2.881223064	-2.067430379	-4.820747801	-1.060324294	-3.067690435	0.240282838	-2.765214908	-1.429187551	-2.416562581	-1.118949756	-2.612816537	-1.699204354	-2.392622115	-1.3548479	-0.312477567	-3.616208048	-1.035155545	-0.822293233	-0.692366838	-2.172349502	-2.946526515	-2.909404029	-2.062089437	-3.385796428	-2.718180323	-5.744382986	-2.905373279	-2.713189209	-2.01608575	-3.074654729	-1.890653337	-3.365970184	-2.735075914	-1.724099325	-3.885486622	-1.561359347	-2.248412434	-3.031700386	-2.585161844	-3.876868567	-2.057522174	-4.745702356	-3.706844409	-1.980249229	-1.678916695	-2.724522512	-4.096262341	-1.930323893	-2.554831739
DG 42:7; [M+NH4]+@7.18	-2.944880967	-3.761506993	-2.653693957	-3.59039651	-4.297406188	-3.150997875	-3.729620387	-2.980759922	-4.113830265	-4.687355574	-3.904378857	-3.109647469	-4.609319641	-4.105428965	-3.96491641	-4.825946612	-5.536563141	-1.479255116	-3.826187706	-2.489751073	-2.036517533	-3.990869524	-3.986480496	-4.746269729	-4.831673095	-2.302799363	-3.288652087	-3.846711208	-3.219941982	-3.783748645	-4.857962886	-6.10625925	-3.85607966	-3.382836801	-3.569263541	-2.568640022	-2.163439495	-3.089983141	-4.053477245	-3.472740519	-4.94923929	-4.587049678	-4.612611512	-3.757950623	-3.768012235	-2.802267008	-2.564934376	-3.037156014	-2.507015856	-4.99202752	-2.618890918	-4.574472855	-1.309508357	-4.091382984	-4.158543196	-3.880883067	-3.038162519	-4.078080149	-2.810038539	-3.582051516	-3.101669699	-2.580504642	-2.277002869	-2.985660436	-1.729029923	-3.288042652	-3.318072584	-3.552497469	-2.840784347	-3.53986696	-3.911399615	-3.818615475	-4.914115485	-4.505128777	-3.129629608	-4.911008801	-3.183977731	-3.026026841	-4.245843454	-4.404868826	-3.320171875	-3.402344628	-3.436493072	-2.470240955	-3.479568712	-4.764485965	-4.212732549	-3.494118505	-3.675846317	-5.995171237	-3.365337076	-2.14427245	-7.473376084	-4.534256509	-2.541382283	-3.332776231
lysoPC 16:0; [M+H]+@2.18	8.331793383	7.612404805	9.593714921	8.093963041	7.059599641	8.17252719	6.658624446	8.732985084	8.821664623	7.402346715	6.101191637	9.239802434	8.044083819	7.901327809	8.259938884	3.625201118	5.177689508	9.528879528	8.520187756	8.833911916	7.800612817	9.560144663	8.711465135	7.087585064	8.016686572	8.953924736	6.28354301	8.835318651	8.807168131	7.819815173	6.690075061	6.915429222	9.348756658	10.08210789	8.643677652	7.863908248	7.114453064	7.745658171	5.771344409	9.385771401	5.185246448	7.326089295	6.319556424	8.036365129	8.925420976	9.508770643	8.715663588	7.521932714	8.412515981	7.992001676	7.410738707	7.980676111	6.816332881	8.824712625	7.402899181	8.231531331	8.12276984	8.579825218	7.742745779	7.683925562	9.223513031	7.931890135	7.105865817	6.335151358	7.150966668	9.034420059	6.03529332	9.17622247	7.122510673	9.29488012	6.724723086	8.201535854	9.251888434	6.85181289	8.450635665	6.19346288	8.594838687	8.179059053	5.731381638	9.297645516	9.002991895	7.28106493	6.714403422	7.454589198	6.79397678	6.426975398	8.711768982	7.778539728	4.647629443	6.168445974	6.915541903	7.868051338	8.870519383	8.432050922	7.155890773	9.273597151
lysoPC 17:0; [M+H]+@2.40	7.79883539	7.516932125	8.315750193	7.915779725	7.884115777	8.329938521	7.217705873	7.897702736	8.17464082	8.258463097	8.675409553	7.169678492	7.073232635	8.421482409	8.835754702	8.214046564	8.386529743	8.171776603	8.605709189	8.396780637	7.692968168	7.910728815	7.753165892	7.687695829	8.145126908	7.298504958	7.660118848	7.800353104	8.397712023	7.420364438	6.957440717	7.854301885	8.356396605	8.760591799	7.524186606	8.284589059	8.12939186	7.715528317	7.494309123	7.820966792	7.350435941	7.306731473	7.245902736	7.151135621	7.240227041	7.697934826	7.619151393	7.360995175	7.815693264	7.371701781	7.073654362	7.295032536	7.227953741	7.729555723	7.101977634	6.581741194	7.63910714	7.510206796	7.201061359	5.890953901	7.439361995	7.293724414	7.591404046	7.230649498	7.60922544	7.870112829	7.289700821	8.253048853	7.551074835	7.801617505	7.109033469	7.167904926	7.223925819	6.6313381	7.203073689	6.997265422	7.162788329	6.548207006	7.375358598	8.338973797	7.671777926	8.416453864	7.037308425	7.851895169	8.128882016	7.803135744	7.261156899	7.339343495	6.746364172	6.146664842	7.07703547	6.958579001	7.319919293	7.176152892	7.066554881	7.081608999
lysoPC 18:0; [M+Na]+@1.835	6.858370622	6.926827384	7.81505773	7.435728133	6.092353768	6.845185769	5.838144083	6.776592952	6.639916502	5.720376424	5.232094689	6.675849467	6.710177099	6.210452686	6.767702775	3.821801698	4.65697502	7.773037944	7.017557504	7.109725785	6.432978127	7.484539035	7.477247271	5.874938824	6.789936211	6.871965319	5.586093753	7.324059917	7.402770531	6.543441722	5.661967863	6.255547165	7.718150771	8.754668221	7.456196077	6.954786147	6.473911522	6.106934145	4.990516777	7.381023266	4.650431275	6.586885355	5.517964748	6.67048726	7.029864154	7.719758258	7.134063037	6.209141641	8.031094746	7.528868996	6.482597112	6.721470261	5.780074678	7.309803114	5.938051046	6.866682167	6.665178656	6.31455467	6.01294144	5.479000695	7.242724757	6.30532615	5.646326231	4.685957865	5.787122144	7.420284951	4.771393639	7.370462732	6.134855768	7.332604866	5.621068267	6.732059602	7.257537624	5.533271366	6.519295083	5.142183931	7.533823912	6.856221492	5.560863135	8.621046883	7.443140622	6.829912045	5.778618029	6.033894958	5.670052629	5.541029156	6.897146526	6.131891643	4.736675734	6.334473027	5.2678135	6.17575909	6.930269804	6.457311465	5.616713952	7.22565115
lysoPC 20:0; [M+H]+@2.67	1.051578364	-0.047965066	1.394334568	1.676888986	-1.197203788	0.279743694	-0.672309932	-0.096720037	0.217047084	-0.594543358	-2.408311196	1.006863988	0.237594792	-0.37815587	0.050774476	-3.236534346	-3.206890972	0.955069365	0.031555339	0.111297106	0.391227123	1.228671857	0.299999567	-1.982080941	0.722443077	0.688314718	-1.021463332	1.332984297	0.855896092	-0.110882563	0.227588115	-0.140053251	1.933220044	2.10886116	0.965702202	0.629309306	-0.281653986	-1.042951618	-2.138772737	1.496772769	-2.668688023	0.381333339	-1.681204956	0.517415783	0.574211388	1.777882093	1.182874303	-0.699859182	1.364229082	0.953244753	1.535188722	1.178685681	-0.332403195	1.266459846	0.414099223	-0.815850757	0.315022778	-0.426718601	0.071585466	-0.232564296	1.032017737	0.269127185	-1.875217144	-2.148113843	-0.830154648	-0.04161661	-1.957679923	0.281692831	-0.475065996	1.301860273	-0.23933351	0.077316684	0.998892647	-0.511833853	0.853447733	-2.074156378	1.31171219	-0.31543936	-1.042655269	2.051284281	1.449292186	0.680373455	0.418017713	-0.873064045	-1.581077258	-1.679405128	0.785201305	0.503303863	-2.271606545	-0.957830624	-1.055683093	0.002220942	0.586503764	0.582298344	-0.396531992	0.090543925
lysoPC 20:2; [M+H]+@1.39	1.789629855	0.445363827	3.448217962	1.965890939	0.373961824	1.454302575	0.422479573	1.53177006	1.56249561	0.282774267	-1.614521783	1.442414679	2.039775181	0.976357279	1.468728246	-5.260842159	-2.119938446	1.053053294	2.294834574	1.807779783	0.587905201	3.53625248	1.702778983	0.745340526	1.598610153	1.623042569	0.434840073	2.995509638	1.176448418	1.955671642	0.189501318	1.15927674	3.384115436	4.253012474	2.763527147	1.375934206	1.57549793	0.987225789	-1.796311162	2.528785703	-0.97773495	0.198790787	-1.333699189	1.459967582	2.643827988	3.429424967	2.515051203	1.35336994	1.06410822	2.284962309	3.033500965	0.99710459	0.869920022	1.904111237	0.391497715	1.11389046	1.680239616	1.462692823	0.866816434	0.370200064	2.869233428	1.176064523	0.630120736	0.080805466	0.739412668	1.889258805	-1.169585037	2.782946142	0.51759889	3.136961874	1.178526801	2.148989122	3.360805326	-1.280024318	1.94345801	-0.406866573	1.332002904	2.571838845	0.708869474	3.948648329	2.502518203	2.191897253	-0.08294066	0.802713066	1.344292109	-0.122907075	2.385902681	1.817347142	-2.054975979	-0.339614111	-0.620771336	1.567144915	2.439215405	1.55486397	1.646884993	1.989684769
lysoPC 22:1; [M+H]+@2.89	-2.418765625	-3.089785696	-1.494946316	-1.983566045	-2.775017747	-2.223295443	-3.080807161	-2.734542726	-2.638971677	-3.198600209	-4.020565239	-0.971083547	-4.334384587	-3.070254072	-4.251313452	-4.187713801	-4.6052459	-1.912445889	-3.998561787	-3.060722182	-3.29813962	-1.050397495	-1.949468641	-5.137732838	-2.994721055	-2.453513531	-3.806883375	-2.119284732	-2.460822704	-3.792144345	-2.874880748	-1.728442109	-0.811125239	-0.72609009	-1.292861419	-2.35058444	-2.619241678	-2.955841421	-4.546635739	-0.840331248	-4.348955067	-1.659421714	-4.722442106	-2.256969661	-2.225454839	-1.513776735	-2.410769032	-2.701523908	-1.664743653	-1.753787832	-2.405111383	-1.855299229	-2.55954262	-1.7159981	-2.170748818	-3.018963201	-3.296414859	-2.19579483	-3.117574497	-3.68715132	-1.982115219	-2.766258028	-4.523378822	-3.804113799	-3.521790294	-2.897201269	-5.853730292	-3.423212229	-3.934528977	-1.250586409	-2.847995734	-2.80151463	-2.004542026	-4.503691376	-3.26241276	-3.764991631	-1.115408074	-2.941132772	-4.322683898	-0.041487845	-2.584627693	-1.889772922	-2.0681684	-3.00615038	-3.345394217	-4.200249658	-2.421520964	-1.660815864	-4.162180273	-3.26460002	-3.587241753	-4.145697424	-2.29537061	-2.307600688	-3.695895757	-1.968487872
lysoPC 22:2; [M+H]+@2.36	-14.05856843	-1.454618168	-1.76186494	-2.250710936	-3.107624495	-2.303015341	-3.850143501	-1.905576326	-2.086240306	-3.168149242	-3.335456758	-2.761351003	-2.257985641	-2.97966956	-2.139197372	-4.164784029	-3.705113389	-2.018640652	-1.947905883	-2.379033465	-3.397632614	-1.712903487	-1.955475022	-3.470986041	-2.838675269	-2.466598167	-3.221028792	-1.81881622	-1.717721047	-3.12818172	-4.396932645	-1.878847736	-1.308685659	-0.9365815	-13.81968664	-1.729325482	-2.341548253	-3.093709935	-3.874989913	-5.407487148	-3.888415998	-2.338388935	-5.741438267	-2.980327105	-2.610512949	-2.326575554	-1.864812081	-2.371552774	-15.10966144	-1.434186158	-1.339331101	-2.878496888	-3.62666048	-2.458163461	-4.680015221	-3.261171363	-3.322116063	-4.181613036	-2.860821991	-3.343715365	-2.656033886	-4.036554324	-2.680623294	-3.700049003	-3.198752507	0.141226119	-3.880045392	-1.399414108	-3.328458702	-1.78371913	-2.557474697	-2.598227715	-1.096643189	-3.34771513	-2.580180198	-4.015071463	-2.64835434	-5.098536701	-3.119967514	-0.34358993	-2.204448224	-1.681616987	-2.880511335	-4.902397519	-2.013816212	-5.534750683	-3.26852014	-2.596671774	-3.392565086	-3.120582632	-4.442192641	-3.235833561	-2.965687025	-2.426628053	-5.025454622	-4.104258584
lysoPC 23:0; [M+H]+@4.35	-4.256324864	-4.997715218	-5.475606975	-6.022614114	-6.722140525	-6.043999489	-5.383820262	-6.454172784	-4.5051683	-5.900998888	-5.823041498	-4.012662921	-5.508255826	-6.053861481	-3.954501685	-7.495887348	-7.166101491	-3.525459123	-4.702414513	-3.859388807	-4.786551096	-4.266613476	-4.846077734	-7.213013269	-6.446147764	-6.184584932	-4.636833635	-3.792170606	-4.894512788	-5.102800789	-5.585599252	-5.961606147	-4.793339804	-5.27561775	-4.875674447	-4.529096062	-5.110026511	-4.841808695	-5.305410485	-4.805338218	-6.60261624	-5.275255784	-5.040123295	-5.997213237	-6.986725324	-4.540636917	-4.894660843	-4.062908189	-4.369449904	-4.918469486	-3.650757333	-4.968286146	-5.222311861	-4.535163204	-3.913850181	-5.89182908	-5.312016156	-5.953442373	-6.753592208	-6.90946121	-5.474766503	-5.445294329	-6.945238111	-7.466822659	-4.684119923	-4.839406372	-6.354098012	-4.88292913	-5.329264716	-3.240835178	-4.797951212	-4.998103494	-6.352680992	-5.699973378	-6.895746912	-5.242523109	-5.895483207	-5.307262717	-7.259463543	-3.661312193	-5.62528594	-4.691885279	-4.215483949	-5.323358627	-5.765708013	-5.674657468	-5.277115093	-6.066805591	-6.349849203	-6.518475766	-4.315374555	-4.922473504	-5.897611304	-5.265286178	-5.577041821	-4.415271624
lysoPC 24:0; [M+H]+@4.75	0.475942337	0.140557964	-0.029469433	0.846878695	-0.967072181	-1.910661728	-0.620883657	-0.358512498	-1.404359843	-2.559097146	-3.489685552	0.105988963	-1.027483079	-13.01575258	-1.823375429	-3.705401941	-13.01575258	0.49238267	-13.01575258	-1.736146877	-13.76378852	-0.706377415	-1.103736998	-3.915377327	-0.246121927	-2.069664296	-2.115970351	-0.404185367	-0.853328282	-1.611952438	-0.901795317	-1.036025491	0.286826239	1.366025783	-1.079032353	-0.652273516	-2.038446011	-1.782119274	-2.784817842	-1.978863059	-2.167950112	-1.72635367	-2.117175873	-0.355837127	-0.827768707	-0.028188335	-1.715390411	-1.61568204	0.345545658	-0.637523671	-0.243352475	0.30473468	-1.616163735	0.112371986	0.11826786	-1.16074334	-0.495103426	-1.736189865	-1.132521514	-1.621897952	0.536944736	-1.055207186	-3.034866887	-2.183837496	-7.317080228	-0.94988257	-14.02664102	-1.000081097	-2.799661828	0.546032418	-2.579621739	-1.267324165	-1.363301834	-2.707407318	-1.008685202	-1.816288616	-1.178544141	-1.258869224	-1.176389977	0.716603799	0.147557021	-14.02664102	-0.957687682	-1.256780522	-13.99823585	-2.116631294	-1.268094263	-2.533031409	-1.48834643	-1.24804397	-0.997954133	-0.814783547	-0.353120041	-1.973943596	-1.725991926	-0.259439443
lysoPC 24:1; [M+H]+@3.79	-2.40419528	-2.075238923	-2.64602739	-2.660324787	-3.864746012	-2.294735989	-3.493583697	-2.897219732	-2.658883843	-3.807724608	-4.373718747	-2.038750664	-2.940256554	-3.758820446	-2.923973789	-5.316390552	-6.114126476	-1.044926985	-2.748491188	-3.551991923	-3.284359256	-1.058701384	-1.71379607	-4.18138546	-2.795231092	-2.392499903	-4.047761297	-2.929198471	-1.783155913	-2.986796639	-3.360719977	-2.938183335	-1.981568403	-1.007018096	-1.263481637	-2.669532106	-3.244525632	-3.770571125	-4.468661053	-2.027086981	-3.795308699	-3.488944814	-3.634446622	-2.852160211	-1.684063392	-3.017462477	-2.59289869	-2.360759052	-1.649969737	-3.186374456	-2.587628788	-2.469009258	-3.551434878	-2.242692726	-3.273451338	-3.702712256	-2.76389999	-2.46179684	-3.581283867	-2.805503365	-1.543068049	-3.900713719	-4.40483148	-3.660471025	-1.867295672	-1.814946837	-5.551609674	-2.494122476	-3.392126352	-1.421184034	-5.034048445	-3.820608536	-1.43653086	-4.2518506	-2.58178858	-4.277826358	-2.303380076	-2.401154595	-5.202448119	-2.013765474	-2.595205736	-3.527929041	-2.548023631	-3.139131726	-5.021863051	-3.902401087	-2.71317574	-3.423363045	-3.706735017	-2.453899353	-3.25169556	-2.506041792	-2.656649661	-2.996117763	-3.753949715	-1.641156082
lysoPC 24:4; [M+H]+@1.97	-2.392612489	-3.667337019	-2.30842024	-3.838276088	-3.01921817	-2.948350869	-3.870008758	-2.984976198	-2.878085711	-4.799588346	-5.184378786	-2.138007036	-4.020116321	-3.298941331	-3.478846299	-5.498395401	-4.557291307	-2.192587668	-3.996313618	-4.108702067	-1.467809437	-1.750499716	-2.775218237	-5.072932359	-2.515684	-3.734202354	-5.044037014	-2.358105161	-2.827894111	-3.896547996	-4.655792062	-2.918634794	-2.424900453	-1.920389443	-1.611198802	-6.407228036	-4.101077108	-4.192585707	-4.308778608	-2.316777418	-4.811802442	-3.334105049	-5.74725188	-3.522075968	-2.676553934	-2.49337005	-3.027267935	-6.218919425	-2.489765629	-2.195028295	-2.184738746	-2.631947259	-4.48758031	-1.813371281	-2.019795575	-3.287065842	-2.535166431	-3.839317921	-2.351172763	-4.41197252	-3.802403877	-3.265625798	-4.161611469	-4.204754461	-3.559100925	-3.411285525	-4.683372751	-2.991118146	-3.559154127	-2.78789909	-3.457309364	-3.576294685	-1.327474148	-4.092631783	-4.825332394	-6.182561739	-3.616629135	-7.382983175	-4.970347559	-0.524227089	-2.236289862	-2.551507004	-3.023686515	-4.211239931	-4.185979814	-3.583578443	-3.197753737	-4.48903444	-6.094148356	-2.913609165	-7.274639115	-3.914239763	-2.755761351	-4.408754208	-5.35762555	-2.953640225
lysoPE 20:0; [M+H]+@2.51	2.223023355	1.472761605	2.82447639	3.123112472	1.202700687	2.226283888	0.769747244	1.382573585	1.452691031	0.782411161	0.313982708	2.775437975	0.888941966	1.022765762	1.45441679	0.703782165	-1.432304512	3.153064278	1.661680544	1.330451764	1.275325014	2.190847392	7.753165892	7.687695829	2.581825428	7.298504958	7.660118848	7.800353104	8.397712023	7.420364438	1.583167662	1.845214964	3.761542616	3.965058398	7.524186606	8.284589059	1.662116141	7.715528317	7.494309123	7.820966792	7.350435941	7.306731473	7.245902736	1.593552562	1.916143039	7.697934826	7.619151393	7.360995175	2.202438395	3.132265569	2.785918239	2.411924846	0.815105267	2.921316912	1.550027478	1.34258022	1.499115303	1.977613851	2.451280188	1.274014195	2.079943621	2.273095488	0.852622693	0.976412993	1.239278112	2.455370595	0.909579158	2.080345946	1.484796209	3.014131911	7.109033469	7.167904926	7.223925819	6.6313381	7.203073689	6.997265422	7.162788329	6.548207006	0.492147701	3.69197091	2.823462232	2.754963562	7.037308425	7.851895169	0.799932909	7.803135744	7.261156899	7.339343495	6.746364172	6.146664842	7.07703547	1.662196251	1.779632843	7.176152892	7.066554881	7.081608999
lysoPE 22:1; [M+H]+@2.55	-0.264890811	-0.502975947	1.011945813	0.666930485	-1.741540815	-0.170104512	-0.300843383	-1.407852693	-2.345844665	-2.560401957	-4.379881428	1.024416528	-1.352694815	-1.442227507	-2.003344388	-4.594709516	-4.178256052	1.309897926	-1.35273009	-0.93700221	-1.225599429	1.182382857	1.188148656	-3.424452082	0.402861602	-1.211539379	-1.887213444	0.448334476	1.420968885	-0.445658684	-0.611134637	0.562703501	1.553271018	2.250147023	2.05469621	-0.134631802	-0.424568076	-0.782755845	-2.011672033	0.209045095	-3.724621597	0.551377268	-2.785149585	-0.558974648	0.044152428	-0.576075327	0.942606772	-0.930430868	-0.777232504	1.638646389	1.078421185	0.097615959	-0.162430691	0.785990816	0.212550506	0.8533565	-0.541952768	-0.414473898	0.147153109	-0.989809143	-0.697165979	0.436746714	-1.604399889	-0.788631484	0.610864631	0.78951169	-2.696785645	0.155092446	-1.349339819	1.763519095	0.543387594	-0.66025519	1.37676111	-1.338367595	-1.498530865	-1.528782536	1.682626457	0.104871696	-1.658004107	2.371523241	0.799214859	1.026141086	0.809705901	0.40547065	-1.216556185	-3.026815995	0.7200315	-0.09727756	-2.728315812	1.033428551	0.592702305	-0.443543546	-0.651166885	-1.438445729	-0.318065123	0.103095743
PC 16:1; [M+H]+@1.11	0.252118645	-1.085093477	0.630615536	-0.037088397	0.284939322	-1.039039862	-1.437507906	0.676138905	-1.33125319	-1.723280881	-2.080492242	-2.204103988	-1.29850398	0.055839045	-0.917860636	-1.299961204	-0.864848146	-0.305739141	0.782814281	1.38336204	0.00017806	-0.307774957	0.667030777	-0.613617543	-1.455567747	-2.384911163	-4.341191777	-1.593715801	0.410328874	-0.829001066	-1.114466727	0.274295872	-2.15945565	1.07277191	-0.671978221	-2.787614196	0.33516845	-0.366279891	-1.187379491	0.320283964	0.30961361	-1.280781524	-0.642997183	-2.096630844	-0.252886901	-2.516453186	-2.44112504	-0.980938089	0.783295371	-0.405944352	-2.211258544	0.077621161	-0.028958104	0.357647659	-0.135872582	-0.707583138	-0.513160759	-1.21414836	-2.826949358	-1.915373827	-0.017560895	0.087952653	-2.171071203	-2.964581256	-0.868797287	-0.991489833	-0.104362365	0.187256422	-0.790859977	-0.314886026	-0.862349202	0.48684978	0.639549394	-2.096413696	-2.139897635	-2.906374385	0.241196869	0.357011636	-2.103229139	0.322723209	-2.83858243	0.887327638	0.13573104	-1.322810214	0.691604884	0.102491926	0.705799964	0.807949047	-0.330328775	-1.121542414	-0.177170318	-0.867889198	-1.141530434	-1.886349513	-2.777977005	-0.035125257
PC 17:1; [M+H]+@1.84	-1.254056966	-1.851931353	-0.955433804	-0.718084767	-3.257450989	-1.77518207	-3.217754879	-1.979642989	-1.632691964	-2.543486313	-4.063346858	-1.528423141	-1.279584799	-2.320817708	-2.482368973	-3.970491109	-4.842421968	-0.054262113	-1.593648606	-0.740760793	-2.312281071	-1.023369537	-1.182407712	-2.745676751	-1.897912758	-1.525006752	-3.455598081	-0.708746953	-0.016669865	-1.672569439	-3.427228507	-2.386825295	-0.756592234	0.108383128	-0.645329522	-0.759817353	-2.947790156	-2.526181387	-4.014115298	-1.558946101	-5.471038168	-1.611187774	-3.817492869	-2.253225497	-1.928366699	-0.669250433	-0.954128345	-1.731339634	-2.107993787	-1.208443145	-2.177835477	-2.624816882	-2.878065823	-0.961599384	-2.599701964	-1.083615087	-2.075775946	-2.17896721	-2.912867752	-3.549683171	-1.515156017	-2.911530503	-3.53992484	-5.468450182	-2.708480674	-0.529779047	-4.619530785	-0.572429052	-3.059418985	-1.007340521	-2.779661213	-1.11783189	-1.060124182	-3.672962784	-2.424778981	-4.595932419	-0.864984367	-1.001942038	-3.320759577	-0.577318262	-1.380346435	-0.980050956	-2.834880097	-1.728234462	-1.776853583	-4.981401567	-1.111092766	-2.783633943	-3.800062462	-1.765243914	-3.270025681	-2.323179527	-2.163527297	-2.321128321	-2.818491065	-1.311852908
PC 23:0; [M+H]+@2.84	-4.141002163	-6.631692918	-3.721199792	-5.030488581	-6.513982593	-4.485337426	-5.914363573	-6.356590826	-3.811433693	-3.977322241	-4.123405512	-4.994714796	-6.245968922	-3.946440062	-4.304516905	-4.110377759	-5.962390591	-5.201197593	-4.923571418	-4.703816575	-5.81323651	-5.68715385	-4.531366136	-5.308168689	-6.333491115	-5.215509476	-4.500911879	-5.643089635	-5.729675357	-4.75092637	-5.942835152	-4.890078418	-4.04863227	-4.885025278	-6.117022229	-4.96485142	-4.413957314	-5.265447233	-6.193237829	-4.879616253	-4.389472197	-5.249121761	-4.887755023	-6.833199734	-6.736746888	-4.875751202	-4.98230041	-4.973229864	-2.467949656	-5.757008295	-6.733546196	-7.096010621	-6.117777663	-4.556992568	-5.420669805	-6.865406513	-4.14282961	-4.365083889	-3.944542594	-5.58073869	-4.253140773	-3.513682305	-4.664321685	-5.868974	-6.00823621	-3.000986076	-6.799412893	-4.374084655	-4.908114953	-5.617550646	-6.260442659	-4.953632618	-4.744377667	-3.757123711	-5.70430443	-4.91222441	-5.147915225	-4.494680841	-6.278428563	-3.93485215	-5.008755787	-3.945904449	-5.622370125	-4.721377236	-4.808960028	-2.345853013	-5.525852936	-5.418495941	-4.925709089	-5.217607408	-4.798426403	-5.748744075	-4.627982935	-5.013124244	-6.217988589	-4.013933236
PC 28:0; [M+H]+@4.73	3.890744567	-0.136604401	2.735089659	2.828629714	1.566263852	1.151135392	1.273713178	2.038988491	0.578645166	-0.314916634	0.520040927	3.713004743	1.650824747	-0.025057785	0.774874884	-1.313828555	-0.254541594	0.654790232	-1.067414089	2.202538474	0.74634182	1.111122795	1.554229001	-0.381761338	1.273262126	0.177378898	1.051720667	0.423583544	0.835869365	1.011189942	2.610740878	-0.499096964	1.957822641	1.860016201	1.267439007	1.235045794	2.377788281	0.533831501	-0.009060847	1.390786492	-0.450002951	0.915867724	1.775385707	1.49336828	1.339789782	1.364561905	0.872719093	1.379773748	3.769357074	1.016173689	3.477419495	3.056809355	2.769168385	2.972355339	4.208099176	1.582909351	2.099014835	1.456254344	1.135042088	1.979869003	3.188700097	3.296400622	-1.051372302	1.196309584	0.440983439	1.11047581	1.53077073	1.970544589	-0.994299137	2.992931745	-0.763370594	2.450163836	0.139753092	0.956351152	0.421884946	1.356729082	1.483039244	1.922114119	-0.436444856	2.784493727	1.681838831	2.078389318	0.732663056	2.980295621	1.38019959	-0.392844828	1.301787298	2.906451382	3.022200758	2.927245582	1.996137266	2.581558987	2.421240409	1.536418205	-0.169095068	2.135286458
PC 32:0; [M+Na]+@6.4075	8.162686637	8.342301849	8.410309012	8.55887281	8.499710332	8.041316118	9.035910887	8.925437816	8.452508651	7.312231628	9.28577912	7.900156656	8.56639401	8.27885177	8.873571167	8.055237467	2.32692695	8.567962376	8.2782657	7.595026618	8.882085396	7.807246293	9.180204058	8.060174221	8.528192173	8.576080979	9.103679049	8.976499661	8.404589081	8.8526717	7.157012452	6.356120025	9.165131785	9.312178419	8.722250827	8.93447682	9.212288619	8.8726919	8.780246483	8.592721084	9.245684792	8.326084822	8.65175555	8.352288361	8.453025936	8.707168764	9.143546961	8.838539492	7.228718558	7.16005547	7.502749402	6.796637342	6.867643408	7.929166706	7.961613832	7.373341303	8.294212603	7.67439807	8.011561131	7.095869856	8.914517879	8.233853023	7.881191813	7.464126054	7.372701544	7.839307202	7.144388275	8.522081758	8.070358779	8.259661603	7.571145797	8.037662063	8.698630015	8.024600417	8.340325346	7.774845187	8.031426603	8.181102724	8.677593674	8.449315677	8.886970487	7.310828302	8.547723172	7.945488415	7.273305734	8.779394321	8.058705506	8.516649039	7.74642624	8.247327213	8.487816596	8.411526735	8.253523163	8.463517391	8.100909767	7.951585176
PC 32:1; [M+Na]+@5.54	-0.252346942	-14.05856843	0.391543848	-0.520968856	0.924813485	-1.212382809	-0.439044751	0.373516255	2.007722349	-0.299573448	1.227848296	0.762494638	-14.24915584	3.091848629	1.794307862	0.847561745	3.309419076	-1.212609648	2.862440509	-0.126584105	0.235022959	-0.573478696	1.131495992	0.701388296	-13.76378852	0.812876984	1.087201923	1.981389316	1.677700694	1.132888086	-0.327743859	2.376778882	1.930225313	0.871718009	0.937464999	1.583390134	0.255832397	1.314179077	1.315710623	2.08557416	0.695744545	2.218494807	1.239002703	1.67584498	1.923391184	1.541674985	2.070826876	1.961043966	-1.090950521	-0.951962703	0.16841248	-0.358099566	-0.161207813	-0.048242001	0.714705033	-0.547734008	1.69458243	1.012300934	1.773929924	0.78355581	0.655621826	1.099863212	0.698315333	1.460264478	-0.050465875	-0.086650981	3.411411015	-13.99823585	-1.085172185	1.216957176	1.601807767	2.231199422	0.912890287	0.490598826	0.580780374	2.138899236	1.875399015	1.846920134	-0.583818597	0.032971215	1.759588533	1.140256099	2.099468951	1.498484365	3.171939794	1.404761742	1.029074484	1.486357966	1.326835062	2.716302901	1.538876978	1.974037649	1.680535434	1.036847416	-0.097605224	0.92229494
PC 32:3; [M+H]+@4.58	0.192412967	-1.598673641	-2.77262778	-14.05856843	-0.634133042	-1.245600193	-0.519294688	-0.044336609	-1.937077298	-1.21155963	-0.201410425	-0.454665482	-14.24915584	-1.950158599	-0.629362366	-1.922745446	-2.294427768	-4.922194965	-1.957619468	-0.638154612	-13.76378852	-13.76378852	1.055918626	-13.81968664	-1.861519794	-3.363581708	-13.79929489	-13.79929489	-0.996274845	-13.77040964	-1.633033148	-2.12511971	0.144443778	-0.816689485	-13.81968664	0.952225721	-0.566556952	-1.116518896	-13.81968664	-0.236367064	-13.77040964	-13.77040964	0.469583435	-1.035794541	-1.183623321	-13.79929489	-2.123608306	-2.011240812	0.125152326	-1.64660247	0.061726592	0.270724417	0.601172588	-0.831962533	1.138844482	0.601783084	0.073740738	-2.046722874	-1.046115485	-0.842244115	-0.961204991	0.281129125	-2.478244084	-0.769241957	-2.082338704	-2.11802523	-1.796973207	-1.143865289	-1.043771686	-1.037795471	-14.18227811	0.507978422	-0.80744151	-14.33962535	-1.725894194	-14.33962535	-13.94811623	-1.255058316	0.1260382	-3.262252065	0.904986965	-2.047496874	-3.246125172	-1.641212353	-13.99823585	-0.947265041	-14.18227811	0.328362408	-0.282781741	-2.185875102	-0.344818418	-1.315836708	-1.881637913	-14.33962535	-14.33962535	-0.74459249
PC 33:1; [M+H]+@7.90	-0.500790092	-1.829223222	-0.624071234	-2.270614258	-1.136297538	-1.342298257	-1.645513893	-1.681272702	-0.724728633	-1.829047746	-1.86697391	-0.789408263	-1.640639059	-1.961346921	-2.899136125	-2.470927664	-3.89384519	0.090711003	-0.266528276	-0.991992083	-1.731146205	-1.356592804	-1.443885764	-1.605339375	-1.807058951	-2.662345891	-3.387060553	-0.970269885	-2.36879249	-3.378577979	-0.697036649	-2.309499591	-0.731762403	-0.239827817	-1.458960104	-1.487550416	-1.514533046	-2.189573459	-2.918416809	-1.849028756	-1.124812887	-1.301633484	-2.970573077	-1.910325959	-0.140985372	-0.72786149	-1.32984233	-2.623240661	-1.611270813	-2.825990964	-2.156298954	-1.183151404	-15.10966144	-0.544737267	-1.259617191	-2.293074008	-1.119539226	-0.582409721	-0.78052543	-1.848927003	-0.846890756	0.157973804	-2.546440001	-2.884153819	-0.964213507	-0.158115069	-1.982581948	-0.730303239	-1.463198158	0.020951079	-4.321026398	-1.43788101	-2.816864418	-2.766212694	-1.977847319	-1.99118429	-1.784672422	-1.207273761	-2.279173631	-0.754471144	-0.747419588	-0.76452679	-1.611666168	-1.653519376	-3.103657689	-3.304573522	-2.158511726	-2.473535417	-0.936277561	-0.434380038	-1.626231806	-0.590559582	-1.820910187	-2.217581958	-2.604827868	-1.33652269
PC 33:3; [M+H]+@5.06	0.171132509	-0.71771431	-0.107250053	-0.401438126	-0.594485923	-0.758749896	-0.395479919	-0.291082019	-1.133627907	-0.990872352	-0.503618435	-0.108233837	-0.24352065	-0.082673778	0.003690027	-2.507374218	-1.237052373	0.580747494	-0.007685607	1.064686769	0.494359058	0.704638185	0.286080204	-0.441327775	0.40058549	-0.613483868	0.242442637	0.434756425	0.821996841	-0.341721445	-0.390294395	-0.060261644	0.739802756	0.668890681	-0.348817359	1.517385002	0.649477511	-0.229157285	-0.869917175	-0.381392808	-0.244275841	0.180801047	0.226977342	-0.654878186	-0.589145052	0.782095272	0.67021419	0.482016274	-0.343994013	-0.809278905	0.384089109	-0.743935497	0.141443159	-0.251252409	-0.5539596	-1.673094903	-0.138135896	-0.985750119	-0.439065603	-1.165797748	0.212992672	-14.02664102	-0.888292733	-0.261657472	0.027048741	-0.398127383	-0.074898963	0.342753765	-0.315615297	0.708891753	-0.967520415	-1.095565399	-0.496288444	-1.664693504	-0.309041749	-0.457396065	-0.419961903	0.240369632	-0.85544257	0.729369588	0.233372393	0.332121101	-0.209844115	0.629871859	-0.181254393	-1.185874676	-0.28715816	-0.350467976	0.324015111	0.112120588	0.179803107	0.338754847	-0.634910562	-0.378103743	0.556996229	0.114740421
PC 34:1; [M+Na]+@7.78	1.96590337	0.870096029	0.943654916	1.237380988	1.276854961	1.577215586	0.64724659	1.359530962	1.382393579	1.112582735	1.857123712	1.457832811	1.591568515	0.244986114	1.317707363	0.669964632	1.017681963	1.777674228	2.592307433	1.066963164	1.728659932	0.00163296	4.273848943	-13.81968664	0.90986786	-13.79929489	4.202583638	-13.79929489	4.185701001	-13.77040964	0.408499387	-0.076507741	1.952052365	1.364195639	3.97318309	4.303901769	1.767463295	3.749171572	-13.81968664	-13.81968664	3.702051289	-13.77040964	4.328280302	0.588300633	1.040694123	4.317078786	-13.79929489	4.799216923	1.028573733	-0.986398395	0.721318881	1.846256836	0.389996876	1.372586704	0.834452207	1.989114142	2.394540432	1.952372482	1.853884079	1.377426983	1.389788888	0.650546098	-13.92077364	-1.102231374	0.861188435	0.826315571	1.399156022	2.135870886	0.554675574	1.762730425	3.573543275	4.52964491	3.841363831	4.338883805	-14.33962535	3.347911041	-13.94811623	-13.94811623	-0.292427846	1.566759059	1.124677676	0.756320716	-14.18227811	-14.33962535	0.561574551	-14.18227811	3.512465005	-14.18227811	4.135141662	3.61149655	-13.94811623	0.857754349	1.438433226	3.965575433	2.298493521	3.92638761
PC 34:1; [M+Na]+@8.75	1.221885396	0.032192917	1.991584206	-0.439498641	1.003075734	1.151745423	0.114695978	1.08036956	0.164268723	0.503347549	1.378842316	0.941603746	0.491759493	0.374111182	0.023696542	-0.626110783	-0.215007586	0.775193634	1.191571719	0.524711102	1.198234609	1.062385401	0.56005163	-1.050853605	1.608867601	-0.49430984	-1.285830679	0.618708157	0.711209688	-0.251313231	0.435135584	-0.295859767	2.051640756	1.402766134	1.000867675	-0.561718838	0.726224563	-0.166375753	-0.232299402	0.553428449	1.331689449	0.661432343	0.220289277	-0.319542061	0.770622236	1.464900454	1.402812978	0.095422362	1.15951018	-0.316594079	-0.000939022	0.566242904	-0.100200655	1.197945491	0.995841838	-2.671700391	2.004558913	-0.297890339	0.703723937	0.303247187	1.716964733	-0.015808687	-1.54296624	-0.633383005	-1.426427387	-0.779439803	0.30597836	1.179106256	0.554762511	1.020778315	-0.312776788	-0.017697183	0.543036852	-0.219540823	-1.762383977	-0.351482165	0.173598534	0.691620108	-0.092570455	0.57419676	0.87218244	0.89997667	0.1316386	1.927285007	-0.758770512	-0.754863067	0.129407807	1.22799548	0.175286712	1.261373017	0.832910109	-0.152437929	-0.24882737	-0.065872144	0.308548442	0.021497666
PC 34:2; [M+H]+@5.75	10.52144303	9.303046261	10.72431711	10.29888979	9.606455944	9.391233128	10.42177419	10.36484469	9.593621342	9.196258382	8.908172579	9.864240977	9.896198747	9.582671845	10.15389746	7.73994371	7.847111694	9.568493155	9.949271235	11.5116487	9.90778058	10.13548606	10.9312315	9.804959406	10.14079511	10.22287452	10.30800505	10.89544106	10.96029145	10.69040249	9.074472433	8.362565951	10.82367707	11.37412856	10.18218912	10.8148501	10.6528916	10.01363774	9.379871833	11.0508584	9.163232224	9.064398437	10.36988891	9.776757383	10.64294361	11.2795769	10.5375232	11.02429678	9.645929772	9.636708991	9.921944752	9.686265266	9.83454825	9.791930456	10.44597403	9.796916092	10.42838183	10.19901964	10.13345551	9.023815365	10.8611493	10.86334838	9.472576274	8.997077533	9.410856104	8.865580562	10.03794803	11.12555871	9.497362693	10.86923751	9.903227939	10.92488458	10.75403108	9.923333123	10.18498225	9.656528183	9.007768696	11.22054451	10.23138117	10.88242252	10.99629767	9.54619394	9.153522374	10.5379428	8.806603884	9.746240057	10.60844097	10.84961417	10.02288564	9.909483512	10.03624265	9.892871171	10.78640785	10.50654258	11.24368665	11.02406594
PC 34:2; [M+H]+@5.995	4.490358622	3.737046031	4.739911783	4.339724806	3.823654471	3.742275694	4.386761393	4.273522761	4.638224429	4.390730711	3.885096732	4.181049557	4.321614167	4.904799221	4.569224164	3.148301772	3.442202304	3.960878413	4.226281659	5.283389586	4.264800978	4.281853326	4.54296978	4.124975697	4.129871858	4.502642418	4.642502036	4.976532001	4.931555421	4.713967931	3.657181753	3.60632488	4.977541571	4.91905025	4.607699786	4.40774641	4.691550188	4.003209374	4.162832642	4.537815146	3.962572199	3.980439751	4.923067758	4.098535563	4.525638444	4.30813353	4.528997238	4.701423922	3.98507047	4.055225582	4.533431467	3.549230097	4.248976976	3.930019122	4.301367731	4.302116476	4.661480223	4.515708085	4.13407899	4.256992406	4.591787114	5.371496459	4.043700578	3.777926257	4.264441544	3.565945347	4.665580132	5.130786799	3.998054311	4.365294578	4.177861858	4.357229315	4.691060215	4.448751318	4.470254063	4.23654045	3.430249193	4.780052963	3.995747585	4.745923457	4.90664659	3.897962593	3.80976083	4.732380012	4.08567981	3.743772958	4.857484263	4.45028659	3.930781605	4.2638528	4.079640232	4.090435147	4.512534644	4.408216061	4.359384553	4.499268744
PC 34:4; [M+H]+@4.67	-14.05856843	-5.166262428	-4.835601635	-4.880979226	-4.786314532	1.468395076	-5.033173222	-4.381594913	-4.569808458	-0.00131056	1.561884048	3.567779335	2.777226705	-5.67644116	-4.37312551	0.382833376	-3.416388942	-3.369047471	-3.468847052	-4.366176922	-3.838253776	-5.034176183	2.997934654	2.537151519	-6.51154279	3.180713712	2.707841776	2.954830341	3.555627719	2.905169817	1.487576504	-1.521761002	-4.32228001	-3.934566034	3.477098077	4.219190937	-13.76378852	3.106906056	2.299147103	2.026501873	3.220993103	3.169368985	3.38385083	-2.020701977	2.547293119	3.561252997	3.803888979	3.418907144	-3.102839121	-6.504448608	4.117810953	3.480684263	3.755932649	2.833638126	-14.07596279	3.109496085	2.839070908	1.467653775	-13.92077364	2.072642671	3.18714537	-14.02664102	0.466810313	0.833946344	-6.255616616	-2.037524348	-2.998103861	-3.903345477	-13.99823585	-4.27958651	2.280684625	2.985500877	3.001353982	3.292233808	2.861606584	2.895763187	3.399665366	3.032785295	-1.591916323	-5.837538534	4.161150317	-3.11444489	2.855860857	3.317054947	-3.370859034	3.361384877	3.170557684	3.753610045	2.900857002	3.99303999	3.283280928	-14.07596279	2.067372198	2.743411735	3.368971671	3.492542756
PC 34:4; [M+Na]+@5.06	-0.834567389	-1.581324104	-0.963915114	-1.97429978	-1.400164364	-1.436414302	-2.230428897	-1.946139078	-1.009329581	-1.720997625	-0.40554417	-0.417961688	-1.106179311	-0.565230232	-1.158493818	-1.497212066	-1.654571392	-0.324168069	-1.971570223	-1.198264481	-0.695716	-0.735356583	-0.746986489	-1.555285147	-0.180841128	-1.342980817	-0.889505324	-1.707015377	-0.948684925	-1.48102658	-1.418209278	-1.689219836	0.01764444	-0.296341529	-1.607820831	-1.867171424	-0.08797798	-1.821367692	-1.108262006	-1.511786062	-0.944625415	-0.763951307	-0.816305263	-1.743268471	-1.782827963	-1.016734623	-1.731482096	-0.610816171	-2.031244848	-2.012686185	-1.034724598	-2.357430619	-1.619119099	-0.596468909	-0.592279454	-3.137647505	-0.982259789	-1.338092997	-0.749318141	-0.723196656	-1.82916326	-0.327940124	-2.364394645	-1.636062461	-0.1109641	-0.219041654	-1.371737102	-0.461846588	-2.192395883	-1.000400726	-1.77512657	-2.346091605	-1.841662342	-2.247557453	-1.930940209	-1.295929287	-1.561981752	-1.421327745	-0.877700878	-0.944834865	-1.541108994	-1.048939691	-2.233371596	-1.381400393	-1.65837588	-0.726895777	-1.319692158	-1.046238876	-1.307247546	-1.090369522	-1.836228588	-1.325380895	-1.233545896	-1.226018962	-1.878463046	-1.27340125
PC 35:0; [M+H]+@7.61	1.965141954	0.271093524	2.320182129	1.168232926	0.268457376	1.292626479	1.33468904	0.816377816	0.686309492	0.242321489	-0.281602086	0.849412754	0.552567527	0.54570284	1.525424415	-0.568669395	0.000844511	1.710379819	0.953508653	0.654900186	-0.296327703	1.543125399	-0.763347526	-3.767580789	0.651943725	-1.416456466	-0.440676803	-0.775624536	1.040341226	-1.427706068	2.179915167	0.05697705	-0.806385995	2.318000022	-1.965086531	-0.879385683	1.502726345	-1.189174499	-2.486578456	-1.356060273	-2.636475146	-5.235806974	-2.477236759	1.284373823	1.77645168	-0.440194025	-1.224949783	-1.172777699	2.633872932	0.798349607	1.105389989	0.870962847	1.489207963	0.228739764	1.217909955	0.309291415	1.65730046	-0.029290431	0.985032848	0.402991679	0.932405862	0.416287705	-0.011169061	0.110966272	2.264050511	1.177705682	0.633707158	0.931819768	0.242220632	3.13237406	-0.829123295	-1.21128637	-1.115035584	-14.33962535	-2.034138842	-0.935509147	-3.140210786	-0.950841185	0.458989708	1.418856158	0.463826989	1.277339637	-2.077959017	0.133934823	-0.439798258	-1.23718405	-4.634465189	-14.18227811	0.137419309	-0.329252847	-2.656195405	0.989620437	1.604625038	-0.358913571	-0.488422836	-1.703941452
PC 35:2; [M+H]+@7.95	-3.52167133	-2.424930821	-1.76379928	-2.503969957	-2.82213515	-2.802728458	-2.359121937	-2.944421693	-2.645440233	-3.078251355	-3.734135951	-1.904211332	-4.742888951	-2.035478133	-2.55948747	-4.32407969	-5.377085707	-3.715508911	-1.401054896	-2.153954518	-3.445546823	-1.791084453	-2.944609111	-6.492514622	-2.279853052	-4.564272144	-3.644959667	-2.676611379	-1.740493143	-4.024529926	-2.718511899	-3.101239268	-1.490117944	-0.683310515	-3.930157967	-3.140104525	-2.42694496	-3.67697294	-3.754562292	-2.661003265	-4.020686745	-2.24593125	-3.147825452	-2.875421834	-1.383444449	-3.062434562	-2.387952111	-2.159474228	-3.038156546	-2.399873154	-1.01654104	-6.876981283	-3.02952291	-2.327163137	-2.051690825	-3.657751627	-4.607027549	-2.793771646	-2.466555423	-4.633280325	-1.217477965	-2.780195971	-2.165688323	-2.650968657	-1.972878895	-1.772179069	-2.683673046	-1.536940551	-2.813955345	-0.102646019	-3.854099613	-1.841425791	-2.657237673	-2.744288742	-3.167997181	-3.508430502	-2.966471768	-2.198872863	-2.20463416	-1.787397997	-3.767246052	-1.241813207	-3.98537905	-2.643146573	-2.232400168	-3.905223526	-4.061183419	-1.849695627	-4.235128607	-3.980427956	-1.62547534	-3.108594012	-3.059791829	-3.233307882	-2.980188182	-3.116663402
PC 36:1; [M+H]+@7.00	8.706403601	7.93595917	9.204755072	8.772792276	8.024329068	7.925441637	7.585137231	8.596203143	7.854033056	7.467384845	6.849899591	7.95759553	7.849327257	3.904544892	8.028143947	7.076881216	3.360875572	8.509678622	6.98855434	6.867189817	4.949368661	8.139216828	7.646458813	7.214275482	4.797715768	7.437422568	6.945036875	7.744660508	8.125968437	7.781775993	8.398085265	3.691893146	9.071693473	9.102348901	8.079792622	7.490862419	8.037842838	7.100651516	7.408210172	8.230926963	7.536899892	7.823031712	7.919938233	7.786768106	7.929796493	8.363580969	7.951557759	7.819032505	8.973941916	7.544827675	8.33863433	7.943519968	8.57665123	7.706204128	7.478993755	8.325805863	7.550667759	8.240718965	8.198198286	7.049774662	8.582152495	8.196051129	7.018848525	7.231256081	3.945944116	4.310072213	4.079645858	8.290791081	4.451354899	8.807723903	6.200319178	8.427004538	7.871960337	7.235271499	6.869048082	6.365573667	8.288497293	8.881583342	7.412425977	8.480296837	8.565080062	9.179446101	7.243295911	7.792262862	3.701548176	6.349753239	7.781866821	8.172751449	8.321351535	8.502379638	7.518399881	7.840779332	8.022409494	7.303700126	7.994664657	7.67436236
PC 36:2; [M+Na]+@6.435	9.020328709	8.426127509	9.568564223	9.059677253	8.673077208	8.389325095	8.791120872	9.212431449	7.59671752	8.364572392	7.657022881	7.939878949	8.719414995	7.212093978	8.941053615	6.856867714	1.712297841	8.91612984	4.432652275	9.0548805	4.609403631	8.867750275	8.793721889	8.432808467	4.55546059	8.397076419	8.829251725	8.654832581	8.977441009	9.077536633	8.210211597	2.978243511	9.5976969	9.869641654	8.825315915	8.870165451	9.017521079	8.39143903	8.144483266	9.16305533	7.963010372	7.344228071	8.576577687	8.444184988	8.820642003	9.349435141	8.938549807	8.998287518	8.450146475	8.004635643	8.715483176	8.135830246	8.78896955	8.322287802	8.689756867	7.496578472	8.779536272	8.219134978	8.605379599	7.729460019	9.502039978	8.841142898	8.111526755	7.944175301	7.270212458	8.255928024	3.901418717	9.239186981	3.929304423	9.46337358	7.740272218	8.951079543	8.93431861	7.8218993	8.25395354	8.080725014	7.710675872	9.706020704	8.702996116	9.199618124	9.413307255	8.674192337	8.102632019	8.664203517	3.114990345	7.532882356	8.703386789	9.069862987	8.413483195	8.487724912	7.968897033	8.357895143	8.917687511	8.509383878	9.254416238	8.74361549
PC 36:3; [M+H]+@6.12	8.792136049	7.872553641	9.0941734	8.818977405	7.96461763	7.908721541	8.108205009	8.603857328	8.182441986	7.990742842	7.584922953	8.34203576	8.004743228	0.820751564	8.602883778	6.171891858	5.513342351	8.440711777	7.342444151	9.214163931	8.031369543	8.804030666	9.200124131	8.094563662	8.540372569	8.628440995	8.60591172	9.134121648	9.106384144	8.828606373	7.485094129	2.937392484	9.941966938	9.819920573	8.930646389	9.159468212	8.648593017	8.474073445	8.238655115	9.538720283	7.971852094	8.60935248	8.789797996	8.392085463	8.932330257	9.549500018	9.247682107	9.245877739	7.644385395	7.602510011	8.347632199	7.80583905	8.475998373	8.170308339	8.726778194	8.038045551	9.177873038	8.575783697	8.735269808	6.673561276	9.014609288	8.93760592	7.69138843	7.706056068	4.953751652	7.632167416	7.829747902	9.26972871	7.730636593	8.801498098	8.133571026	9.03265906	8.914038115	8.327822422	8.551977072	8.115049435	8.145531754	9.487003732	8.335946254	9.080818281	9.601390261	8.546001565	8.205308324	8.989886996	4.011301698	8.495494628	9.356883907	9.518742061	8.317893142	8.687812456	8.234851201	8.661917727	8.810388363	8.697872722	9.57719823	8.967306091
PC 36:3; [M+H]+@7.06	2.620110087	3.000366199	3.585240866	3.874984165	3.895640287	3.85712775	3.79546713	3.951985344	3.873833501	4.916579228	4.676191229	1.874469978	3.482106875	4.022894201	4.969877526	5.143579885	5.13686941	3.878506914	4.854323499	4.202874815	3.000935796	3.901171191	3.364630469	3.979671876	4.420378335	3.942778259	3.516498201	2.689252916	4.221520412	3.21286409	2.981933977	3.597175935	3.741234871	3.043731401	3.291848678	3.568008292	3.677005136	3.10860093	3.989896165	3.300319695	4.017488425	2.961289012	2.638052728	2.996756434	2.435402518	2.802104943	3.080731892	3.731068974	1.431968827	2.756831773	2.352150396	1.498504156	1.858197312	2.414374497	3.372507412	1.746953009	3.435709661	2.441261942	2.742321074	2.535577401	3.410063133	3.481191974	3.475556713	3.318896177	2.171393982	3.009862596	3.041370514	3.374051692	3.799472247	3.670241051	3.517092225	2.001512417	2.299751664	3.066878198	3.462612236	2.777632121	2.734171328	1.320496536	2.983207334	2.423367814	3.183934752	2.230734579	2.227972248	2.999995642	4.336267537	4.13325482	3.861572458	2.365752275	2.659380558	3.122771354	3.514356118	3.510649241	2.688200824	2.15556737	2.080071663	3.466572208
PC 36:4; [M+H]+@4.15	-1.595641394	-2.081264115	-2.362974577	-0.849028408	-5.283465278	-1.544453449	-4.110369864	-3.596284037	-3.8789143	-4.386247079	-4.32706882	-7.05702145	-4.047443386	-4.221594964	-3.733728454	-4.852730718	-3.640199642	-3.154600871	-5.878545925	-0.656235414	-5.106853354	-4.604072235	-4.215823941	-4.058684716	-3.608869292	-3.537628423	-4.016149851	-2.837234408	-4.47449433	-4.063021388	-4.877089936	-2.673507493	-1.756283937	-3.083280401	-3.307184826	-2.737612808	-2.560360467	-3.295065018	-3.501454718	-3.32674321	-3.491424142	-1.600797955	-3.021006192	-3.63951524	-4.533098555	-3.762709028	-0.657232362	-2.396239122	-3.34569826	-2.105477873	-4.01912298	-3.583785421	-2.970095018	-3.347903398	-3.022771729	-4.356606738	-3.615431519	-4.686727651	-4.824441598	-3.209353285	-3.618313974	-3.280226651	-4.508806561	-5.790224519	-4.269973547	-2.978399365	-5.985462968	-13.99823585	-4.138159369	-4.080742957	-4.459233554	-3.925830951	-2.789294145	-4.021118674	-5.426102918	-3.995245455	-1.18940765	-3.206228513	-4.633423124	-2.574695082	-3.102874638	-5.602414185	-4.069549348	-3.355262277	-2.757255208	-3.833408174	-2.747865118	-3.614411221	-4.724088864	-5.206567254	-2.662415414	-4.317382595	-3.912108463	-3.515175909	-3.757403241	-3.876953832
PC 36:4; [M+H]+@5.835	3.627382911	2.920191332	3.352831745	3.498229459	3.60766487	2.942421283	3.65150419	3.533642237	4.252665734	3.339508627	3.973967681	3.722607053	3.518844278	4.400284033	3.265241971	3.935546098	4.462580402	3.06369755	3.396998683	3.13193556	4.463573399	2.872161971	3.771852468	3.262392246	3.581901545	3.795549216	3.451146651	4.291873497	3.806252709	3.824091623	2.897213007	2.69355264	4.558594036	3.64833006	4.010617166	3.753799054	4.320229688	4.116194099	3.945225195	3.331069485	4.279575279	4.130802365	3.967632386	3.676917856	3.183925959	3.025091864	4.011374209	3.574988304	3.427657176	2.690445718	3.2052861	2.542178749	2.845530502	3.190984792	3.410000131	3.264494879	3.828611443	3.196469841	3.360152135	3.65316339	3.21712499	4.197539972	3.067249488	3.145844756	3.555377112	2.569553023	3.416006342	3.812231353	3.923993263	3.282506726	3.006881541	2.87548596	3.343504735	3.670974737	3.171006992	2.992924973	3.834108482	3.171733967	2.694632637	3.313950241	4.136371532	3.155852741	3.709890568	3.464714099	3.561563624	4.02697424	3.457638923	3.078890222	2.672974001	3.960324578	3.699859314	3.401901703	3.086573462	3.164903334	2.128694027	2.913525495
PC 36:6; [M+H]+@4.62	1.925436401	0.249548958	1.831874918	0.944885121	0.614996637	-1.17315162	0.967971717	1.589594523	-1.497349469	-2.133442995	-0.677541361	1.399689119	0.215486471	-3.539492848	-0.506187915	-2.272558211	-4.308133389	1.955143443	-2.127248637	0.731702049	0.497223227	-1.479261784	0.98935828	-1.300543218	-6.21111476	-0.336525834	0.980015821	0.737358033	0.880830609	-0.130671791	0.23811194	-2.294392779	-1.947821061	0.634520326	0.161183358	1.082332493	0.484072863	-0.154528258	-0.189575902	-0.578081068	0.241459112	-0.26081819	0.589708861	0.662225446	-0.569287258	1.677607412	1.1544177	0.396690709	1.678329798	-0.079779618	2.214334252	0.820597685	1.619252363	1.189014995	2.292095821	0.262192306	0.775267961	-0.302679365	-0.276303095	0.13808032	1.597840438	1.639328969	-1.078813905	-2.055565023	-0.922911451	0.795244368	-1.94210175	0.041565208	-3.192933778	-3.663745853	-0.224797314	-0.428422167	-0.130278502	-0.263364652	0.258254064	-0.215351577	0.578691747	-0.650011635	0.009680768	0.340830468	0.21322415	0.298380906	-0.322256755	0.7740684	-13.99823585	-0.215442375	-0.81472851	1.441073551	0.33782697	0.07700568	-0.569037092	0.728803064	0.188469699	-0.024872193	-0.570923548	0.181463143
PC 37:0; [M+H]+@7.44	0.621389647	0.334625662	-0.512629823	-0.855566482	-0.183008181	-0.472635171	-0.974197832	0.110228931	-1.413535206	-2.484940117	-0.891182577	-14.24915584	-1.495236915	0.140162606	-1.386183868	-2.146977577	0.04301153	-1.060664174	-0.25407014	0.40776578	-1.538542508	-1.185424929	-1.316882502	-2.659784503	0.39029977	-3.199611533	-2.230207847	-0.301873396	-0.633677334	-1.458142227	-0.224568147	-1.710726498	-0.505420936	0.216052532	-1.566713879	-1.615042886	1.00974569	-1.064177766	-2.670461066	-13.81968664	-1.433900571	-1.216912908	-0.9762321	-0.562853479	-1.087395429	-0.923507673	-1.711045988	-1.078248155	0.503305328	-0.450923511	-0.341189357	-1.935783514	0.384345812	-0.305957346	-0.542341487	-1.357333275	-3.950636659	-0.753294595	-0.303016693	-1.325105259	0.020417178	-1.160342987	-1.927942793	-2.1453892	-0.386255429	1.179687783	-1.609233638	-0.658842698	-0.528019454	0.382113069	-1.855559338	-0.589719561	-1.527666165	-2.715752666	-1.84931114	-1.310793793	-1.65484953	-1.605658245	-0.9873736	-0.326998261	-0.640585444	2.053916893	-0.840992076	-0.216112127	-1.830715847	-2.450422731	-1.691813121	-0.673283154	-0.181046001	-0.078570533	-1.064675692	-1.016212149	-0.592873346	-0.778447058	-1.189641237	-1.960462664
PC 37:2; [M+H]+@3.96	-3.230716867	-2.195623283	-3.13643853	-2.546778422	-2.656383508	-3.047286719	-3.207180997	-2.108114589	-2.203497539	-1.856911168	-2.766876272	-3.738125567	-5.265128581	-0.38147494	-3.125999539	-0.378097716	-2.435535212	-1.670566455	-1.672713076	-2.180129087	-3.206758725	-3.161969233	2.03537495	1.441441549	-3.489830012	0.805710326	0.802548054	2.459197758	1.930956291	0.888454722	-4.198649414	-1.823885627	-3.909729722	-1.75808888	1.325283141	1.882648223	-1.763779707	1.031895448	0.217109863	2.440524101	-0.887873569	2.383654211	1.816446235	-3.708206471	-3.80790711	2.611136108	2.747103784	1.744816788	-2.504302536	-4.607713876	-3.467087223	-4.102562053	-3.881093212	-3.635426149	-3.792185151	-3.426171017	-3.333488608	-3.510441254	-3.926269881	-4.777217264	-4.529721225	-3.55402986	-3.219601337	-2.865887778	-3.540696283	-3.974032362	-3.102198039	-1.445605578	-3.274922267	-3.427253801	1.336254361	3.048316114	1.47170128	0.81477866	1.14637289	1.979601344	2.115033695	3.133083921	-2.591752465	-2.72259912	-3.119324545	-3.102773722	2.371977489	2.628104055	-1.995802437	0.238034576	2.069538202	3.01567959	1.379761727	2.317540148	2.631141947	-4.843677911	-4.12774101	1.759346973	2.688490422	0.976744546
PC 38:2; [M+Na]+@7.26	1.069293421	1.307567232	2.697022058	2.300329669	0.941728085	0.980240726	1.244396446	1.729325539	2.270165004	1.881337667	-13.23474835	0.673684797	1.043445667	1.762639181	0.695594833	0.51428208	-0.60880974	1.051501973	1.301504309	1.362397627	0.787034086	2.358247159	1.692319633	0.937795226	1.382173011	1.800761909	0.941989007	1.194461564	1.581155194	1.932631865	0.696264026	1.743898984	2.263022529	3.110368838	2.486237217	0.979395606	1.568043424	0.821941862	0.810665473	1.701426223	0.378919949	1.031664665	1.813272502	1.166175267	1.35011428	2.636064128	1.571038218	2.079637924	0.445280482	0.18788157	1.797711236	0.144694435	0.752506009	1.303265906	1.946481705	0.296003897	1.984040303	1.966456327	2.105024824	0.775462488	2.159294038	1.443795782	-13.92077364	2.289585568	0.892642262	1.277171012	0.557663609	2.064189249	1.25201701	1.480384542	1.200410772	1.674837774	-13.94811623	1.382610766	1.105338558	-0.55395998	2.141581094	2.450762307	0.732487288	2.19436563	1.739744495	1.977483046	2.065390567	1.064637217	-0.005285989	0.315504823	1.775790116	1.843403194	1.003520254	1.922687393	1.995293602	0.67364938	1.186159573	1.196196128	2.321323259	1.46155977
PC 38:3; [M+H]+@9.08	-1.145603412	-1.643897124	-1.398375401	-1.113060051	-1.087961949	-2.062801233	-1.711930685	-1.163805997	-1.91235399	-1.28348288	-2.132971684	-1.054765289	-2.665630873	-2.549939998	-0.947177361	-3.558302002	-1.207872212	-0.225413701	-0.929752948	-1.719515527	-0.771833978	-1.234272578	-1.761026285	-2.038968249	-1.280541112	-2.179001234	-1.98323429	-2.52278457	-0.788281731	-1.619034904	-2.909380224	-2.72216615	0.139250427	-0.506804654	-1.987122523	-1.169677689	-0.858625937	-1.542406319	-3.073567664	-0.468696399	-2.795077932	-0.074644143	-1.853479067	-0.853925908	-1.040809007	-2.038380221	-0.945850942	-0.788627749	-1.127262478	-2.411156827	-0.819961491	-3.413458047	-1.054994138	-0.58188297	-0.921926598	-2.071224813	-0.920439165	-1.348526378	-0.798984609	-2.344524861	-1.295496814	-2.276405365	-2.33003308	-1.830499134	-1.61474381	-2.784621912	-2.566855519	-0.558965861	-2.395620527	-0.78609817	-1.53612048	-0.993994558	-1.841878159	-2.011941526	-1.905501547	-2.98625835	-2.222731107	-0.381550794	-2.078874777	-1.902632485	-1.043250603	-1.01393906	-1.548515339	-1.262296753	-1.685515171	-1.51109241	-1.725655117	-1.665486464	-2.324684098	-2.465146327	-0.464165526	-1.428469298	-0.470384112	-2.704011377	-1.238171929	-2.376525582
PC 38:4; [M+Na]+@6.51	7.797437456	7.574796521	7.349050994	7.809125723	8.213431461	7.350897376	8.516726108	8.177015166	8.126032744	7.270739453	8.043323191	7.244976618	7.817878379	3.245324576	7.882135337	7.701430307	2.933512559	7.436690511	5.011854237	6.82846931	8.813254835	7.038333563	8.186226288	7.534371578	7.67982861	7.662818012	7.853455071	8.100311982	7.208546183	8.145519791	6.91929272	2.685694499	8.716457807	8.322089329	7.715259526	7.948593714	8.977182505	8.227269969	7.923129932	7.561233553	8.160334783	7.906763879	7.621183969	7.637266561	7.300795039	7.808098334	8.37167244	7.992428253	7.23402144	6.078985847	7.0931013	6.483415337	6.282685649	7.171114735	7.453145343	6.814722437	7.597788259	6.677777843	7.831226732	6.580761949	7.782400848	7.39312683	7.044373819	6.771257071	6.612300154	6.289291498	7.006376428	7.50724636	2.531955858	7.476481239	6.603532175	7.267769024	7.175401169	7.679114571	6.921248796	6.94520663	7.430400412	7.535176248	7.854671201	7.548099663	7.568267313	7.147815026	7.926095439	6.723930542	1.37016453	8.054966869	6.941120087	7.550267444	6.885560608	7.436292374	7.640737208	7.498593932	7.213583609	7.26987027	7.146759419	7.045179697
PC 38:6; [M+Na]+@5.43	6.449238868	4.729240653	6.051543268	5.920673175	6.280895978	5.348405669	6.401203331	5.866169364	5.708196616	4.972933521	5.233898037	6.276566013	5.553893501	5.087060034	5.699679377	4.497159804	4.260020284	7.623486026	5.457005733	6.24294212	6.870349004	4.992508168	6.510101743	4.678631715	6.5224056	6.102185603	6.698181968	6.486044395	5.863296606	5.725416115	5.978284702	4.050529512	6.777904197	6.298693934	6.100364568	6.496732206	6.373710254	6.233090049	6.495648367	5.929263934	5.626858922	6.334117543	5.911256044	6.246811219	5.801283678	6.577051192	6.273901226	6.293993992	6.087787186	4.421629002	5.628432864	5.247020039	5.762323222	5.897002874	6.301320683	4.889793296	6.212051528	5.527199325	5.926796721	4.971395591	6.41883134	6.761183183	5.211573809	4.729094688	5.947535685	6.938686649	5.567752795	6.55303647	5.797866752	6.301576248	5.067905827	5.131128154	5.646817062	5.045457952	5.938534168	5.965587043	6.199823113	5.510105541	5.231025282	5.832675324	6.825667232	5.676283155	5.604105857	5.801878022	4.215183703	5.58024713	5.693335006	6.054817831	5.802611627	6.126839422	5.984890549	6.200440601	5.546424634	5.87361979	5.531734207	6.02407882
PC 38:8; [M+H]+@5.09	-0.481270668	-1.43420077	-0.655399102	-1.514138903	-0.179000888	-1.333817125	-0.464436229	-0.926450947	-0.141026807	-1.344391949	-0.344114007	-0.124543407	-0.911322341	0.384813568	-0.687955208	-0.261050668	-0.989856895	1.39159287	-1.035570845	0.172311183	0.687255047	-0.694300859	-0.424743479	-2.50790795	-0.413860985	-1.651704578	-0.494826773	-0.212484457	-0.484163575	-0.889797741	-2.146894313	-1.865413389	0.004417673	0.665883648	-0.791402735	-1.012442906	-0.054199325	-0.919142825	-1.111830033	-1.036408678	0.043500139	0.253513614	-0.109861245	-0.507752724	-0.991352104	-0.726230881	-0.119468381	-0.678677787	-1.636643436	-1.10764319	-0.33109775	-1.740340902	-1.434916113	-0.606096848	-0.825701574	-1.846085497	-0.530549114	-0.921022431	-0.244890063	-0.452598186	-1.171750068	-0.158166643	-0.596599542	-1.325874912	-0.273449771	0.921866524	-1.381051438	-0.761844562	-0.834665704	0.292542914	-0.761071559	-1.29130819	-0.582403694	-1.15211774	-0.283667501	-1.125233697	-0.998709435	-1.231674236	-0.700688136	-0.6615772	0.063562546	-0.109246436	-1.145683587	-0.711869921	-0.090472202	0.192888969	-0.978324448	-1.270452435	-1.218156754	-1.113122468	-0.566570978	-0.723675154	-1.0517688	-1.742777046	-1.236125242	-1.099227782
PC 39:3; [M+H]+@7.01	0.708990141	-0.825808134	0.317016074	-0.84606596	-1.20745399	-1.087446759	-0.073534374	-0.753629662	-0.529445668	-1.701426398	-2.114324156	-14.24915584	-2.363634604	-1.029760742	-2.908594806	-3.053922996	-1.952807154	-1.655204299	-1.635691466	-0.331113694	-1.130457472	-1.502189745	0.149995882	-2.371380474	-0.726502433	-1.588157212	-0.201299743	-0.188827995	0.946589859	-0.389457665	-0.527278768	-2.074431479	0.48144786	0.362061625	-0.410676297	-0.748403689	-0.884314536	-1.061552403	-1.889522317	-0.880177068	-1.161016655	-0.618648036	-1.024038242	-1.282879641	-1.063700236	0.463572031	-0.288847663	-0.036726132	-0.543302757	-1.446554517	0.296132897	-1.975680415	-0.808796009	0.317146492	0.883919805	-15.10966144	-0.434548557	-0.672656134	-1.184243546	-1.991024999	-0.348125114	-0.272712413	-2.912202021	-1.874685687	-0.4274674	-1.890795918	-1.789125656	-1.310784835	-2.464045618	0.263240194	-14.18227811	0.800693635	-0.520572039	-0.937432136	-0.414029017	-0.760386555	0.402569854	-0.396076525	-1.460073712	-1.50040493	-0.46364551	-0.685964121	-0.208996447	0.469688889	-1.627855041	-1.653342955	0.199322679	1.116393297	-0.462996413	0.682128063	-1.001255266	-1.251563574	-0.466220278	0.050684571	-1.13481282	-0.154239469
PC 39:4; [M+H]+@7.49	2.213638844	-0.254049243	0.56686159	1.348498282	-0.136894366	-0.006878408	0.54897121	0.83471547	-0.211581667	-0.169174592	-0.149426135	1.977808272	0.034428897	0.730741846	0.182443426	-1.908476907	-0.814025827	0.554832041	-0.15089643	1.691154715	1.289850455	0.945832554	0.828062001	-0.840551028	0.573158618	-0.017978219	-0.522622252	0.526715901	0.501158457	-0.322402772	0.697526595	-0.846065492	1.720336313	1.189483133	0.433570319	0.917280666	1.082204493	0.228592374	-0.195132523	0.884526292	-1.274829852	0.947401899	0.662421067	0.726564021	0.0130835	0.159260011	1.61270195	0.964880982	0.85357489	-0.55403456	2.409215174	0.536085124	0.63943219	0.300195245	2.018103547	-0.623417717	1.425555506	0.451083083	1.97719162	1.102962853	0.317632449	1.980675901	-0.29882151	1.044273841	1.060499557	-0.215089895	1.231278829	0.377659034	0.596605994	0.839398466	0.878319433	2.088064751	-0.49370207	0.468540468	-0.554441378	0.245513691	0.206090275	0.822718638	0.216142487	0.605910393	1.588355986	0.518491883	0.19645141	0.817635011	-0.087165725	-0.02794508	0.00389962	0.454377347	0.968895653	2.455076068	1.495119514	2.075646172	0.983308052	-0.148564978	-1.358628647	0.384948173
PC 39:5; [M+H]+@6.62	0.969948715	0.18324333	1.30124117	0.781875919	0.170603042	0.61822329	0.789429501	0.078467484	-0.311867502	0.634535972	-1.39280666	1.657289582	0.00449956	-0.051500761	-0.680053997	-0.301059281	0.395327518	-13.76378852	0.18218499	-2.523260868	-1.716004395	-1.647856649	1.436666766	-0.845620897	-3.816885653	-0.381326772	-0.35685797	1.226553734	-0.547268518	0.734854462	0.697655747	-2.345847772	1.295584735	-0.533280606	-0.025058381	0.349713369	0.997887712	-0.212883568	0.019923864	0.204142976	-0.050615175	0.827984399	-0.535792913	0.0317425	0.914572343	0.884375932	0.734555072	1.087070294	-0.237992691	-0.368308512	1.587030816	0.212393906	0.506865258	0.40816074	1.728852507	0.045028118	0.57669729	0.642060363	1.473173159	0.320619929	0.91683248	-2.103845583	-0.80496108	0.701739361	-2.205037574	-2.560072378	-0.570124583	-1.310394768	-1.60032081	2.171357735	0.389583678	0.965617137	-0.206715297	-1.211253669	-0.291846328	-0.698945416	-0.090016534	0.37789258	-0.212220845	-1.267869643	1.05349884	-14.02664102	-0.072345816	1.157849328	-0.301986805	-0.119985857	-0.154456684	0.14958025	-0.958833327	1.589293187	0.690058592	0.923275161	0.864818078	-0.475117835	-0.582077845	0.100539285
PC 40:0; [M+H]+@6.93	2.456046244	1.347662852	1.916146882	1.454035042	0.696973387	1.621914063	0.315077897	1.80359854	0.436836209	1.665926967	1.725825498	2.236309781	1.95986767	-2.676284616	2.854058751	0.269952914	-3.925274239	0.381115637	-1.554575048	-3.305647995	-1.01655408	-1.100749268	1.403680835	0.879746706	-3.671503282	1.549913564	-0.060687964	1.545599826	2.200006344	0.99700201	3.141564654	-3.701339679	3.02759317	-0.7137505	0.911700756	2.133957082	-0.065813093	0.290144694	0.948029231	1.404979287	-0.239571793	1.352844615	1.326994714	1.868362208	1.832250501	1.991322666	1.846499215	1.422039594	2.674928174	-0.859163139	1.623254378	1.561770891	1.160634283	1.526178339	1.534437584	1.057612785	2.650980607	1.017402049	2.022475365	1.218990344	2.171190209	-4.199338302	0.737565822	1.34036734	-0.763268916	-3.360552319	-3.203039756	1.632008262	-3.855882536	1.886777487	-1.456639446	1.965062108	0.647067006	1.180960144	-0.43623212	1.155578626	0.875624265	2.716473196	0.589398828	-2.618586256	1.832034446	-2.848069629	1.610475485	2.555223381	-2.618403103	-0.528559594	1.15955477	1.348773557	2.031777379	2.247123936	1.094810822	2.480030127	2.39432037	0.799970473	1.313526042	0.812918468
PC 40:10; [M+H]+@4.93	-2.58471926	-3.793249897	-2.414226787	-3.350334967	-2.591382302	-3.458715606	-2.213652179	-3.771802407	-2.194846597	-3.855088601	-2.51507035	-2.579357625	-2.143168995	-2.180920609	-2.374588363	-4.156415797	-4.159815346	-1.686097312	-4.318530477	-3.100111931	-2.39929663	-3.071268911	-3.909176933	-3.490441811	-2.075888655	-3.54312299	-1.757994693	-3.183508375	-3.177158038	-3.376181911	-3.973723141	-4.09830784	-1.788605524	-3.224077438	-3.991424151	-3.236275205	-1.919668139	-2.321967965	-2.120232348	-3.278970097	-2.019270445	-2.052407057	-2.490589143	-2.281233532	-2.644736181	-3.114548562	-2.421958972	-2.35980131	-2.915747281	-3.01211347	-3.057061588	-4.54842687	-4.827982939	-2.351853594	-2.501850371	-3.129563643	-3.124460352	-2.793066965	-2.200884145	-3.073059706	-3.838299652	-1.8902797	-3.303427097	-3.563950592	-2.831409679	-2.531199633	-3.983857806	-2.183548276	-3.690817574	-2.542452021	-3.118651017	-4.504410985	-3.639319545	-4.376396323	-4.058439281	-3.025269862	-3.650581998	-3.090144972	-2.760955007	-2.138003124	-2.579961915	-2.399676472	-3.896773947	-2.068122142	-5.071185871	-2.435030524	-4.113503395	-3.252941844	-2.957737351	-3.315714163	-2.358998764	-2.335086699	-3.060248686	-2.737345878	-4.434984147	-2.580738725
PC 40:4; [M+H]+@7.82	1.222101462	0.463871556	0.518482316	0.121809385	0.387982579	-0.467974463	-0.226182203	-0.106134861	-0.42413264	0.229949939	-0.113973792	0.747313378	-0.92108634	0.956600196	0.710990715	-0.368155103	-13.01575258	-0.30355672	0.330471765	-1.634749362	2.357353331	0.945968225	-0.55758289	-0.185276997	1.431961938	-0.573238885	-0.67057084	1.170761998	0.700917433	0.837025854	0.319228696	-1.454170737	1.622110057	0.585808202	-13.81968664	-0.260966774	0.033496263	-1.659699118	-0.983474286	0.458744047	-1.160975866	1.172899232	-0.858687266	-0.274061993	0.872041796	0.72670536	-0.015958967	0.576736387	0.90368155	-0.969840435	1.420898263	-0.186497353	-0.410062352	-0.527515654	0.868171506	-1.290467698	-0.577200108	-0.942731988	-0.111202207	-0.43504968	1.040360426	0.77513271	-1.36729372	0.253792856	0.765118309	-1.120269256	0.644810147	0.966674745	-0.146440926	1.209567905	-0.223696237	1.451340064	-0.013600983	-0.990910938	-1.39547048	-0.342292176	0.559426514	0.026985974	-0.778703896	-0.154338811	-0.487760914	1.822316796	0.515894881	0.19415516	-0.141899825	-0.718757694	-0.287955551	1.308121318	0.570584421	0.316329804	0.867538282	0.61684972	-0.884350499	-0.582509925	0.4978879	0.094826846
PC 40:4; [M+Na]+@7.19	-0.278833377	-1.042638947	-4.624408444	-0.447656034	-0.638838383	0.044712194	-0.401985896	-0.424815323	0.41430656	-1.714961267	-0.141392698	-0.758230364	-0.323235774	0.508482234	-0.310765754	-0.844412461	0.360080113	-1.262319929	-0.485567607	-9.296011285	0.197227831	-1.624478209	-0.788576456	-0.309153756	-0.613121105	0.093279204	0.329253073	-0.506489022	-0.939675249	0.325567574	-1.205143158	-1.237716967	0.392872378	-0.445073954	0.898804655	-1.622665322	0.255594908	-0.062888005	-0.795902721	-0.690798849	0.29186171	0.040644527	-0.908150242	-0.015643285	-0.553942556	-1.356586832	-0.679634916	-0.826201547	-0.289909594	-0.907941261	0.423893898	-1.41250684	-4.253242735	-1.682761523	-0.95674049	-1.257618244	-4.719108718	-3.400539264	-0.697540521	-1.092288285	-1.280129893	0.052760954	-0.893850494	-1.756269227	-3.132413022	-2.461605422	-0.68821828	-0.792997826	0.58631439	-1.096873795	-2.501356701	-1.688874461	-2.258523774	0.272190113	-0.918333897	-1.470767091	-0.138702226	-0.172258958	-1.442937569	-0.574041682	0.309136541	-0.986639038	-0.155256513	-3.54754546	-0.089299163	-0.582584105	-1.480509433	-1.282062818	-2.283245873	-0.538377879	-0.035987199	-1.525293434	-0.873814086	-0.145778181	-5.038616065	-1.311388432
PC 40:5; [M+H]+@7.35	0.913587101	-0.144862274	2.02617998	1.779381788	0.823020707	1.80227311	0.229233806	1.708765579	2.036566495	2.031303779	0.564622846	1.312406777	0.974565878	1.26628156	1.875045628	-0.236180266	0.306720056	2.141731319	1.823113472	1.391472616	0.880808114	2.338971182	1.616616441	0.159031685	1.85910448	1.73302302	1.251545803	1.526243615	1.632101331	2.135535969	0.435395047	-13.76378852	1.053927615	3.19139166	2.4790265	1.262979934	1.17724197	-0.291874656	0.465848057	1.967590792	0.491896837	2.276993969	-0.593893368	0.951384318	1.588959626	1.340735933	1.496976091	1.640824368	1.201729903	0.615647634	0.707650175	0.243673709	0.167654498	0.524194334	1.704382016	0.301175962	1.469368876	1.596894103	2.685890252	1.32355431	1.802922531	1.491228386	0.952649072	1.165392636	2.110103111	0.073762669	0.790787481	1.968835309	1.466617131	2.711587208	1.344803969	1.017395371	1.025175752	0.565125133	0.816195404	0.412128822	2.095965947	1.457622886	1.059952694	1.618551354	1.13367242	1.319614878	1.078292619	-0.043209455	1.299731269	-0.232151918	0.668929456	2.120804896	0.43130773	1.629345986	0.791503641	1.279072917	0.871280572	1.074735131	1.685893359	1.810856879
PC 40:5; [M+Na]+@6.93	-1.667603462	-1.662117124	-2.152062006	-2.227935896	-3.368861776	-2.372673366	-1.852829359	-2.249760708	-1.096303741	-1.161380264	-0.975605845	-2.64433274	-2.391883368	-1.108776548	-1.627569454	-1.181889566	-0.288511322	-2.057956017	-2.04433679	-2.04525626	-1.663959769	-1.756618253	-0.992925431	-1.910742666	-1.42649116	-0.949184218	-2.095530892	-1.46183543	-13.77040964	-1.321910127	-2.431867763	-2.041124263	-1.306398227	-1.215915001	-1.599219663	-3.002282584	-0.712740901	-2.509302693	-2.206145903	-2.974008576	-0.873721088	-0.595706046	-1.692270328	-1.681595829	-1.664869735	-3.037344576	-1.14546772	-1.271961073	-4.091239749	-2.812816998	-2.543687864	-3.760352192	-2.830975413	-1.871387571	-2.284690942	-3.649984042	-2.548045725	-3.263350348	-1.835656608	-2.378257342	-2.275351288	-2.169904548	-1.8920309	-1.732138314	-1.54589555	-2.80541625	-2.746186451	-0.887908588	-1.386694706	-2.243999342	-1.627993809	-3.006203893	-1.157917934	-3.265638227	-2.720685087	-3.349859848	-1.672857614	-1.643970345	-2.551412141	-2.051448026	-1.767465722	-1.274030625	-1.146859166	-4.295074721	-2.180617671	-2.744501014	-3.311927606	-1.726158848	-2.586773256	-2.249006304	-5.405556449	-1.719266991	-2.229614399	-2.993906211	-3.298250823	-2.928165593
PC 40:6; [M+Na]+@6.3825	3.897533416	2.848943728	4.218214094	3.813634179	4.203958863	3.936626035	4.026629317	3.634786502	3.464509755	3.048975301	3.556516715	3.878283805	3.48854104	3.720892335	3.946701798	3.016163915	1.685757713	5.336581312	4.166178089	2.931129953	4.231692228	3.407730696	4.344407161	3.558043867	3.696143536	4.328119965	4.514940294	4.066278756	4.316184705	3.725385997	3.942378558	1.862074112	4.463980984	4.174723561	4.486158547	3.64772873	4.278836539	3.681602275	4.0020866	3.373909036	3.588856529	3.92944029	3.30752373	3.858891787	3.266283404	3.943249181	3.741830261	3.795658086	3.139333092	2.107075613	3.731429216	2.324671172	2.882831734	3.217508019	3.189834348	2.14360529	3.484854328	3.761780799	4.316242639	1.959253815	3.715567088	4.561835992	4.031241918	2.74926906	3.996160653	4.326527859	2.477063213	3.387128731	3.437613146	4.375232304	3.564694322	3.932996503	3.263863693	2.93050997	3.607822073	3.454295526	4.307160188	2.939581914	3.067093791	3.637268715	4.43813287	3.82205339	4.263414683	3.295177148	2.057178414	3.87397824	3.519473535	4.053300991	3.01875291	4.178679597	3.596303596	3.537124731	2.899022021	3.201946358	2.931476033	3.230784377
PC 40:7; [M+H]+@9.10	-2.797171201	-4.135365679	-2.305259461	-3.156396424	-0.662734114	-3.254404023	-2.917158156	-2.868348807	-3.634613124	-3.334328272	-3.511007512	-3.452782462	-2.907138415	-2.47236928	-3.104812483	-3.566774079	-1.950892561	-3.344731702	-3.220708984	-3.02871896	-2.796408345	-2.820376312	-2.850983063	-2.826503238	-2.09514388	-2.392057826	-2.765928356	-3.143016894	-4.092088379	-3.022176857	-3.278982287	-4.330544462	-2.093160178	-2.60419085	-4.270087473	-3.821156548	-2.085823	-2.906178207	-3.759119241	-3.325048364	-1.27312962	-3.209194363	-3.401371255	-2.766718155	-2.742507126	-2.983383471	-2.165039003	-2.887241273	-2.394207393	-3.576258551	-3.267783882	-3.515486666	-3.291851333	-2.959793588	-2.642837959	-3.458059707	-3.697685856	-3.9228024	-3.309331695	-3.443773475	-1.987497543	-3.242209915	-3.539145037	-3.821013848	-3.721141702	-3.935123299	-3.226722183	-3.080532063	-3.905366499	-2.933875584	-3.425161588	-3.433595567	-3.806716176	-4.150199017	-2.981773468	-3.799238858	-3.708895765	-2.992428999	-2.489519321	-5.17600169	-2.79848447	-3.556679096	-3.135682664	-3.671995171	-3.194044074	-2.834882622	-3.654280463	-4.789205298	-4.611869826	-13.94811623	-1.83994442	-3.061934319	-2.898275531	-3.150603489	-3.460579153	-4.553644995
PC 40:8; [M+Na]+@5.435	-2.027326952	-2.997563742	-3.146064144	-3.379161966	-2.401825073	-3.284982692	-1.859520466	-2.785059002	-2.98393301	-3.34212848	-2.355345002	-2.195387305	-2.940832062	-2.039415918	-2.202887546	-2.396291419	-3.529831887	-0.659745876	-2.374944389	-2.319813094	-1.682147036	-2.227921734	-3.652284517	-4.008046568	-1.978957068	-4.278089582	-2.379565228	-2.656188053	-2.938282865	-3.326137853	-2.450025065	-2.592621012	-1.639839096	-4.014007823	-3.86580241	-3.195894189	-1.58472667	-3.456422687	-3.223180888	-4.079455808	-3.221024859	-1.688879131	-2.964207199	-3.745000736	-3.491813671	-3.11045668	-2.87222805	-2.685262696	-3.433298401	-3.805771925	-2.406008741	-4.01685815	-3.709586607	-1.814228679	-2.234350942	-3.794344698	-2.24338348	-2.602376381	-2.364281261	-2.138574457	-2.735186161	-1.561160203	-3.226803077	-2.534065773	-2.488127135	-1.372835061	-2.323629311	-2.433835746	-2.116704579	-2.445980214	-3.83002131	-2.53388992	-3.009818908	-2.387361132	-3.433252909	-3.299614445	-3.544773331	-2.504081302	-3.074223444	-1.877031371	-1.909542585	-1.415900346	-3.709278896	-2.505313108	-3.055829621	-4.707459498	-3.505355889	-4.048175397	-2.253962618	-2.566924943	-2.809908377	-3.198840866	-2.705586834	-2.724592822	-4.160738366	-2.949557265
PC 41:5; [M+H]+@7.90	-0.590648535	-3.356423088	-1.951581066	-1.262713295	-1.460053162	-1.920469722	-1.032078588	-3.421452081	-1.282127564	-3.969475575	-2.322597556	-2.095087975	-2.68584883	-0.117538766	-1.459711219	-1.614210502	-2.579910255	-0.374339902	-0.53494761	-1.25655749	-0.738555392	-0.335619764	-2.446672513	-3.078990362	-0.522168602	-1.876705984	-2.509558024	-2.088400946	-2.565561349	-2.110581286	-3.560216675	-1.879786595	-1.733506036	-0.11064121	-2.448794601	-2.216641662	-13.76378852	-2.749560833	-3.176162869	-3.333465722	-1.659771303	-2.1683072	-2.81744227	-2.056822696	-2.989219726	-1.386106114	-1.804427199	-3.009925083	-2.131138589	-3.149256236	-3.081443556	-1.893032432	-3.009659355	-1.35067016	-0.337015181	-3.19572948	-3.211964422	-1.284702319	-1.546732543	-2.398374018	-2.384350541	-0.516286075	-1.284663433	-2.698816967	-1.901024601	-1.571166345	-0.973548084	-1.042575018	-1.781135694	0.105918972	-3.04613632	-2.746396325	-2.36180236	-2.82536847	-2.36163813	-3.629730542	-2.475369155	-1.585921443	-3.097450483	-0.190059721	-1.685483575	-0.698171265	-3.576528417	-1.920676767	-2.308771295	-2.7032694	-2.818875219	-2.479384945	-1.998632533	-0.777969926	-1.859253462	-2.421662758	-2.256670015	-2.587617916	-1.765089882	-3.499555466
PC 42:11; [M+H]+@4.57	-4.65859465	-4.788167744	-4.758888906	-4.511443295	-5.407563289	-5.181418634	-5.716916394	-3.232593536	-4.741485225	-5.102318069	-4.902983567	-5.720490813	-4.491275342	-7.944059821	-4.974711438	-5.313425052	-3.745594564	-0.726712361	-8.29791393	-3.827651266	-4.343010141	-6.083102672	-5.876781099	-5.976381372	-4.57305718	-4.955351598	-3.694364525	-4.274642452	-5.086905379	-6.959771395	-5.488309777	-5.429214234	-4.63149952	-7.965992056	-4.108182253	-6.99232616	-4.674631306	-4.532569471	-4.708830617	-3.563285798	-5.553525612	-7.482953371	-4.652607981	-4.651060261	-6.086050559	-5.745822989	-3.016194629	-4.921457651	-5.090374123	-4.063161361	-4.428388295	-4.895118239	-4.373268899	-7.262469461	-4.919966087	-5.599290856	-6.748867009	-6.004327201	-5.126685091	-4.480966592	-4.346071714	-5.404152815	-5.661941933	-5.083630092	-6.841796237	-2.020671705	-6.945086624	-4.750825175	-3.66264335	-3.362451241	-6.855818717	-3.200273942	-6.096844988	-5.014282674	-2.312696046	-2.998894554	-4.531504725	-5.727382632	-6.362224416	-5.807077628	-5.752329328	-6.654183692	-5.619870138	-4.715679401	-5.913760515	-5.350943067	-4.880896746	-4.692108057	-5.533177305	-6.808815896	-3.882950156	-4.711810524	-4.655663871	-5.504042738	-4.608078567	-5.080458449
PC 42:2; [M+H]+@8.71	-1.490756701	-1.457647791	-0.588723034	-1.130550567	-1.577923286	-1.66814313	-1.314191555	-1.623727883	-3.425316661	-2.609501613	-3.547032628	-0.374602398	-1.807912262	-3.138408161	-0.446785708	-2.160527835	-4.450973776	-0.729340348	-2.957054791	-2.136032528	-1.434944773	-3.057351029	-1.56404331	-3.133083149	-2.345477209	-2.751733193	-2.481266332	-1.15880357	-2.14896283	-1.57593987	-1.440952392	-2.467009874	-0.483833007	-0.495117147	-2.074141429	-2.687780517	-1.603993564	-2.319944469	-2.552556752	-1.572181982	-3.058950916	-1.839114827	-2.448282842	-1.018910111	-1.546706501	-0.226118832	-0.797524632	-1.799483304	-1.212058513	-2.226824164	-0.929410465	-1.732094378	-0.77947151	-2.702834822	-0.951475686	-2.621701976	-1.071243874	-1.698922952	-1.74222995	-3.121692036	-0.009726429	-3.493016867	-2.419932052	-1.583804687	-2.084552883	-1.128878789	-3.272753498	-2.057473161	-3.035519714	-0.713651141	-3.296017202	-1.462264744	-1.80840576	-3.294981436	-2.837349104	-2.75404553	-1.731014951	-0.792079746	-2.43694999	-0.649244366	-0.07689185	-1.609448088	-2.167342262	-1.982219597	-3.817485908	-2.998687607	-2.883915982	-0.483756028	-1.618344195	-0.820577715	-0.819131395	-1.418924631	-2.218816455	-2.722950718	-1.248675824	-1.455961648
PC 42:3; [M+H]+@8.00	-0.729240287	-1.570608811	-1.696541182	-1.221716061	-2.006765532	-1.726624343	-0.305193153	-0.875778743	-1.911207216	-3.072242563	-1.546040043	-0.528855038	-3.066880708	-2.123599883	-1.198310312	-3.506516945	-3.523375814	-2.194351328	-3.128708353	-2.797771964	-2.277139778	-2.301833341	-1.374147113	-2.42833022	-2.721578059	-1.475307786	-1.868918156	-0.67389584	-0.524381528	-1.524291973	-1.066744615	-3.414661947	-0.204435296	-0.399527146	-2.172059751	-0.707187991	-2.230386557	-1.588182812	-2.076246963	-1.125040552	-3.664541721	-2.427692937	-1.68290347	-1.405598174	-1.00790057	-0.361182112	-1.33808691	-1.439012746	-1.125913554	-2.232142532	-0.501888721	-1.469596321	-0.647159175	-1.941255492	-1.030647562	-1.970525702	-1.31573436	-2.595354553	-1.847201052	-2.118291551	-0.699345538	-2.58926284	-2.820261806	-2.13628982	-2.825141813	-3.254937381	-2.799639985	-1.616921366	-2.180498464	-0.30517972	-1.795167991	-0.932906455	-2.606903626	-1.465673454	-2.009469607	-2.650465615	-1.857995562	-1.252589679	-2.310276622	-1.464329213	-0.082302075	-0.868165063	-1.306842868	-1.977493492	-3.003249941	-2.64586676	-1.31775013	-0.803918738	-1.393233824	-0.638427036	-1.073146657	-2.486655123	-0.9905885	-1.676881436	-0.661596913	-1.409503747
PC 42:7; [M+H]+@6.88	0.544751653	-1.428964641	-0.047449082	-0.296239477	-0.07967513	-0.655891199	-1.06324794	-0.956387719	-0.514885588	-0.622908102	0.128681387	0.131078652	-0.625658993	-1.888197182	0.277716744	0.532330509	-2.599080849	-0.40628571	0.401215185	-1.334854963	0.314355243	-0.619844099	-0.837724319	-0.345087514	-13.76378852	-0.702446563	0.170126571	-0.265437505	-0.768933915	-0.585352605	-0.720659756	-0.789538477	1.118295435	-0.002229	0.338192494	-0.559197596	0.634766554	-0.652296584	0.068684406	-0.327071379	-0.235216188	0.580727851	-0.641371149	-0.463237592	-0.189556004	-1.305189553	-0.905028945	-0.037987506	-1.670086134	-2.122050976	-0.972525749	-1.921959665	-1.593611486	-1.048385172	-0.276661704	-1.960123149	-0.421011457	-1.798822385	-0.565312776	-1.030646489	-0.392372936	-14.02664102	-0.801727794	-1.365368886	-0.217397252	-1.251333535	-5.669352224	-1.322559214	-2.652469378	-0.10603228	-0.958910617	-1.827363109	-0.020356565	-0.196097658	-1.835340864	-2.041067339	0.084198826	-1.082857045	-1.410568727	-1.157050589	-0.438822603	-1.258150545	0.263343272	-1.101783103	-1.320780444	0.33186447	-0.03419188	-0.151796434	-0.627963201	0.477587383	0.412364696	-0.998619503	-1.443432123	-0.82586862	-0.692967909	-1.612400241
PC 42:9; [M+H]+@6.13	-2.236806557	-3.226750836	-4.065083842	-3.270206286	-3.315866703	-3.051182372	-2.239637376	-3.867659271	-2.252548964	-2.821831282	-2.331410752	-3.825441491	-3.001594552	-1.707147223	-2.47716466	-1.745926887	-2.501893126	-2.296204122	-2.871536245	-3.937589985	-1.778302106	-2.267072204	-1.970890835	-2.944635629	-3.022679458	-2.078950735	-1.059606058	-2.893994402	-2.869633629	-1.76161041	-3.627101168	-3.337825506	-1.951416417	-3.087383946	-2.892200889	-2.638725499	-2.198706099	-2.879848146	-2.820249663	-5.039621735	-2.419819896	-2.67170489	-3.788202151	-3.066088642	-3.003070021	-2.904956107	-2.952735606	-2.022793422	-4.5672601	-3.677523358	-3.317215814	-6.307579474	-4.035769816	-4.478979076	-3.154342612	-4.862380337	-3.956124233	-5.24443692	-2.671284823	-3.87070306	-3.620447316	-4.139447	-2.737293763	-3.332748644	-1.978410511	-1.733600352	-3.523659137	-2.613438154	-2.122702236	-3.628055019	-2.986293233	-3.287068278	-4.010314012	-3.294200651	-3.213290186	-3.170051331	-3.2417677	-4.948413827	-4.080732705	-2.761032779	-3.561403055	-2.089596666	-2.767027544	-4.162560326	-2.446191705	-2.515366125	-3.95492757	-3.963090857	-2.308780063	-2.75958855	-3.768192858	-3.98773299	-3.199952375	-3.33198594	-4.340800144	-2.634273256
PC 43:6; [M+H]+@7.91	-1.154441879	-2.871634354	-1.685663939	-1.950542959	-3.523872981	-2.133993219	-2.235379308	-3.180714056	-1.460969098	-3.044538903	-2.2816602	-1.245055644	-2.332701449	-1.709321598	-1.146231703	-4.76200552	-2.645017104	-0.600628879	-1.422244434	-2.117255267	-2.802827738	-2.545821018	-1.853531058	-3.775788317	-3.147337577	-2.162180642	-1.573321189	-2.663032912	-4.132585859	-3.961420808	-2.490319001	-2.404159179	-1.044510625	0.102292916	-3.6401529	-2.748583756	-2.106674386	-3.008998363	-1.834498091	-2.863669374	-3.502984114	-1.091722068	-2.623859449	-1.6594159	-2.097224809	-2.270121998	-2.409275867	-2.666888855	-2.364430069	-3.493829346	-0.437470566	-2.010835788	-2.757256856	-2.997930974	-0.226249554	-2.531259042	-2.007819098	-1.801783863	-1.575739123	-1.467887028	-1.016795576	-0.564011018	-2.480669319	-1.949710298	-1.676958108	-0.991018624	-1.998207601	-2.562762403	-3.350658098	-1.439719312	-2.061165165	-1.896918547	-2.689565034	-2.848669046	-4.13035763	-1.882616588	-2.046283199	-4.062943413	-2.534201271	-1.694913848	-1.809819311	-1.667796295	-1.958448216	-3.81186677	-3.081051084	-4.248784076	-1.73955858	-2.233366038	-3.22637613	-0.547525958	-2.316002579	-2.75917552	-2.442435176	-3.098263696	-2.934208667	-3.255526979
PC 44:12; [M+H]+@4.88	-2.70424963	-3.912556221	-2.580550028	-3.288989721	-2.353814132	-3.782858174	-2.234318579	-5.045523066	-4.447896384	-5.774654807	-4.200499865	-3.169231272	-3.648235924	-3.5049894	-3.43251977	-5.826258849	-5.509201118	0.114678245	-4.291754748	-2.869060339	-3.754385566	-4.106064224	-3.108267589	-6.168993618	-4.108613424	-3.005891789	-1.868129882	-2.063065765	-3.515558425	-4.548933987	-2.199015029	-5.699017089	-2.96898421	-3.552090514	-4.507147559	-3.883067478	-2.707968488	-3.818570684	-3.742479729	-4.267854758	-3.011316647	-2.233374132	-3.200674487	-3.128777266	-3.144125773	-1.562978494	-2.682809456	-4.15879071	-1.896026045	-4.456205802	-2.04142375	-3.332115879	-1.878375137	-2.653042209	-2.145637684	-4.605964741	-3.580174295	-4.891805393	-3.555300985	-5.003475774	-2.540614296	-2.110553147	-4.171094297	-5.121747777	-4.856708303	-0.489515547	-5.130593236	-4.327163328	-4.774274056	-3.426348955	-4.152663999	-4.360179493	-3.538637278	-4.598503152	-2.149020555	-3.224774778	-3.327173838	-3.676139932	-5.382516017	-2.699743333	-1.311195729	-3.407524761	-3.432699886	-3.472356909	-5.004674863	-4.812373312	-4.723993536	-3.611862775	-4.09410567	-3.164765718	-3.807563429	-3.014405235	-4.25581237	-3.808390957	-4.15527499	-4.94153693
PE 30:0; [M+H]+@5.40	-1.544743389	-2.524691093	-0.801814249	-1.622582382	-1.972080474	-1.266719669	-2.737113653	-2.217249741	-1.182643141	-1.722269891	-2.225516132	-2.470176844	-1.097417616	-1.257917115	-1.266273638	-3.763678389	-3.679554199	-1.5391599	-2.303698336	-1.373905227	-2.694034173	-0.897809548	-2.192631563	-1.524053752	-2.106974466	-2.555835475	-1.45114837	-1.690419823	-2.131483175	-1.851146317	-2.586633185	-3.642941166	-0.463876242	-1.175331562	-2.288140888	-1.822167155	-2.355320567	-2.211819773	-1.852719044	-1.549788905	-1.616734261	-2.27976604	-3.610406195	-3.133371627	-1.373971527	-1.151854253	-1.515549119	-1.14062359	-2.411017277	-2.527646118	-2.72072418	-3.468044902	-2.223846351	-1.979162468	-1.822297275	-3.134776519	-1.136610002	-1.945121447	-3.08230026	-3.061736027	-0.795221362	-1.145756199	-2.430742997	-2.968939027	-2.463653323	-2.818420373	-2.473003682	-1.236398365	-3.67565856	-1.136179522	-2.623186836	-2.612969417	-0.795553197	-2.738015644	-1.86239504	-3.303703204	-1.80468002	-2.234022109	-2.482213452	-2.043167396	-1.894175684	-2.658774662	-2.466682126	-2.502151254	-2.533189443	-3.371531298	-1.463295797	-2.583927557	-2.11331425	-1.540354286	-1.764717159	-2.166838022	-1.549399487	-1.766714998	-2.41745649	-3.243189551
PE 32:2; [M+H]+@4.98	-0.822026868	-1.543131543	-0.189420287	-1.476431997	-2.48348193	-2.216776631	-2.152444541	-1.185990944	-2.454639552	-2.472099883	-1.792099662	1.265984863	-2.08692087	-2.420888584	-2.09753334	-3.881908926	-4.502026673	-0.619999119	-1.662620044	0.451295237	-2.285540563	-1.121063871	-0.994809945	-1.534676925	-1.033618377	-1.358278407	-1.254221883	-1.378707395	-1.049839998	-1.807199208	-0.943986019	-3.086796552	-1.531844639	-0.156097189	-3.078134191	-0.007476535	-1.368636202	-2.522771376	-2.832645538	-1.007985803	-2.919925221	-2.650603496	0.302909306	-1.542271401	-1.750501597	-0.694007637	-1.84813402	-0.78106658	-0.876517921	-1.754268881	-0.12641327	-0.591202185	-0.364013251	-0.639026089	-0.680498655	-2.013353164	-1.312931763	-1.301948935	-0.563966006	-0.371166651	-0.329505729	0.426849134	-2.469399814	-1.187754021	-2.019712962	-2.356753051	-0.480639604	-1.187314419	-2.861062188	-0.085447023	-1.252770914	0.228239538	-1.493892593	-1.126400179	-1.406467791	-1.966843391	-2.974327714	-0.842825265	-1.086834211	-0.340986071	-1.308768535	-1.004722836	-2.717497678	-0.918372061	-2.069595494	-2.371949516	-1.965113908	-0.718432027	0.44832122	0.899960795	-1.398412544	-1.495681281	-0.831333333	-1.559769153	-1.756208937	-1.548557401
PE 34:0; [M+Na]+@6.695	5.612796234	5.615330095	5.804287922	5.622817922	6.034867273	5.668473651	5.055164102	5.590773564	6.174306528	6.196144633	6.567942847	5.156146144	5.014651419	6.736261328	6.548478318	6.603856038	6.895111753	5.999424779	6.696374642	5.699810584	5.411929073	5.466359843	5.239685804	4.980451185	6.099751166	5.50999032	5.487704242	5.337317162	5.75202754	5.180740838	5.190028234	5.670815873	6.157127764	6.595241911	5.269709451	5.864971448	5.617391554	5.395089363	5.308941937	5.231871827	5.248000069	5.23771055	5.191022828	5.001739345	4.896878598	5.191155852	5.33881504	4.995563369	4.7945621	4.778212893	4.457794973	4.75954597	4.607921826	5.318595543	5.268804078	4.061711601	5.657027351	5.32247561	5.650078655	4.588339967	5.130361744	5.408352042	5.597909825	5.667291194	5.777854726	5.454011968	5.468729253	5.573071417	5.5804717	5.071904449	4.857334568	5.179143113	4.833676481	5.121881594	4.870218988	5.02828894	4.874776781	4.801674533	5.063261894	5.367650047	5.427000999	5.937235203	4.919404855	5.122872965	5.944357134	5.469553374	4.958555068	4.919748695	5.091918427	4.643206966	4.95297878	5.085513321	5.061902196	4.824613744	4.566830223	4.889346728
PE 36:0; [M+H]+@7.3925	2.332318246	1.784967029	2.26425012	1.991608897	1.608499229	2.118672267	1.169331786	2.456044733	2.053989506	2.240670624	2.636252023	2.017032309	1.614537	1.538934097	2.093858131	1.91874061	0.207221222	2.885482167	3.234013136	2.09946062	1.781723002	2.24684712	2.354970161	2.17282209	1.916997845	1.74574495	1.09923913	2.69085145	2.575069194	2.501073251	2.592519208	0.991075566	2.489393138	3.513239392	2.187118893	2.078828161	1.333550234	1.860329316	2.027809375	2.614559617	1.561995807	2.363128572	2.846495798	1.674665055	1.592020794	3.259337104	2.738272125	2.889731826	2.731200954	1.273984832	1.867022587	1.408451778	2.231232193	1.680658377	1.476815099	1.866787316	1.965825545	2.255364357	2.426817083	1.661155333	2.177501317	1.898822094	1.311028835	1.546981053	2.15823533	2.686631439	2.333148323	2.418414226	1.445887027	3.859700624	1.975492033	2.866704195	2.768703421	1.318581326	1.477759663	1.974867052	2.21234946	3.190157863	1.027123258	1.749070132	2.102147211	3.209432581	1.835782071	2.77000505	1.10196627	0.912636308	1.889561384	2.811053981	2.568191881	2.875739311	2.32915133	1.218642449	2.110416394	2.773877061	3.066183703	2.333656611
PE 36:1; [M+Na]+@6.77	2.018885136	1.689450382	2.444255858	2.023308727	1.756298118	1.878501082	1.232066978	2.571065255	2.657479595	2.366455989	1.909390145	1.970196965	1.754660207	2.054067681	2.545623965	1.138179307	0.96843685	2.773750747	3.07743928	2.014533816	2.141463937	2.541365842	1.744131344	1.720433191	1.653185909	1.816903845	1.49466784	2.155458741	1.862460556	1.61854081	2.129977145	1.553266505	2.866214014	2.49896851	1.986487999	1.728734799	0.947892554	0.641428649	1.445237912	0.738618186	1.354357184	1.343889595	1.446920997	1.811933184	1.786637278	2.113243707	1.776948797	1.853050345	1.372074285	0.829406464	1.042699989	1.313493747	1.466836393	1.647118981	1.678466752	1.405922901	2.217020676	1.788849092	2.620851275	2.051525045	1.938113045	1.996144736	0.719103076	1.756157569	1.822176849	2.233536305	1.774673301	2.233558406	1.083311594	2.772529274	1.320509743	1.128807861	1.794424372	1.208899744	1.316687601	1.471003833	1.201562343	1.718477236	1.471661951	2.143768494	1.915778655	2.086111533	0.496497252	1.705228231	1.105343679	1.063926803	1.64073861	0.689864611	2.291464643	2.515238822	1.577228979	1.815322115	1.83919351	1.424708528	1.488627796	1.585547222
PE 38:1; [M+H]+@7.4725	3.906322948	2.339695202	4.363128942	3.437231086	2.031459455	2.85469536	2.333648541	2.917722617	2.588635407	2.82987583	1.232031103	3.486171992	2.303729804	3.865482349	2.971955832	1.211285363	2.381359472	3.483829794	4.490857201	3.387409052	3.752995438	3.731986345	2.642840311	1.896397501	3.28135076	2.29382136	0.990115405	3.095435728	2.971419676	2.617828688	3.855328232	3.516173053	4.012480392	4.113109888	2.668371172	2.284788277	-13.76378852	1.478246391	1.433057137	3.287529639	1.118961396	3.026438568	2.134361068	3.047832335	3.114181241	3.345361688	2.844816607	2.626909492	3.927190179	2.230493357	3.558060036	2.714538106	3.0105162	3.20795497	3.342363605	1.859179889	3.179447123	2.914476039	3.411605085	2.375794493	3.707771651	2.981958797	2.121086456	2.622181176	2.443596602	2.818631265	4.744412614	3.617998973	3.343937345	5.234760758	2.378398301	3.360122015	2.518280794	1.918679896	2.085924662	1.511033566	2.777492466	3.537868112	2.685233123	3.725151987	3.093090897	4.071550553	2.470136031	2.707095457	3.246593978	0.930355328	2.65502992	3.55259236	2.815204126	3.656705395	3.029101252	2.788562726	3.595212388	2.269153553	3.113838983	2.323377018
PE 38:6; [M+Na]+@5.735	5.408122973	3.899588418	5.153060192	4.791745217	4.657298072	4.236503701	4.852917652	4.343284772	5.006394075	4.546624217	4.329926942	5.788944893	4.425746099	5.355691614	4.995823178	3.674173994	4.245704611	6.014704567	4.90209752	5.005809841	4.848551203	4.524884155	5.21081086	3.731395902	5.194959695	5.041099978	5.087435713	5.115300725	4.561139797	4.573093159	4.043602498	3.922767352	5.614240865	5.160698152	4.500853067	4.982997097	4.734307504	4.706758692	4.422972149	4.896131294	3.998468626	4.627506044	4.603487359	4.787463879	4.324716692	5.658131139	4.860768816	5.276311134	4.222477454	3.401181208	5.169339791	3.896011048	5.051714325	5.108582125	5.400199205	3.778933421	5.063267429	4.70552904	5.780368358	4.608836519	5.057064507	6.159850945	4.194278183	4.705344134	5.315638295	5.584213042	5.018336736	4.982581043	4.528134798	4.843177561	4.842027724	4.548114131	4.679672879	4.52237964	4.929535013	4.233586897	4.318038771	4.494785343	3.921229387	4.556835656	5.225592835	4.117187468	4.198781158	5.179473097	3.457777608	4.275721975	4.314935046	5.22587694	4.068796791	5.214732985	4.98566173	5.077511508	4.737887464	4.561310439	3.784501046	4.533924233
PE 40:1; [M+H]+@7.88	1.23077191	0.161292461	1.283115464	1.452341132	0.541010677	0.47892303	0.473227936	0.840735959	-0.417103647	-1.029304573	-1.043737118	-0.043956818	0.54420602	0.321331005	0.547144691	-0.685992708	-0.853058928	2.242043768	1.176530768	2.449524243	0.777491119	1.57867191	0.888788366	-0.597973895	1.153718506	-0.007830363	0.338443652	-2.812183515	1.065745679	-1.062007383	0.677682435	0.691245282	2.338822013	2.313946736	0.555389868	0.409867786	1.330780226	0.175283748	0.040945701	1.018866876	-0.799026582	0.872185519	0.780994985	0.04903828	0.706716924	0.724614084	1.312193748	1.237670705	1.065057714	-0.726913348	0.444943184	0.775332955	0.567574618	0.978588162	0.550593067	-0.136162586	1.584601452	0.497234091	1.877945871	0.60828112	1.142508181	1.41770639	-0.046275065	1.474894298	3.254477545	1.267409479	1.150490025	2.073122419	0.220997454	3.921207447	0.836304163	0.706061498	0.943184478	-0.248847989	-0.080089635	0.066573932	1.049280186	0.59699966	0.226110157	2.451091131	1.345959651	3.934430015	1.130106394	0.696635456	0.043401415	-0.324545546	0.607919043	0.780138223	1.325609996	2.072626959	0.495360614	2.314457262	1.067991328	0.241112235	0.155928482	0.589663173
PE 40:2; [M+H]+@7.6525	2.31362984	1.440530551	3.039346514	1.565067982	1.4723131	1.628554861	1.090330465	1.759125617	1.834134276	1.183523283	0.307803153	2.505410847	1.201633951	1.587971646	1.460023306	-0.3156345	-0.208371499	2.145865604	2.113626222	3.606199876	1.363642267	2.671908968	1.698590437	1.441441549	1.877850261	0.732074158	0.528400288	1.581208733	1.082377123	1.714210725	2.044504729	1.412273484	2.072696465	2.417770673	0.959737752	1.626883781	2.319359534	1.177763245	0.934344946	2.11265549	0.157953108	1.774346095	0.274478567	1.352129372	1.186901405	1.945746658	0.718254995	1.967426549	2.320238448	0.796392179	1.791122902	1.255749671	2.546984849	1.656174473	1.460592643	0.470760545	1.997510951	1.57921718	2.388084531	0.479404444	2.176173372	2.44532564	1.203019287	1.799000328	3.391563425	1.639471053	1.440582956	1.930373417	0.747485548	4.454037031	1.145709132	2.090147762	1.690334684	0.825269153	0.032081798	0.717584619	1.55223585	2.601859708	1.534123827	2.918193762	1.52603921	3.719055851	1.948149069	2.139472014	1.228874242	-0.690288478	1.684159322	2.562418654	1.235200788	3.093147362	2.346502551	1.153976737	2.311954734	1.03897602	1.565455988	1.386133809
PE 40:3; [M+H]+@6.93	1.382577915	1.842697378	2.094011764	2.457111686	0.620763731	1.825996733	1.359970926	0.588198688	2.151728983	1.023496776	1.045674825	0.833448889	0.679689277	1.618948885	1.303939362	-0.317089532	-0.057713326	1.407910456	1.095675313	1.81096827	1.326153031	2.050971522	1.491853967	0.736257539	1.104740159	1.487975194	0.526068203	1.27442413	0.146871765	-0.111742514	0.403384759	0.513892341	2.615012849	2.869191982	1.484297824	1.019186561	2.021706613	1.311158215	1.576646559	0.571347426	1.514858481	1.208539582	0.247473151	1.421886273	2.179724558	1.891317822	-0.229990386	1.474525842	1.76064053	0.20705408	1.187273561	-0.005763514	1.045261516	0.896487404	1.325973236	0.18300382	1.483407328	0.752395868	1.998739127	0.141844337	1.812343081	1.35229174	0.749984656	0.505743664	0.94075441	0.3655649	0.964893362	1.978320971	0.580010724	2.947737626	0.999576616	1.429417159	1.51304928	0.28342097	1.165984206	0.858586582	0.382843607	1.907170576	2.026125167	0.793632907	1.501167535	2.479744615	1.042041485	1.214274996	1.364877874	0.790391545	0.256072353	2.045223714	1.089007621	2.85318188	1.637681806	1.385037396	1.962051488	0.085876412	1.860662144	0.411025711
PE 40:4; [M+H]+@6.94	4.404595166	3.81837382	4.135054207	4.326879122	3.406795122	3.648296604	4.028938759	3.70741163	3.528738701	2.915293453	4.470883508	3.504469022	3.630791337	3.725687805	3.312076965	3.30895128	3.605603563	2.523905864	3.126239414	3.425670244	3.580475501	3.513126325	2.876600801	2.597964627	3.008005784	2.66792699	2.983434677	3.092388516	2.481736671	3.633318732	3.715716911	2.693485722	3.990953344	4.582315371	3.233064035	2.936057213	3.513377424	3.515480932	3.154503691	3.03159898	2.938317795	3.792136528	3.033189177	3.628050256	3.123358536	2.489329168	3.525143915	3.099181538	4.00200932	2.615917872	3.629612173	3.128107674	3.245308386	2.752808344	3.853258115	2.767349067	2.901930823	2.241055314	3.326354281	2.158490856	3.816786462	3.496721262	2.640477792	2.609344008	2.539026915	2.483302969	3.386593888	3.586564379	2.459739817	4.136550559	2.766068371	3.016020448	2.314170131	2.4184808	1.257238595	3.283340358	3.272259195	3.488049509	3.619917938	3.631399935	3.541462233	4.330297757	3.656237783	3.363460672	3.123389538	3.490813736	2.032488952	2.861138674	2.801538528	4.613976695	3.159498789	3.124885024	3.465879454	2.87527523	2.411182765	2.255846215
PE 42:1; [M+H]+@8.45	0.830885641	-1.248935195	-0.688511475	0.286361935	-0.274404486	-0.565238737	-1.059421294	-1.210812666	-1.3988768	-1.649233436	-0.462375049	1.288247096	-1.378662092	-0.53083733	-1.192393368	-0.689945633	-2.063601717	1.088445077	-1.990138016	0.538015723	-0.53445555	-0.796759634	-0.035083349	-2.09697518	-0.33531677	-0.558672875	-0.634830326	-1.184919909	-1.320984635	-2.04740481	0.422614769	-0.742468011	0.9222684	0.121489084	-0.949731389	-1.716470826	-0.118607396	-0.526532727	-0.684245373	-0.723770275	-2.086404759	0.207524468	-0.245323234	-0.796722121	-0.710458774	-0.292591406	-0.309958972	-0.60672582	0.868878753	-1.381047008	0.188249221	-0.504746115	-0.106351415	-0.475371061	0.774610602	-1.550764435	0.33094999	-1.052602927	0.650721422	-0.76891819	-1.122739617	0.646239684	-0.725862617	-1.113790848	-1.131446775	0.166442267	-0.198687193	-0.479614964	-0.997930223	1.651880638	-0.904280607	-0.336607319	-1.121722326	-0.869694482	-1.825447948	-1.007457089	-0.916725545	-1.193517482	-1.440431496	-0.02501572	0.037788631	0.406191494	-0.532397359	-1.796486083	-1.268213018	-0.976433405	-0.953111837	0.694642899	-0.353944883	2.155747709	1.182133544	-0.42104208	-0.598545135	-1.152667198	-0.33581781	-1.276550333
PE 42:2; [M+H]+@7.89	0.342421896	-1.365963594	-0.118907114	0.098101889	-0.118862378	-0.496819908	0.276661524	-0.704170644	-0.432806613	-0.477794032	-0.645693804	0.719450219	-0.854324211	-1.353720317	-0.09271978	-1.480749117	-1.411066559	0.541538093	-0.981454474	0.379872649	-0.753704498	0.153485493	-0.761296699	-1.664953895	-0.90206223	-0.393043589	-0.585954889	0.009223969	-0.105241642	-0.594903635	0.273508211	-0.11319381	1.044970978	0.079930597	-1.291349599	0.428416351	0.160033742	-0.127953396	-1.7753466	-1.246187997	-2.220486496	0.267608503	-0.678385968	-0.12965332	-0.935400707	0.149249581	0.838271443	-0.147915787	0.032726144	-0.8860486	1.097710101	-0.382075807	0.322778293	-0.269747033	0.91084929	-0.949788964	-0.891247518	-0.884633682	-0.467589623	-1.006623858	-0.30311864	0.632662797	-0.964104264	-1.187541605	0.040330206	0.34905569	-1.838272225	-0.103243551	-1.205081383	1.9373919	-0.37194119	0.417675103	-1.15907229	-1.197144078	-1.876641682	-0.547982279	-0.026116322	0.184759762	-2.041750567	-0.225985515	0.627067583	0.706512193	-0.083835922	-0.237137191	-1.685814694	-0.839804803	-0.405356222	-0.12210331	-0.480864264	1.013509554	-0.180631582	0.213524919	-0.200917052	-1.819064484	-0.209899839	-0.555531187
plasmenyl-PC 18:0; [M+Na]+@1.34	1.081868912	1.364316515	2.225173098	1.068359132	0.228183547	0.383092082	0.513713434	1.311886452	1.339527163	0.366094696	-3.922923682	1.631868635	-0.357042227	-0.279611091	0.808362267	-1.676445719	-1.244945294	2.021453234	0.401165586	1.947614978	0.87478967	2.680350797	-3.786380216	-2.604715379	0.74164571	0.222960499	-0.006242397	-1.168291558	-1.813902444	-1.83630806	0.066206791	0.702974	2.741000507	2.44730549	0.134216579	-2.236530097	-0.384085904	-6.264615521	-2.638000651	1.877565723	-1.909537406	-1.230945726	-0.763791087	-0.019257843	0.927885202	-2.522200196	-1.097578224	-1.684449138	-0.382113555	1.638390069	0.893158638	0.619378719	1.188102372	1.10168342	-14.07596279	1.155168629	1.135913688	1.437023852	0.13328185	-1.108324686	1.462499435	-0.206269004	0.136285905	-1.031256014	0.713716158	2.649158892	-0.889218984	2.130983958	0.520813175	2.613436645	-4.965337466	-1.772137343	-13.94811623	-1.979381555	0.591875283	-4.968558423	-1.609031619	-3.275106718	-0.564107983	2.675615267	1.147797451	1.485424505	-2.288955288	-1.4834981	0.265640216	-0.389809931	-3.072664914	-5.176023926	-3.337703324	-3.185530097	-1.037017128	1.791556726	0.796634106	-1.79517018	-5.795400479	-4.806988282
plasmenyl-PC 20:0; [M+Na]+@2.02	-2.484298378	-2.21952078	0.189343879	-1.056859838	-2.536162305	-1.83062325	-2.45104714	-1.208585982	-2.010471464	-3.234187473	-4.23234239	-0.377154313	-1.395862407	-1.609868925	-1.69592423	-5.700254013	-6.122677731	0.074048988	-0.84226008	-1.644859156	-1.73188523	0.695359426	-0.306696264	-2.77344527	-0.730913222	-1.253507695	-2.061803806	-0.015968327	0.297956597	-0.053115807	-3.147670204	-1.156655759	0.991690634	1.306517777	0.871607553	-1.031421608	-1.956359159	-2.106601057	-3.285788192	1.015848836	-2.868963336	-0.378721423	-3.467119147	-1.691495192	-1.19426386	-0.20658764	0.186139104	-0.817394669	-2.720025875	-0.34508477	-0.838388773	-1.307597864	-3.509340903	-0.743962449	-3.273593081	-1.673820751	-1.512825425	-1.68921108	-2.395649786	-2.661094567	-0.463469248	-2.041879072	-2.899106347	-3.010790634	-1.840070977	-0.693722873	-4.645406034	-0.001432509	-2.127267238	-0.182886258	-6.102111921	-2.249892371	0.860642468	-2.346093158	-0.470507138	-3.385616246	0.237603234	-5.794653822	-2.558165811	1.025349398	-0.658554169	-0.712957038	-0.983881793	-2.428962229	-2.449755753	-2.899868829	-0.36060727	-0.986641431	-2.398150574	-1.570576535	-1.921496666	-1.999662824	-0.842012005	-0.721960596	-1.462341348	0.187955867
plasmenyl-PE 32:0; [M+H]+@6.41	0.308241613	1.34115602	1.498351155	0.17631031	0.594549881	0.041005564	0.781501008	1.085973682	1.21712917	0.148728885	0.958594517	0.200331885	0.771329706	0.243299585	1.469364121	0.501724554	-1.264740151	1.148112144	0.341975243	1.038436148	0.832810627	1.693255679	1.372076364	0.295547308	-0.229165847	0.397511346	0.677570619	1.377220853	1.608474067	1.478880859	0.567459228	-0.410589715	1.973066805	2.145297948	1.574668786	1.398215832	0.619580426	1.196604163	0.828230239	2.012138486	0.95829646	1.304473161	0.905125781	0.116046638	1.385635469	1.750625299	1.593512606	1.099125007	0.380787858	-0.280873171	-0.69756581	-0.367722606	-1.576819703	0.404575473	0.462436562	-0.102297528	1.390067386	0.965003906	-0.121218368	-0.714303545	1.647287915	1.011039183	0.123751331	-0.541776236	-0.651384629	0.619949262	0.257609768	1.282126243	0.14504826	0.718205589	-0.5042929	0.942826168	1.942383238	-0.336571132	0.653243523	0.170482079	1.336178475	1.537611731	0.959797069	0.859430178	1.511243609	0.513311359	0.60078668	1.983767401	-0.579932618	0.087897088	1.933670123	1.323561838	0.429490204	0.423387083	0.976248386	0.470223574	1.457538705	1.144122862	1.313349818	0.988411441
plasmenyl-PE 34:0; [M+Na]+@7.035	-2.680551976	-2.373732885	-1.92349292	-1.968973121	-2.733487126	-2.613103015	-1.837331114	-1.442402742	-1.295898804	-3.385840936	-1.834113791	-3.002714789	-1.93998275	-1.246838955	-1.256785834	-1.583530889	-1.764631095	-2.388335949	-0.830106082	-1.382621663	-13.76378852	-1.775154844	-2.066169706	-1.311256249	-1.236112698	-1.544771083	-2.250088501	-1.678349319	-2.221283148	-1.530612669	-2.557281836	-2.187323288	-1.903805551	-1.355990131	-2.101509099	-2.317161557	-2.348847055	-2.406788116	-1.462917	-1.777315613	-1.918960059	-1.732909518	-1.56190796	-2.145626269	-1.923860636	-2.016258995	-2.983185706	-1.443102836	-3.97151692	-3.12518735	-2.509252076	-3.420756533	-2.945901996	-2.282553955	-1.567395792	-2.149633695	-2.561753314	-2.010417939	-13.92077364	-3.395133537	-2.422702946	-2.095753607	-1.785292926	-2.813342644	-2.111353286	-2.506635322	-3.627883997	-2.136129952	-2.393672993	-2.138750385	-3.816781042	-3.293115209	-1.584274933	-2.387527875	-3.575644021	-2.810869664	-2.770923349	-1.959112897	-1.559546375	-1.800773915	-1.959823143	-2.129926953	-2.776061256	-2.665027796	-3.014414332	-1.452862298	-2.367326365	-2.13621708	-2.833594654	-1.982911412	-2.66040952	-1.658473806	-2.042791836	-3.414862409	-1.920261701	-3.127079056
plasmenyl-PE 34:1; [M+H]+@6.45	5.864306319	5.628257253	6.602592264	5.588488337	5.196079323	5.389971026	4.550132262	5.960132443	6.146855214	5.451571934	4.970041382	4.917402663	5.386674693	5.205976562	6.017859032	4.729066785	3.763829527	6.102674625	5.805948792	6.836313811	5.090987099	6.502131289	5.589065652	4.819490269	5.837546062	5.781182571	4.61204339	5.965335786	6.487727725	5.340252311	5.690071203	3.911854538	6.414836025	6.796793308	6.148197326	5.190593212	4.732240349	4.980758311	4.760514244	6.753570006	5.080362761	5.176582654	5.416362785	5.124448691	5.857188122	6.553310703	5.673464261	5.265669481	6.181450045	4.887535292	3.811656438	6.085229334	5.090585799	6.08666336	6.355569813	5.238656842	6.272920475	7.002011219	4.66632327	4.434128748	6.408059977	6.041441995	4.313118181	4.784582983	4.210918758	5.542168779	5.87732613	6.096771675	4.502046834	5.48900607	3.87198552	6.104997394	6.890817801	4.870826429	5.496688438	5.244920343	6.337046349	6.484995925	4.407003573	5.8105262	5.657287325	6.614853978	5.051068724	6.659517865	3.357422154	4.13913279	6.313226289	6.096711404	5.780340525	5.187870256	6.180487437	5.693496752	5.677964567	5.660758912	6.786763335	7.022885406
plasmenyl-PE 36:1; [M+Na]+@7.075	5.359088429	5.008981513	5.678531606	5.036665205	4.756115239	4.520980615	4.35908252	5.310800422	4.957494673	4.507681484	4.624544068	3.941366351	4.826570306	4.645484134	5.160676681	4.389724627	3.856292427	4.755202511	5.287683997	4.754560953	4.776089985	5.195962648	4.374675874	4.167833201	4.8477991	4.586642219	3.880735905	4.664008977	5.028861913	4.510209013	5.685290612	3.203123981	5.506881163	5.8026483	4.80873421	4.093382251	5.040967005	4.094803724	3.845584707	5.066429412	4.583323387	4.457246073	4.829942052	4.627088794	4.611452128	4.812327034	4.464925284	4.328403622	6.007918821	3.726741247	3.770904009	4.643854686	3.5504213	4.439262998	5.135808008	4.010618251	4.99967828	5.067343995	3.861853191	3.377529296	5.568172878	4.980253009	4.242602943	3.579594333	3.395380483	4.291240204	4.666976685	5.128678013	3.896050672	5.142918967	2.478981307	4.745527064	5.069168034	4.124230119	3.901028442	3.440715248	4.941255866	5.393389865	4.664336794	4.991087139	4.797605023	5.760185764	4.368063468	4.22118834	3.676533113	4.078556802	4.704798045	4.619724248	5.176328464	4.19372284	4.736551322	4.592146501	4.730418616	4.358868892	5.067943677	4.545225766
plasmenyl-PE 36:4; [M+H]+@5.85	7.866528571	6.477422768	8.047057337	8.176719643	7.522958843	7.273277907	7.473594728	7.710329426	7.604206303	7.271921688	6.961350373	7.414065145	7.287254612	7.361974088	7.542832947	6.663225774	6.506207317	7.573703138	7.565245718	8.032913396	8.369152303	7.937010843	8.38025483	7.284686209	8.063585515	8.036929286	7.53075028	8.306629895	8.259020777	7.871145123	6.771448541	5.886855475	8.884033602	8.907591177	8.008994208	8.089739359	7.975377233	7.754610593	6.754138655	8.509615028	7.126132456	7.677384695	7.253266488	7.529606636	7.902849553	8.302283627	8.325482107	8.069160282	7.174108406	6.465636196	6.03146014	7.448279408	6.608436661	7.29603186	7.980030989	6.735064072	8.216291008	7.736443482	7.437266995	6.763982578	7.992423809	8.043321519	6.89787921	6.433708916	6.68370684	6.804683865	7.217660899	8.226046401	7.531561558	7.59548187	6.578304813	7.903287019	8.040003179	7.289185857	7.268190285	6.955446983	8.132176946	7.974400067	6.398397326	7.92496828	8.670415039	7.549330881	7.07766042	7.636448371	5.934712797	7.298222045	8.087240972	7.756530539	7.011890064	7.683660233	7.441247689	7.679438125	7.757165993	7.647393728	7.304509503	7.907506934
plasmenyl-PE 36:5; [M+H]+@4.04	-1.533584567	-2.763658778	-1.717331767	0.735501242	-3.517761558	0.490000398	-3.844615794	-2.752950805	-1.75837004	-2.146110941	-2.680485873	-3.43663073	-2.745855635	-3.346524674	-2.564675571	-4.358258046	-4.637892221	-1.416391222	-3.992350661	-1.397971492	-2.826875946	-2.690153566	-1.759318811	-4.758364356	-1.030259638	-2.474561397	-4.664725973	-2.130568982	-2.116445148	-2.360101324	-4.657086979	-2.432767666	-1.705767312	-0.328569167	-0.575351568	-0.654886009	-3.426151288	-2.444311865	-3.256140993	-1.860522339	-2.741479879	-2.533791083	-1.727909337	-3.061077766	-2.514976687	-1.230914905	-1.828136953	-3.000522881	-3.394414563	-1.813102266	-3.741943762	-1.72149644	-4.577308749	-3.598087027	-1.550327532	-3.207488426	-1.729363873	-2.236784669	-3.211124434	-4.709930191	-2.222448149	-3.084438933	-3.178655033	-3.993818005	-4.53095128	-1.404880535	-3.988588216	-5.726697668	-2.230393677	-3.274678168	-4.808740618	-3.826979886	-4.009587427	-3.264124983	-3.453308121	-4.78501975	-1.894811904	-2.798290778	-1.928911636	-1.956753147	-2.149771071	-3.768580221	-4.548146993	-2.482988726	-3.672741643	-4.495257681	-2.135660291	-3.589331916	-3.746214738	-13.94811623	-4.605625699	-3.172527818	-2.986706808	-3.315740436	-3.02472529	-2.634824508
plasmenyl-PE 36:5; [M+H]+@5.50	2.718008175	1.566365515	3.164752132	2.487522708	2.319537075	1.714830548	2.456283128	2.201196574	2.428582297	1.955690481	1.092666011	2.777930687	2.42077286	1.802693205	2.348432329	1.040153383	1.175116375	6.275697085	1.644433062	3.36987798	2.797848	2.702953246	2.446368238	1.486939407	2.480985716	2.700158186	3.683491152	3.022203171	3.145007309	2.149025068	1.224928605	0.968220273	3.225037101	3.392562085	2.332175738	2.956210124	2.728719393	2.375360347	2.326007182	3.219901347	2.032825466	2.536797053	2.323696028	2.558791716	3.055088416	3.669124	3.087187672	2.808263345	1.804603288	1.626313532	1.401356956	2.476573883	2.286557461	2.483899401	2.856001891	1.295909063	3.042816879	3.180022464	1.804064936	1.779493908	3.443518192	2.781906435	1.929118414	0.766364806	1.213337918	5.586254228	1.2751285	3.143515183	2.292128686	2.237275586	0.936858583	2.237014704	2.332586461	1.853842003	3.430329007	1.284592693	2.408700684	2.390312676	1.229602915	2.840218959	3.320524341	1.791388496	1.682650207	2.489079975	0.686835862	1.980491173	2.741341291	2.193340164	2.401578913	2.150809959	1.959013285	2.639170036	2.974341383	2.761889543	2.528802471	3.348088015
plasmenyl-PE 38:1; [M+H]+@7.67	2.350891368	1.703397	2.754906139	1.956130985	0.712219503	1.364313278	2.034690757	1.655257448	1.027172481	1.012461494	0.78748576	1.371790764	1.12712247	1.896598838	1.460308066	-0.699855382	-0.6890458	1.266906954	1.971182153	1.602731441	1.39481868	2.552317725	1.319685299	1.018715416	1.659581573	1.528997662	0.758645978	1.425593843	2.147204983	2.081988894	3.019207869	0.052469238	2.181312089	2.512237372	2.251268782	1.415074701	1.875266455	1.445904489	0.344263092	2.256615815	1.197991507	1.174937641	1.555489833	1.917541695	1.937036591	1.932221397	1.231409687	2.10420925	3.269387203	0.649630575	1.060442797	1.596508189	1.04759578	0.918794138	2.357091038	-0.215005649	1.969080299	1.791249188	1.222551067	0.173790596	2.58532075	1.950265453	1.553651594	0.578844727	0.813535906	0.969321283	1.373079213	2.07185616	0.997658049	2.381279197	0.20140557	1.029007658	1.999496256	1.218255645	0.896063793	0.184813321	1.486937558	2.84169981	2.018201015	2.217855698	1.308056927	2.969879626	1.146135234	1.104331225	1.21994947	1.023103351	1.780844062	2.338533041	2.192571444	0.969148753	1.690771706	1.893347399	1.789218263	1.195405214	2.364464171	1.358876471
plasmenyl-PE 38:4; [M+Na]+@6.875	7.60148854	7.192584582	7.488507928	7.646011702	7.643640147	6.827009286	7.207269329	7.708789294	7.349456028	6.85712105	7.883141849	6.214606628	7.31367666	7.030924077	7.345485937	7.026471334	7.679793928	6.637218409	7.868640104	6.628949097	7.875557779	6.843610844	7.469713218	7.119294659	7.312640826	6.981620432	6.968715432	7.537268921	7.116444394	7.475019417	6.361204592	5.407638328	8.196128366	8.031723253	6.908547173	7.115706288	8.000395083	6.967786359	7.104406073	7.187551693	7.415060044	7.217412097	6.967048883	6.875653329	6.907677013	7.162332534	7.564129762	7.163732714	6.884362516	5.885349086	6.43391868	6.439895733	5.761049262	6.527848026	7.16298259	6.231399582	7.046491526	6.536201662	6.677877109	6.026080246	7.316878787	6.800001364	6.49702344	5.483224579	6.068851952	5.787037896	6.510037002	7.464420167	7.062369816	6.734119494	5.303232171	6.667308054	6.644795467	6.715769346	6.150989069	5.656540633	7.239630651	7.00819831	7.152396518	6.925612548	7.91215714	6.725068927	6.267925374	5.759742622	6.592914873	7.172950337	6.392639617	6.847972709	6.071418961	6.69590561	6.27817999	6.612170491	6.737818052	6.582665628	6.225272869	6.087188635
plasmenyl-PE 38:5; [M+H]+@5.91	6.507835364	6.711635878	7.407107589	6.890813034	6.781076003	6.49728804	6.872906486	7.55112414	7.272174042	6.222484581	7.151751474	6.219706218	6.864692979	5.886473006	7.175099697	6.415192898	6.154954132	7.302028442	7.21222485	7.567365981	7.120396741	7.185850657	7.366872138	6.9554514	7.154864386	6.774196611	6.813232548	7.701066425	7.078698466	7.323090404	5.484627723	5.1660975	8.015845715	8.123081538	6.645491829	7.419782738	7.476165224	7.103804792	7.128338642	7.647850102	7.2008062	6.813882253	6.84695167	6.529629181	7.226445499	7.409253426	7.559021948	7.187527521	5.905815516	5.785836567	5.963677626	5.971420931	5.488592169	6.582638412	6.985502161	6.301154621	7.252408234	7.195281418	6.122254146	5.540994933	7.239650425	7.012418405	5.391111806	5.577591135	5.920132221	5.669090952	6.002715819	7.697133459	6.334755003	6.938024544	5.463304368	6.824016635	7.367591	6.218943132	6.456042505	6.310151591	6.222538882	7.276844671	6.866249054	7.061627125	7.344175352	5.592972716	6.548663068	6.998705488	5.217797484	7.002523491	7.014185779	7.30009172	5.969537679	6.453722701	6.655935799	6.641922262	6.931042747	6.803313358	7.031076145	6.720325838
plasmenyl-PE 38:6; [M+H]+@5.77	6.542568754	5.263082823	6.424026069	6.239377981	6.305572644	5.577759377	6.180561259	6.112026919	6.330075049	5.439477151	5.543114387	5.886387327	6.053183231	5.798782497	6.242285724	5.529807735	4.994467737	7.431572455	5.775754154	7.079108906	6.447155083	5.889059643	6.527012802	4.893342331	6.553658623	6.435420595	6.813259939	6.769768278	6.252623486	5.890869942	5.733352197	4.060153052	7.062048418	6.923639159	6.348632725	6.251053444	6.085367514	6.242424088	6.151426162	6.455693187	6.153249498	5.897698419	6.105524845	6.366576701	6.117748706	6.960549624	6.178669983	6.350573084	5.9015821	4.796536764	4.833464223	5.524950783	5.305684681	6.261689586	6.824675179	5.299827767	6.483608129	6.441515634	5.613254631	5.431926104	6.659430511	6.588559388	5.598728993	5.345180608	5.384272367	6.76864223	6.461610444	6.393194894	5.402673545	5.458180282	5.168106704	5.544585392	6.553169833	5.702711166	6.30235895	5.980453521	6.091224703	5.906035908	5.068641136	6.311875333	6.61461283	5.961490361	5.70215745	6.916508961	3.687204394	6.0050142	6.175658633	6.177391867	5.467938707	5.344807081	6.232373968	6.58963777	6.071687708	6.287639183	5.749802716	6.845686036
plasmenyl-PE 40:4; [M+Na]+@7.3625	5.267312251	4.585982232	4.772437903	5.442762642	4.711617207	4.512339048	5.193018135	5.356254957	4.844049907	3.419486257	5.509430174	4.315143482	3.987730517	4.824573161	4.511846162	4.732806052	5.174693307	2.237878104	4.774630816	4.065286614	5.429188622	3.949289402	4.387343184	4.50984802	4.759271303	4.525085329	4.398722078	4.603072013	4.512173743	5.07414769	4.565974924	2.977698165	6.012816542	5.620237086	4.41708257	4.626398416	4.993102781	3.978799502	4.041539242	4.486530477	4.646746399	4.822533109	4.512166451	4.799039082	4.577550916	3.53008986	4.800737319	4.13995144	5.050575232	3.44790208	3.886224684	4.083516491	3.47505542	3.919728668	4.650571941	3.621719991	4.720878663	3.20517287	4.46629337	3.063969445	3.451765321	4.684379594	4.107496832	3.546272331	3.820337241	1.343249351	4.163388073	4.894011844	3.90969577	4.546852132	2.726922312	4.479987025	3.710099586	4.540392762	3.184290864	3.08695111	4.468301375	4.690093672	4.550822166	4.537157575	5.375234281	4.752702018	4.21919152	2.717568558	3.508076944	4.819462023	3.79647848	3.669177668	3.06100423	4.276159874	4.511626975	4.40375951	4.204485064	3.233229774	3.808248372	3.868162498
plasmenyl-PE 40:5; [M+H]+@6.63	4.31188884	4.706262736	4.968606713	4.179205835	4.071448161	3.843274036	5.070332122	4.697006384	4.765544138	2.782640534	4.787196117	3.911242935	4.358835205	4.742856079	4.462430598	4.344977082	4.754215581	4.445964252	3.517834016	4.555451744	4.674252946	4.743885609	4.130410281	3.910647158	4.020028414	3.856682542	3.82387386	4.713645847	3.463103137	3.549363365	4.143542176	1.78585814	5.001981249	5.479596368	3.468460384	4.219381396	5.254411267	3.982097099	4.4857446	3.455546903	4.640846075	4.00602292	3.852185422	4.437721944	4.230044998	4.052618261	3.756999695	3.716892307	4.153251672	3.518259238	3.919526698	3.608231019	3.125239816	3.978088153	4.552571176	3.176745082	4.049412411	3.810710824	2.64169148	2.790869214	4.623906108	4.220848409	4.189672847	2.336726218	3.227526238	3.95579463	3.605115054	4.127938771	3.303313369	4.445351831	3.010007209	3.766391129	3.344743151	3.000327431	3.41897762	3.089335571	3.469321677	4.153620271	4.397403828	3.819622749	4.501574752	4.582137333	4.035958348	3.247004875	3.792413234	3.682893313	3.377830591	3.800202739	2.504010205	3.125066615	4.32273529	4.326302648	4.368312038	3.755844553	4.148595657	3.802142986
PS 34:0; [M+Na]+@5.90	-2.494393362	-1.62367649	-2.568389797	-2.197596195	-2.315639549	-2.61622823	-2.088503762	-1.927821651	-1.778313441	-1.324777906	-2.76011419	-2.823956951	-2.763240073	0.557993616	-0.667445996	-1.489719311	-0.367268085	-1.858683953	-2.405732499	-1.970744028	-13.76378852	-1.278874532	-3.036203998	-2.405313225	-3.405528516	-1.24261837	-1.697037033	-1.245163257	-1.214027501	-2.268852674	-3.194666061	-2.429022253	-0.820233478	-2.004106407	-1.310420749	-1.616071145	-1.255168254	-2.341154751	-2.221014465	-1.510664318	-2.379433873	-1.521725424	-2.131639233	-2.063430719	-3.842066711	-1.89349897	-2.784389696	-1.979850327	-3.045512847	-1.686209978	-3.602330974	-3.154659993	-4.041707461	-2.574633113	-2.45997198	-1.695963069	-1.055064815	-1.90430575	-2.019293995	-3.345733794	-2.926862496	-2.861423886	-1.577383753	-3.047979826	-1.421592646	-1.573688656	-1.408610473	-1.54073442	-1.806560029	-1.487856013	-3.184300932	-5.676857841	-1.698237465	-1.442153741	-1.617944449	-2.140767354	-1.552587373	-3.329716245	-2.279938023	-2.028053517	-1.321357529	-2.154165453	-3.167781443	-1.958529314	-1.800872469	-2.842420043	-1.538142071	-1.711293515	-3.068299931	-2.471247798	-2.7168279	-3.699444578	-2.153449163	-2.738825029	-1.780560844	-2.932836012
PS 34:1; [M+Na]+@4.71	-1.812708663	-2.383508723	-2.215333388	-0.824495168	-1.340530355	-14.24915584	-0.618308545	-1.764384766	-0.847496909	-1.869763008	0.177807134	-0.842546367	-1.780970086	-1.386311816	-1.882151928	-1.822949782	0.417336	-0.725960552	-1.150262716	0.062710823	-1.299182444	-2.440964094	-0.20182583	-2.563672939	-0.628613887	-1.540640822	-1.165272211	-0.233147452	-1.575392479	-1.645082903	-2.269063313	-2.563477745	-1.287841974	-1.036488453	-1.970803332	-1.581917268	-0.855085924	-0.629584699	-0.768668872	-1.201233575	-0.730992981	-1.452296681	-0.830932246	-1.36161698	-1.126795557	-1.721054721	-1.125121704	-1.387039911	-1.945451367	-3.050540594	-2.367291377	-2.712484363	-2.957388364	-0.765857447	-1.56232379	-2.282887423	-1.023496536	-1.388450338	-1.934240635	-2.3038651	-1.53684384	-2.012020964	-1.720930648	-1.476645502	-1.709838364	-1.787789506	-1.131624959	-1.893749632	-13.99823585	-1.590009834	-14.18227811	-2.240573911	-1.535646473	-1.150568361	-1.091583954	-2.931670722	-1.528229997	-0.945581038	-0.934863866	-1.93317858	-0.87565971	-1.794769272	-0.33321611	-1.002227101	-2.472117954	-0.613687683	-1.720753467	-1.008681437	-1.628451564	-0.584897975	-0.529513146	-14.07596279	-2.380134376	-1.219403906	-2.734325592	-0.996402431
PS 36:1; [M+Na]+@5.42	1.759102535	1.772696857	1.634505975	1.900750051	1.439697753	1.345771183	-1.440270721	2.263132145	1.421429616	1.121370387	2.628410338	1.228254036	1.528226628	3.297256309	1.885638864	2.047717123	3.779824085	3.105849411	4.037887465	1.702280938	4.29115423	3.12344405	1.99134253	1.789310374	4.425516961	-13.79929489	1.844485115	2.509401238	0.321630397	1.997836542	0.723071345	1.455744498	2.195968545	3.185486658	2.186252294	1.442414697	3.210877007	1.081282168	1.898892389	2.263285933	2.640515723	1.070483208	2.367011184	-14.24915584	1.666872855	0.874383984	1.336242315	0.913778333	0.265650545	0.732559611	0.562216103	-0.132970323	-0.056262817	1.321416929	1.396818881	0.93580023	1.734499421	1.106468736	1.025881687	1.404261142	1.712441612	1.614650961	1.151262242	0.517246708	2.56109448	1.633886424	2.207730609	3.233370985	3.377364283	2.475287226	0.827192172	1.247100446	1.454466614	1.21157203	1.420373915	-2.124110505	1.618556675	0.717414963	1.002551996	1.342954038	2.020919251	2.103949561	-14.18227811	0.292772619	2.497373703	1.934337191	1.250721407	-0.754715337	1.743961268	1.219753851	1.752997885	1.677336835	1.453143491	1.868735524	1.310402274	1.387009929
PS 36:2; [M+Na]+@4.94	-0.40555417	0.136938067	0.416291319	0.652247096	-0.678360661	-0.310918091	-0.384590145	0.85992388	0.512321298	0.059434165	0.110626239	0.192344009	0.365299866	0.140911185	0.725133617	-0.563468077	0.886542687	0.268879288	0.369391032	0.723006934	0.336955043	0.747734176	0.694976074	0.304393941	0.663591787	1.035630806	-0.592911316	0.425906892	0.453678733	0.405471955	-0.448881687	-1.505377895	0.263177864	2.301271136	-0.142030557	0.212648059	1.914882951	-0.662576386	-0.10851813	0.47846031	-0.404789825	-0.202567641	0.103126495	-0.001206123	-0.286285135	1.119777804	0.427565241	-0.27693542	-0.790522651	-0.397343456	-1.313658394	-0.575168497	-0.658932821	1.511578225	0.274418184	0.019924734	0.686146943	0.231981568	-0.390123216	-1.095246101	0.319889149	-0.536230311	-0.061221411	-0.896251875	-0.307723672	0.129285417	-1.107450377	0.826593005	-0.422769548	1.047582541	-0.295521333	0.26687901	0.61159315	-0.840277517	0.188945528	-0.251108365	-0.346161187	1.161491881	0.592698173	1.412866748	0.263500878	-0.354926995	-0.952785991	0.001646421	-1.381293214	-0.724459402	-0.234472347	0.053867405	0.572331183	-0.306979234	-0.182426006	0.41189633	0.619459458	0.147753253	0.916544088	0.48421819
PS 38:4; [M+Na]+@4.92	-0.915645691	-1.023738941	0.030139697	-0.812539925	-1.258427731	-0.538240896	0.392390868	-0.07896771	-0.653893751	-0.507346421	-1.042433362	-0.530737517	-0.681893608	-0.591265755	-0.073779079	-0.003588049	-0.245857527	-0.35346439	0.067399111	-0.259443863	0.081421496	-0.583439923	0.070377716	-0.50751827	-0.56752927	-0.853628176	0.306382325	0.067080402	-0.169111215	0.249921603	-2.424991452	-1.538992764	0.046848658	-0.325568539	-0.222044281	0.288266743	-1.037604968	-0.343355396	-0.401875502	-0.191018347	-0.936577687	-0.603842005	-0.094757322	-0.615889643	-0.895018754	-0.623958504	0.406351427	0.216778528	-1.187550506	-1.231696358	-1.913009043	-1.161244713	-1.95555114	-0.706281841	0.05461446	-0.661257414	-0.380524241	-1.538560222	-0.477935039	-1.041442984	-0.149909366	-0.512440485	-1.412110547	-1.566226709	-0.821001795	-0.997456937	-2.08755801	-0.433627042	-0.727851888	0.036604007	-1.243686893	-1.719966626	-0.632266921	-0.727229086	-0.505259172	-1.490446566	-0.691889917	0.19001477	0.221027668	-0.437644833	-0.279967594	-1.305354041	-1.32209433	-1.61430476	-3.063185523	-0.705619971	-1.107677796	-0.600270896	-0.801751452	-1.188662029	-0.240901365	-0.765181761	-0.042370871	-0.848823397	-0.661119965	-1.999962252
PS 38:7; [M+H]+@4.38	-3.898555282	-3.93882213	-4.916816303	-4.030327375	-4.655558807	-4.976788683	-3.372384716	-4.039961485	-4.618737065	-6.1445711	-3.807452476	-3.834308424	-3.350986448	-4.252010879	-4.069908109	-4.02647145	-2.488683952	-4.14882589	-5.740947381	-5.004860257	-4.106751625	-4.002109499	-3.677891515	-4.883658022	-4.314660435	-4.252692243	-2.876335835	-3.60651621	-2.564936735	-3.696271686	-6.63220259	-6.400601646	-3.960194266	-4.570695881	-4.574490542	-2.519074082	-4.40136578	-3.866677637	-3.672040166	-4.674696359	-3.587798228	-3.645791006	-3.551295542	-4.113918622	-3.548892794	-3.326517853	-3.565744091	-3.806851619	-4.371114457	-6.297255476	-6.02280091	-4.845559083	-5.378088508	-3.718319843	-5.069703664	-5.30992022	-4.743127539	-5.307392656	-5.700300536	-5.015351756	-4.639799724	-5.351823281	-5.171716961	-5.089306269	-3.842852566	-6.57074966	-4.798802748	-4.950968166	-4.131173496	-5.088988518	-4.71743965	-4.069792434	-6.01223913	-4.112943045	-4.515879755	-6.263940883	-4.993751553	-3.841794495	-4.97765081	-4.335183601	-3.56887452	-5.437338771	-4.958880299	-4.688754123	-5.826899681	-3.679316621	-5.817970816	-4.818847302	-7.115830502	-5.775372972	-3.991101394	-4.810059888	-3.97458175	-4.052707167	-5.031968364	-4.11355622
PS 39:6; [M+H]+@4.51	-0.906745416	-3.228863018	-3.347789817	-3.073891541	-2.438757913	-3.720485891	-1.729586727	-3.701753085	-2.955610941	-3.883152235	-2.426703327	-2.359831823	-3.163987066	-3.265364656	-2.986154768	-2.423707878	-3.018984687	-1.714325396	-3.676930483	-2.060587418	-3.047640613	-3.501642074	-2.133677651	-3.437708456	-2.183195386	-3.744539486	-1.710782292	-1.644522169	-2.212061839	-3.283958966	-2.627361261	-4.184701185	-1.941836369	-13.01575258	-2.652010378	-2.791979028	-1.662625123	-2.422558075	-3.137861004	-2.886828552	-4.140015762	-3.057077439	-2.590813543	-2.549100797	-3.707773307	-1.604342551	-2.446266938	-1.935452231	-1.914185756	-3.615836849	-1.110667807	-2.453469143	-1.757598703	-2.259737629	-2.692766433	-3.894854829	-2.10993266	-3.329532101	-3.254689653	-2.81846003	-1.847880753	-1.813175921	-3.647466889	-3.417486624	-1.758170549	-1.929183066	-2.098557358	-2.614943929	-3.094507196	-2.80959463	-2.83406094	-2.439010853	-3.578259966	-3.15526793	-2.666948797	-2.561685263	-3.20323961	-2.778524415	-2.948944806	-3.05599695	-3.257211121	-4.430086638	-3.671960541	-3.497776795	-3.806815499	-2.83543666	-2.454554986	-2.59922525	-3.632537859	-2.676797314	-2.458267349	-2.11931156	-3.380116251	-2.117146342	-2.47849307	-3.120838287
PS 40:6; [M+Na]+@4.78	-0.408352817	-1.207286144	-0.270296487	-0.331389294	-1.051603135	-0.486663465	-0.468813867	-0.586268818	-0.542593537	-0.417561749	-0.384908286	-0.161108364	-0.305163018	0.280917671	0.430613462	-0.68787607	-1.075275951	0.310801612	-0.12244385	-0.603375089	0.320550086	-0.306431955	-0.075749773	-1.3962188	-0.07168617	0.442216796	0.700353442	0.778605895	0.148809347	-0.913203211	-0.77304464	-1.591426667	0.803473747	0.2722919	0.032597451	0.061231065	-0.249485417	-0.503641436	0.419471259	0.301284847	0.051777826	-0.278037391	-0.906922034	0.024482262	-0.623710073	0.038104552	-0.25711693	0.058251037	-1.028894798	-2.297912425	-1.189823164	-1.666075576	-0.85911901	0.218840919	-0.584438792	-1.122203604	-0.219160576	-0.301434493	-0.025190677	-1.278039676	0.185367777	-0.293031062	-0.514863455	-1.420295691	-0.491142708	-0.013594827	-0.66288246	-0.262359429	-1.048229221	-0.460658663	-0.696549404	-0.645608192	-0.345240823	-0.368088847	-0.153356881	-0.445814537	0.340024397	-0.253780697	-1.164285362	0.150511749	0.498194719	-0.950258779	-1.406338514	-0.296827567	-2.020965751	-0.545462	-0.259055143	0.087325918	-0.589753163	-0.937510049	-0.90233458	-0.441961858	-0.588367471	0.249820777	-1.387541707	0.195259713
SM 30:1; [M]+@3.51	0.172249831	-1.374066648	0.660790344	-0.619791277	-0.617918658	-1.448915977	-0.449337864	-0.451846058	-0.452129531	-1.356703087	-0.237821212	-0.541380445	-1.68129004	-0.390099931	0.177849238	-0.694875774	-0.90462593	-0.821568067	-0.30715033	-0.305091937	-0.48340029	-0.480741374	-0.322738029	-1.114682972	-0.395061801	-0.759083792	-0.659228997	-0.270641386	-0.452871579	-0.683310507	-2.202927074	-0.6161294	0.456651365	-0.555196624	-1.311457882	-0.293384688	0.130448359	-0.21271195	-0.463686062	-1.018389135	-1.204056577	-0.393743297	-1.155452727	-1.103440783	-0.558654424	-0.077723796	-0.006971332	-0.640386133	-0.395787359	-0.989733887	0.207913011	-0.509107907	-1.33793639	-0.813672003	0.284014068	-2.479139267	-0.093002308	-1.311859048	-1.847280229	-1.427671029	-0.611830955	-1.281987298	-1.698610863	-1.690116686	-0.782176779	-0.501079112	-1.096502901	-0.330027872	-1.094698208	-1.229834904	-2.401225429	-0.614152815	-0.972522902	-0.904309609	-0.971614073	-1.670956681	-1.290631282	-0.392045957	-0.90075374	0.167378112	0.080842575	-1.117170107	-1.333431618	-0.856338462	-0.206640647	-0.258711572	-0.501396521	-0.420226434	-1.04493247	-1.429012566	-1.07502031	-0.579145989	-0.505384593	-0.659028778	-0.978010498	-0.52113748
SM 31:1; [M]+@4.06	-0.543869765	-1.095140437	0.431715095	-1.393054876	-1.199368273	-2.237551322	-1.572165931	-0.766545661	-1.298151994	-2.335155206	-1.796436676	-1.224226083	-1.220942351	-1.469624385	-1.089789621	-2.031582794	-2.666502879	-0.391673353	-1.044769083	0.728761227	-2.906759655	-0.857720206	-1.354042121	-1.518917673	-1.332092364	-1.675852882	-1.144860961	-0.54743058	-1.118936257	-2.017801502	-2.792811455	-1.205584176	-0.910975706	0.302580495	-1.39233929	-1.408331418	-0.532899238	-0.942167158	-2.027414503	-1.154902488	-2.207143069	-1.397662055	-2.477414845	-1.13537532	-0.83540776	-1.540453141	-0.058377201	-1.687024444	-1.131597002	-1.044457171	-0.439617033	-2.357631978	-0.923838023	-0.43999895	0.150466126	-1.801156068	-0.500112152	-0.569584723	-2.266297426	-2.525708066	-0.198187274	-1.507776466	-1.894279723	-2.544189024	-0.718919007	-0.600740731	-1.916361505	0.001766326	-3.119313534	-0.806865151	-3.316518843	-2.373688736	-1.360035875	-2.961811949	-1.935664546	-3.567966739	-1.191514051	-1.520957199	-1.34439219	-0.585302176	-0.568294949	-2.779773994	-2.380998743	-1.127632884	-0.849345269	-1.376611425	-1.645061768	-1.804745698	-2.928481152	-2.49896959	-1.757694776	-1.032462057	-0.75781773	-1.492807827	-1.768419083	-0.410131508
SM 32:1; [M+Na]+@4.405	6.011908411	5.541397974	6.772559433	5.945186812	5.138134964	4.555048083	4.859982489	6.142287449	5.049050039	4.276221481	4.80841501	5.244722184	4.960276985	4.467738478	5.122203871	4.092673449	4.12366435	5.280962853	5.302954506	5.71345375	4.433908085	5.197890305	5.271017442	4.154007908	5.209128829	4.978562312	4.616710352	5.320602697	5.233971512	4.92990493	3.900046806	3.333602569	6.06371079	6.384886002	5.118398267	5.126866965	4.989126715	5.092519628	4.467396541	4.397767229	4.79325611	4.389958113	4.048561692	5.071362801	5.410349588	5.322774869	5.243166263	5.033535303	5.746390573	5.278451605	5.661592153	6.114179506	5.661126082	6.260135673	6.198850414	5.061170515	5.32004882	5.235053398	4.367040213	4.007811452	6.155540735	5.363084193	4.084797889	3.890742696	4.366043226	4.601826641	3.906302731	5.898116876	3.996472122	4.678975203	3.30756015	3.748253564	5.620867118	4.10807508	4.354482688	3.186527877	4.861166199	5.408493513	4.642053585	4.18399368	5.824636337	4.127762492	4.194859858	4.661230494	3.084260408	4.665753766	4.686117759	4.806243764	3.914728879	4.079982422	3.530819514	4.905900411	4.697482278	4.521068891	4.447913007	6.120106155
SM 32:2; [M]+@3.75	-0.130431433	-0.670626624	0.546122432	-0.66026023	-0.743808491	-1.33564809	-0.168395815	-0.623175266	-1.818523236	-2.070284303	-2.240663238	-0.275441539	-1.233816257	-0.604141445	0.127594164	-1.519681968	-0.626895968	-0.424780246	-1.145534537	-0.213940108	-1.304313635	-0.614052294	-1.453049167	-1.159700676	-1.117465931	-0.964197657	-0.313031212	-1.778336435	-1.199711247	-1.73228154	-1.658070955	-0.527654576	0.074171052	-0.615764488	-0.890055042	-0.513014833	-0.548467116	-0.265853598	-1.245458716	-0.838413415	-0.450712732	-2.231648934	-1.283824045	-1.241817059	-0.48245241	-0.327969953	-0.42832478	-1.134999423	-0.060514614	-0.88931322	-0.370837345	-1.010428556	-0.692709873	-0.545078127	0.64222764	-1.244807224	-0.289029746	-0.384082523	-1.693805464	-1.012563469	-0.013229304	-0.286665792	-1.170668563	-2.338149096	-1.214986757	-0.487543493	-2.177508228	0.021403529	-1.04744685	-0.177491439	-2.032755835	-0.988813989	-1.161905545	-1.478770307	-2.259929977	-2.301676014	-1.80509833	-1.019201602	-1.292759995	-0.24273388	-1.374629122	-2.73137465	-1.922838562	-1.851298852	-0.772263209	-0.211589756	-1.351683267	-0.370559181	-0.756829326	-1.865687095	-1.212896428	-0.39473438	-1.193273544	-0.768825901	-1.370368359	0.166837289
SM 34:1; [M+Na]+@5.165	10.3490683	10.10724945	10.65569048	10.62464966	10.18963157	9.586287939	9.676458405	10.61242892	10.27683965	10.16000272	10.587868	10.16333941	10.50773488	9.908507524	10.18610369	9.465316704	10.22783658	9.965152644	10.35091341	9.364763754	9.968073483	10.21535323	11.11857562	9.857110892	10.33098494	10.99587918	10.60461024	10.89401165	10.89055243	10.26287763	9.166713281	8.750813469	11.23057114	10.95844708	10.87838438	10.97360159	9.979012063	9.993459831	10.20647217	11.19201495	9.732411947	10.37237874	9.455200935	10.43019808	9.962967569	10.82939131	10.98243134	10.43255657	9.847042884	9.683316035	9.183462487	9.906083957	9.842898578	10.52341067	10.30868894	9.589457213	10.17422796	10.98235217	10.08734324	9.161766371	11.24110505	9.492345604	9.764146263	10.05016993	9.732945377	9.667967873	9.053787204	10.34723869	9.890502792	10.60298558	9.542863621	10.79224724	11.14281567	9.530283357	10.03329977	8.982604077	10.02553753	11.06009171	9.458913843	10.12140571	10.80160391	9.719119986	10.52644481	10.02751257	8.600962109	10.26837552	10.66374069	10.88991431	10.08664396	10.37100779	10.47749142	9.547557614	9.801899592	9.988185305	10.32478168	11.49787397
SM 34:2; [M+Na]+@4.64	-1.150820742	-1.82748514	-0.282422084	-1.023858285	-0.511543488	-0.192363063	0.255742169	-0.663686425	0.853801619	-1.184539352	1.104224846	-0.168079524	-0.393565723	0.101801712	1.265378844	1.583531755	0.207665639	0.384057773	0.591658962	-0.365544395	0.905202244	0.140842876	1.600327782	0.733449385	-0.148341318	1.184091165	2.166630768	1.573498119	1.446862001	1.876748353	-0.593087277	-1.203132048	1.195879699	0.939087116	1.071621682	1.190481568	0.537896258	2.181418648	2.047165608	1.081052726	2.263632208	0.125842295	1.650191415	-0.583166899	-0.427774504	1.255717585	0.322282076	1.882683151	-1.067105337	-1.889860308	2.479941575	-2.564310828	-2.610482045	-0.540799055	-0.360093733	-2.11277568	-0.396162841	0.612111707	0.489678852	-0.091803823	-0.008930893	0.691056216	0.083947741	-0.726444443	-0.078492154	-0.147655579	-0.222264682	0.399417421	0.001432509	1.213668351	0.586471954	1.084441053	0.588141957	1.048480802	0.805662525	-0.766442875	1.248338861	1.391300515	-0.089343065	0.11515653	0.238564689	-0.98914616	1.242858339	0.993272079	-0.686006573	2.294980924	0.408616807	0.226322238	2.008354039	0.672069057	2.098927539	-0.216443238	-0.576217092	0.515748192	0.929022277	1.761168031
SM 35:1; [M]+@4.65	-4.059942244	-4.494420459	-0.890135445	-4.997763975	-1.040424652	-6.813864856	-1.421709845	-0.535191051	-13.23474835	-6.923265973	-6.129314857	-4.618759562	-2.098202935	-4.344407694	-5.013648943	-4.664431829	-4.629300371	-4.873158722	-5.01748887	-5.677932022	-5.376411305	-5.622562124	-1.220484731	-2.268130387	-6.095209344	-0.793115308	-1.78496178	-7.159308914	-6.535690469	-6.952922207	-7.067063239	-5.723775689	-5.274202163	-5.046483469	-7.219222351	-2.281344469	-3.578419232	-4.256530505	-2.738057253	-4.219808866	-3.049208569	-2.039386787	-6.260096016	-2.430549254	-6.923740116	-2.297419234	-4.344631206	-6.491061955	-1.139638551	-4.657486058	-4.166667774	-3.661079392	-4.325089648	-3.291123481	-2.083285255	-2.10736903	-3.055022596	-1.72432768	-3.988864527	-5.419528531	-1.257650887	-4.397934457	-13.92077364	-5.299661834	-4.099803463	-2.32282535	-4.084920297	-5.235024217	-6.204101581	-4.179150636	-3.759438556	-5.552447992	-6.911757746	-8.154962994	-7.605987939	-1.492987444	-13.94811623	-5.695724535	-4.276110041	-4.627152036	-1.470368756	-4.960884222	-8.282640533	-4.285928428	-6.234693306	-5.6403575	-4.928145965	-6.667025716	-1.818172488	-5.968257608	-4.820358539	-5.441625777	-2.387965566	-1.523238297	-6.257670478	-4.443315964
SM 35:1; [M+Na]+@8.43	-2.145105812	-2.261798184	-2.700538192	-2.704790206	-2.104652546	-3.060261682	-3.182595212	-2.741050128	-1.616089396	-1.117681717	-1.497855367	-3.128448939	-2.275691168	-2.465472409	-1.597630849	-1.332921814	-2.509861981	-3.493705309	-2.812842995	-2.321402029	-3.078150763	-3.421545124	-2.831610919	-2.036698972	-3.30132056	-1.937242247	-2.539448568	-2.60031896	-3.449390075	-3.650988834	-2.534094959	-3.53294745	-2.746317309	-4.717233513	-2.988067463	-3.672958593	-3.003800082	-1.85099854	-3.416383422	-2.01660549	-2.012815794	-2.792670098	-3.348759799	-3.427590013	-3.685503271	-3.537151273	-3.751329808	-2.8675213	-4.530166687	-3.63391117	-4.918634522	-3.762912762	-3.652372714	-3.114029018	-3.839752434	-3.430826346	-3.204830841	-2.909435865	-2.699765976	-4.641219585	-2.806733751	-3.693045346	-2.707599001	-2.040393263	-3.22843589	-3.343112907	-4.845743018	-3.048801112	-2.648617453	-4.715635497	-2.633087285	-2.53706271	-3.403639592	-3.560748209	-4.364312442	-3.046010302	-2.945093393	-2.284451126	-2.300216202	-3.407021808	-1.866930441	-4.144167622	-3.239176828	-3.508597952	-3.452850901	-3.054902616	-2.966849129	-3.787031827	-4.232590663	-2.888984669	-4.145782571	-4.262421245	-2.614080674	-3.429715776	-2.745913221	-3.479115494
SM 35:2; [M]+@5.07	1.002414448	1.176574401	1.000414316	0.201493847	1.03281068	0.611162453	1.766708387	1.471874041	1.094858434	-0.421462369	-0.440868196	0.315577521	1.060165985	1.177209839	1.430173273	0.494130487	1.054762507	1.416698904	1.101060531	0.642170252	1.088020809	0.936850814	0.68901414	-0.499221133	0.674015013	0.007751727	1.064305788	1.547124071	0.888556911	0.837352737	0.042101712	-0.290562636	1.029491497	1.95696022	0.005186283	0.171537124	1.927795938	0.831891416	0.207740265	-0.004809363	0.604377354	0.051128643	0.956985498	0.96842315	0.914840734	0.65165999	1.217685907	0.733007884	0.452107315	0.838453139	1.07247738	-0.722438264	0.467452035	0.773265547	1.3993488	0.181819231	0.876775543	0.05535967	-0.659453726	-0.21082859	1.389466023	1.025765583	0.32133753	-0.280375413	1.074952084	0.589510134	0.321305521	0.959231116	0.476963628	2.110197455	-0.506276935	0.65930229	0.029906331	-0.757012238	-0.24196341	0.194812256	-0.063217843	1.150430749	1.315055107	1.062815962	0.951631783	0.984041431	0.241800624	0.508140156	0.293178581	0.203426912	-0.148347968	0.687772926	0.573247379	-0.705294711	0.666293263	0.732756382	0.844095053	0.472038835	0.932771826	0.508371859
SM 36:1; [M]+@7.81	-0.859053944	-0.582266211	-1.204637228	-1.276064013	-0.896267931	-1.559070077	-1.347517163	-1.661735143	-1.794542761	-3.594746605	-1.012806841	-14.24915584	-2.221009969	-1.264614109	-1.980989386	-1.847283536	-0.177641515	-3.116585965	-0.667649404	-1.996121973	-1.565785435	-1.28415356	-1.638370386	-1.606274117	-1.480677834	-2.225934765	-0.660371058	-0.936076791	-1.69856331	-1.433841986	-0.736192331	-4.356307478	-0.280717781	0.126138824	-1.949675132	-1.6408592	-0.17032466	-2.144938121	-2.73041403	-0.870590287	-2.392677086	-1.685099164	-2.495613674	0.340437558	-1.801704116	-2.150865132	-1.48016331	-1.410084837	-1.142837938	-2.325293651	-2.84351515	-2.149339189	-3.091136336	-0.411797098	-1.986967466	-1.631234223	-1.273685392	-1.318735419	-1.397385742	-1.895820118	-0.104126087	-0.713654597	-1.722764899	-2.046237037	-0.008775303	-0.720741494	-2.326283214	-1.157166387	-1.415065306	-1.535970287	-2.429759543	-1.912263933	-1.568957506	-3.495777773	-1.326495597	-2.320868697	-1.724822402	-0.868898498	-0.826203927	-1.736443997	-1.506183018	-2.001512086	-3.217915406	-2.714649789	-13.99823585	-2.361752265	-3.239435573	-1.519231498	-2.409681771	-1.662996489	-1.205984698	-2.542897813	-3.547123214	-1.9855122	-2.448455193	-0.896654875
SM 37:0; [M]+@8.76	-1.92025448	-0.821726746	-4.32507541	-3.443204741	-1.785392316	-3.096485096	-1.746311067	-3.91915321	-1.22095303	-3.949627982	-2.348711235	-1.887783531	-3.027903451	-3.035603464	-2.821878266	-4.39849701	-4.803049558	-4.488785757	-4.121248138	-4.534734548	-0.545441835	-1.358756183	-0.646944761	-3.835572525	-3.873099618	-0.766031667	-3.045508455	-0.478790658	-2.184372508	-1.689836226	-4.421267479	-6.696505903	-2.41883041	0.159117405	-2.197393834	-3.153344808	-3.186264197	-0.990648001	-3.312603232	-3.547609754	-3.881570683	-2.426900647	-2.901231789	-1.981381538	-3.882800387	-2.297375163	-4.414882856	-1.281882785	-4.689892943	-1.210198841	-4.381555409	-3.363038014	-1.970390857	-1.432286747	-2.888975932	-3.278608336	-2.795771034	-2.130527402	-2.31221131	-4.995744889	0.643486042	-5.600213155	-2.775862873	-0.410110893	0.00443613	-5.044524777	-3.67847569	-2.441320725	-1.889739411	-0.877476233	-2.886096932	-3.195410824	-3.36272852	-3.815512768	-2.419907765	-3.101722387	-4.626410948	-0.198293857	-3.063324287	-3.240152996	-1.954675214	-5.077650174	-0.956607572	-2.487252971	-4.756010865	-3.962702838	-1.926172474	-2.693824787	-3.456977628	-4.136646867	-2.693088681	-0.804437268	-2.410118413	-3.142754132	-1.531218094	-3.316059556
SM 37:1; [M]+@7.16	-0.90047868	-0.117670737	-1.310252136	-2.060847236	-2.83163597	-2.05459099	-2.961605685	-3.846197863	-1.876293349	-1.622102552	-2.707665538	-0.584143832	-2.411471115	0.688539001	-1.183920478	-1.137410386	-0.885857481	-0.751324508	-2.252202197	1.546800272	-13.76378852	-13.76378852	-1.523684395	-1.38887684	0.395995752	-1.315814844	-1.756746703	-0.962776207	-3.070774616	-0.523915494	-1.439759961	-1.081208825	-0.776992725	-1.795191707	-5.797151198	-3.554856658	-2.610901642	-3.995710299	-1.825476752	-3.503649159	-3.781411833	-3.054216373	-1.89803075	-1.940328126	-1.313557146	-1.820019884	-1.546155462	-2.504740177	-1.143700006	-1.754215672	-1.196291905	-1.63847914	-1.238915273	-2.114574004	-1.077440708	-2.082621194	-2.098215491	-1.509340822	-0.306287743	-0.296756594	-1.052945159	-0.747709865	-2.572060723	-6.065950975	0.191138489	-0.189554402	-2.269478796	-1.082447111	-0.620536882	-0.187270498	-2.053906732	-2.157744155	-3.674180805	-2.911241843	-1.766500174	-1.865524711	-2.202913948	-0.840253101	-2.240502818	-0.385728624	-2.707157891	-2.539503402	-4.215590181	-1.623114627	-1.135774055	-1.851603448	-2.523626445	-1.241141853	-1.508902782	-2.991173358	-1.63625697	-1.039429251	-0.940140348	-2.213623429	-0.825814817	-0.398942748
SM 38:1; [M]+@8.90	-0.338516733	0.156601161	-0.762155713	-1.610090545	-0.759829987	-1.689966906	-1.421063346	-0.587386883	-1.819659566	-2.67241433	-1.963095138	-0.723389772	-1.522459365	-0.927390611	-1.585706696	-1.76642955	-2.748046763	-0.608527443	0.155789295	-1.198037024	-0.927648603	-0.755470963	-1.536748646	-1.545925648	-1.29519331	-1.410833503	-1.82918938	-0.076554569	-1.208998908	-1.290939587	-0.743667512	-2.541051554	-1.174797198	-0.136899275	-2.160729414	-1.36980429	-2.792088001	-1.481675691	-1.727009835	-1.193842503	-13.77040964	-1.562281672	-2.081931798	-0.974887222	-1.706948981	-1.014423225	-1.34285721	-2.264286637	-15.10966144	-1.14083895	-0.71669886	-1.913612115	-0.683524373	-0.277756595	-0.119583497	-1.764246394	-0.013520037	-0.247154247	-0.846035962	-1.532591214	-0.672716196	-0.53095619	-3.12396747	-1.306010436	-1.326047557	-1.542826719	-0.852930755	-0.437717999	-1.059598241	0.271172161	-2.950564348	-1.113836497	-0.452046614	-2.191475296	-2.214699273	-1.49544269	-2.154833346	-3.035137661	-1.711779393	0.017922037	-0.520059766	-0.658635918	-1.846725859	-0.817562932	-1.610302906	-2.65486478	-2.321557731	-1.930260062	-2.495153351	-2.100643151	-0.994324218	-1.467584992	-0.71968176	-2.506355439	-2.304406832	0.446308512
SM 39:1; [M]+@7.17	4.561623756	3.146254645	3.839556825	1.731525182	3.03924814	1.601053518	3.355540004	3.178963765	3.272606192	2.04034945	1.330830365	4.435555331	2.637505206	-3.384952808	2.795992506	1.293486468	-0.413988017	-4.288936467	-2.137033528	-2.767630916	-3.692303333	-6.66985063	3.456711548	1.452464703	1.568578823	1.65840429	2.636621379	4.514966323	3.112858476	2.908379287	3.497191841	-4.820783188	3.529517621	3.157094806	2.516833934	2.374742668	1.747672061	2.896484005	1.837685167	3.025470249	1.973773839	2.95372047	1.639473554	2.43539171	3.090209839	2.612272823	3.704545588	3.067191915	4.135619413	2.609553799	4.947637098	2.693766328	4.598049362	4.452502686	5.154469136	2.425112364	4.101279656	3.813496038	2.753189915	2.74764595	3.639323041	-3.389635356	2.463666199	2.658537537	-4.978602022	2.273876848	2.849661924	1.037620026	-6.404764456	5.594988052	2.873962537	4.224448944	2.030474803	2.227069909	2.761670362	3.366380045	2.422619908	3.71563464	2.667603254	-7.076813385	3.206456599	4.884093208	3.172534142	4.536980748	-5.336896648	2.018739712	1.898874903	3.334510947	2.291031843	2.173308394	2.841895831	3.548471037	3.742450762	2.653781889	3.857243351	4.473138256
SM 39:1; [M]+@8.93	-1.018429387	-1.384065653	-2.643338341	-4.669800554	-1.303933839	-3.267598736	-1.309910489	-2.695607921	-1.199900272	-2.879629557	-4.171460875	-1.51834459	-3.525215888	-3.484755697	-2.972006678	-4.106476983	-3.099830312	-3.047624175	-2.619631852	-1.016815949	-1.188082659	-1.198794998	-0.864067564	-2.374577535	-4.694443498	-1.361590799	-3.217768889	-1.36290314	-1.135369143	-2.747518214	-3.370537982	-5.053770033	-3.137531679	-1.920471449	-2.314694964	-3.027238432	-2.974375363	-0.780555311	-2.48725484	-1.277808524	-1.585335804	-3.44811361	-2.561214471	-2.155647442	-3.463814794	-2.032642709	-2.180093977	-2.082790125	-2.488752935	-1.969570283	-2.176928331	-3.570242097	-2.084867594	-1.982710537	-0.512059336	-3.124730286	-2.297850841	-2.33308859	-2.757939998	-2.948438088	0.150951301	-0.892296663	-3.782176948	-1.664737719	1.531538618	-3.148192499	-2.370507532	-2.764470854	-1.993698663	-0.579582988	-1.664443247	-1.092730135	-3.519214137	-1.802839494	-2.274650343	-2.035459499	-2.724352429	-0.018712404	-2.622744746	-2.473487805	-1.919126056	-3.289090717	-1.325834788	-1.7618392	-3.391804642	-2.218990192	-1.745467385	-1.428537784	-1.116257337	-2.037791634	-0.910237302	-2.701313873	-2.233634375	-3.164886941	-1.936499237	-1.272331915
SM 39:5; [M]+@6.21	-0.659978683	-2.279018486	-0.816357512	-1.445378019	-2.122230096	-1.880634271	-3.547882255	-1.756802548	-1.508612576	-1.456478228	-1.633456364	-0.738108106	-1.968014948	-2.570113393	-0.937133325	-1.477881035	-1.960983575	-0.206026092	-0.873365121	-1.59229735	-1.57978436	-0.539389888	-0.761440042	-1.129948391	-0.673938686	-1.319948985	-2.219406609	0.043937639	-0.437931049	-1.709419717	-0.751075257	-3.102083451	0.261908341	-0.021770079	-0.429670436	-0.838172439	-13.76378852	-0.746137786	-1.894645276	-0.998406434	-2.502692739	-1.55047162	-1.014861025	-0.836722454	-1.336022018	-0.737315476	-0.842763929	-0.692020457	-1.16208329	-2.219852098	-1.96908334	-1.777487967	-2.529497533	-0.171792183	-0.92578573	-1.430450456	-0.474473198	-1.001489502	-0.8229907	-1.462149933	-0.360944002	-0.937171586	-2.660407379	-1.619407221	-1.234311208	-1.049171656	-0.830604018	-0.95320833	-2.07864594	-0.935684022	-2.289866873	-0.938350824	-1.366396682	-1.226149169	-1.742647226	-1.28479717	-0.593648022	-3.709605844	-3.67463913	-0.528015165	-0.989008657	-0.020533438	-0.898890761	-0.749890878	-2.288325986	-2.105216476	-0.477968014	-1.931165641	-0.765691538	-0.152948418	-0.246928506	-1.649834242	-1.173992638	-1.156504286	-0.748367629	-0.772985036
SM 40:1; [M]+@10.61	-1.185983805	-0.337442943	-1.339956755	-1.383769493	-1.454043533	-1.343109168	-2.061810236	-0.635773744	-1.788134794	-1.729996631	-1.945362895	-0.10928068	-1.282027999	-0.3999602	-1.367222366	-2.885551497	-2.298706914	-0.227923621	-1.727356069	-0.419446564	-1.059063414	-0.03867716	-2.696845759	-3.480655558	0.044146138	-3.681777518	-1.407946518	-0.551746661	-1.636751296	-3.19321932	-0.162314934	-2.866470048	-1.816904206	0.312309585	-4.507296073	-2.972538834	-1.552242554	-2.97594698	-2.358039578	-2.077565396	-2.844118705	-1.631775076	-4.825366955	-1.139420465	0.118470652	-1.794947036	-1.201130748	-1.540323314	-0.295414787	-1.428977446	-0.308523225	-0.449427698	-0.346415081	-0.498327254	-0.766174134	-1.917315532	-0.380419102	0.444637121	-0.745111279	-1.776532829	0.252670249	0.370094842	-1.592147518	-1.351242708	-0.80796442	-0.478769191	-0.328895352	0.021435495	-2.548119808	1.001675831	-2.870003262	-0.805114335	-2.917121181	-2.318792765	-2.0844505	-2.819304099	-2.120347698	-2.191773693	-1.826205933	-0.009695474	-1.946101854	0.829814351	-1.238080063	-2.522946113	-1.456188339	-3.653512247	-2.824336165	-1.792432709	-2.473943381	-2.735469689	-1.999627304	-0.567378768	-0.833524791	-4.074302059	-2.035927157	-0.583926317
SM 40:1; [M]+@12.25	-2.373017107	-2.397840234	-2.479561018	-2.685572982	-3.585276055	-3.03790823	-3.770935133	-2.683979468	-2.622978554	-3.935060666	-4.387266593	-2.876340545	-3.396590284	-2.955118886	-3.595830434	-5.388956265	-3.190590372	-2.672310321	-2.798540041	-3.274048176	-3.70845577	-2.904044536	-4.327157809	-5.075984311	-2.913577073	-3.904800681	-3.173420341	-2.025061617	-2.075958201	-3.539598274	-2.544414221	-5.242589032	-2.985142437	-2.077384762	-4.038086408	-3.341191445	-2.172842619	-4.882272443	-5.980838778	-3.990654063	-4.739721941	-3.41673875	-4.672351797	-3.095310535	-3.457009874	-3.921410697	-3.861325283	-3.506250016	-2.74803269	-3.496832333	-2.694249371	-3.27705806	-3.03377913	-2.552606791	-2.40238173	-4.34010351	-2.668801475	-3.002900017	-3.6057092	-2.554329164	-2.446573365	-2.036645099	-5.000122713	-5.133371778	-3.371144524	-3.196784149	-4.854949823	-2.681115087	-3.474482981	-2.021074067	-5.836754863	-4.155883217	-3.21531754	-4.33417432	-4.106401757	-4.610060213	-2.935523542	-3.507509413	-3.609083773	-2.175000371	-2.256681878	-2.85085218	-4.898118982	-4.296494196	-4.963589737	-4.831439868	-4.118766006	-4.701424142	-5.665799458	-4.160554536	-4.175302107	-3.310522626	-2.59405441	-5.15515847	-3.150516112	-2.256233441
SM 40:1; [M+Na]+@7.55	3.489049843	4.378464946	4.463501492	4.478253724	4.225679881	4.03947248	4.181479869	4.415632417	4.730284249	4.037559628	4.156360642	3.915949264	3.581498427	4.529766126	4.546462686	3.680117157	3.414627421	4.881972257	4.755485907	4.876518511	4.925567505	5.023834844	4.395771687	3.648482321	4.898914124	4.084878717	3.862278537	4.467789661	4.477880322	4.733906383	4.563603478	3.248769431	5.357275177	5.49091276	4.321819626	4.425434622	4.746302021	4.660354212	3.942612	3.907821915	4.17070521	4.908899962	4.346781032	4.191244089	4.256595465	4.851735986	4.722906052	4.924240833	3.825807508	3.639808311	3.393847714	3.766330378	3.510646088	4.853081261	4.43804474	3.346546153	4.551846377	3.975873337	4.833467028	4.489276085	3.634638855	4.343481652	3.759754642	3.740184016	4.11210011	4.410967278	4.54387608	5.096473164	4.306082567	3.514977006	3.58866581	3.76374838	4.7907876	3.943541226	4.721125435	4.278358539	4.691911364	4.954209971	4.152976681	4.201050245	4.238155043	4.736774091	4.512522982	4.100905802	3.373015577	3.991613945	4.631502684	3.692747535	4.384752706	4.224491572	4.119729065	4.101605258	4.611402755	4.086329925	4.421840478	4.759340514
SM 40:1; [M+Na]+@8.66	-0.564041516	-0.440526728	-0.465042382	-0.721681227	-0.612777585	-1.293567437	-0.877632931	-0.153022278	-0.358361215	-0.828224062	-1.138477848	-0.199109622	-0.55448757	-0.28634474	-0.874608948	-1.840745838	-0.233398521	0.066026896	-0.057011787	-0.008780425	-0.075971361	0.030075685	-1.130316247	-1.080734553	0.28023828	0.247503469	-0.406697119	0.648088015	-0.811949971	-0.855247989	-0.118975344	-1.247590513	-0.320057537	0.850260699	-0.185670856	-0.755676026	0.298838916	-1.493304635	-1.671648869	-0.528426445	-0.229176338	-0.705200716	-1.84007055	-0.231976485	-0.865726352	-0.737391668	-0.022580309	-0.360416167	-0.622080324	-0.878082426	-1.251792545	-0.686211418	-0.821735119	-0.999053206	-0.534969243	-1.512918186	-0.559049672	0.340697681	-0.639402736	-1.424772933	-0.172771995	-0.416404364	-0.523662374	-1.778972195	-1.71879186	-0.420411981	-0.169719633	-1.016212154	-1.262145632	0.911922558	-1.641014748	-0.328999635	-0.696480079	-2.460246082	-0.827007676	-0.816255085	-13.94811623	-1.177821798	-0.907209622	-0.978729102	-0.549361209	-0.376021367	-1.147047305	0.263464342	-1.179100333	-2.434383133	-0.658001917	-0.931304122	-0.402379621	0.279454378	-1.144968868	-0.361805301	-0.416407518	-0.599510965	-0.269909728	0.633581404
SM 40:2; [M]+@7.04	5.170451112	4.19182665	5.672716842	4.607696278	4.046992547	4.074229293	5.142055953	4.536456845	4.949175059	3.310428238	4.626635682	5.314851479	4.468392224	4.81437796	4.979886847	3.618907773	3.299839931	4.603412785	4.165986901	3.327264237	3.600371153	4.785071052	4.377601726	3.988048737	3.354960275	4.096113306	4.303390982	5.201511851	4.407156229	4.672094733	3.959680651	2.07457494	5.081547139	5.402249522	4.212442061	4.225508087	4.900687815	4.314714519	3.930972896	4.396481905	4.507527205	3.496778424	4.318859277	3.881715322	4.771197989	4.392658173	3.867735988	4.452235566	4.375412255	4.455070764	4.912917546	3.476733305	4.492957786	5.286879523	5.271129518	3.74496363	4.886462745	4.065021289	3.354278816	4.392079853	4.343302383	4.43313959	4.192862229	3.666639912	3.451112048	3.844731463	4.07508679	3.939708629	3.937042842	5.552986009	3.171948044	3.602209217	3.283692085	3.747351953	3.903926224	3.600950493	3.488558143	4.764721248	4.500305514	4.591852697	4.610548967	4.871442029	4.087275222	3.968580127	3.158689444	4.491807722	3.911106042	4.723070049	4.412756232	2.944905082	4.56605241	4.617369052	4.204370406	3.721247611	4.70132103	5.578071789
SM 41:1; [M+Na]+@7.895	6.473200965	3.865162003	4.982143884	3.595299237	4.753872186	3.942677327	5.270247792	3.650536492	4.082414953	3.578710286	3.429971695	6.199393106	4.52807454	-0.940880329	3.500468974	2.343655271	-0.966961632	0.111485799	-1.851200195	-1.412949408	-0.070250059	0.224663453	5.090537919	3.177422851	2.96070555	3.478134959	4.619681749	6.068225329	5.048569147	3.684995361	6.286725319	2.206868563	4.756333892	-0.694084081	3.720058783	4.294865122	5.029905508	4.166044299	2.554612273	4.262768985	2.549272619	4.912844228	5.053535753	4.7006654	4.446338504	4.675066975	5.527213212	4.876614558	6.792212749	4.234392814	6.540993381	4.322829393	6.030295623	5.852994507	6.695523889	4.503277397	5.63736404	4.910140467	3.860088621	4.455196652	5.136966649	-0.482373794	3.263627315	3.685364694	-0.450233877	-2.127413954	-0.909721654	-0.527265269	-0.88721402	7.397621959	4.359446958	6.26037508	4.142766938	4.384887295	4.277373519	4.171493633	4.36017919	5.51172385	3.744578081	-1.533894077	5.597546053	6.976554638	5.417696114	5.066872292	-0.77720319	3.754427081	4.393909542	5.856866572	4.528399568	5.054459067	5.86659735	5.490788796	5.613426157	4.342576883	4.920441876	5.870700503
SM 41:2; [M]+@7.22	3.879063995	3.250845196	3.196664277	2.636067058	3.290687453	1.722719973	3.363286808	3.293919468	3.025024828	0.923147409	2.584055885	3.603389967	3.015142018	-4.590310875	2.562594641	2.033156162	-2.817359483	1.951391755	2.186993398	2.56304542	1.432508398	2.720610132	2.252417957	1.403841383	2.239155337	1.831385429	2.733530948	3.798741614	1.742864892	2.487666065	2.675868418	0.89109554	3.595414011	3.797230128	1.979217644	1.888676839	3.681613344	1.678316883	1.882283659	1.428979111	1.983768141	2.428004213	2.67271058	3.019196868	2.692944337	1.659039204	2.646441185	2.76624745	3.405161273	2.956418163	3.782725492	1.939237518	3.452346389	3.305314226	4.247558044	2.410489354	2.526612839	2.70983511	2.105068876	2.132401818	3.582210199	3.752455764	2.100459714	1.670080486	2.878533791	1.557191797	-5.843842995	2.50492594	1.054221269	4.275146993	1.339502539	3.148897482	0.956393714	1.886672352	1.488922447	2.441321384	0.831468215	3.01670471	2.824677921	2.41938916	3.037520014	3.665067343	3.00722823	2.641695938	1.109479831	2.543788727	1.922644539	3.395373256	2.749411269	1.757496415	3.449248645	3.484030698	3.090501406	2.22441067	1.287408429	2.577190168
SM 41:4; [M]+@6.18	-0.001018754	0.503135181	-0.611111829	0.862609571	0.585741665	-0.397645089	0.514434954	0.809408427	0.255399111	-0.418597192	0.701203081	-0.220904881	0.092006056	-0.84341334	0.251830646	0.738261172	-4.879118912	-0.118721117	0.453551888	-0.552602466	-0.280222237	0.222462651	0.566494284	-0.582963846	0.05691129	0.752060515	-0.470531717	1.31961645	0.087718138	0.967435253	-0.927702025	-2.006729366	0.359502434	0.807104357	0.698781819	1.467995571	0.44325588	1.069585137	1.022972781	-0.306621671	0.87297546	0.547370013	0.687997971	0.328609856	0.677457132	0.869101506	0.748279989	-0.505927993	-1.205681979	-1.839797968	-1.625187899	-1.786972834	-1.960263245	-1.937672712	-0.578019074	-2.534484795	0.003119185	-0.422063375	0.247186934	-0.48450237	-0.402208441	0.040283035	0.013569246	-0.228543248	-0.211684986	-1.228535775	-1.230914605	0.079884434	0.329944102	-0.94184666	-0.993344289	-0.281606386	-0.788269187	-1.04564898	-0.765983691	-0.02077179	0.260759343	0.683071099	0.286570662	-0.213987233	0.015242578	-0.839924634	0.493824765	-0.596483199	-1.189804689	0.549242355	-0.947505804	0.259311592	-0.145498004	-0.12471072	0.237435094	0.496342385	0.813074847	0.584121935	-0.33361298	-0.076649186
SM 41:5; [M]+@6.10	1.86332254	3.198056092	1.426749667	2.469915438	2.876561659	1.991254364	2.346490497	2.197729414	3.040445347	2.833263509	4.009903511	0.743261204	3.12461695	3.815165661	3.644004723	3.392929609	-2.188180115	2.50490743	3.270699729	1.702518463	2.526465622	1.885196464	2.851795944	2.732666296	2.251598281	2.680805164	3.491215441	2.080521056	1.766187976	2.681778625	1.549277818	-0.105503154	3.078233843	3.614070509	2.49813631	3.001341853	2.87968591	2.82848021	2.749325358	1.719231547	3.150422351	1.946005909	2.765481626	2.417226244	2.489253471	1.688411171	2.914137478	1.76789738	-0.049923748	1.125726127	0.480516531	0.247734774	-0.11927801	1.6517664	1.517951615	0.527478457	2.446128195	1.44257313	2.041045369	1.651395264	1.997910737	1.750818277	3.047275191	2.260930984	1.978350896	1.934910385	2.056615178	1.485968887	1.973291971	1.48913317	1.946503874	0.854693367	1.912616445	2.066304944	2.438110459	1.891816365	1.276696369	1.708189719	2.493862253	1.556344161	2.267227968	0.892236419	2.53831313	1.496031534	0.861457784	2.681916133	2.013776793	1.51655836	1.442291809	1.31784121	1.862312008	2.58162794	2.216431482	2.843089099	1.554666987	1.115579388
SM 42:0; [M+Na]+@9.78	-2.319068249	-2.032918402	-1.817935358	-2.049122732	-1.281820513	-2.858532173	-1.046387304	-2.355731174	-0.695287058	-2.559103596	-1.744407429	-1.586768687	-2.687383891	-2.373213651	-2.691429497	-3.518501255	-1.965834381	-1.982441403	-2.256774984	-0.877928333	-0.884386488	-1.426020629	-1.279146943	-2.271507688	-2.040808778	-2.080611605	-4.069113851	-0.61500497	-1.551566069	-1.523206351	-2.260622348	-2.238552622	-0.432667824	-0.708912094	-2.404009633	-2.369904032	-1.14689252	-1.143529003	-2.531961053	-6.687500443	-5.704804691	-2.699422955	-4.550122709	-2.057690874	-2.153431935	-3.016637286	-3.319163398	-3.283803765	-2.169095781	-2.443711638	-2.576498513	-3.024130175	-1.949224119	-2.714101834	-2.388568384	-2.79624082	-2.100292815	-2.113669111	-1.904389468	-2.962720495	-1.846703526	-2.002559023	-2.515893896	-2.009422663	-1.467369009	-2.140505119	-2.199636714	-1.073401327	-2.442063541	-1.894870206	-2.070888279	-1.690495465	-1.658315057	-2.401438716	-4.232657905	-4.642101931	-1.585074195	-5.392471917	-3.558713586	-1.395561063	-1.582453624	-2.154659774	-5.0360096	-2.181096049	-2.846740567	-2.31103063	-4.208075522	-4.510108274	-2.603329052	-2.039854024	-1.235092595	-1.732512592	-2.103253326	-2.154238388	-2.50944812	-3.912980246
SM 42:1; [M+Na]+@8.16	8.468512265	7.847150302	7.748712457	8.210570345	7.803341444	7.18989908	7.531582306	7.78461243	7.52352737	5.751078509	7.0415942	8.13022084	7.712140048	3.541097197	7.092121378	6.145464484	3.313047475	-13.76378852	3.460845226	2.745528277	1.634199044	4.616277347	7.767515594	5.418800137	4.526788774	7.451860515	7.305355082	8.456903655	7.197536466	7.08082825	8.151974202	2.151615537	8.833471537	5.038454182	7.066693142	7.290302822	2.092059003	7.256475913	6.382692577	7.340091074	6.747358899	7.502325084	7.109576602	7.574027223	7.476196839	7.751885159	7.917096769	7.520549344	8.775468415	6.706856388	7.542838817	7.578483923	7.249555472	8.033295612	7.749712613	6.999549948	6.568189734	7.272716391	7.539271946	6.809191886	8.369710063	3.657152157	5.335625656	5.703873804	3.837385545	4.160885436	3.422324274	-13.99823585	3.578079395	-13.99823585	5.824214681	7.365623972	7.277968576	6.836829293	7.183671703	7.030295482	7.84490514	7.185756386	7.104554727	-13.99823585	8.659903174	-14.02664102	7.018227272	6.753355197	4.79476977	6.989166279	7.072465328	7.378737337	6.871249132	7.265331053	7.578188591	7.479642439	7.823294833	6.993723267	6.809444083	8.495786738
SM 42:2; [M]+@9.01	0.323930325	0.329599561	1.020096733	2.187915296	1.563957217	0.441982133	1.823228224	0.624205361	1.405452901	-0.25167061	2.268495911	0.556046179	1.148504468	1.263267907	-0.025456733	1.143357045	0.761000283	1.925391669	0.191409002	1.443631157	1.600509815	1.335200736	-0.587539418	0.362044465	1.987401045	0.400420697	0.762160745	0.839696011	0.781569866	0.993849208	1.218691152	0.492489388	1.791023264	2.756981376	0.570204584	0.962526474	-0.02518677	0.402090223	-0.35864002	-0.320940579	0.794927022	-0.065175501	-0.343189834	0.99992824	0.504672746	0.848321111	1.388580682	0.431532958	0.723891199	0.281811803	1.024951847	0.484400218	0.325432767	0.628310454	0.373221097	1.362333406	0.613124248	0.609236735	-0.617678263	0.352261991	1.414942527	0.37175676	-1.284184718	0.163282474	0.7645799	0.490478186	-0.280213302	1.594269574	0.886246128	2.246560478	-1.214575267	-0.632372327	1.139318961	-0.573880857	-0.055975147	-0.7372381	0.115952182	1.462472246	0.539195823	1.191770716	1.302399384	0.522042709	0.04509232	0.615379734	0.144240668	0.205251054	0.445718512	0.167679324	-0.493341865	-0.27280995	0.902208218	0.614540231	0.267056682	-1.099201925	0.6773096	1.703858968
SM 42:2; [M+Na]+@7.48	3.93001196	4.640284042	3.822520757	4.543479273	4.762204329	4.379178301	4.896265151	4.27827628	5.130948052	4.321500464	5.283150796	4.320300337	4.122649062	-2.401463757	4.207969436	4.989284344	-0.4355202	5.314879945	-2.225149933	4.351522591	4.509385542	-2.95015397	4.827710313	4.491275364	3.461505864	4.370230485	5.138521616	4.997057905	4.050332089	5.236277233	3.585502881	3.562878523	5.469610733	3.465066623	4.329446257	4.786072027	5.167739199	5.050050875	5.245760828	4.881779026	5.696330363	4.69208056	4.311104679	4.332773581	4.363271355	4.888706195	4.927025694	4.983770641	2.84474529	3.238657995	2.531989748	3.662319495	2.906398317	4.059581283	4.825787121	4.061455835	4.553135493	3.507410966	4.363996731	3.980519244	4.054733662	3.2316211	4.011617861	4.05344462	-14.02664102	4.618273243	-2.071802422	4.605459274	4.551047228	3.494960378	3.59256852	3.001688899	4.381057123	3.809343808	4.148142591	4.168884486	4.584673244	4.05974653	4.836703711	4.745944489	4.936074652	2.392435223	4.169571512	3.791603618	2.612852234	5.181350398	4.295110789	4.342390729	4.332862651	3.13429498	4.812502702	4.535314855	4.206303522	3.838089984	4.011085977	4.777002122
SM 42:4; [M]+@8.58	0.783869098	-0.297536927	0.342607327	-0.135314766	-1.121765582	-0.727352657	-0.781189911	-0.464846119	-0.22596827	-0.494776328	-1.327399553	-0.760062096	-0.239890437	-1.199041126	-1.909483725	-2.198145624	-0.200926115	0.689785793	0.099007643	1.050898643	0.206695283	0.863094498	-1.062936424	-2.765624461	0.144083123	-1.089640808	-1.448243889	-13.79929489	0.510546481	-1.046071305	-0.81265941	-2.205010486	0.368869862	2.090049025	0.076108756	-0.275889235	0.968771503	-1.463454613	-1.167492701	-0.801535338	-1.455368166	-0.660740704	-2.155901282	-2.309664432	-2.14630682	-0.927728406	-0.356578219	-0.938101759	-0.355320546	-0.898018554	-1.287965457	-1.300948305	-1.762803039	0.469873834	0.077810163	-1.260357227	-0.847244026	-0.182327002	-0.616638128	-1.808772087	0.739374668	-0.980203265	-1.816034685	-1.434722817	-2.035953259	-0.752365734	-14.02664102	0.077685444	0.079699144	1.306274348	-2.383323014	-1.076814427	0.200081242	-0.301109796	-0.331763774	-1.369391513	-0.277369291	-1.383576718	-0.662243069	-0.363862611	0.478830455	-0.992345686	-1.983529502	-1.188584274	0.54758996	-0.683632594	-2.347520544	-0.794351369	-0.805315712	-0.184332351	-1.687979504	-0.478865237	-14.07596279	-0.475540022	-0.526237621	1.355186467
SM 43:1; [M]+@8.60	2.967506448	0.513156254	1.885195671	0.733152393	1.815759913	0.543599869	1.943180541	1.301476438	0.942086934	-0.021618891	-0.05130138	2.474313855	0.856078358	-0.393721032	0.485585149	-1.551031567	-2.777201371	1.19031027	0.705810486	1.661632711	1.680906389	-1.548449865	1.541330388	-0.657680182	0.821312252	1.177042477	1.370207191	2.477414633	0.218590307	1.703947347	3.319347978	0.04918571	2.750426968	1.203590326	1.003312342	0.391187968	2.602307861	0.753934041	-0.181896728	0.640875179	0.395856771	1.900225364	1.195923316	1.754189343	0.79840543	1.261812336	2.437134982	1.712369391	3.663973257	1.257078684	2.936154089	0.5394954	1.807203616	1.549660344	3.089791826	0.722812102	1.795589097	0.119764014	0.623627384	-0.587885027	2.332164968	2.376525529	-0.416490248	-0.267537927	-3.476887539	0.970519984	-2.340990159	-0.33043322	0.656114888	-13.99823585	0.430823308	2.438182916	0.490005234	0.507669976	0.839147463	1.665055747	1.468997341	1.444065876	0.99662952	2.692333895	3.510555986	3.42330508	3.328340239	1.566846492	1.375321614	0.321363683	1.571348101	0.557454137	0.793603607	1.80772945	2.594324512	1.988624155	2.32733643	1.635857986	1.126216546	1.730358637
SM 43:1; [M+Na]+@8.74	0.943030477	-0.593756067	-1.44055754	-1.393553509	0.063465833	-1.097941473	-1.325150037	-1.576389198	-0.981208429	-1.531922309	-3.467621632	0.634819701	-1.065230688	-1.552851282	-1.523408136	-3.080456614	-2.66340133	0.249610295	-2.076922609	-0.645261064	-0.154806835	-0.934533345	0.420375666	-1.775729049	-0.800705349	-1.991442491	-0.71794745	0.710362473	-0.722652269	-1.20097211	0.520691739	-2.336416792	0.606394622	-0.303203136	-0.274388879	-5.317485177	1.125796318	-1.969807538	-2.49256462	-1.731551701	-2.433299644	-0.141803968	-0.826383477	-1.463084423	-1.504144914	-0.172394247	-1.412712614	-0.49751199	0.469049676	-1.230616605	-0.486500913	-1.90308491	-0.954939057	-0.060479713	0.507076022	-0.946062295	-0.956859547	-1.581181108	-1.024999115	-1.981771308	-0.306288457	-0.939238513	-1.779764423	-2.147724501	-0.613786687	-0.798007086	-1.429727341	-0.772826081	-2.136587278	0.75026102	-2.810890955	0.607368859	-0.964225818	-2.418505575	-1.893385943	-0.822624514	-0.437807669	-0.623332044	-1.733777604	0.526834354	1.201771349	0.676165517	-0.682177821	-0.601621756	-0.812782496	-1.240979642	-1.993429216	-0.099395458	0.048603625	0.645687836	0.845965433	-0.347286741	-0.692744575	-1.064014692	-0.945689836	0.732242514
SM 44:1; [M]+@8.94	2.658468524	-0.165155452	0.690998344	2.876621157	1.781434258	0.822716497	2.04116988	-1.182602661	1.988840749	0.636664729	-0.10559435	1.240762085	2.33150325	0.51857585	0.408927551	-1.69488702	-1.239708374	-0.175441596	-1.552307155	-1.062319969	-13.76378852	1.844329339	2.611542736	0.356411188	0.104423662	1.006644084	0.798092981	2.979053838	0.513432727	1.929853616	2.796727455	-1.035717289	3.857175889	-13.01575258	1.633684065	0.906013139	-13.76378852	2.045132502	-0.114523947	2.284203304	-1.080650487	2.234242379	-0.225010717	3.347041121	-0.166640707	2.592441402	3.526936018	1.636599931	3.565070189	-1.028545897	1.700399203	0.802513203	0.323868423	0.730103029	0.051811868	-0.132084784	1.715517615	0.160071698	1.155299502	-1.587450664	1.5483603	-0.108890246	-0.041214228	-0.436586283	-2.523187474	-1.473345521	-0.352748449	0.255827491	-2.130526754	-1.99852512	1.04161034	1.671501148	0.478748051	0.785971283	1.253346183	-0.077686706	2.633818413	1.39605801	0.591472375	-1.505880406	4.499843219	1.264846928	3.724018358	1.184177195	-0.726467711	1.052293918	1.606770958	1.413807959	0.436598862	3.055785892	1.718376876	0.366914198	1.064042558	1.412839256	1.146783821	1.804575973
SM 44:2; [M]+@8.11	1.809246799	1.297441611	1.50178053	1.664798265	2.23157178	2.072592564	2.816858572	2.06195281	1.622562559	1.273599403	-0.093592717	1.527469362	1.09673856	-2.779329448	0.784646296	-0.299597538	-3.00275156	2.215720783	-0.276887108	-2.512822824	1.541263038	-1.327392072	1.345335654	-0.082966976	-13.76378852	1.875993238	0.781910919	2.07085687	0.166495676	2.306531877	2.99850702	-0.738948604	3.087680475	-1.551705043	1.709413034	1.43724158	2.153673777	1.142804352	1.171069087	2.432140675	-0.245326121	2.266491357	0.353928283	2.75353261	1.629215658	3.284850121	2.762806306	2.603776991	2.894227601	0.24713046	0.973088476	1.036245535	1.252449489	1.873752062	0.620288587	0.984493904	2.162078819	1.285146451	2.142426891	-0.329171193	2.699955018	0.506395162	0.45056616	0.214324897	-3.413212595	1.609934911	-1.377264087	1.00701116	-2.003268078	2.16379979	-0.422110045	1.436281648	1.116916494	0.348838715	0.7592405	0.720321329	2.907894181	2.623654798	2.147843207	-2.672947857	3.577241754	-0.045694294	4.15163568	1.239083548	0.804844558	1.436807392	2.11385291	0.99490937	1.183442739	1.56639818	0.970842432	1.891341926	0.228329625	1.969661649	0.904875781	1.156981824
TG 40:0; [M+NH4]+@8.83	-1.883289952	-2.526455141	-2.251259209	-1.298986122	-1.686729572	-1.718039997	-1.702663927	-2.609220652	-0.65314565	-2.249258845	-1.576669518	-1.735103305	-2.817504754	-1.345591466	-1.287942098	-2.432190421	-1.348012648	-1.341930269	-1.340726453	-2.764206739	-1.294630049	-2.157001823	-1.468482099	-1.56857477	-1.692372399	-1.818121899	-2.068709509	-1.122439415	-1.72791233	-1.897921749	-2.378491442	-2.062512406	-2.048188117	-1.023340874	-2.485861243	-2.622966819	-0.806024426	-1.075131324	-1.942441797	-1.604453667	-2.407568853	-2.719884734	-2.186549972	-2.015289275	-2.146808913	-1.720930579	-2.292308229	-1.548765848	-0.395030154	-4.265769322	-3.289358961	-2.534647147	-3.232740101	-2.036869369	-2.359155337	-3.264892795	-2.232060283	-1.954387957	-1.629283581	-2.345790541	-1.489925958	-2.291227656	-1.570979867	-0.970599004	-2.433200916	-1.7520783	-1.135672475	-1.862877103	-2.248767339	-2.546976956	-2.521188791	-1.858864512	-3.875970413	-2.509675406	-2.524470217	-2.443537804	-2.264403143	-1.658335894	-2.493529926	-2.518500257	-2.430372557	-3.093142033	-2.771758565	-2.314895516	-2.220119006	-2.712678379	-2.775744709	-2.694162801	-2.104733242	-2.202407975	-1.095544897	-1.528531619	-3.042857606	-2.287128371	-2.046899242	-2.239338378
TG 42:0; [M+NH4]+@9.19	-1.353588506	-2.789847571	-2.316087767	-1.382256406	-2.369915499	-2.001527526	-1.639786157	-2.682778357	-1.058509574	-2.771624516	-1.362224138	-2.193148271	-2.258901267	-2.366043291	-2.248784326	-2.271167841	-1.449718033	-2.024115974	-1.624125605	-1.666827406	-1.511878553	-2.608135247	-1.206651863	-1.804888587	-3.160980986	-2.451654446	-2.361737012	-0.646506946	-1.895721938	-2.875393612	-2.102277118	-2.164256024	-2.277106322	-1.563558004	-2.698799741	-2.364571698	-1.448029195	-1.066541653	-2.323830719	-1.769578469	-2.275920694	-2.776907227	-2.885287402	-2.35024068	-2.390913081	-2.400703393	-2.59597817	-2.028898668	-0.71520288	-2.945373909	-2.810270771	-3.192626667	-2.219279246	-2.943910675	-2.224680721	-3.837673278	-0.907295998	-2.10449075	-2.084824745	-3.174923967	-1.545579394	-2.08300274	-2.57177294	-1.801763577	-1.660268672	-2.020300737	0.102396041	-1.931645923	-3.009495307	-2.188738246	-2.021173099	-1.410292349	-3.623389518	-2.901616264	-4.349395793	-2.37117283	-2.816729501	-2.530285357	-2.43657315	-2.469663145	-2.357135953	-2.350007553	-2.579721663	-2.273439595	-2.490580223	-2.15576462	-3.109157601	-1.812598108	-2.092354501	-2.536574308	-0.873216007	-3.030791855	-2.876895536	-3.123686251	-2.14551625	-2.893002836
TG 42:1; [M+NH4]+@8.87	-2.202146027	-3.834830194	-2.959597607	-3.674589763	-3.085747438	-3.568636106	-2.283817112	-3.331456678	-1.538181499	-3.712519636	-2.30661562	-2.986067552	-3.596315606	-2.590962015	-2.387986038	-4.396785589	-3.424135016	-1.875038008	-2.592940351	-1.943232531	-2.017558105	-2.752265965	-2.10112312	-2.813271249	-3.79024316	-2.953432625	-3.812486647	-1.95903352	-2.821656849	-2.440931469	-1.810541388	-3.075239689	-1.663334381	-2.781161386	-4.074582039	-3.416506844	-2.264381019	-1.569194055	-3.076603907	-2.966950761	-2.887112007	-4.72543477	-2.926068638	-2.455917624	-4.690280808	-3.082303158	-2.962625872	-4.110640072	-0.760663122	-4.312254355	-2.910137024	-5.367245528	-1.52734433	-3.525095477	-3.806479416	-4.430460096	-2.258080744	-3.217317794	-2.429578555	-3.890408966	-1.987216224	-3.328669753	-3.585949903	-2.657337925	-1.567472818	-2.079338548	-1.295202824	-2.483423486	-2.761796506	-2.879733293	-3.329618842	-2.027410626	-4.780990348	-3.325914476	-4.965747538	-2.788231915	-3.158705223	-2.319399069	-3.851243238	-2.691560321	-3.708693961	-2.979923008	-3.33470949	-3.232138866	-2.873678263	-3.455517144	-3.978706656	-3.041721366	-3.149940918	-3.606778087	-1.038394773	-3.210398951	-3.549052961	-4.419323586	-1.875347948	-4.143821558
TG 44:1; [M+NH4]+@9.21	-0.661963048	-3.2728183	-2.850747952	-2.039980144	-2.439987594	-3.450396282	-0.555976271	-2.236818278	-0.515739108	-2.352574488	-1.736573532	-2.579074563	-2.799858738	-1.798886339	-2.269705874	-2.325649974	-1.674271337	-1.666726674	-2.004876191	-0.772233204	-1.499231458	-2.690130093	-0.900618974	-1.660449967	-2.769295399	-2.615484241	-2.791387995	-1.164435114	-1.339664316	-2.196320172	-1.079931305	-2.165646844	-0.791661795	-2.028286972	-2.754723279	-1.692963448	-2.27335243	-0.009308186	-2.033993207	-1.792021534	-1.904289757	-2.708428182	-1.308690303	-1.911906671	-2.132147246	-2.735376394	-2.550559913	-1.729054937	-0.315133592	-3.599817814	-1.418459507	-3.152048669	-0.91970016	-2.841737021	-2.49806151	-2.889508445	-0.000628479	-3.134840474	-1.02031058	-2.77300659	-0.843463466	-1.417369292	-1.599724487	-2.257017654	-0.550448088	-0.970376432	0.020595869	-1.840275562	-1.613725671	-1.806330059	-1.462549444	-0.479144545	-3.559432226	-2.088714042	-3.210123712	-1.672495797	-2.778619172	-1.592422795	-4.156680714	-1.992523884	-1.782536412	-1.732648909	-1.608975691	-2.306135117	-2.751036377	-1.870790326	-3.829228957	-1.331537257	-1.418848409	-2.775213401	0.574039104	-1.625479899	-2.427352251	-2.666249085	-1.040030107	-2.752428823
TG 46:0; [M+NH4]+@9.785	1.43293164	-0.361031266	0.31879727	0.599387645	-0.267435821	0.336198236	0.828178127	-0.115773933	0.783046284	-0.072193882	0.565156186	1.000755483	-0.021880568	0.654455929	0.307413992	-0.890549501	-0.37959602	1.454725662	0.234409361	2.069820587	0.82148351	-0.22326297	1.163386023	0.111989398	-0.178096314	0.156041651	-0.520706308	1.390091987	2.113932554	0.21229098	0.664456481	1.753245829	0.497238627	0.354109537	-0.437460824	0.147117184	1.131221617	0.822225353	-0.331707964	0.298684231	-0.043687783	-0.4577471	0.88789832	-0.288444965	-0.079626062	-0.151245034	-0.200546377	0.340120157	1.100066633	0.775244374	0.148049059	0.74379144	1.694810556	0.089971011	0.911978939	1.434839832	1.865926591	1.388407737	1.13805994	0.304316688	1.554550033	0.969902163	0.118634441	1.351243661	2.000738039	1.547278151	2.800490391	1.200264282	0.409875782	1.571739449	0.685504363	0.724806923	-0.620022452	0.69374529	-0.983321569	0.409062142	0.551088342	0.98183245	-0.881789527	0.729482619	0.708548265	0.696315026	-0.385406141	1.926575485	1.157465767	-0.075747293	0.823746992	0.919081728	1.287120139	1.648264411	1.621434575	0.555002735	0.024341409	-0.443632428	0.802441411	1.679627872
TG 46:1; [M+NH4]+@9.52	0.934726739	-1.087512606	-0.643243017	-0.643080501	-1.376781482	-1.104274671	1.062056591	-0.919639839	0.711215177	-0.703402942	0.742753523	-0.36267354	-1.164834424	0.005772375	-0.352483381	-2.035518928	-0.474663922	1.052686744	-0.772350811	1.296318447	0.460043995	-0.981737386	1.170420982	0.134062675	-1.344891551	-0.509882251	-1.157968541	0.839601615	0.755009144	-0.120703507	-0.016070196	-0.289995786	1.001165477	-0.789441093	-1.292929146	-0.327804466	0.671369697	1.117248121	-0.314610691	-0.316131944	0.002031994	-1.279106857	0.606983047	-0.517220553	-0.429842019	-0.894577269	-0.358502003	0.000155786	0.996663168	-1.316937664	0.173352421	-1.198629652	0.905564427	-1.519438829	-0.503128561	-0.232979322	1.660961468	-0.151529395	0.692550009	-0.846422738	0.561402842	0.372575635	-0.420641612	-0.14746442	0.864595855	1.528279554	1.994847898	0.385697727	-0.056028798	-0.033986402	0.192651412	0.596057593	-1.14643771	-0.312102952	-2.055524021	-0.118116309	-0.498284954	0.22779	-1.516854116	0.501465119	-0.413366256	-0.411298774	-0.181443401	-0.186679786	0.494824635	0.148420161	-0.271628675	0.382371551	0.090102194	-0.913406264	1.86989676	-0.223484275	-0.80864656	-1.363320362	0.52381517	0.392922247
TG 46:2; [M+NH4]+@9.25	-0.456030157	-3.069146061	-2.188176428	-2.524820985	-3.121213692	-2.330407921	0.347422587	-2.20326983	-0.497508163	-2.403892476	-0.284178962	-2.245803769	-2.135550437	-1.026730627	-1.564040494	-2.380335985	-2.311722669	0.042577651	-2.17998926	0.351306752	-0.90659163	-2.627996383	0.320503018	-1.954042209	-2.391317833	-1.533336282	-2.05481626	-0.548672196	-0.640897209	-1.075810229	-1.517827229	-1.119885889	-0.005552574	-1.787654499	-3.043897908	-0.86544874	-0.473481221	0.315330204	-1.139329952	-1.32875935	-0.811795544	-2.206922699	-0.891929621	-2.019296347	-1.297350808	-2.129543596	-1.71296082	-1.231854288	-0.694754399	-3.635441524	-0.521679229	-3.373849219	-0.65302957	-3.278971808	-3.460353737	-2.505180976	0.416783147	-2.268118512	-0.299938253	-3.335353174	-0.784265295	-1.097116807	-1.495290502	-1.926747821	-1.232301751	0.437444423	0.914224634	-0.637589889	-1.230500777	-1.934688375	-1.272820068	-0.472478943	-2.270119641	-1.998768123	-2.690423273	-1.219043197	-2.650227734	-0.868380364	-2.479166908	-0.46362263	-1.394703994	-2.005545001	-1.509111993	-2.276904088	-0.980024163	-0.74613062	-1.515521022	-0.461272966	-1.605316955	-2.711829773	0.891902756	-1.058768859	-2.505392204	-2.315321479	-0.335774015	-1.374833275
TG 48:0; [M+NH4]+@10.07	2.94932322	2.063175911	2.167712005	2.674045058	2.151636921	2.036042209	2.416137154	2.013712466	2.09276218	1.797956306	2.834409703	2.744717779	1.798154883	2.364865915	2.392641409	1.137913188	1.692290741	3.540720109	2.135139045	3.753332977	2.535482947	1.328712957	2.638318137	1.55528232	1.646577011	1.934114546	1.462411	2.983459201	3.690463101	1.99654763	2.415465108	3.959499497	2.268395123	2.648449993	1.461268063	2.052551521	2.570194236	1.739031651	1.422325849	2.039768957	1.525244302	1.250504836	2.565110445	1.589172869	1.869118002	1.820082189	1.64712449	2.428917925	2.418995493	2.505624446	1.486244763	2.41987046	3.141223217	2.028394369	2.30501683	3.645856061	3.179390184	3.404254345	2.976524701	2.154986776	3.435341845	2.540537779	1.72613437	3.330369416	3.712336522	3.151074401	3.737232308	2.799446644	2.165299383	3.398724633	1.793399674	2.065798279	1.467635762	2.310750525	1.033083858	2.287773471	2.761330462	2.419946752	1.307697675	2.37583044	2.819410536	2.474839672	1.535752234	3.884942177	2.546150512	1.529155754	2.63774309	2.453383937	3.463676119	3.782163693	2.883311646	2.108465461	1.83056792	1.338741701	2.762520775	3.260426302
TG 48:1; [M+NH4]+@9.815	2.414367923	0.887744423	1.66880908	1.240935401	1.159902551	0.990209973	2.814819718	1.192115138	1.535921857	0.689113397	2.598834762	2.341612891	0.701081004	1.876589891	1.516582011	-0.092843688	1.009898938	3.520875384	0.881141593	3.840919832	2.675745757	1.145531637	2.730405021	1.828324454	0.457455617	1.368702321	0.759527198	3.042469175	3.51453251	2.39683192	1.750792882	2.435727705	2.798077948	1.284079473	0.809477536	1.654510821	2.882470498	2.044283444	1.266765993	1.867874322	2.268894985	0.937579513	2.74999778	1.709131538	1.795849928	1.166993306	1.783559456	2.408643687	2.326464376	1.540576017	1.611002655	1.260787171	3.523398041	0.623824249	1.846836977	3.035276899	3.075559629	2.687407412	3.041298906	1.409414689	2.662494885	2.537474987	1.470343869	2.751853654	3.236268788	4.117085082	3.557788324	2.86849113	2.014921188	3.051813359	1.964852768	1.955619077	1.140793835	1.673686397	0.207515704	2.131145808	2.135291855	2.287902715	0.123297413	3.058285428	1.722205484	1.355710635	1.669646958	3.025542531	2.739120672	2.031372931	1.881280909	2.431422721	1.810189667	1.55123391	3.103630368	2.223680724	1.044711482	0.893660605	3.193171232	2.983072868
TG 48:2; [M+NH4]+@9.58	1.349715276	-0.663181848	0.67406707	-0.372330086	0.012458704	-0.213137022	2.417435887	-0.226107827	1.027262354	-1.052017715	1.780887258	0.156155071	-0.251213037	0.817578189	0.297307184	-1.647916152	-0.068185586	2.787611904	-0.123788	2.968156027	1.962630291	-0.414907067	2.163784019	1.357580951	-0.171508064	0.762059251	0.160869806	1.8954277	2.205187828	1.658055604	-0.18514562	1.494137095	2.433352104	0.141546928	-0.406916909	0.92045151	2.085508171	1.749105169	0.606395082	0.938222574	1.729369002	0.319196218	1.858966885	0.958440697	0.842930297	0.011562803	0.838220421	1.706430551	0.83122258	-1.565691487	0.945025547	-0.663106857	1.874117643	-1.144732181	-0.071758695	0.929156612	2.267024897	0.432911006	2.059674125	-0.269782443	1.438770128	1.345644729	0.613647422	0.699899546	1.528738264	3.526347747	2.702133971	2.10874085	1.085795608	0.543719249	1.401377557	1.136882874	0.507084328	0.474017744	-0.918717	0.6795876	0.890246732	1.342927683	-0.762437952	2.282694949	0.881808269	-0.815914618	0.710417876	0.470149126	1.948186849	1.637715958	0.415817138	1.322883109	0.889315431	-0.073324689	2.503686401	1.174957989	-0.074139607	-0.387147698	2.156438967	1.67892372
TG 48:3; [M+NH4]+@9.30	-0.323809972	-1.164788814	-0.843566107	-1.404399396	-1.362399916	-1.569832069	0.967448419	-1.23641272	-0.227879501	-2.660901645	0.132198807	-1.603092573	-1.38837311	-1.693998545	-1.042758269	-3.104250191	-1.425049688	0.761468927	-0.212254448	0.777157703	0.012086406	-1.753944996	0.824260964	-0.221815283	-1.058731523	-0.997468716	-1.096797089	-0.244891768	-0.265253565	-0.000155786	-1.717808356	-0.589898549	1.187632625	-0.166854094	-1.132751666	-0.346024785	0.412285704	0.42098948	-0.973578716	-0.484547653	-0.143816139	-1.211563847	-0.091082606	-0.433165378	-0.652536373	-1.405784286	-0.333051697	-0.261660656	-0.652318312	-1.289129095	-0.648904788	-2.000087926	-0.139221854	-2.539565703	-1.460471851	-1.408627057	0.787643606	-2.323391632	0.087321296	-2.382994275	0.413085512	-0.584094591	-0.852008763	-1.785885785	0.153824221	1.408407313	0.508224139	0.256929819	-0.511457678	-0.409015344	-0.356163099	-0.428592576	-1.524197435	-1.101824864	-1.817109416	-1.266331533	-1.314123454	-0.643135595	-1.688213025	0.501928973	-0.042437041	-1.71602665	-0.597489644	-14.33962535	0.106908362	-0.131762973	-0.922669729	-0.027246248	-1.149128635	-1.409639996	0.734052352	-0.636173394	-1.239011208	-2.224549172	0.308820749	-0.141902921
TG 49:0; [M+NH4]+@10.15	-0.079975794	-1.236154055	-1.411081278	-1.082830927	-0.997988717	-1.065941396	-1.119286982	-1.313885733	-0.517109598	-1.930593933	-0.571982296	-0.856529649	-1.556811205	-0.648896991	-1.161677445	-1.51536297	-1.032404989	-1.017434577	-0.839110768	0.573991411	-0.998826602	-1.326503946	-0.598649699	-1.380370764	-1.182597604	-1.063400563	-2.123340758	1.050437949	0.273353619	-1.31687241	-0.079152531	-0.785792624	-0.697819731	-0.515051567	-2.110656563	-0.474671044	-0.687978795	-0.843775182	-1.608439661	-1.09867919	-1.980820023	-1.459826493	-0.636832122	-1.047561402	-1.436007098	-1.212489184	-0.992107944	-0.427756304	-0.382516284	-0.166769258	-0.705819009	-1.229599088	0.589519953	-1.047609992	-0.576311736	-0.224568296	0.13607089	-0.34809572	-1.065775609	-1.065319133	0.170768381	-1.285655032	-1.378282371	-0.195841374	1.310375571	-1.271798701	0.762350142	-1.093948905	-1.168642347	1.496751617	-0.702230774	-0.468797821	-2.249147205	-1.415637895	-2.14283946	0.511796862	-0.493087597	-0.947845336	-1.757355604	-1.446390255	-0.607471991	-0.378598716	-1.391533028	0.864387965	-1.12034796	-1.183609122	-0.64431583	-0.779404706	-0.206875371	-0.118929413	0.461988267	-1.235149522	-1.071198324	-1.216662404	-0.140413989	-0.540224239
TG 49:1; [M+NH4]+@9.96	-0.463989672	-1.263472098	-0.493541532	-1.833630932	-1.556537451	-1.877756797	-0.009405517	-1.861580423	0.033030562	-1.990828745	-1.236900229	-1.004449246	-1.500746824	-0.486351615	-0.873093062	-3.224483398	-1.187996412	-0.05430404	-1.013007682	0.92020681	-0.345310503	-1.053086388	0.202574423	-1.382173255	-1.789458456	-1.067992146	-2.570628603	1.269551627	0.900040198	-0.988445495	-1.060933257	-2.460924717	-0.117327614	-1.127265765	-1.378990889	-0.989240719	-0.406028894	0.143709542	-0.92625059	-1.253020136	-0.639393708	-1.17123756	-0.75644645	-0.869190769	-0.82867904	-1.126297869	-0.719950124	-0.207737516	-0.77509467	-0.847875791	-0.969902835	-2.09133578	1.220915148	-2.287288535	-0.761081484	0.034650895	0.154540837	-0.210848206	-0.569009049	-0.817164776	0.218304263	-0.861924243	-1.534705845	0.121738274	1.530358111	-0.02959125	0.454390246	-0.871667397	-0.991543932	1.418353953	-0.249895472	-0.128545572	-1.470021478	-1.259697534	-2.023236175	0.526649214	-0.383892447	-0.567133968	-2.264979383	-0.921194633	-0.416004623	-1.006119584	-0.556495257	1.091208052	-0.25054398	-0.807895276	-0.529122024	-0.039581553	-1.123792053	-1.004900345	1.103409463	-0.803755984	-1.366109445	-1.575945369	0.899012562	-0.294024417
TG 49:2; [M+NH4]+@9.70	-1.256573785	-2.888588315	-1.562109159	-3.017943919	-1.65187772	-2.946508406	-0.107705086	-2.436501729	0.000802624	-2.798124252	-0.665040299	-2.214113933	-2.291259674	-1.348370997	-1.775780694	-1.99182957	-2.248783874	-1.340002691	-1.746452651	0.299609422	-0.964915202	-2.174425	-0.131303854	-1.170944271	-1.851456165	-1.433539525	-1.662360367	0.102086938	0.027849075	-0.812806039	-3.165418017	-1.771288237	-0.151794152	-3.088434002	-2.653305473	-1.678027688	-0.573815793	0.197273467	-1.331984091	-1.265403347	-0.806764999	-1.948967456	-0.900346184	-1.34038203	-1.501933588	-1.873392567	-1.087672873	-0.688880118	-2.232074419	-2.606492341	-1.682441363	-2.830799158	-0.055719067	-2.514484266	-2.1746365	-1.601601496	-0.022492106	-2.664517905	-1.260893658	-2.283648409	-0.924295178	-1.373719784	-1.358885623	-1.599516069	-0.077273511	-0.09397413	-0.665075658	-1.430122979	-1.841045462	-0.717291459	-0.990392528	-0.81816714	-2.225586259	-2.48512707	-2.527997519	-0.607738228	-1.651204475	-0.985511563	-2.913351112	-0.980148809	-0.902490424	-2.305533735	-1.619092516	-1.498218545	-1.135102072	-1.095545903	-1.557308758	-0.804832365	-1.614687916	-2.480448431	0.579781688	-1.166163331	-2.308516947	-2.127916829	-0.090531982	-0.978828807
TG 50:0; [M+NH4]+@10.33	3.281487457	2.155769892	2.206895414	2.634343866	2.319569809	2.200341334	2.599092612	2.207917786	2.160252524	2.00830046	2.282888029	2.682024231	2.05817585	2.310877417	2.238025915	1.177214196	2.018794903	3.121119622	2.326423124	3.03215434	2.377751634	1.556376814	2.517151055	1.309258934	1.693404833	2.014931909	1.36690709	3.218101945	3.639186243	1.79722727	3.093125971	3.52101879	2.285799903	2.662814332	1.522193299	1.900766385	2.500190788	1.518455837	1.334659617	1.675799316	1.300999786	1.049783108	2.663949195	1.662426654	1.880780432	1.775796742	1.623498104	2.164202034	2.929970525	2.815134486	2.058394015	2.797095748	3.619872073	2.236085579	2.434634439	3.68737986	3.229303007	3.283462051	3.463164679	2.233116195	3.769573644	2.200021276	1.955991955	3.338893661	4.26520655	2.775560823	3.619730212	2.683116763	2.18807395	4.074252672	1.488498669	2.375103137	1.250836883	2.894034194	1.138952534	2.299874989	2.678889709	2.097374363	1.711232965	2.103450245	2.480471705	2.802507031	2.037473842	3.668795995	2.235240953	1.533320631	2.190437039	2.483660137	3.596872951	3.864777445	2.786289066	2.101641205	1.962536744	1.075469377	2.756644946	3.139072841
TG 50:1; [M+NH4]+@10.11	4.323547245	3.012940139	3.554420464	3.427513433	3.621995236	3.010307727	4.751583507	3.377800494	3.176468468	2.777966161	4.013469899	4.30209592	2.665425034	3.999692958	3.246689879	1.281091923	2.849423959	5.320013516	3.018036976	5.491744507	4.32437173	2.828156047	4.281151692	3.475696119	2.684552601	3.593893913	2.725247953	5.000308609	5.275794887	4.177972486	3.660692939	4.200928003	4.009886341	3.4279615	2.960175294	3.294676976	4.482637234	3.403680344	2.952879976	3.718872848	3.649870278	2.497779872	4.206546655	3.53618078	3.657818939	3.156944261	3.489495038	4.2693068	3.902216109	3.733649057	3.110265377	3.653181366	5.651201776	2.875250498	3.555051493	5.373957737	4.511948739	4.943739346	4.697113458	3.719155768	4.83243819	4.245947987	3.410235737	4.993050499	5.305702785	5.794010775	5.123420595	4.718704188	3.74527397	5.430610679	3.444554995	3.700286793	3.037305806	3.408529337	2.143675857	4.087483925	4.276146016	4.125570454	2.231894765	4.680969007	3.955940687	3.436076569	3.635650732	5.447102226	4.292813839	3.173309976	3.90000171	4.367293293	4.109591312	4.071771564	4.741701468	4.036926339	3.163400136	2.955845416	5.306415428	5.043393615
TG 50:2; [M+NH4]+@9.86	3.234286098	1.751318927	2.670850512	2.217183469	3.028138429	2.148753113	4.603908901	2.408724059	2.390468738	1.472545856	3.887470154	2.634606212	2.036555017	3.532336957	2.464588776	0.359827103	2.484795174	5.356325041	1.991910312	5.387192332	4.283949281	1.98794621	4.114215204	3.393590136	2.302716705	3.151264867	2.28828022	4.220725443	4.626279436	4.213333462	1.764594478	3.988568954	4.17531537	2.487808049	2.165562721	3.010138655	4.564502965	3.32801474	2.799563437	3.145289407	4.032406742	2.595456323	4.128336433	3.36899125	3.210156143	2.532784906	3.445736684	4.383641737	2.452719738	1.983931901	2.527473816	1.795150483	4.433983126	1.045315188	2.085528762	3.923054785	3.853434114	3.051101195	4.135561554	2.183346856	3.829163644	3.456641365	2.781625096	3.479998878	3.860770889	5.954506313	4.302243171	4.557660193	3.539862264	3.467440901	3.287975147	3.189099197	3.175214466	2.767747249	1.413395065	3.253513844	3.419140823	3.892246691	1.779396593	4.745412971	3.31277746	1.470274729	2.52016999	3.268864752	4.381863575	3.425224887	2.905561228	3.505906089	3.216918958	2.375538739	4.320392105	3.758811422	2.289877709	2.125279297	4.857494032	4.229504882
TG 50:3; [M+NH4]+@9.615	1.669475495	0.533557234	1.333242378	0.402658167	1.7634293	0.753043803	3.486548832	0.811423145	1.151340394	-0.175283461	2.466427905	0.649573363	0.631918546	2.162609978	0.928239875	-0.98712619	1.133619559	4.069308056	0.108257092	3.860365383	2.819548883	0.242694083	2.811633264	2.249535604	1.16045002	1.817922552	1.391635822	2.802409002	2.792840408	2.594145073	-0.15247065	2.490624961	3.272033042	1.201788503	0.897327308	1.87261754	3.26055961	2.24117513	1.644175779	1.871436382	2.607037407	0.862435771	2.716720987	2.372585389	1.867012614	1.131705942	2.40206046	3.026961822	0.427233075	-0.065847033	1.349237428	0.061154876	2.393835608	-0.731244944	0.378504897	1.564859904	2.79926044	0.584777994	2.769352965	0.237372883	2.024054362	2.044026019	1.328566739	1.346596514	2.18958616	4.729973019	2.503853414	3.182598809	2.097780018	1.225651051	1.808319691	1.609325169	0.97359246	1.145703067	-0.029757061	1.383736685	1.580469026	2.123553559	0.400011498	3.353905891	2.471612774	-0.47333848	1.067914554	0.665400741	3.000696025	2.573009105	1.442066832	2.255347166	1.268025002	0.449827498	2.936960705	2.523904255	0.82372073	0.734343276	3.331127573	2.765301037
TG 50:4; [M+NH4]+@9.38	-1.493286631	-2.41111829	-1.954585756	-2.566770087	-0.660203514	-1.442112926	0.764402818	-1.097571233	-0.789311397	-2.152608392	0.596814756	-1.762149428	-1.467352462	-0.148490772	-1.066345333	-2.274141018	-1.096891495	0.696844449	-1.267918879	0.714451292	-0.230419935	-1.729848348	0.130678877	0.486216336	-0.824117128	-0.242897147	0.067266982	-0.589496618	0.358136078	0.174682283	-2.001797425	-0.079237952	0.850090723	-1.324132165	-1.100760914	-0.192195841	0.490097456	-0.222521491	-0.065587072	-0.303062444	0.727220678	-0.851737953	0.497434133	-0.616252914	-0.645552457	-1.259375379	0.197356887	0.487906441	-1.69910392	-2.549389593	-1.02498537	-3.178923254	-1.30370468	-3.576247895	-1.35555155	-1.44209429	0.364649556	-1.580110983	0.254274023	-1.698083703	-0.220417026	-0.678391865	-1.366409399	-0.684310725	-0.262190882	0.963803504	-0.646360161	0.210095065	-0.251700162	-0.816641965	-0.492860798	-1.074213916	-1.056978188	-0.968628685	-1.598996615	-0.745838364	-0.738480425	-1.21040266	-2.295707285	0.291644969	0.419074962	-1.895669158	-0.745619446	-1.606701853	0.006227275	0.705015098	-1.403074136	-0.167439928	-0.715876254	-1.707470831	0.697507208	-0.614750474	-1.184322042	-1.290831064	0.57235017	-0.384480386
TG 50:5; [M+NH4]+@9.10	-2.025217926	-3.031626951	-2.13937497	-1.563202984	-1.438560062	-3.102064493	-0.344183752	-2.342416311	-1.694319138	-3.559398118	-1.591226808	-3.413776465	-2.203671821	-1.913648986	-3.116298753	-4.402297774	-2.042721666	-0.31102375	-1.563107334	-2.647917347	-1.382639983	0.048146014	-2.540011849	-2.037118073	-1.221579145	-2.777427164	-2.507488632	-1.754959779	-2.799173555	-1.520001858	-2.302784161	-2.966924889	-3.059700233	-0.566379333	-4.070121394	-2.527778921	-1.196684048	-1.423814905	-2.042857631	-2.226802485	-1.874528433	-2.017314699	-2.300446719	-1.583195451	-2.00618337	-2.196916033	-1.704997798	-1.74082667	-1.54807376	-3.542984535	-1.319530797	-4.010809646	-2.069255454	-3.576479188	-3.792978715	-3.572245393	-0.813904271	-3.842307347	-1.533380705	-4.710748249	-1.572867445	-4.507783016	-2.217149117	-2.589421556	-0.50151864	-1.569256905	-2.981005225	-2.883859304	-1.646014783	-1.086992932	-2.838053293	-2.135199422	-2.219887847	-2.714351682	-3.281654341	-2.912706823	-1.526021825	-2.222760124	-2.703861594	-2.155613342	-1.133940389	-1.592667353	-0.843791635	-2.989048497	-2.790113138	-1.312637001	-2.915261752	-1.752121649	-3.666310899	-3.227642172	-1.037934163	-1.43674641	-2.71095535	-2.732069138	-1.023364444	-2.448613107
TG 51:1; [M+NH4]+@10.225	0.777167786	-1.384201311	-0.016939031	-0.898642459	-0.407352964	-1.012231387	0.944134856	-0.627968577	-0.587487114	-1.382573703	-0.496986194	0.156925157	-1.259952521	-0.385441842	-1.963731356	-2.330974004	-0.745356475	0.512674582	-1.645529008	2.029684881	-0.538526732	-0.796165045	0.024606862	-0.358362168	-1.171859164	-1.081382675	-1.711748974	2.50402613	1.301576424	-0.055436825	0.54113972	-0.857593861	0.423110176	0.175810674	-1.337055328	-0.709127437	-0.282783611	-0.135057724	-1.219132853	-0.268498758	-0.357865689	-1.288325429	0.472344337	-0.268633562	-0.353520081	-0.674705073	-0.418342057	-0.074707	0.67602035	0.722813234	0.636024914	-0.679470991	2.674463755	-1.005058411	0.105508553	1.089889173	0.678170828	0.674956181	0.473046992	-0.158751398	1.015219727	0.401442725	-0.269342437	1.233456952	3.015274378	0.560595618	1.53784281	0.050049037	-0.784725158	3.367645487	-0.029429524	0.354273831	-0.795513835	-0.673970455	-2.024047265	1.899769954	0.331476074	0.387378333	-1.496064642	0.035028482	-0.004754399	0.305935986	0.926346476	2.14899381	0.145724283	-0.841967799	-0.262263839	0.690637779	-0.181854109	0.031420285	1.248893646	-0.03942973	-0.665752042	-0.929995718	1.833884211	0.874092834
TG 51:2; [M+NH4]+@10	-1.346761282	-2.201868134	-1.561389833	-2.102698789	-0.765988986	-1.870629197	-0.322899146	-1.843605578	-2.674875457	-3.373927095	-1.551579513	-1.80863736	-2.386871935	-1.524123716	-2.213487104	-2.806141509	-1.827420006	-0.283655999	-1.977169339	0.404351754	-0.510758301	-2.16261462	-0.157857028	-1.093185101	-1.909993269	-1.019338901	-2.628992041	0.599544681	0.429757146	-0.371136538	-2.00241142	-1.467734117	-0.205588644	-1.262897724	-2.7321421	-2.680618482	-0.351910376	-0.521175042	-0.971351648	-0.947355259	-0.3816332	-0.85161829	-0.674645612	-1.209208193	-1.46540347	-1.772259793	-0.89105354	0.267810672	-2.537465613	-1.942691672	-1.153325746	-2.845759465	0.009612792	-2.599715973	-1.861114842	-0.909785709	-0.833905042	-1.96603902	-1.215318934	-1.338595887	-1.059219354	-0.978970658	-1.866712168	-0.30925654	0.570338714	-0.258939904	-0.579978163	-0.981771964	-1.113278012	0.825117347	-1.586458359	-0.802560123	-1.029057417	-1.211662582	-2.717575143	-0.10272549	-0.522909663	-0.497243584	-1.935181545	-0.738285547	-1.432444096	-2.025485113	-0.845173543	-0.428343881	-1.26284945	-0.913459483	-1.008433176	-0.438987627	-0.937289541	-2.041326728	0.045941195	-0.836184024	-2.350752293	-2.156481826	-0.539299002	0.018286895
TG 51:3; [M+NH4]+@9.78	-1.134183011	-2.486005747	-1.456367407	-3.197540269	-0.7212401	-2.276742275	0.695198261	-1.574185368	-1.494998124	-2.831394238	-1.34225221	-2.20005444	-1.805380264	-0.561197657	-1.941172765	-4.164008642	-1.103886687	-0.0038662	-2.646356471	0.676627366	-0.990725577	-5.584413039	0.040164951	-0.435784386	-1.474177547	-1.495353517	-1.905790973	0.522424066	0.326789164	-0.82847788	-2.598978202	-1.301033948	0.281839418	-1.110725387	-1.824340534	-0.97674362	-0.061172685	-0.483781837	-1.045683778	-0.818510325	-1.185460148	-2.641996591	-0.593897703	-0.60927864	-0.689539938	-2.029651415	-0.376287981	-0.319462681	-1.818752577	-2.806256048	-1.264537069	-3.54871932	0.214698855	-3.168846084	-1.96552967	-1.354749368	-0.288207864	-2.959650006	-1.094823693	-2.24394392	-0.613619647	-0.917580141	-1.443306807	-1.552021571	0.316581615	0.65530024	-0.33261171	-0.54879277	-1.753918	-1.229008518	-1.107911845	-1.264759062	-2.130150035	-1.841065026	-2.033556802	-0.457229491	-1.346526518	-0.878990497	-2.087694594	-0.74616587	-0.59838413	-3.551612062	-1.129600288	-1.890196309	-0.595143263	-0.943590235	-1.024940529	-0.517483493	-1.646159782	-3.022389761	-0.090587211	-0.406366175	-1.826601932	-2.092010017	0.719377773	-0.530551902
TG 51:4; [M+NH4]+@9.54	-2.551457717	-4.676337608	-2.303851025	-3.352191954	-1.245426343	-4.167477671	-0.937563081	-3.401759991	-2.1396746	-3.30955385	-2.419453801	-2.856396289	-3.083461879	-2.944990592	-2.621462874	-4.31353437	-3.018187375	-1.580654778	-3.329588441	-2.76702221	-2.294614168	-4.376964421	-1.637411786	-1.605104726	-1.888198581	-1.339461427	-2.936467884	-0.245508026	-0.190299849	-1.713023386	-2.790487755	-2.915672326	-1.402292624	-1.832852531	-1.876262586	-1.96387311	-2.370672438	-1.026339523	-1.52648385	-2.260407152	-0.781315682	-13.77040964	-1.430289946	-1.98886614	-1.883227815	-2.3633812	-1.206434426	-0.437691503	-2.570485467	-3.917849157	-2.295596614	-4.597396556	-1.079798662	-3.062380069	-3.133621657	-3.179621997	-1.311634585	-2.733483273	-2.446763514	-5.285226026	-2.004211209	-2.392501848	-2.852332388	-3.84741539	-2.421818082	-1.29303916	-1.557617686	-2.318071656	-2.452779686	-1.537990431	-2.27133911	-2.542574706	-2.786985398	-2.384450411	-3.143879781	-1.417192862	-1.586496833	-0.96734639	-4.214398134	-2.519928717	-0.140052019	-2.868938058	-1.776499617	0.131228274	-2.244873042	-1.746195393	-1.35830232	-1.727406454	-2.772764671	-1.263603912	-0.841728289	-1.562754011	-2.866828085	-3.016029598	-0.644837392	-0.648095902
TG 52:0; [M+NH4]+@10.6	2.886496706	1.60364691	1.339696204	2.048267493	1.819287918	1.655218011	1.919306335	1.693555611	1.228296856	1.002289	0.819984955	2.247633954	1.103658747	1.481384698	1.335096917	-0.101086933	1.224447039	2.171346531	1.607314156	2.79477438	1.749194711	1.290973196	1.987475819	0.525275404	0.93943313	1.2016497	0.991467458	2.626722451	3.447348707	1.447029967	3.086092886	2.022097238	1.60168608	2.315379093	0.769121595	1.35183617	0.777081624	1.141572011	0.923242116	0.113889258	0.561613472	0.837314733	2.053667658	1.069833188	1.071537982	1.080962927	0.27960217	1.657619635	2.324674754	1.916059939	1.52892907	2.298489042	0.960138739	2.073780024	2.218650428	1.995317887	2.525959976	2.609408396	3.333242665	2.319223316	2.887083081	1.558552274	1.376814463	2.7774446	2.294153789	1.544717615	2.507891128	1.661821441	0.889532956	3.296722436	1.728634871	1.909526793	0.680289098	2.889099788	0.701660538	1.809103462	1.931012898	2.100331089	1.359138225	1.750464247	1.468227109	2.453007781	1.88597317	2.093246055	1.231898531	0.949508324	2.139106261	2.363257709	3.3984289	3.319624127	2.219252738	1.3876753	1.217289445	0.248035347	1.901476012	2.773469507
TG 52:1; [M+NH4]+@10.325	4.363197558	2.409232133	2.870382199	2.844719961	2.880695432	2.426659134	4.023450219	2.652543174	2.409494445	2.284282272	2.636915381	3.846567429	2.137611844	3.059166682	2.440489787	0.084345389	1.8239862	4.543193348	2.486692243	4.887694515	3.361150339	2.539336745	3.470456873	2.440381431	1.9035437	2.842542839	1.750043958	4.559295707	4.683524127	2.896324297	3.965548088	3.355298926	3.018841966	2.876446537	2.568487058	2.255440282	3.615270403	3.202011698	2.178931843	2.854174367	2.161249478	2.325796239	3.353821958	2.480400933	2.986677779	2.594830479	2.449302868	3.960144841	4.116722508	3.837080722	3.622455568	3.562567362	5.847161528	2.472348288	3.381204178	5.089745117	3.944403719	4.653594947	4.545004897	3.530808552	5.133995088	3.448796482	2.82495402	4.730461949	5.555887841	5.097326794	4.880579788	3.818662391	2.813924458	5.999532186	2.897828951	3.791135756	1.703644809	3.292581298	1.750375933	3.562165825	3.521071009	3.586223203	1.662544927	3.830794138	3.076755675	3.890745951	3.64098445	5.183270929	3.393525102	1.848249296	3.303707919	4.000197831	3.40618328	4.098429631	3.96173466	3.035738859	2.461849008	2.4133467	5.305010646	4.612979652
TG 52:2; [M+NH4]+@10.125	4.673018307	3.301045391	4.305601966	3.540058504	4.775785732	3.633283889	6.077058564	3.988411941	3.788972051	3.094271616	4.563401879	4.483615647	3.264911003	4.917538755	3.59695688	1.578572462	3.917719409	6.488929203	3.656673697	6.50274307	5.349110043	3.488835874	5.249833215	4.424411806	3.714881019	4.54533293	3.590313494	6.016044591	5.921183198	5.730007217	3.620348906	5.244477744	5.594991608	4.068859675	3.569365666	4.227374846	5.714153895	4.399248087	4.274713275	4.44438208	5.081067197	3.936864501	5.286288665	4.727261992	4.702455146	3.865990768	4.732441565	5.575226269	4.10790054	3.503427096	4.148094992	3.418329297	6.692856633	2.602536909	3.714419927	5.563354285	4.941563233	4.97497563	5.454315167	4.024301114	5.5034829	4.824821936	4.016343462	5.415556503	5.860834408	7.187429085	5.44320205	5.864556719	4.666013314	5.980199429	4.359353385	4.391404615	4.549462599	4.048377642	2.827932644	4.674723693	4.936314183	5.152168852	3.135625134	5.983871532	4.845440481	3.079636982	4.63789095	5.071315565	5.512810646	4.014720824	4.280044263	5.023015226	4.540072974	3.801294761	5.667507513	5.024072918	3.770925628	3.512933607	6.480115218	5.72149341
TG 52:3; [M+NH4]+@9.86	3.925991203	2.696038563	3.543386559	2.714811791	4.576522993	3.236948998	5.870197396	3.291528129	3.252417848	1.891171961	4.186520115	3.133814815	2.923694612	4.705346893	3.054094139	0.941298095	3.700676087	6.195631888	3.205605199	6.133061869	4.85605716	2.7173048	5.168262177	4.132437449	3.525041729	4.153467196	3.65136198	5.426756882	5.071177424	4.979004458	2.04637414	4.880916141	5.369319763	3.873771852	3.200902446	4.353632301	5.444012833	4.151242807	4.223457968	4.232451846	4.312880494	2.978363677	4.780090334	4.333004511	4.394146749	3.550942686	5.010636548	5.375226837	2.673649071	2.219491971	3.432804361	2.531167645	5.265084914	1.929324282	2.665721232	4.280873446	4.58536975	3.339512852	4.443225448	2.823515399	4.70220735	4.350248308	3.609600817	3.959250408	4.598720471	6.853196026	4.892129969	5.431853231	4.289900102	4.009262918	4.212264109	3.780361557	3.214337302	3.613659596	2.350285318	4.091505953	3.811216797	4.358090529	3.052410317	5.653297418	4.98429571	1.988225078	3.466234813	3.597627564	5.112916646	4.19639248	3.987535124	4.780795253	3.518113467	2.523791526	5.096293768	4.728424194	3.327872771	2.664395845	6.137431783	5.189064254
TG 52:4; [M+NH4]+@9.67	2.101888498	1.620784757	2.436608336	1.354564062	3.813507383	2.145567535	4.814429885	2.38108068	2.42677789	0.911377765	2.320128045	1.409515408	2.213387269	3.754087116	1.949292009	-0.513809689	2.582140047	4.714359029	2.258025509	4.466422235	3.510729074	1.63364864	3.934949525	3.060994728	2.346930903	3.100954909	2.957245962	4.0133414	3.458065518	3.488930284	0.075234342	3.336441621	4.029295342	2.333693839	2.126138703	3.45107079	4.137743568	3.49176501	3.23782671	3.194169548	3.058129686	1.07891841	2.857429934	3.277465033	3.375979005	2.384400902	4.122924796	4.268750997	0.73915324	1.053195074	2.385749983	1.418185053	3.425335176	0.311364265	1.551816952	2.122159284	3.668325367	1.716837058	3.279971719	1.393378205	2.945498811	3.241188383	2.650577154	2.320599285	2.536545179	5.248186651	3.733578979	3.895716948	3.06650912	1.677354322	2.987393212	2.644806987	1.097850379	2.502437867	1.668846668	2.602446653	2.349204508	2.814756325	2.212963291	4.091732231	4.440308077	0.499714501	2.518378869	1.864863444	3.453767055	3.294947829	2.716526331	3.642087081	1.723242153	1.032670837	3.896881379	3.572899673	2.273878364	1.532155942	4.743236841	4.062791663
TG 52:5; [M+NH4]+@9.435	0.410476032	-0.160359934	0.366189814	-1.176477913	1.368487121	-0.399676412	2.499685404	0.149799647	0.064913023	-1.154478644	1.322781023	-0.005095814	-0.040470331	1.446941925	-1.21913806	-2.213420996	0.070329409	1.831845061	-0.193196077	1.374851561	1.323508835	-0.86584047	1.060541786	0.951388536	0.069311389	0.562603797	0.8440258	1.366434635	0.800370086	1.046244338	-1.607183531	0.37722578	1.469090745	0.339409652	-0.394692643	1.145615917	1.46021998	1.072165018	0.664231047	0.615910643	0.437293919	-1.113432176	1.167687128	0.849357227	0.919648655	-0.054310436	1.603641114	1.877660792	-0.975811985	-0.960984161	0.360014075	-1.21841724	0.969542618	-1.629244075	-1.002884987	-0.023367725	1.65512612	-0.594735885	1.138684056	-0.772997728	1.028826712	0.796686867	0.418380183	0.002658536	1.021846409	2.327398673	1.300847604	0.365983386	0.265658369	-0.11625143	0.016751153	0.446294193	-1.386244618	0.194221127	-1.303485927	-0.047606956	-0.255255198	0.262675492	-1.280438577	1.130451903	2.250148534	-2.111610587	0.545362384	-0.84405246	0.736375277	1.261413888	0.464337717	1.307075629	-0.513698936	-1.677984398	1.367831749	1.141829719	0.039256709	-0.321214931	1.840749682	1.503859808
TG 52:6; [M+NH4]+@9.21	-1.985724873	-2.520988915	-2.774655744	-3.084995142	-2.245792003	-2.660770511	-0.392598355	-1.912312877	-2.521296986	-3.716334508	-0.964031253	-2.395486139	-2.4034017	-5.610497196	-2.950862321	-2.989294824	-4.714011645	-2.027938478	-3.513224642	-1.48785291	-3.836883726	-4.714105325	-1.988268088	-1.898737553	-2.662809992	-3.134915125	-1.069455082	-1.606988723	-2.234421843	-2.187500904	-3.567758214	-2.805793492	-2.035271985	-5.340678501	-2.399295371	-1.791212121	-1.007864253	-1.399490247	-1.414501208	-2.160163736	-1.817187766	-3.082532465	-1.897302943	-1.876370136	-1.996878642	-2.967223559	-1.57658216	-1.062882046	-2.2825296	-3.731637226	-1.368576571	-2.799498991	-2.266696301	-2.997585868	-1.775483702	-2.375254166	-0.623918137	-3.251087333	-1.73164967	-2.309965347	-2.003686745	-4.839857055	-3.402215379	-2.085636639	-4.578274026	-2.469418885	-4.321034457	-2.312689115	-1.255790525	-5.316755904	-3.080445719	-2.265905996	-6.454268872	-2.961380234	-2.224774924	-2.035241192	-2.501005087	-2.100901474	-3.917218993	-3.654400284	-0.170668047	-5.586775034	-1.493651846	-2.62710965	-3.117061951	-1.880592019	-3.478336567	-2.089669785	-2.181502986	-3.845344394	-1.300444723	-1.118231127	-3.077919425	-2.743638688	-1.255704781	-1.714885268
TG 53:0; [M+NH4]+@10.685	1.780739249	1.797350274	2.134327878	2.110989754	1.955895918	2.036231493	1.477643337	2.143868988	2.13428037	2.198283605	2.364176629	1.394443869	1.267295545	1.967586103	2.384514207	2.220180552	2.520198334	1.728505174	2.706122796	2.027033015	1.608312367	1.620493931	1.640847485	1.490975146	2.020844853	1.738825095	1.840199462	1.80656652	2.020949877	1.273560654	1.626724219	1.440875951	2.227973767	2.432174644	1.346953711	1.699418466	1.531889527	1.638829591	1.431982394	1.620780553	1.513527978	1.029977353	1.233810443	1.253068859	0.564815521	1.151315114	1.568739905	1.155579287	1.309449038	0.898087036	0.887046036	1.07476318	-0.381783734	1.775248271	1.968289728	0.336918284	2.044369215	1.484985575	1.796183688	0.777038239	0.96956067	1.456867852	1.674561632	1.662413367	1.206347936	1.100024635	1.46321665	1.392710229	1.744378083	1.900504663	1.479472171	1.567898394	1.078351571	1.097513324	1.250842807	1.55089588	1.172070492	1.225259202	1.723240853	1.032459589	1.766667271	1.873769431	1.008075838	1.223940804	1.465519693	1.444939752	1.588575471	1.600848436	1.367619546	1.620830138	0.902403249	1.287713478	1.500539492	0.838320405	0.510233966	1.440021244
TG 53:1; [M+NH4]+@10.505	-0.393342133	-1.960262682	-2.035346534	-2.837500242	-2.025104829	-2.540499818	-0.685103456	-2.994180747	-2.166242162	-2.735754996	-5.953235964	-0.754325998	-3.125626754	-2.694178453	-3.134935004	-5.940398661	-2.148461256	-0.981702578	-3.478254318	0.812899402	-0.89274925	-2.097240496	-8.156859631	-4.601847478	-3.215471122	-2.91829462	-2.435067425	-5.191664498	-2.872666483	-2.039811028	-0.73568534	-3.032967671	-1.951729702	-2.455719163	-4.129493632	-3.392197047	-1.1845333	-1.718963302	-2.397863004	-6.486965173	-5.132116506	-2.368160219	-2.613325975	-2.354035575	-2.381047667	-1.617655025	-7.477460711	-7.76601905	-0.623389282	-0.740177816	-0.403803432	-1.921573086	-0.122856741	-1.615292745	-0.267973741	-1.147195796	-0.903365701	-0.4952728	-0.658562378	-0.033999581	-0.280555075	-1.165615733	-1.488449939	0.367779618	1.019364802	-1.076759435	0.601045865	-1.856153167	-1.021650168	2.825627703	-0.555467336	-6.818999428	-3.757014961	-1.312130964	-9.610411334	-2.8261814	-6.700796869	-5.915279151	-3.224306862	-1.04918621	-1.98534365	0.44820064	-0.731032355	-4.542224376	-2.177246101	-4.601693321	-2.818297828	-3.964096852	-7.439656376	-0.33653031	-5.807276579	-1.806746608	-2.733744739	-4.331359845	-14.33962535	-2.373696589
TG 53:2; [M+NH4]+@10.25	0.460791994	-1.829933995	-0.349758902	-1.67684544	-0.043180607	-1.494313849	1.341935139	-1.062689378	-0.734309163	-1.704464374	-0.854441632	-0.165127536	-1.554532812	-0.244409879	-1.55661951	-3.250041549	-0.753591724	1.005126558	-1.081772437	1.893948889	-0.141152989	-1.72096926	0.051929885	-3.706912528	-1.781891064	-0.970574823	-1.376680956	2.088393499	1.039638213	0.348674731	-0.320124978	-0.267373636	1.258406286	-1.222176953	-1.867631756	-1.122769989	0.360692262	-0.534005932	-1.550455333	-0.456228692	-0.765194687	-1.311458041	-0.099542957	-0.196640813	-0.677469937	-1.24383133	-0.343611333	-5.15695447	0.161218152	-0.298524477	0.911162179	-1.536230598	3.0068319	-1.57195167	-0.120523182	1.07960171	0.217276866	0.143499871	0.214169742	-0.614015845	1.311310899	0.059298823	-1.171383807	1.026631272	3.158664189	1.520502514	1.225720601	0.518246386	-0.704577541	3.396553511	-0.209657023	0.091940272	-1.072661322	-0.959023837	-2.089807629	1.125478233	-0.228946271	0.164276129	-2.033099405	0.411850421	-0.734970136	-0.625338042	0.978987059	1.630889704	0.180993993	-1.436382295	-0.434512446	0.750318921	-0.218059167	-1.085769382	0.689497285	-0.069863762	-0.979487857	-1.650920095	2.534963178	0.216946675
TG 53:3; [M+NH4]+@10.045	-1.400543782	-1.64993695	-1.325537291	-3.308744125	-1.137469317	-2.436915912	0.054418974	-1.549385467	-1.760358837	-2.402641442	-2.238307971	-1.585207543	-2.058417688	-1.369655698	-2.653888084	-3.869914904	-1.683145952	-0.323088706	-2.320741691	0.662757641	-1.684118282	-1.656468511	-0.020190759	-0.990128755	-2.045183738	-1.489621399	-1.047282769	0.664157691	-0.610471181	-1.31369917	-2.438248967	-1.174875217	0.019752827	-1.931956947	-1.802178929	-2.008149957	-0.360860189	-0.78825448	-1.363936221	-1.063195649	-1.081984011	-1.277359578	-1.491521392	-0.919420635	-1.315759898	-2.2734986	-0.493158351	-0.168297049	-2.229258996	-2.021809254	-1.024878979	-2.739157145	0.044296893	-2.385907551	-1.48884837	-1.460418833	-0.519508493	-2.45475399	-1.516851461	-2.016073176	-1.05418907	-0.99586069	-1.789608132	-0.541158509	0.501568078	-0.021461793	-0.659074732	-0.54406217	-1.161851954	0.508167339	-1.150842187	-1.303152584	-2.067562445	-1.670746719	-2.197568324	0.157110717	-1.447671741	-1.066922003	-2.7980485	-0.435155272	-0.095235983	-3.498742935	-0.669584505	-0.853357847	-0.304291502	-1.812832021	-1.163721571	-0.377803475	-1.930134646	-2.676592497	-0.102475687	-0.838245034	-2.546480641	-1.444851894	0.250351152	-0.262058633
TG 53:4; [M+NH4]+@9.83	-1.01060903	-4.030420751	-2.33732262	-3.556768573	-1.208360646	-2.971510491	0.025297103	-1.9809292	-1.946653932	-3.862334371	-1.866194781	-1.985327522	-2.873099688	-0.878361459	-3.443172999	-3.881473328	-2.33899312	-0.591656778	-2.415308132	0.236590245	-1.822003021	-3.321188527	-0.607839388	-1.509969529	-2.623882566	-2.219403465	-1.347241652	0.616388847	-1.469010613	-1.231903756	-3.920996623	-1.364229205	-0.726582818	-2.709721369	-3.260013154	-1.6203784	-0.691584896	-1.777274108	-2.406987627	-1.004442203	-1.512321311	-2.286882348	-1.353332846	-1.0772364	-1.209763837	-2.669592463	-0.620832089	-0.946933171	-2.553194609	-3.841185314	-1.162996908	-4.409257037	0.019416483	-4.192528187	-2.188034289	-1.740784309	-1.230141484	-2.81382895	-1.84027548	-2.821190862	-0.758534945	-0.963738141	-2.5972005	-1.489502049	0.553680717	0.329458901	-1.423945966	-0.646482694	-2.298591415	-0.551321403	-1.468497635	-2.448040312	-2.995983045	-2.62741415	-3.147306234	-0.778046411	-1.988626187	-1.701959248	-2.035562049	-0.687065776	-0.721453338	-3.954990262	-1.033185324	-1.86493778	-1.773609515	-2.17568464	-1.420608685	-1.358899682	-2.617366062	-3.714100747	-0.220852961	-1.193369207	-1.80570488	-2.194636665	0.085952332	-0.471479546
TG 53:5; [M+NH4]+@9.60	-3.061443549	-3.871237898	-3.208320213	-4.713403293	-1.403885099	-4.346477469	-1.547270407	-3.392274391	-3.618777927	-4.589866981	-2.012217956	-4.502794141	-4.305299432	-3.654852855	-4.876286179	-5.602063398	-4.390605689	-1.271916706	-4.002289357	-2.685717504	-3.201314984	-3.707546253	-2.576975413	-2.768788781	-4.695228505	-3.282188878	-2.320024219	-1.152407317	-3.063167752	-3.210261366	-3.802836765	-4.421965527	-2.646440551	-5.546236216	-3.735976048	-3.85310359	-2.255316007	-2.165018895	-3.42960914	-2.130148002	-2.690216264	-4.710241794	-3.098508055	-2.724993758	-3.070170639	-3.626667305	-2.323477287	-3.137795761	-3.518708245	-4.232206332	-3.247323252	-4.426271782	-1.864090282	-3.794356644	-4.466680747	-9.326363461	-2.205695331	-2.826937632	-2.45353158	-3.794198794	-1.894001056	-3.389013307	-3.725065773	-2.0038592	-0.820410817	-2.149539658	-2.348689545	-2.62582204	-2.402465639	-2.842044003	-3.398732145	-3.303379617	-7.664876399	-3.585505783	-4.203159721	-1.69094593	-2.734749304	-3.076516859	-4.241785962	-2.847459565	-2.680223485	-3.507643503	-2.105832043	-3.881014825	-6.535968297	-3.611504589	-2.614450285	-2.837523143	-3.204701386	-6.071784141	-3.258174205	-2.562706983	-5.25565876	-5.153833579	-1.418628175	-2.355963622
TG 54:0; [M+NH4]+@10.81	2.096229349	-0.983838776	2.028295456	-0.383509747	-0.73270851	-1.260787221	1.452647201	2.135196423	-1.173599722	-1.709193308	1.280529803	0.016022425	-1.916740043	3.198032417	-1.303997877	-4.570108524	2.75072772	1.005962503	3.287410572	1.357797957	1.948339665	2.184690924	-0.780541856	-5.500750876	2.406506767	-1.80312517	0.937931857	-0.491512692	1.572760879	-1.857654314	1.298163756	1.952437754	-1.078476904	3.793529561	-1.537483155	0.838505544	1.294706956	-2.118603553	-2.126943568	0.050446055	-2.573503596	-2.485418057	0.468122733	-1.478745111	-1.940382618	0.854711151	1.034111593	-0.974056485	1.180127047	0.820135442	1.518507309	0.538470014	2.074389196	-0.254126045	-0.594520458	0.459919642	-0.320353903	1.104660993	1.632389014	0.165877805	2.556624331	1.699426875	-1.056759787	1.496406392	2.297038933	0.787770117	2.306264082	1.961110601	2.217714911	2.734487866	-0.694459754	0.801296936	-2.729540284	0.094564313	-1.947821818	-1.304872399	-0.123489201	0.485835322	-0.05263609	1.780936229	-1.180093125	1.639143319	0.320099897	1.54517528	2.027503952	-2.156447396	0.036607254	1.007383516	0.663690642	0.839723412	0.319790093	-1.320995443	-1.698832703	0.02793007	1.856391226	1.100148151
TG 54:1; [M+NH4]+@10.6	3.492641418	1.637593904	1.928806769	2.138164402	1.814502007	1.58201553	2.776913039	1.475807231	1.153643546	1.150011314	0.501361263	3.127440741	1.006521068	1.57930845	1.195197436	-1.434232303	-0.136835793	2.961872333	1.363729357	3.799925643	2.149514359	1.810017604	2.381594861	0.628418325	0.57228302	1.570233832	0.307758316	3.290224327	4.059595198	1.883574212	3.387162308	1.892024725	1.900429824	2.288566756	1.486263396	0.893695805	2.292943699	1.497662219	1.000378127	1.970320384	-0.123098816	-0.295760307	1.981714812	1.434234234	1.723824401	1.595600251	0.786947067	2.222738811	3.132708028	2.892556802	2.779924875	3.0762675	3.089577179	2.355257669	2.992037594	3.108138783	2.862424928	3.704301213	3.958488752	3.313796971	4.066771565	2.272077817	1.722736841	3.9939533	3.284792633	3.516062965	3.49857267	2.493440152	1.598079306	4.946269464	2.247585686	2.596894038	0.831857403	2.37251843	1.107631754	2.304005345	2.40547789	2.989951032	0.970656585	2.556644047	1.797537368	3.471841312	3.024363469	3.623402803	2.016325697	0.24624254	2.885002486	3.604202281	2.290901891	3.472236288	3.051462491	1.875841814	1.331982954	-0.048191123	3.957842529	3.876756812
TG 54:2; [M+NH4]+@10.365	3.754037969	1.980214266	2.814522072	1.797872477	2.40648194	1.609099291	4.187897022	2.285524419	1.910736489	1.796299521	2.018316681	3.366493272	1.693684713	2.775289158	2.006312036	-0.667104948	1.585820283	4.836442103	2.186135781	4.842550291	2.984315383	2.360170432	3.394944558	2.012079027	1.197690143	2.266096826	1.493353319	4.477707815	3.691383023	2.863889463	2.765502868	3.384719622	3.047809505	2.3640412	1.48366124	1.722841694	3.689350424	2.540168495	1.982068686	2.729361364	1.747287481	1.249448696	2.246086606	2.375342601	2.912688393	2.122071789	2.301063394	3.042715447	3.192949177	3.001990313	3.766886613	2.242537887	6.092871358	1.522488344	2.781688975	4.537340638	3.370519365	4.314851214	3.995462114	3.067963796	4.992776217	3.032144409	2.455011995	4.687553026	5.33463524	5.737489125	4.141723225	4.091683036	2.377989775	5.941206342	2.676088071	3.053637602	0.950337341	2.420781247	1.544329354	3.099619829	2.519840919	3.489410744	1.074229244	4.106483697	2.394116409	2.657988902	3.462483191	4.500779815	3.656446149	0.864342345	2.884497949	4.148505659	1.969212704	1.955109788	3.537396374	2.623856566	2.002936428	1.569452689	5.979919667	4.151262537
TG 54:3; [M+NH4]+@10.15	3.739843818	2.247594197	3.163977006	2.081989378	3.359152916	2.267727015	5.321823405	2.960254492	2.629886031	2.113396423	3.118818014	3.113004964	2.447834828	3.728627691	2.795483804	0.36572176	2.862631253	6.371506433	2.714342372	6.230893151	3.94055518	2.53786703	4.516750743	3.44077465	2.287757596	3.279600111	2.707963593	5.250074229	4.12094927	4.005346694	2.320786032	5.062381327	4.565029909	3.002938267	2.086966404	3.033585408	5.141275614	3.633291828	3.23066288	3.640943748	3.493309689	1.999505825	3.30014888	3.262733993	3.757215184	2.698886419	3.430612824	3.691757735	2.793495311	2.313160791	3.842562772	1.763685331	6.13926299	1.517232228	2.685377426	4.50652222	3.817288607	3.79358893	4.144290887	2.761875864	4.955009298	3.672758537	2.928124362	4.4028944	5.344535602	7.06695426	4.497980107	5.597591506	3.366887937	4.866238856	3.643774256	3.480929273	2.100265459	2.698839731	2.01709679	3.728234239	2.857651223	3.934207792	2.055154969	5.701379279	3.551203756	2.068324208	3.576971823	3.903632197	5.280623333	2.537767969	3.500659437	4.162131635	2.571780567	1.823088044	4.322142122	3.632004145	2.719596151	2.371135549	6.248407004	4.240831173
TG 54:4; [M+NH4]+@9.94	3.392487254	1.651697934	2.601462344	1.686091412	3.398780684	1.953901882	5.193337722	2.496976108	2.56456352	1.660337291	3.282925608	2.150731805	2.043881255	3.453335768	2.310110418	-0.93738429	2.584472501	5.861473804	2.506520949	5.629544702	3.690641946	1.970213523	4.418122034	3.422164477	2.04076575	3.017280212	2.890068407	4.794712179	3.414421488	3.620105732	1.751525853	4.497846525	4.252844571	2.974726989	2.131239788	2.971227544	4.680315991	3.712107538	3.249481579	3.576629914	3.230372145	1.358754274	2.775998105	3.017241412	3.623789938	2.285932033	3.851959278	3.924778107	1.419887623	1.251348286	3.296906426	1.346898485	4.945216703	0.633167474	2.154677441	3.820572801	3.815295525	2.875279951	3.397277047	1.738427785	4.564259307	3.484147935	2.670029956	3.381607277	4.625296442	6.52833508	4.285724653	5.005676105	3.198781818	3.131179445	3.443151228	3.282244805	1.136396278	2.670983704	1.997278112	3.466478462	2.065217725	3.292137687	2.23969207	5.04268094	3.796535287	0.600740468	3.291972924	2.756414857	4.603278808	2.75835438	3.251789224	3.779040473	1.907587052	0.977452008	4.191127383	3.420961902	2.554614446	2.018694619	5.611927406	3.853798147
TG 54:5; [M+NH4]+@9.78	2.814341878	0.233195229	1.901150341	-0.14774615	2.61782654	1.298398444	4.444886232	2.638970576	2.185266127	0.735733249	3.183849307	1.946648901	1.098269052	2.473512002	0.779028599	-0.045957569	1.167625695	4.501336265	0.880240646	4.121309477	2.337728399	0.518581788	3.442635365	1.936770989	0.614544609	1.644820826	2.577407763	3.004363696	1.704203005	2.095279503	1.116851825	2.899804367	3.334262977	2.135376674	1.349980404	1.957714662	3.422325179	2.237975032	2.484084403	1.918616454	1.443542953	0.851936219	1.728919792	1.7763313	2.046385635	1.108757998	3.317533293	3.295723247	1.717168629	0.20451726	1.656952681	0.237791837	2.859666845	0.03357378	1.641143026	2.914406257	2.618715116	2.131485291	3.022009623	1.781912742	2.705965676	2.528100466	2.237831288	1.710667293	3.707163932	5.044222454	3.535298208	3.64444761	1.894975455	2.405652667	2.527733915	2.875428306	-0.194376248	2.271966509	0.623502831	1.990343458	0.594899707	2.770767698	1.624121156	3.517675642	3.513110381	0.324436101	2.988792579	0.665792454	3.040128738	2.392812927	1.555188439	3.151836962	0.163963221	-0.070542036	2.674947761	3.004762889	1.806589238	0.689290848	4.567016403	3.195992327
TG 54:6; [M+NH4]+@9.54	1.676549206	-1.407930445	0.903444412	-1.198619994	1.841739927	-0.487226958	3.228874506	1.590415212	0.147125713	-0.367635209	1.393844631	1.334962477	0.141954394	1.466193388	0.377832745	-2.000924733	-0.502913055	1.369822244	-0.605038596	1.070672057	1.52636191	-0.903691372	1.624928137	1.119215912	0.363759969	0.966453521	0.439923079	1.784784832	0.571604488	1.491934868	-0.915980389	0.466473431	1.031884822	0.816399605	-0.320025199	0.64313109	0.457401636	1.894983333	1.321810051	0.444303607	0.688595639	-0.522186126	0.741796207	1.640154848	1.206793364	0.360698859	1.130410744	2.257398149	0.620536507	-1.076442403	1.133426312	-1.917907322	1.758448286	-1.043225562	0.332379696	1.21240246	1.65472394	-0.027470382	1.700048147	-0.146154144	2.282757894	1.960778631	0.779888766	0.962618093	2.643593973	2.855220518	1.259594457	1.460917002	1.096012697	0.542524341	0.585608254	1.347208949	-1.607387188	0.530609857	0.258305052	0.906805913	-0.084573725	1.280588503	-0.407464721	0.442360868	2.402496893	-0.641293209	1.009481546	-1.093313949	-0.346967756	0.405291265	-0.358363435	0.663204464	-0.067758303	-1.346912407	2.090346573	1.509154541	0.61614559	-0.863549239	1.594067377	1.35460298
TG 54:7; [M+NH4]+@9.285	-0.871824687	-3.071988521	-1.780177471	-2.642334037	-0.546022371	-2.827229248	0.740602962	-1.630630274	-2.013150592	-2.189000145	-0.085775408	-1.515457994	-1.355997446	-1.674904719	-1.246840225	-3.697538234	-6.579654912	-1.827406572	-1.874971578	-2.154509754	-0.248533809	-4.215094245	-1.529440082	-1.653713077	-1.971187656	-1.455901915	-1.081817881	-0.65169758	-1.204999814	-1.019905606	-2.889446156	-2.468713169	-1.289722846	-1.984549983	-2.812669474	-0.615445048	-1.027496605	-1.70186	-1.451471121	-1.272767515	-1.516401928	-1.9097433	-1.888444257	-1.127337476	-0.613313152	-1.851466442	-0.432663729	0.153335893	-2.281377856	-4.006029552	-0.680813472	-3.116930116	-0.008502387	-3.165472651	-1.576727959	-1.374380937	-0.278058806	-3.139837509	-0.907471698	-1.798749492	-0.523980528	-4.038421181	-1.836961249	-1.793347378	-6.079631651	-2.800491547	-2.238346059	-2.926233702	-0.487281295	-3.619152606	-2.602401203	-1.306462162	-3.385445934	-1.396849262	-1.536777577	-1.710396538	-3.538777044	-1.729204284	-2.376065125	-3.180930987	0.64541268	-3.712311309	-1.36303907	-2.958574068	-2.297255305	-0.705982909	-1.603882775	-0.69071462	-2.682793054	-2.313427977	-0.309880135	-0.282945676	-2.411029189	-1.588177137	-0.136834654	-0.113413015
TG 54:8; [M+NH4]+@9.05	-3.062519583	-4.214296125	-3.887361791	-4.224323106	-2.921754213	-4.008851624	-1.637897004	-4.176258812	-2.80824873	-4.806093223	-1.837780093	-3.277829458	-3.556503339	-3.535046889	-3.583055422	-3.87499273	-3.75082944	-3.865080454	-6.108950203	-4.76549778	-7.290764231	-4.277661789	-3.15935189	-3.204214289	-9.134883059	-3.261330227	-1.857040462	-2.127486506	-3.456705112	-3.885570826	-4.926508849	-4.021413444	-2.656278223	-3.725310725	-3.930569795	-3.194760301	-3.197845662	-3.002186549	-2.895369648	-4.270439041	-3.63503708	-3.736447293	-3.742046829	-3.945800584	-3.33010864	-3.57944886	-3.562608197	-2.48304478	-3.798226792	-5.97861995	-3.116753678	-4.669902239	-2.692941606	-4.578245643	-4.220330703	-4.359497726	-2.00913113	-3.594493161	-2.314503284	-4.341655589	-3.057691143	-4.227871399	-3.884378308	-3.358644328	-4.934009499	-5.317293152	-8.113019651	-3.638867306	-3.326033912	-5.761918457	-4.427340421	-3.162217109	-5.014366836	-3.420360897	-3.244908761	-4.795848204	-2.958664087	-3.572675666	-5.349710113	-5.313202431	-2.449905934	-6.159163246	-3.72500244	-3.89743495	-5.341776923	-3.066192817	-4.087882552	-3.819264055	-4.390155744	-4.491434711	-3.426534859	-2.657010528	-4.774396185	-4.048581756	-3.780806536	-3.677308828
TG 55:0; [M+NH4]+@10.95	-1.956751193	-4.822291801	-5.07534134	-4.851760894	-4.264831459	-4.618370592	-2.670462733	-6.674415888	-4.926276602	-5.809920818	-5.567200119	-2.651557314	-5.534374655	-1.555741412	-4.942824849	-4.467732245	-1.429380305	-2.226625224	-2.361447171	-3.005798837	-2.457302755	-2.695207803	-4.359222242	-6.071651065	-3.368273152	-6.654171439	-6.037452626	-2.987811754	-2.60810022	-6.065231371	-2.252802677	-1.565092933	-4.955383845	-1.066993476	-4.947928395	-4.70873005	-2.25719916	-5.709511943	-5.491575543	-5.395237004	-6.580982976	-6.152798966	-5.0021129	-5.745184609	-5.264400902	-6.36442378	-6.314551964	-5.649900444	-2.02688749	-2.385122267	-0.732119375	-4.519389716	-1.197436547	-4.096035819	-2.84695551	-2.232946066	-3.022207939	-3.133047159	-3.637382101	-9.173450785	-2.625029997	-2.417445614	-5.750401751	-13.92077364	0.281928845	-2.704273927	-1.74496386	-1.756355955	-2.044112437	0.435722881	-4.575931259	-3.159123544	-5.086938464	-4.219446842	-6.918302187	-2.900516506	-5.040494158	-4.264499585	-6.50492713	-2.082434484	-5.191459498	-1.017609583	-3.00489613	-4.180965376	-2.613726507	-6.834477176	-4.466312587	-2.455133648	-4.157913781	-3.654211725	-2.560783141	-5.355130718	-4.978287596	-6.351142413	-5.11037718	-5.304424339
TG 55:1; [M+NH4]+@10.77	-0.622970858	-3.928936789	-2.525995079	-3.9418855	-3.201188375	-3.904403195	-3.064182817	-5.2495186	-2.325039868	-4.171875844	-4.454350197	-1.579079212	-3.74183528	-0.655029175	-4.250893389	-5.212267515	-1.615650141	-0.358665822	-1.495415794	0.94757214	-0.474249632	-1.302518713	-6.682282229	-7.551297856	-2.38934758	-7.081892907	-5.27393602	-1.769199502	-2.353714172	-3.746306354	-0.393333879	-1.056310363	-2.803274654	-0.226277283	-7.124074986	-6.74054993	-0.893190147	-4.269371414	-6.125061512	-6.457762423	-4.727983166	-6.319303617	-4.532302566	-3.208159148	-3.955093892	-5.536935018	-4.316543575	-6.185802737	-0.351774958	-0.629674273	0.610343148	-2.441396254	1.375477652	-2.549854439	-1.51026982	-1.854781218	-1.334774571	-1.908078418	-1.506997393	-2.260013761	-0.284028534	-0.911729749	-2.333628899	-0.70882074	1.443542953	-0.126747019	0.932681519	-0.336814696	-0.920350707	2.420555974	-4.718862454	-7.321749214	-5.679902164	-3.635231792	-6.249813797	-2.993131355	-6.074093717	-7.394487366	-4.558903386	-0.915495047	-3.233416796	-0.232854046	-7.356048004	-5.097558792	-0.783097455	-5.919734579	-7.407525708	-6.230702319	-7.27576388	-5.735658674	-8.436595319	-3.177653831	-4.029227851	-6.963239093	-4.381712628	-3.915727884
TG 55:2; [M+NH4]+@10.47	0.153540745	-0.78339021	-0.205755265	-3.271702833	-0.089595783	-3.869682004	-1.194679344	-0.031248151	-3.50829999	-3.590917621	-3.208164692	-1.230749558	-0.3956145	0.794208657	-3.591770449	-6.758280792	0.388894377	1.794198748	0.380934054	1.272111784	1.256975781	-0.274151939	0.863671764	-0.202262965	-0.280301456	0.650510096	-0.881571479	1.523610609	1.295203492	1.428134204	-0.673823239	0.716643157	-3.386780913	0.469190862	-0.279455893	0.461675623	1.039365222	0.121299467	0.04686703	-0.336965388	0.377032509	0.008154739	1.444217919	-2.4463613	-2.513524427	-0.311288456	0.796732002	0.911825273	-0.272502972	-0.852650407	0.902619037	-3.140607578	2.379104639	-2.338036827	-1.042437649	-0.466564207	-1.316043444	-0.792660084	-1.219470672	-1.072212242	0.533217236	0.163524182	-2.210178255	0.11428467	2.486569621	1.595213144	0.90305023	0.528582084	0.311618392	3.21430402	-0.394048494	0.024081475	-0.021635581	-0.508036068	-1.214546371	0.594511354	0.787932264	-0.156034037	-1.308880046	1.005403513	-13.92077364	-0.65132219	0.32131599	0.909442459	0.973456213	-0.544732932	-0.496706356	0.398992266	0.274008404	0.05586028	0.917841202	-2.003960214	-3.643447016	-0.704940218	1.190352746	1.241756106
TG 55:3; [M+NH4]+@10.31	-0.565731454	-3.195528086	-2.723327622	-4.018479356	-2.441902546	-3.894387642	-0.931396553	-2.394682424	-5.172692089	-2.99708388	-4.341080769	-1.618408213	-2.013167192	-0.297308834	-2.985345693	-5.696063933	-0.594956584	1.093566043	-0.65803596	0.892884892	0.01286032	-1.412157828	-1.897922318	-6.635906733	-1.74156436	-2.874147685	-3.511403101	-3.668423299	-0.992036042	-4.159194041	-2.049112311	-0.581504417	-1.55901813	0.172386178	-3.926127428	-3.206195394	0.546483172	-5.001331867	-5.601572573	-5.847278411	-5.68891158	-2.852279492	-2.479129653	-2.413834643	-1.528688475	-4.652089058	-4.145244994	-3.487079026	-1.299226772	-2.116957862	0.51800628	-3.701406743	2.111961139	-3.196216025	-1.356656184	-0.382696858	-0.870034652	-1.218028048	-2.086576119	-2.328166623	0.060940168	-1.198009637	-2.408696244	-0.179031226	2.062319209	0.464429796	0.207164663	0.381080344	-0.224927261	2.041437293	-2.305829943	-1.440296397	-3.225561825	-2.689293018	-3.345495457	-3.66846619	-4.268413131	-4.296832651	-3.34934149	0.35351087	-2.844714711	-2.135500754	-0.918031313	-4.511100383	0.478858731	-3.156819543	-1.52698879	-0.700090133	-3.238597108	-2.945175128	-4.204438479	-2.215817685	-7.084510972	-5.477003904	-2.182522641	-3.409018789
TG 55:6; [M+NH4]+@9.77	-2.424236086	-5.3836959	-3.581448254	-4.94674901	-2.344234332	-4.740333178	-1.857516188	-3.407909335	-3.887798395	-4.956364866	-2.967988435	-3.92327248	-14.24915584	-2.736669133	-2.211620036	-4.18722741	-3.924052621	-2.319304043	-5.373061693	-2.685042425	-3.602714551	-4.42606134	2.69537529	1.249614419	-6.079434214	1.611647937	1.145158675	3.651033564	2.50039108	1.966237368	-3.916445738	-5.699609584	-3.840558591	-4.5566656	0.752055002	1.119466347	-4.887629207	1.640395206	0.79874071	2.049891378	1.533241606	0.292931073	1.272663479	-2.507922798	-2.761910409	1.42634642	1.622584898	2.434211089	-4.296553976	-5.179372352	-1.956784751	-5.17898987	-0.980993432	-3.696079073	-4.411462092	-2.677664341	-2.114685949	-3.383942297	-3.620730827	-3.906631914	-1.767104675	-3.47580804	-3.779095651	-4.250252341	-0.374855234	-1.96718782	-1.619994188	-4.094203189	-3.950120151	-3.002930098	2.234777513	2.032450987	1.013816397	1.802852992	0.929880572	2.511915746	1.721655394	2.872842065	-5.235495711	-3.708646712	-13.92077364	-4.610086253	2.288706854	3.086349964	-3.773260724	0.297115332	2.548722774	3.39685267	1.424808397	1.076166058	2.991566124	-2.813343141	-4.288417626	0.52893007	4.103107031	3.065295674
TG 55:7; [M+NH4]+@9.57	-14.05856843	-5.73796944	-4.971645875	-5.635843749	-3.480781455	-6.773536534	-3.170988652	-5.03748091	-4.648613766	-5.157089609	-3.499566929	-4.879872867	-4.913142976	-4.010996982	-5.239542845	-4.660788337	-5.274943803	-2.274888016	-5.75907449	-4.08767353	-5.548893839	-5.585658024	3.901759158	2.640133602	-6.202622618	2.528857262	2.444011689	4.091927517	3.085849897	2.991410263	-5.81203899	-4.705246897	-1.229258527	-4.442336475	1.527538569	2.424416021	-5.018458142	2.955072967	2.456439897	2.944280493	2.812976145	1.207082879	2.235369433	-4.063942846	-4.096029324	1.942087517	2.655797889	3.296407084	-5.85132473	-6.373894033	-5.145383008	-5.19974392	-2.12758479	-8.047822362	-4.310045941	-4.569639527	-3.945681269	-5.589760336	-2.158861811	-5.330973936	-7.573537511	-3.449033607	-4.675851382	-6.290952305	-1.57646319	-2.865986434	-4.726564363	-5.517565536	-4.843452388	-3.006162966	3.228722928	2.563561873	1.549776701	2.304459671	1.509008752	3.246023294	1.764340945	3.053553373	-7.237366095	-4.753138317	-3.542068792	-7.0542684	2.500732878	2.651322806	-4.185491771	2.039442308	2.927317973	3.556603513	1.579431172	0.872270372	3.474403233	-4.156321448	-5.763034889	1.513592665	4.249456902	3.405930616
TG 56:0; [M+NH4]+@11.035	-0.584734889	-2.322294526	-3.204438611	-1.940756475	-2.872138166	-1.96066653	-2.921503597	-3.680718234	-2.609786926	-3.660028964	-1.890310451	-1.781524785	-3.225400642	-1.901558897	-4.337564441	-4.556388224	-1.610025334	-2.38923421	-4.860498325	-0.328680095	-2.772678978	-3.165568285	-2.848443696	-5.223845703	-2.887629076	-3.441478696	-3.672307531	-1.617086593	-0.576630719	-2.456089242	-0.239472354	-4.048215651	-2.643712289	-1.890190365	-3.8809536	-4.688571385	-3.054156427	-3.457656428	-3.623944281	-2.169558211	-4.821293408	-3.898057177	-2.490917908	-2.777983723	-3.203424513	-3.033585361	-3.684331726	-2.764545341	-0.568869512	-1.577803835	-0.01037356	-1.275823067	0.187639064	-2.20654108	-1.882212675	-2.132454041	-0.64232233	-0.612818407	-0.536141986	-1.441811055	0.093860373	-1.765617978	-2.592920044	-1.347453933	0.826389218	-2.90564935	-0.350587931	-3.333674487	-2.981265696	0.644901938	-2.378712371	-2.089609009	-4.029682335	-2.181032304	-3.332545134	-2.15046128	-2.216438814	-2.507774497	-3.464326123	-0.914974935	-1.955792443	-1.293736617	-2.110599255	-1.657418349	-2.630031916	-3.858932707	-2.116637489	-0.488803868	-1.230313055	-1.442230816	-1.583450503	-3.088961033	-2.403838401	-5.7264812	0.366731332	-1.702572253
TG 56:1; [M+NH4]+@10.82	1.270596592	-0.42864687	-0.571952274	-0.147814357	-1.171025997	-0.852453729	-0.415746003	-1.573842745	-1.249283693	-1.800522574	-2.415402078	0.537730687	-1.380149214	-1.4680034	-1.51025571	-3.69452055	-4.013476062	-0.862643227	-1.04025786	0.502564993	-0.831650234	-0.752451189	-0.7845137	-2.170807059	-2.09432221	-1.96609778	-2.785372924	0.523766649	1.507216801	-1.760217047	1.676401238	-1.874303998	-0.693973692	-0.595485505	-1.187681047	-1.823315235	-1.122505356	-1.712486673	-2.011449714	-0.854905289	-3.561476828	-3.078259197	-1.526855044	-1.462265338	-0.989726615	-1.243783331	-1.896746445	-1.198696423	1.393442006	1.233898951	2.126566514	0.734829838	2.854123874	-0.002220942	0.03671656	0.297977668	0.176677095	1.628057197	1.689399963	0.553296199	2.54244431	-0.873719259	-0.839471884	1.302605799	2.208820834	-0.956853712	1.578855888	-0.861862204	-1.556468541	3.160901406	-0.741323925	-0.270141918	-1.872828346	-0.770917836	-2.158457034	-0.715316029	-0.52064143	-0.304943971	-1.977800299	-0.19182459	-0.718857916	1.358072139	0.585911837	1.223525081	-1.926831873	-3.806845401	-0.053823067	0.442939237	-0.603802938	0.167293105	0.374432002	-0.889938447	-1.604683272	-2.343374345	2.848370216	0.005965054
TG 56:2; [M+NH4]+@10.62	2.641207098	0.54373553	1.981046916	0.838351034	1.033702579	0.445997259	2.025071624	0.868768403	0.142203158	0.463143584	-0.186863421	2.353809755	-0.014874993	0.645049892	0.427721027	-3.344567091	-1.626638244	1.920059673	0.810089277	2.81686765	1.015047311	1.524952078	0.918577016	0.440209399	-1.010474658	0.643799133	-0.02018085	2.369830587	2.802671871	0.979636979	2.176769008	-0.022332705	0.915107266	1.07264817	0.743978771	0.257830953	1.394611979	0.62164964	0.371719103	1.405001444	0.057794876	-0.823579382	0.632547434	0.907379929	1.409285219	0.340902478	0.516261354	1.534045788	2.11362878	1.657563716	2.894379966	1.259661899	3.172824757	0.557062561	2.251284065	2.571116391	2.22627843	3.108662622	3.340127419	2.404893547	3.645919228	1.51627059	1.27713463	3.671069677	3.345280717	2.29964554	2.622473178	1.778653831	0.468545096	4.774326246	1.384469967	1.783150351	-0.09286512	1.361583769	0.439881043	1.425629278	1.483938655	2.174590271	-0.212391269	1.348099625	0.834499652	2.167110758	2.251029773	3.034583309	0.91079477	-0.919940057	2.131189617	3.608699488	0.908565217	1.22319826	2.350202715	0.260879531	0.536567752	-0.06669422	4.379968613	3.242118084
TG 56:3; [M+NH4]+@10.4	2.564384478	0.213150718	1.552583063	-0.326540961	1.035408547	-0.301607609	1.595469195	0.847974685	0.420583053	0.541556295	0.534980609	1.541663777	0.305153335	1.370031498	-0.020007652	-3.073605793	-0.698672657	2.416646178	0.769937262	2.756109531	0.753658694	0.499910584	0.543794481	0.79163977	-1.767817512	0.366683181	-0.58620763	2.473471502	1.671392908	0.559801707	1.045228707	0.609052367	1.507210063	0.388685912	0.165932745	0.073729485	1.394959637	0.779174877	0.081216064	1.144204533	-0.279934907	-0.884731969	0.549319087	0.570413545	1.647426961	-0.003240044	0.687562525	1.156590682	1.581433692	1.143411067	2.975158166	0.097324356	5.004720478	-0.280901546	1.379743383	2.895864408	2.048572794	2.655757202	2.644944373	1.532762951	3.770052788	1.546281334	1.016938675	3.365601039	4.250397019	2.669563698	2.795897623	2.005061424	0.19173359	4.500021821	0.015935637	1.659850723	-1.184402489	0.334435048	-0.035688379	1.18768324	0.489072319	2.111270938	-0.693911225	1.514000234	0.511671874	1.050032271	1.722797154	3.136193536	1.566794623	-0.721468115	1.575422683	3.058505517	-0.580737448	-0.037664287	1.729937261	0.97041827	0.654432822	-0.273448658	5.503768084	2.406577878
TG 56:4; [M+NH4]+@10.235	2.985727075	0.836338046	1.991454529	1.093351732	2.37438731	0.675146556	3.04124472	2.13367312	1.565586424	1.175898898	1.751592096	2.257086884	1.345527524	2.356965119	1.512359345	-0.956960052	1.215142066	1.988883805	1.435050008	2.648913905	2.342388268	1.45918911	1.517673608	1.89319898	0.176315226	1.673979894	1.808819112	3.172781631	1.912882901	1.755886589	0.907239508	0.454822969	2.008551138	0.596065987	0.990127959	1.513516375	1.977274425	2.267979436	1.614560544	2.16497706	1.183508813	0.131790129	1.266390502	1.978701289	2.367774362	1.680149437	1.841732727	2.233676069	1.399870703	0.637246769	3.060703156	0.633923165	3.022818953	0.605935111	2.108729931	2.627153001	2.882587609	2.592647585	2.726535194	2.216256915	3.754103646	2.483259309	1.767856163	3.418009928	3.777115989	1.86304792	3.201729247	1.876730477	1.976835919	3.438797183	1.232637388	2.417199637	-0.609739994	2.141278053	1.373855039	2.512709692	0.404637959	2.641004113	0.237307126	1.332523075	1.858015347	1.227313919	2.497810634	2.446779992	1.339698747	1.514442564	2.263930549	3.28401895	0.473882597	0.099389178	2.421396064	1.945249105	1.217495129	1.071546842	4.563946702	2.962345243
TG 56:5; [M+NH4]+@10.04	2.973507712	0.559368304	1.62223746	0.631091836	2.495216916	0.30542367	3.587495562	2.171842142	1.788552457	1.02986683	2.466904922	2.119943119	1.660765533	2.614455186	1.432320736	-0.355116647	1.170939955	1.102830298	1.585841409	2.236783157	1.356340211	0.780509409	1.230757867	2.32356758	0.347522584	1.665391517	0.846558567	2.532133801	1.589022834	1.912263842	0.860364772	-0.083948409	1.894552775	0.845630471	0.371775662	1.083193471	2.028928484	2.469130807	1.48279442	1.761986519	1.405701283	-0.569967941	0.664906066	2.196836295	1.471606092	1.506180438	2.182733841	2.282421783	1.564352752	-0.068192976	2.919528765	0.411832244	3.428814524	0.204208493	1.642197383	3.065511065	2.740024158	1.196676579	2.606842087	1.733283191	3.833256659	2.625284257	1.837086315	2.758230546	4.239370296	2.25884108	3.330180562	1.67169023	1.793804602	3.365717363	0.245986658	2.43609922	-0.626162791	1.682527012	-0.027639796	2.096743133	0.791978015	2.150806229	0.251974828	1.108055842	1.80022378	0.493492141	2.9333888	1.057835452	1.354595232	1.531040904	2.116606109	2.710284305	-0.145905555	-0.971923584	2.686230443	2.361644692	1.263447365	0.429995028	4.469159668	2.520011513
TG 56:6; [M+NH4]+@9.83	2.51604178	0.086965261	1.266806441	-0.236448801	2.418809249	0.316412835	3.512941716	1.842580196	1.417781392	-0.145204343	2.304476442	1.728450371	1.385374224	2.486435109	1.287882214	-1.110272496	1.05207696	2.347257334	0.604466953	1.532721783	1.633729317	0.37408316	0.876733914	2.044669138	0.362738783	1.596911094	1.81067877	3.032563075	1.148584411	1.692669804	0.464886069	-0.328859432	1.509850131	0.970270631	0.481188615	1.23056589	1.692832321	1.969928399	1.492206629	1.534890743	1.215567245	-0.568147144	1.30390091	1.873828323	2.207144129	0.4805193	2.00445308	2.253151805	0.584501498	-0.523719462	2.401489808	-0.084814049	3.599365567	-0.204710655	1.186680634	2.360693151	2.651101038	1.474304086	2.206977651	1.286017172	3.396280284	2.360129633	1.734471129	2.074703406	3.816404027	1.790086001	2.852110724	1.471452753	1.599046135	2.435404888	0.293039045	2.124347302	-0.916802778	1.438472092	0.813776939	1.942096917	0.573221017	1.814073789	0.221532506	0.804062319	1.836211509	-1.921211002	2.611771371	1.09485852	0.494066101	1.316797196	1.609031269	2.499910337	0.126217371	-2.168721442	2.321857598	2.101418499	1.177278525	0.83912965	2.713288729	1.950721599
TG 56:7; [M+NH4]+@9.67	1.770966268	-0.315457799	0.423767597	-0.015061705	2.166596959	-0.458435638	2.872992783	1.235347369	0.817488515	-0.624035809	1.59740571	1.172215509	-0.067602809	1.809243397	0.576645463	-0.85112449	0.4280532	2.431884794	-0.422359896	0.00865466	1.641607882	-0.499412975	0.708907346	0.894982309	0.275749741	0.967057854	1.517014094	1.757256218	0.993520394	1.214308899	-0.284574558	-0.848746407	0.185008181	0.306016064	-0.957320979	0.094397603	1.278123582	1.726656328	0.888094493	0.804401085	0.642944696	-0.976162461	0.784581178	1.464126198	0.56230722	0.569165066	1.358346687	1.551787275	0.513146289	-1.75856142	1.659953795	-0.740880032	3.156867702	-0.896966612	0.756628032	1.48929435	1.977515637	0.882288155	1.655766425	0.964023849	2.578240628	1.869285257	1.025315264	1.209696027	3.170206122	2.029314318	1.143692378	0.460219473	1.053233402	1.595191728	-0.830287659	0.987935342	-1.155760048	0.790722732	0.689247888	1.438338019	-0.027885428	1.457244669	-0.114467226	0.061370758	0.283842264	-0.954850292	1.212420991	-0.792077992	-1.256223282	0.847620057	-0.033876697	1.726117058	-0.456188276	-0.95541026	1.900819995	1.944062712	0.176054217	0.075340103	2.063126774	1.77158509
TG 56:8; [M+NH4]+@9.50	0.607958372	-2.001840538	-0.302745061	-2.677689545	1.554054661	-0.918295243	1.840516633	0.672665965	0.751909348	-1.133494451	1.311853004	0.440502207	0.019825607	0.814286992	-0.236986611	-1.882421593	-0.365229879	0.879103783	-1.343963727	-0.465114473	0.408322135	-1.401685843	-0.690676422	-0.893218056	-1.355080678	-0.46824232	0.890167882	1.595828708	-0.774233208	0.365110695	-0.851941921	-3.045695567	-0.37355184	-0.563011815	-0.860593345	-0.098389694	0.291809653	0.626964762	0.414572253	-0.428157365	-0.395357539	-0.75596339	0.027477925	0.306209504	0.794354274	-0.348802849	0.063261851	0.324408408	-0.077888533	-2.396814614	0.367564399	-1.408978397	1.389823527	-1.277357523	-0.41236315	-0.469941192	1.056291267	0.404384035	0.587554173	-0.036405222	1.238645804	0.998345366	0.363559647	-1.010313049	1.49604863	0.654780286	0.845438168	-0.433000047	0.263921717	-0.282602642	-1.686895632	0.123420572	-1.674571577	0.213378624	-0.086193645	0.603049677	-0.856140733	0.26180959	-1.712789784	-0.76199377	0.486469599	-2.500264501	0.436991397	-0.988654894	-1.629201598	0.057357053	-0.556544298	-0.188285007	-1.076182749	-1.397881311	1.128990654	0.936060822	-0.502316877	-0.742519155	0.800083693	0.797848464
TG 56:9; [M+NH4]+@9.19	-2.946851637	-4.980134704	-3.820396323	-5.334549812	-1.593217206	-4.470517544	-1.525578616	-2.361382415	-3.19071255	-5.057030075	-1.948845584	-4.033681331	-3.192525304	-4.746424118	-3.105440202	-4.90520875	-6.694617521	-1.622282358	-5.418887387	-4.12154776	-1.84957762	-4.914430596	-4.632787984	-2.885276863	-3.434996025	-3.159374675	-1.392914178	-2.060340222	-2.897234216	-2.727403267	-4.60926006	-5.418987716	-2.543862327	-5.606361988	-3.992380177	-3.317274501	-2.46546013	-2.651788179	-2.578773744	-4.286975607	-2.693201269	-4.190223556	-3.867189642	-2.403074783	-3.094253751	-3.2362247	-2.15006651	-2.542198683	-4.516009893	-4.565687982	-2.922507381	-5.090402499	-2.61610786	-3.516811431	-3.833974589	-3.612669367	-2.906968719	-3.921487875	-2.917985493	-3.423565475	-2.0829238	-5.857249284	-2.823937672	-5.106634061	-3.014237577	-5.421162809	-2.792655159	-3.364593114	-2.721607032	-4.04461255	-5.81421492	-2.795759134	-3.859653494	-3.100929527	-2.743575392	-2.930898071	-3.62508503	-2.808279798	-4.742748832	-3.591827096	-2.17992749	-5.720151853	-3.23790907	-4.805295171	-5.299159101	-2.932273131	-3.154992095	-2.257587594	-3.747295733	-5.449384785	-3.373795514	-2.823660362	-3.926601695	-3.287675663	-2.664173399	-2.650011015
TG 58:1; [M+NH4]+@11.06	-0.051511788	-1.684658802	-2.17353179	-1.344981974	-2.893328348	-2.199158083	-1.324611683	-2.642955251	-2.706325897	-3.67568705	-3.701423316	-0.303776292	-2.398224698	-2.475820775	-2.777512647	-4.678592526	-5.662395636	-1.40942935	-2.424121568	-1.134043428	-1.96300543	-3.147383341	-2.523992251	-3.570638714	-3.771091986	-2.794509798	-4.163814469	-0.417682182	-0.021516923	-3.818241351	-0.002396593	-3.971380902	-1.830434917	-2.698356573	-3.161270768	-2.856449526	-3.026102368	-3.454352933	-2.556434126	-2.041820034	-4.017523535	-4.220325472	-2.251204231	-2.649813877	-2.53785124	-2.062686001	-2.707909683	-2.042808879	0.099890321	-1.109579292	0.478692171	-0.656237011	0.875000798	-1.525528935	-1.083019017	-1.04584542	-0.900686595	-0.116232441	0.13763995	-0.8581392	1.537351143	-1.915115242	-2.637776179	-0.377351044	1.536412821	-2.006445778	0.577321681	-2.667695544	-2.732098656	1.372254259	-1.909095805	-1.685108034	-2.776313168	-3.097703353	-2.824999137	-0.446446992	-1.066541419	-2.255478213	-3.449797856	-2.617424114	-1.261586917	-0.738434678	-1.238030435	-1.180918652	-3.498212427	-4.478021647	-1.738324978	-0.460840542	-1.223131775	-0.661065263	-0.316042597	-2.268700421	-2.271553511	-3.074238718	0.930296357	-1.049193708
TG 58:10; [M+NH4]+@9.39	-2.07331895	-4.431091129	-2.774259316	-5.405054367	-0.517423215	-4.072488347	-0.899087366	-2.000241428	-2.85183294	-4.334720491	-1.005888119	-1.823137053	-1.445320501	-2.164365076	-3.641976405	-5.396519726	-2.604986568	-0.440877977	-2.923623775	-2.636018598	-1.167339339	-5.074748867	-3.848983496	-2.281952084	-2.479637547	-2.124838881	-1.357071036	-1.471903763	-5.012614063	-2.192879589	-2.851522067	-6.153169271	-2.701918661	-2.732516292	-5.194564853	-2.849237496	-2.055944125	-1.179597977	-2.645883868	-3.604849276	-2.886870558	-4.216086909	-3.223330942	-2.643775345	-1.337423988	-2.588068673	-2.314471884	-3.078567611	-2.558100626	-6.076677265	-1.682498044	-3.780073764	-1.757826562	-4.399706612	-2.424404598	-2.223825092	-1.263420491	-2.070006841	-1.957694289	-2.38761077	-0.310661239	-1.506202872	-1.81591612	-4.101887452	-1.084962186	-1.950249546	-1.040228381	-2.931564657	-2.008803567	-2.241658977	-5.635139065	-2.170024779	-4.631286196	-2.020677649	-1.946974508	-1.944749461	-4.304686111	-1.583781775	-4.883565391	-4.058151592	-2.097101173	-5.249621827	-1.787622632	-4.579437367	-4.700356757	-2.27568682	-3.021490497	-2.732829339	-3.803084009	-5.580873739	-1.809722513	-1.403783474	-2.961649496	-4.289849909	-2.516122451	-2.422873989
TG 58:11; [M+NH4]+@9.185	-5.609895858	-6.858591165	-5.058843574	-7.771586621	-3.421713561	-7.070529623	-4.300952809	-5.314679755	-6.3596506	-6.990350521	-4.558745684	-5.48366838	-4.17297976	-4.347745347	-6.267847302	-7.004084419	-5.083589482	-1.57706428	-13.01575258	-4.382493403	-4.578595253	-6.835598769	-3.539910316	-5.182435498	-4.166040797	-4.372320275	-4.535035094	-4.61345079	-4.756255388	-6.293665378	-6.626107704	-6.260525816	-4.63151286	-6.125195357	-8.444434317	-6.2191483	-3.575023599	-6.015501661	-5.060992985	-5.309659788	-6.385282133	-6.439174641	-5.72605903	-5.181875375	-4.756244076	-5.388571679	-4.33621676	-5.538524869	-7.241551022	-8.036868381	-4.192480535	-7.864362335	-4.093072696	-6.919815545	-6.64781105	-7.424027706	-5.048350058	-6.154015913	-5.412959524	-6.053894033	-3.807963823	-5.588455315	-5.109093939	-6.979564208	-4.782293471	-2.066321552	-5.071474192	-4.588236227	-3.892253423	-6.232327081	-6.605516008	-5.796264982	-4.712007464	-7.270743116	-5.43124002	-3.74200018	-5.735710791	-6.010844012	-6.828578297	-4.983702366	-4.653732746	-6.532926482	-3.353849352	-5.355682106	-5.902808425	-5.756883825	-5.553058093	-4.242340922	-6.940745937	-4.952703099	-4.016421765	-3.974337912	-5.369660433	-6.605216289	-5.161025839	-6.029348579
TG 58:2; [M+NH4]+@10.82	0.73762691	-1.586609572	-0.852931716	-1.29711794	-1.550988173	-1.767922514	-0.017248379	-1.597471499	-2.394236235	-1.732000088	-2.28225275	0.226054614	-2.363951977	-1.559973116	-1.92561174	-4.584033574	-4.000440951	-0.891398634	-2.096631632	-0.099761741	-1.255090876	-1.833364706	-1.918440495	-3.301670379	-2.612835797	-2.137049896	-3.445892946	-0.17068921	0.361686361	-2.499685432	-0.032145796	-3.277295404	-0.60472487	-1.277248232	-2.103363099	-2.797968399	-2.052879065	-2.213435175	-1.780167497	-1.344985445	-4.481435423	-3.658713058	-1.903492439	-1.605632359	-0.342229429	-2.092351782	-1.609785712	-1.430701121	0.187163675	-0.162525484	1.664326378	-0.656078796	2.869516338	-1.621151711	-0.698669833	0.652910723	-0.159288169	0.958182467	0.868541295	-0.424543696	2.060179232	-1.437763163	-1.261888137	0.892616826	2.258557003	-0.907517112	1.40127176	-1.541865073	-2.325063556	2.8325001	-1.102511125	-1.210617463	-3.05247106	-1.992354394	-2.421714601	-0.02121625	-1.32400874	-0.52414864	-3.074365038	-0.935203602	-1.031983454	0.058047564	0.186827677	0.319248274	-2.642236371	-3.756722949	-1.096295448	0.794553344	-1.185144196	-1.106417565	0.092165483	-1.2072096	-1.727608395	-2.309948267	3.049213114	-0.04528676
TG 58:3; [M+NH4]+@10.63	0.956933332	-1.142789803	-0.35380204	-1.137075919	-0.54160561	-2.583186408	0.072285682	-0.818232622	-1.03544613	-1.767050048	-2.248208665	-0.242080133	-1.882269625	-0.677849686	-1.664146345	-3.710096561	-2.883224668	-0.906369599	-1.107191017	-0.00017806	-1.38428797	-1.290475128	-2.236666743	-1.444734699	-3.042910406	-2.038700319	-2.375543024	0.420242915	0.002480535	-1.2958681	-0.657763917	-3.165864386	-0.930885586	-0.91493283	-1.746929947	-1.448864695	-1.674074105	-1.608519437	-2.475694588	-0.806559044	-2.468449637	-3.463025244	-2.061124052	-1.245846203	-0.137035424	-1.359627281	-1.095774786	-1.30927947	0.312653425	-0.040063559	2.135479639	-1.463118981	3.710383463	-2.640969116	-0.426246738	0.650142699	0.404266245	1.083697161	1.130495222	-0.042470366	2.486587935	-0.193518747	-0.816598935	1.715586541	2.701884858	-0.642654296	1.286162418	-0.651136955	-1.240067662	3.440832409	-1.341943071	-0.203944008	-2.268719981	-1.419772079	-2.059348757	-0.516691546	-1.53882985	0.50612753	-2.415531381	-1.141407333	-0.942754836	-0.017866152	0.003119703	1.462101688	-1.25406424	-2.864410567	-1.142017682	1.923529438	-2.183540272	-2.016494092	0.202657843	-0.523012758	-1.643965979	-2.419108244	4.059183096	0.481707255
TG 58:4; [M+NH4]+@10.44	1.213740343	-1.852142608	-0.219311142	-0.934145178	-0.613956592	-2.10173575	0.201145532	-1.731306976	-1.34717193	-0.898086468	-1.968788349	0.12252801	-2.084003687	0.007012308	-0.489877224	-4.296136785	-1.998162179	-1.360112057	-0.788074033	-0.413682295	-0.152385756	-1.329734762	-2.397615722	-1.028865687	-2.341132582	-1.374067932	-1.914900451	0.027777402	0.21266413	-1.281864826	-0.902195707	-3.198668908	-0.913147446	-1.369156138	-1.678960597	-1.577981734	-0.567060787	-0.922748301	-1.102753485	-0.525880648	-2.00685226	-3.344610933	-8.302849073	-1.771938315	-0.023449374	-0.839263704	-0.634157368	-0.439808378	0.239207414	-0.571636282	2.267405307	-1.246282497	3.266874416	-2.307725368	-0.28859901	1.138361357	0.447948045	0.816494338	0.402883144	0.295059849	2.68853294	-0.143466113	-0.418102063	1.760655855	2.970405298	-0.86509056	1.615433895	-1.525083642	-1.168116092	2.750815219	-1.869519095	0.291504009	-3.487167103	-0.22860531	-1.219598223	-0.238715691	-1.667810399	-0.14830149	-2.981895226	-1.590419187	-0.722817497	-0.289999406	0.007355589	1.327565648	-1.331367025	-1.993894588	0.492868673	1.616551897	-2.330838171	-2.161755857	-0.010751011	-0.372458237	-0.548155301	-1.897603403	4.163311799	0.519460004
TG 58:5; [M+NH4]+@10.295	1.707355013	-1.583392793	0.213928235	-0.789239488	0.325414095	-1.218659173	1.28526429	0.097021261	-0.005605436	-1.077573732	0.376102755	0.55789769	-0.678439344	-0.129966293	-0.267330782	-2.782574519	-1.326758489	-0.4073737	0.044459302	-0.33821621	0.233047507	-1.106603892	-1.804004377	0.113572511	-2.188468493	-0.59870461	-1.043003107	1.494200516	-0.726474734	-0.692131059	-0.907656861	-3.344993144	-0.130525761	-0.574185514	-0.933760536	-2.231011113	0.102215297	0.492685685	-0.329994015	0.017233257	-1.547954257	-2.328229443	-1.131974249	0.249475557	0.702996981	-0.394657288	-0.274616498	-0.28700637	0.20966831	-0.739556569	2.484810177	-1.1495635	3.384350166	-1.449008298	0.253137447	1.740738797	0.949536445	0.967785102	1.207351275	-0.442866063	2.943731887	0.883478461	0.385955769	1.686060355	3.329267981	-0.721680558	2.334323475	-0.386891797	-0.038315788	2.348985663	-1.172829289	0.832629647	-3.151800388	0.105489114	-1.855091047	0.26629952	-0.59885371	0.544411278	-2.082469165	-1.383336328	-0.606930343	-0.460816077	1.255704995	1.039640586	-0.556801845	-0.895722202	0.472198432	1.807471053	-2.174077013	-2.081019162	0.56499497	0.090430559	-0.582364291	-0.925139066	-3.94056473	-0.1623709
TG 58:6; [M+NH4]+@10.11	1.703296661	-1.386775013	0.103840044	-1.399843409	0.880818741	-1.343480931	1.970766164	0.138119309	0.459359409	-0.64257706	0.932255824	0.619841274	-0.035582323	0.673333566	0.281432072	-3.035732451	-1.074575437	0.819919677	-1.326933183	0.038719706	0.793505196	-0.193643729	-0.968634758	0.391422016	-1.653941046	-0.096096024	0.054650197	1.969940239	-0.549187851	0.053382088	-0.994056921	-2.268427538	0.272748878	-0.322971991	-0.672008387	-0.783437924	-0.067418129	0.855268746	-0.231528221	0.042661392	-0.828182172	-2.34364554	-0.730713804	0.438845568	1.343501526	-0.254690379	0.442006874	-0.028705623	-0.083068976	-1.534197704	2.242801975	-1.321634838	3.112272446	-1.568997166	0.202365248	1.345829265	1.579030965	0.464979524	1.174426985	0.37887618	2.776624972	1.127194305	0.645335772	1.771678738	3.247789872	-0.545316485	2.139880425	-0.12368464	-0.163005975	2.047427958	-1.302227192	1.007226528	-2.341920904	0.211808341	-0.540755491	0.114812479	-1.617385056	0.426711134	-2.036338666	-0.754158054	-0.052660147	-1.320280136	1.621156248	0.575137873	-0.842672277	-0.77567255	0.621873484	0.947688363	-1.694480148	-3.049154129	0.693187622	0.691247357	-0.180455734	-0.343782883	2.811382458	0.842101621
TG 58:7; [M+NH4]+@9.935	0.839305519	-2.470529245	-0.765254436	-2.41624757	-0.144618681	-2.421813469	1.575856808	-0.723449261	-0.45951883	-1.188078498	0.162257613	-0.370746027	-0.500318494	-0.584577698	-0.866220241	-4.477509307	-2.338471686	0.891064248	-0.458236697	-1.105282976	0.46537614	-2.164214093	-0.76799717	-3.081391618	-1.792414308	0.01139789	-2.735428634	1.52511362	-0.874323915	-0.241669479	-1.517767204	-2.34556424	-0.167736636	-2.1789192	-2.245206729	-2.034266727	-0.5113374	0.158812073	-0.739580974	-2.964768672	-3.018464876	-2.91741463	-1.22288724	-0.816755457	-0.459697908	-0.97418179	-3.388675017	-2.527692788	-0.508560905	-3.457516191	0.233283766	-2.080076577	0.771091794	-2.087176495	-1.072834099	0.239868529	0.415437773	-0.036784362	0.391849832	-0.233049004	0.961387136	0.518035646	-0.890965413	0.899364988	1.492592571	-0.506585457	0.085286676	0.06971863	-0.263034652	0.861502331	-1.793101479	0.290557234	-2.342933613	-1.593884506	-0.417043514	-0.180705387	-0.939518664	-4.356416355	-1.603870468	-2.05843119	-0.883037061	-2.257707692	1.20496081	-1.110639544	-0.982849056	-0.18477294	-4.058351514	1.146924328	-1.834908887	-2.392326359	0.718880638	0.416407916	-1.004197729	-4.131390763	-0.229006042	-4.780875222
TG 58:8; [M+NH4]+@9.71	1.19462263	-1.40099058	-0.961345067	-1.552512832	1.309221319	-1.999515117	2.230605927	0.763219844	0.584583095	-1.170223663	1.376786929	0.417987551	0.153275739	0.720781341	-0.337458631	-2.548882691	-2.543105476	1.327611406	-5.732079822	-0.461896946	0.639216662	-1.108527353	-1.330274125	0.150936208	-1.697137177	0.092094691	0.643753208	1.636581864	-0.769190161	-0.025873434	-0.757998985	-2.699418618	-0.264507972	-0.711543335	-1.329999302	-1.177254675	0.098725758	1.010510077	-0.161418737	-0.567038546	-0.480350416	-2.001259358	0.0078659	0.638805221	1.002836466	-0.004617921	0.232112789	0.39906164	0.027787822	-2.527103509	1.186785063	-1.807756835	2.271551584	-1.419786753	0.165979669	0.245271505	1.236964621	0.08375297	0.663699762	-1.061828619	2.148513221	1.073935682	0.359883292	0.24863356	2.398747676	0.579217285	1.065876966	-0.671750253	0.117342298	0.518123981	-2.131662624	0.396089718	-3.315599665	0.077281861	-0.213577131	0.726132791	-1.21142148	0.522002806	-1.62622492	-1.058904422	-0.899539361	-2.179937037	1.207117568	-1.164258375	-1.17811099	-0.417170176	-0.236208785	0.824172221	-2.387583249	-4.374238384	1.023665217	0.589711185	-0.461294258	-0.681103726	1.116521514	0.350756378
TG 58:9; [M+NH4]+@9.55	-0.189568034	-2.599489254	-1.522338982	-2.387579986	0.62353247	-3.00721659	1.385334318	-0.530768301	-0.085143443	-2.163562774	0.228231508	-0.414698096	-0.679954677	-0.351812962	-1.177800989	-1.786225196	-0.809209965	0.098869022	-1.822372918	-1.268852724	-0.185402039	-1.83076319	-1.846480404	-0.723720927	-2.033225015	-1.13998634	0.321720025	0.704867858	-1.002924308	-0.956353995	-2.176229943	-3.305979571	-1.01968528	-1.147548842	-1.638219343	-1.374935966	-0.560334884	0.222137712	-1.177728872	-1.19145579	-1.016861027	-1.752902096	-0.855888363	-0.267031005	0.009625412	-1.02068915	-0.603815227	-0.359209796	-1.320464299	-4.328600512	-0.168804551	-1.996544277	0.971330522	-1.987519611	-0.881951003	-1.144084165	0.465089611	-0.726070245	-0.515665817	-1.248171352	1.048164652	0.026192058	-0.637460352	-1.499008463	1.391704146	-0.537908119	0.057077472	-1.052229298	-0.40869358	-0.857289177	-3.1543298	-0.306300999	-3.329206375	-0.684127987	-0.81893969	-0.241171639	-2.152617914	-0.18429425	-2.928417149	-2.377389431	-0.973761706	-2.062470419	0.136396855	-1.891206661	-2.101850289	-1.219201877	-0.889264449	-0.282770273	-2.607652098	-2.602910487	0.414826804	-0.024545511	-1.361463899	-1.447739176	0.123453872	-0.161431537
TG 60:1; [M+NH4]+@11.26	-1.315125644	-2.763417881	-3.051782819	-2.466014003	-3.50303529	-3.917405231	-3.513762305	-3.545739885	-4.075460387	-3.957553444	-4.39466692	-2.002393263	-3.765181229	-6.138877759	-4.016569446	-6.324730589	-7.108374708	-5.284205141	-6.527818001	-3.926748307	-4.133897812	-4.551631029	-4.205840385	-5.237952022	-5.720421384	-6.220240853	-5.52489274	-1.881851005	-1.236437829	-4.864327556	-1.286880791	-5.735887407	-2.983063805	-3.953973506	-5.163340578	-4.664068484	-6.105465389	-5.104274148	-4.712350899	-4.61785638	-7.499660052	-4.998416041	-3.525969076	-3.31118147	-3.593882248	-4.316912336	-3.830830643	-4.155048817	-1.407071838	-1.945639511	-0.740024994	-2.271189643	-0.58315363	-3.362529475	-2.680860098	-2.409617698	-2.677697432	-1.823602929	-0.991780855	-2.623812559	-0.177606358	-4.870398203	-4.65010695	-1.869145478	-2.048558835	-5.336313537	-1.804198161	-4.913801479	-4.459136087	-1.110459465	-4.438393822	-3.307191292	-5.871452699	-5.481248025	-4.308007593	-2.706265464	-3.686041028	-3.873701448	-5.269955459	-5.800117953	-2.752469534	-6.217932971	-2.982652951	-2.695317932	-6.635512551	-7.106150657	-3.081344597	-1.8842572	-2.527918467	-2.89824014	-2.7867712	-3.485830399	-3.761995269	-4.726646778	-0.179731391	-2.929979498
TG 60:10; [M+NH4]+@9.62	-0.699177175	-3.534161447	-3.028128599	-3.832328786	-0.374683274	-4.846745304	-0.002016359	-2.151596747	-1.365079058	-3.085644927	-0.436257763	-2.634600748	-1.259340954	-2.125776431	-1.845057367	-4.369316055	-3.415363688	-0.578687805	-3.689806459	-2.835822695	-1.069152791	-9.383446197	-4.709003729	-2.198601994	-3.70633357	-1.503959185	-0.464617876	-0.381795102	-4.497047406	-2.195991076	-3.482252781	-5.079224451	-2.309566805	-3.562707629	-3.188748178	-2.724215996	-1.77240426	-0.808857505	-1.281519939	-2.700142658	-2.657073786	-2.950251318	-2.547865355	-0.954831409	-1.149776631	-3.055059381	-2.373704875	-2.386561477	-2.188455303	-5.533345568	-1.422373765	-3.665910158	-0.698168522	-3.561126108	-2.481884234	-2.025412395	-2.20539201	-2.154408701	-1.410770934	-2.938803614	0.490161846	-1.429956515	-1.249347916	-3.049673945	0.646727107	-10.05812952	-2.626893668	-3.339555828	-1.388830344	-2.419483648	-3.921416794	-1.973717062	-4.659793867	-1.704384418	-2.567520586	-1.700330135	-3.996175691	-2.222118314	-3.722716617	-3.37223768	-1.76600131	-8.092513927	-0.550107231	-3.478474915	-3.924336951	-1.714664838	-1.961391097	-0.86669552	-4.432874687	-7.581480234	-0.990939184	-1.870115928	-3.069234103	-2.626723084	-1.929220908	-1.270792815
TG 60:11; [M+NH4]+@9.48	-2.736710812	-4.923405898	-3.550316083	-5.520214671	-0.93193788	-5.360043032	-0.43643822	-3.057175279	-1.979947009	-6.429790369	-1.281557249	-2.020772368	-2.109086822	-3.699248865	-4.729321892	-5.558454643	-3.251651274	-0.756801996	-4.074961849	-4.06936431	-1.963317075	-4.943974245	-4.218004002	-3.283157169	-4.354277243	-2.706864182	-1.30379469	-1.170967559	-4.066936437	-3.675032118	-3.859137704	-6.013634073	-3.879977423	-4.752224453	-4.412166933	-3.058308934	-3.463614946	-2.180975049	-2.07456409	-3.459760042	-3.406003598	-5.042557005	-2.755058879	-1.96806953	-1.675105079	-3.509368784	-3.021740354	-2.540613392	-3.523077177	-6.998397677	-1.710608851	-4.524322116	-0.709703572	-5.693804294	-3.661897616	-2.884455141	-1.551724745	-3.007896705	-2.606229949	-2.789203126	-0.8140137	-2.794108559	-2.341174145	-3.788559447	-0.438207049	-1.740523309	-2.334521509	-3.853000705	-2.516344552	-3.086465486	-6.380952392	-3.196764785	-5.596066212	-2.716900282	-3.141446735	-2.334104621	-5.735832421	-3.442666939	-4.780677604	-3.546976476	-3.080793659	-5.610871358	-1.84789327	-5.76469491	-5.321276759	-2.325690195	-3.427430568	-2.004200059	-4.612342319	-7.317043395	-1.593080293	-2.464161396	-3.245929494	-4.579727637	-2.131481284	-3.105501882
TG 60:12; [M+NH4]+@9.245	-2.193874882	-5.537617211	-5.089731148	-5.978252103	-0.760210818	-6.632530236	-1.367616139	-2.785577731	-1.661575651	-5.583344006	-1.841940113	-2.512656407	-1.630072764	-4.278381856	-3.733496389	-6.663797449	-4.68301222	-1.112389839	-6.438717998	-4.226226429	-3.650414242	-5.956442086	-5.170202372	-4.470263969	-3.989574694	-3.229467572	-1.556106222	-1.582118396	-4.858016631	-3.482913311	-3.991113799	-4.775023716	-5.655452854	-4.645280346	-5.224144889	-5.441749479	-3.18308293	-2.599964662	-2.772243475	-5.919973256	-4.156786531	-7.243474481	-2.760178364	-2.987345117	-2.025443515	-6.197138308	-3.490018917	-3.662753819	-3.429251469	-6.764697954	-1.808134513	-4.626435348	-1.40416605	-5.241973852	-2.853377557	-3.67487408	-1.872004929	-1.675957545	-2.489872029	-3.35258271	-1.573969536	-2.408900213	-2.946756702	-4.49747986	-1.343043123	-1.632731723	-2.58384397	-3.344937521	-4.239720477	-4.416679251	-8.076119251	-1.963197037	-7.177001288	-2.183625381	-2.720466307	-2.145727225	-5.1500061	-2.128532273	-6.524672215	-3.952981023	-4.848702562	-5.798005974	-3.694926775	-6.175751979	-5.634987658	-3.328816741	-5.552206259	-3.005282545	-5.016901968	-7.358949571	-1.773474113	-2.292902322	-3.290421465	-5.879327538	-2.76108124	-2.076245601
TG 60:2; [M+NH4]+@11.06	-1.206176789	-2.63471016	-2.198023321	-3.001520493	-1.673258501	-2.843575884	-1.451247964	-2.976333307	-3.118419597	-2.740297898	-3.74527447	-1.007935805	-2.641417489	-5.120935584	-3.533424882	-5.935677866	-6.802559172	-2.218378823	-3.657838246	-1.221594333	-3.846874877	-2.345649161	-4.428525529	-5.26189593	-5.443571855	-3.628463134	-3.776670211	-0.574793731	-0.767813904	-3.928438065	-1.013837913	-4.324804119	-2.252112556	-2.138807855	-3.559792759	-3.755476338	-3.862816333	-3.253284486	-3.291619458	-2.921152584	-5.674702352	-4.238931647	-2.55091934	-2.781817232	-2.277494901	-2.981232107	-2.418485055	-2.003279402	-0.903681217	-1.712986204	0.200260381	-2.092570399	0.967042456	-2.9120348	-1.647527097	-1.079515367	-1.805618089	-1.12583703	-0.656672723	-1.904874191	0.757749101	-2.851971938	-3.330932961	-0.061072733	1.449548379	-2.093222474	0.455031579	-3.416814045	-5.33689106	1.239290973	-2.737685901	-2.014939109	-5.394571587	-3.318977637	-3.34988844	-0.711736711	-2.056244978	-2.280236448	-3.987997415	-2.64556604	-2.338591324	-2.170921894	-1.659559981	-0.959049688	-3.767300789	-5.943252767	-2.09077165	-0.104609989	-2.102774102	-2.346377538	-1.283696854	-1.77336699	-2.673818167	-3.473790766	1.656777379	-1.697883254
TG 60:3; [M+NH4]+@10.85	-0.825350669	-2.598487871	-2.307665375	-3.915781103	-2.292394923	-2.86122363	-0.756898933	-2.504080551	-3.542662645	-3.312837184	-3.34347321	-1.317121316	-2.800514541	-2.781628309	-3.193387026	-5.450974795	-4.829242271	-1.812038528	-4.254757704	-1.078565499	-2.080973729	-1.92069665	-5.346467549	-4.444963793	-4.628732236	-2.811892431	-4.478020567	-0.321590548	-1.80739677	-3.432666431	-1.944538174	-4.649636374	-1.961361216	-2.69313016	-3.064193396	-3.81943644	-3.449856759	-2.767559828	-3.20031885	-2.227972403	-6.508197847	-6.842190125	-4.409217218	-2.067045726	-1.847561925	-2.830383859	-2.647986594	-2.572348952	-1.84403737	-2.12677664	0.451632369	-3.325324847	1.652657453	-3.432336255	-1.661490425	-1.028229865	-1.458860211	-1.446155737	-0.397573666	-2.448708974	1.135830701	-3.00464954	-1.894353481	-0.300248959	1.634910017	-2.216042345	-1.317179557	-3.028167421	-3.093079924	1.189635362	-2.267696264	-1.403567861	-5.007015555	-4.835602141	-3.173104545	-2.251480281	-3.984950646	-1.257708806	-4.208928174	-3.469312969	-2.045268264	-1.496110207	-1.640094158	-1.143788843	-3.165023696	-5.577204764	-1.792372909	0.199433777	-3.281202599	-3.728659784	-1.973442944	-1.883893609	-2.3174824	-2.916617348	2.470556994	-1.71410922
TG 60:4; [M+NH4]+@10.67	-1.078346673	-3.077992749	-2.34759328	-2.876328853	-1.661583237	-3.205811991	-0.315083158	-2.649685824	-3.33245047	-2.737871881	-3.115357191	-2.281025151	-3.254325931	-2.295132477	-2.884599424	-5.06600569	-5.066831135	-2.918917452	-1.694299652	-2.085132609	-2.324138985	-3.086319027	-4.799456355	-3.735655433	-5.44113075	-4.044841792	-3.151982409	-0.715242812	-2.592545194	-2.837366193	-2.029415148	-5.7482232	-3.357441306	-2.811020848	-3.15352919	-3.414625829	-2.970681746	-2.110964504	-2.304683168	-2.839371325	-4.113238874	-5.122610481	-3.920789599	-2.74147728	-1.291329776	-3.451948052	-2.818397761	-1.936986714	-1.388955957	-2.841526225	1.040778938	-2.988738877	1.387554618	-3.372595986	-1.810646123	-0.882763206	-0.955157001	-1.050817181	-0.852272232	-1.794917838	1.149392583	-2.988457521	-2.126379885	-0.183221525	1.49423384	-2.59978004	-0.498643504	-2.781558543	-3.427879983	0.903037105	-2.860703861	-1.564509059	-5.051204422	-3.2904206	-3.194002247	-2.611950221	-3.162564133	-1.312596107	-4.306803452	-3.639761885	-2.139052437	-1.477661743	-1.918023999	-0.481663646	-3.084043686	-4.525346787	-1.39724308	0.291516552	-4.402944195	-4.175584964	-1.716701816	-2.278777719	-2.552980905	-4.358179259	2.438511889	-1.497110298
TG 60:5; [M+NH4]+@10.56	0.043778874	-3.546603018	-1.469397833	-2.638712672	-1.774029776	-3.151749369	-1.07073654	-2.146565268	-1.799512664	-2.21312006	-2.690672449	-1.865828428	-2.545465151	-2.18598414	-2.160369075	-4.900090235	-3.191398336	-3.332542773	-1.959626501	-1.978494513	-2.261708967	-2.120451725	-4.991414164	-2.780389257	-3.296253921	-3.204273392	-5.465751561	-1.874577114	-1.838011044	-8.146095753	-1.574892551	-5.72399594	-2.522984711	-3.530650091	-6.806687887	-4.960312066	-2.854511506	-3.617249219	-2.332925543	-2.495734347	-6.720555589	-6.939344992	-4.35546082	-2.901747282	-1.061150409	-3.143518614	-3.39969588	-5.255816128	-0.957654907	-2.230369658	1.261045975	-3.24432975	1.307665867	-4.570574058	-1.644081277	-0.959350164	-0.657885096	-0.773648516	-0.800973163	-1.657219669	1.327869579	-1.109804858	-2.937829808	0.250949818	1.318667107	-3.316174577	0.795411784	-2.47332878	-1.821938975	1.089386686	-8.92636994	-1.617766117	-6.062791197	-3.802596558	-5.908059009	-2.965901418	-2.657692526	-3.706234078	-4.806032594	-3.035703696	-3.749341575	-1.251514859	-6.639711503	-4.165690733	-2.339234119	-5.979069483	-4.289445859	-2.349465263	-4.610739767	-3.691119873	-1.210525163	-2.143741515	-2.333789511	-7.611503159	-3.247014616	-5.587674959
TG 60:6; [M+NH4]+@10.34	-0.054437372	-3.539567006	-1.415299489	-2.200931983	-2.598797036	-3.802705959	-0.170295244	-1.744248362	-1.829414421	-3.14674876	-1.952768118	-1.179978968	-2.328451118	-1.36357385	-1.967127207	-6.094906573	-3.079414572	-3.505138737	-2.100727879	-1.886846194	-1.18873229	-1.864853694	-4.806883083	-2.667486665	-5.922086442	-2.065164009	-2.862742229	0.190135309	-1.909348839	-3.481026744	-2.710675631	-5.907307451	-2.000682731	-2.532737916	-2.458782006	-3.364672265	-1.334265223	-1.623918175	-1.853725834	-2.015731572	-2.968663111	-4.348865523	-2.95667279	-1.330990024	-0.98169797	-1.8206313	-2.291017689	-1.645390733	-1.669514264	-2.498267434	1.244538315	-3.489096795	1.711375428	-3.482165739	-1.100063402	-0.018214817	-0.099576477	-1.502395738	-0.426501514	-1.196595731	1.108902681	-0.8148667	-1.604078002	0.154449761	1.783519068	-3.035150827	0.473772224	-2.373007485	-2.075028729	0.869816559	-3.483557446	-0.900169586	-4.954895528	-1.790308069	-2.544705511	-2.874962652	-3.527267668	-2.173343325	-4.662740465	-4.100098085	-1.989661342	-2.005316318	-0.800418741	-0.583280272	-1.632801742	-3.149789422	-1.144386454	0.660642592	-3.632475885	-4.79845856	-1.168961854	-1.897968831	-2.387420945	-3.239546904	1.851687084	-1.613368051
TG 60:7; [M+NH4]+@10.16	-0.449571993	-3.113055259	-1.464008966	-2.71108608	-1.246716536	-3.979051808	0.220751653	-1.906630211	-1.603015137	-1.654697495	-0.601008675	-1.483053838	-2.123526234	-0.685209924	-2.752463768	-3.588410293	-2.822780015	-0.631113713	-2.235929624	-2.256618374	-1.482709537	-1.683141099	-3.731211132	-1.872182951	-2.841743093	-2.313351533	-1.466557889	-0.829616715	-3.227182211	-2.261044892	-2.300560776	-4.275216094	-2.577778264	-2.271757166	-3.714600401	-2.477324949	-1.460521192	-0.792674901	-2.12689007	-1.69983013	-3.337633783	-4.112678452	-2.096780966	-1.06742932	-0.497415114	-1.700395087	-1.499033123	-1.13219044	-2.782755602	-3.128141573	1.082285546	-3.013358455	1.056181823	-3.127588928	-1.806860287	-0.690884649	-1.531470781	-1.791581851	-0.418631984	-2.315627848	0.622340842	-0.640465255	-0.968464108	-0.147316429	1.79779669	-1.862732201	0.3143917	-2.473074546	-1.65961681	-0.063940721	-3.613163886	-1.853870209	-4.682549926	-1.353560614	-2.050400466	-1.794037896	-2.698695377	-1.490673111	-4.495907027	-3.047183139	-1.82065993	-2.880065964	-0.782480761	-1.214383222	-1.983294045	-2.099613136	-1.331683994	0.507396564	-3.340778731	-4.903420107	-1.872035729	-1.115721168	-2.2743697	-2.072329867	1.208810918	-0.720995129
TG 60:8; [M+NH4]+@10.05	-0.896942908	-2.197961703	-1.875449349	-2.836612647	-0.546327937	-2.922663766	0.873213743	-0.666860696	-0.696876589	-2.249454337	-0.161121707	-1.11309556	-1.666674931	-0.44950288	-2.198458292	-3.169984381	-1.719155812	-0.539555188	-2.206571938	-2.14725172	-0.447491856	-3.063194378	-2.508191396	-1.171753539	-4.79050664	-1.227377204	-1.146104979	-0.105721374	-3.311482616	-1.512880053	-1.824346602	-5.870425312	-1.684773474	-2.470813628	-2.551284782	-2.639292658	-0.926134447	-0.243834023	-1.570846727	-1.525919275	-2.480036427	-4.482677654	-1.795004741	-0.902431368	-1.060942148	-2.695468641	-0.986594819	-0.667745927	-1.883528824	-4.981943344	0.850473405	-2.901059442	1.189832242	-3.58216525	-1.952460125	-0.82568566	-0.23623218	-2.069577813	-0.459867041	-1.984437514	1.068128124	-0.635449013	-1.18445075	-0.839017202	1.531941289	-1.885365285	0.129124312	-1.424197834	-1.425850078	-0.378626016	-5.190415356	-0.959474556	-3.82288706	-1.549273365	-2.345472375	-2.262945791	-2.673170275	-1.517013664	-3.549660437	-2.826308618	-1.277081008	-2.743740724	-0.178567175	-2.290968615	-1.962033101	-1.287752215	-1.341205975	0.160996686	-2.582676027	-5.124800498	-0.138353916	-0.459358162	-1.265526744	-2.529201755	0.498975643	-1.168372688
TG 60:9; [M+NH4]+@9.72	-0.535899503	-2.817861419	-1.859825894	-3.821195241	-0.618457702	-5.816946255	0.644841952	-1.297192025	-1.384492254	-2.418167501	-0.090600981	-1.259206614	-1.55334567	-6.616759181	-2.359889675	-5.349665167	-6.597519117	-13.76378852	-5.343900956	-3.494074919	-0.299397489	-7.413100581	-2.238962168	-1.257574207	-3.461356607	-1.805948411	-0.292676564	-0.007883151	-3.473846118	-2.233896438	-2.467469827	-4.768068393	-1.318917063	-2.817450673	-3.206673003	-3.485996003	-2.165570095	-0.524431552	-1.838077502	-1.400346852	-2.205826775	-4.309917293	-1.834715166	-0.826832411	-0.436559204	-1.618371158	-0.820887085	-1.057547531	-2.312086266	-4.904724547	0.193053894	-2.823550054	0.466859348	-2.898555907	-1.626858028	-1.224529799	-0.303049042	-1.946426534	-1.125504682	-2.254704793	0.888546598	-1.102961344	-1.129017759	-1.365307198	-7.161345647	-1.475642233	-6.541229361	-6.420906982	-5.433971496	-0.851511171	-4.910641409	-1.026924524	-5.116624477	-1.339617367	-1.451969447	-1.477919942	-3.234597646	-1.613909466	-3.098235253	-3.355833973	-1.591187544	-4.688314536	-0.293335214	-3.402571228	-6.92342906	-2.29222009	-1.9125551	-0.841097083	-2.863252745	-5.157267959	-0.327534407	-0.703331328	-2.275124694	-3.020422998	-0.436251137	-1.071773234
TG 62:11; [M+NH4]+@9.60	-2.472975616	-5.130773099	-4.763179217	-4.801158893	-3.29727718	-4.765279077	-1.209662392	-2.996147518	-4.353884562	-3.855053439	-1.806667593	-2.967421822	-3.48294986	-2.51186587	-3.246465318	-5.336178479	-4.128226606	-5.247158519	-3.50286447	-4.630269723	-2.560842162	-3.92381563	-6.475500928	-3.735678127	-7.119416154	-2.668116167	-2.023402922	-1.729583203	-5.732533625	-3.795068043	-5.456710265	-4.113531217	-3.749529846	-3.691711552	-4.249461896	-4.251055371	-3.604409335	-2.611739913	-3.339375425	-4.866804266	-3.792705057	-4.129222715	-3.231087412	-2.655139073	-1.975160191	-4.430496168	-2.566559864	-2.958950831	-4.47270947	-6.769702769	-1.826597155	-4.834842464	-2.534793398	-4.441264884	-2.955878953	-3.695761068	-3.079300543	-3.870340049	-3.347681442	-3.997007423	-1.04624255	-6.892530914	-2.77649509	-3.032562262	-2.000158609	-4.528718093	-3.647043287	-3.94664692	-4.189203696	-7.041107002	-6.228828752	-3.188412968	-5.236125962	-4.176795385	-3.268894524	-3.458140246	-3.642126741	-3.8696729	-5.812100445	-5.012753947	-3.967446769	-7.884261415	-2.735380552	-4.677215834	-4.033690487	-3.96142985	-3.651910969	-2.359692757	-4.656108237	-5.601325342	-2.684607885	-2.182360816	-3.998385226	-4.194767315	-3.740683521	-3.777211002
TG 62:12; [M+NH4]+@9.47	-2.688798218	-5.872506378	-4.880339962	-5.726833656	-1.706956712	-5.557805301	-1.352649934	-5.081330823	-2.85926565	-6.202304099	-1.391334862	-4.365374005	-2.853949751	-3.573042662	-4.199737426	-6.833578191	-5.897576823	-2.094995203	-13.01575258	-5.296088592	-2.541818678	-4.887089838	-5.740273727	-3.822223901	-4.379378277	-3.21352158	-2.23968791	-2.001450886	-6.511234302	-4.614093735	-5.252673333	-6.635719113	-4.522215199	-3.876171153	-5.535645857	-3.845865248	-3.183759962	-2.092622127	-3.392256217	-4.473696764	-3.419761717	-7.991047512	-3.738172396	-3.249754926	-2.439099107	-5.781164166	-3.100810375	-4.073761809	-4.220940045	-7.370350892	-2.290962521	-6.170447469	-2.648145104	-5.069537624	-3.528420098	-4.182815652	-2.50720145	-4.001863591	-3.632202759	-4.106143516	-1.300270324	-3.098318433	-3.557948522	-4.278906304	-2.412210372	-2.969290765	-2.457833162	-5.529976788	-3.987997698	-4.352194401	-6.662221176	-3.430670769	-4.590413289	-3.370484504	-4.15533073	-3.698096267	-6.017638719	-3.725363997	-5.139787142	-4.766425428	-4.816971312	-7.836010369	-2.587732292	-6.143407054	-5.967748814	-3.370643856	-4.125484089	-2.513728878	-5.221631271	-6.850072084	-2.701950568	-2.281393122	-4.086235258	-4.505395959	-3.308837295	-3.992344517
TG 62:13; [M+Na]+@9.38	-4.040687713	-5.445068274	-6.056510172	-7.391967911	-4.261069601	-6.540017122	-2.183156591	-4.229676138	-4.428564598	-7.502125266	-3.18268139	-5.927965609	-5.318060603	-4.610097318	-4.851620995	-6.493144666	-4.491103025	-2.145876165	-5.782345125	-5.418862895	-3.516757813	-6.565033289	-6.55600564	-6.96087776	-6.312574364	-4.384230776	-2.484299285	-3.896558296	-5.204265555	-5.913487573	-5.787533749	-6.324639247	-4.501020061	-4.712632657	-7.257872211	-5.49993482	-4.238943176	-3.642912732	-5.259067276	-5.936456901	-3.714728512	-6.552781397	-3.480026223	-3.981070941	-4.131365327	-4.068283414	-3.845854889	-7.643244689	-5.862732772	-8.027125589	-4.540846202	-7.029567901	-3.585988175	-5.753201014	-5.593944602	-5.820296296	-5.494417373	-4.494120487	-4.165012446	-4.955207057	-3.114572546	-4.442393227	-4.024421047	-5.054698201	-3.064809041	-2.710803002	-4.661879579	-5.034525317	-5.283191463	-6.266836864	-8.013303217	-4.865086006	-6.076890682	-4.719364275	-4.402249298	-3.744152835	-5.688264676	-5.486280382	-7.031206568	-5.039851559	-5.091723781	-8.197698815	-3.646122137	-7.81802708	-6.101145115	-3.169202273	-4.851698592	-3.973010163	-6.515330784	-7.203649807	-3.572659193	-3.924036161	-4.618735517	-5.368500201	-4.379850578	-3.856479411
TG 62:14; [M+NH4]+@9.155	-6.65536941	-6.533960455	-5.706786607	-7.856801513	-3.459367063	-9.240921744	-2.917378884	-6.782340333	-6.882020545	-6.410017918	-3.476897684	-4.999558584	-4.890327864	-4.386115731	-6.418537577	-6.012831414	-5.314561387	-3.344864291	-5.170420052	-5.623886663	-5.377053697	-6.883264713	-6.937559093	-7.219142808	-6.764058797	-4.23863824	-2.80756818	-3.652244609	-6.055638292	-6.421764433	-7.981145821	-5.193275796	-5.382234068	-4.704982403	-8.431573259	-5.392400318	-5.931643402	-3.887098425	-4.750906543	-6.611678778	-3.944199174	-7.574371372	-4.955722309	-6.123688638	-5.216614727	-4.663307523	-5.812889242	-5.636572851	-7.238294223	-6.793342233	-4.227024459	-6.287284562	-3.970426613	-6.923191122	-6.480600535	-5.890412732	-5.57792831	-4.819273171	-4.96924954	-7.395776691	-4.102928428	-5.514350081	-5.597554349	-5.291093416	-4.020478994	-4.668216402	-5.057946613	-4.963969647	-5.907218266	-5.893360607	-7.181961074	-4.913309143	-6.300510037	-4.489717715	-4.5164778	-4.623704593	-6.238344139	-6.108942233	-8.190557179	-6.26138212	-5.708861088	-7.479922605	-4.885436579	-6.253822208	-6.225209393	-4.742717633	-6.161641376	-5.013435297	-6.499664799	-6.970776047	-4.288454246	-5.022680322	-5.905500641	-7.017057451	-4.8813373	-5.105501312
TG 62:8; [M+NH4]+@10.26	-1.446224641	-6.81429656	-3.07587541	-5.493281589	-2.293510218	-4.469578599	-1.590191355	-2.800598302	-3.255876139	-4.458470683	-2.60691758	-3.757630115	-3.552441834	-1.928232147	-4.06361368	-5.504248145	-4.527601595	-4.482030194	-5.671559565	-5.695195196	-1.735525753	-5.948937839	-6.18225096	-2.754843721	-5.986051572	-3.752354138	-5.391474862	-1.382639115	-4.369197852	-5.944377797	-3.737081379	-6.046815386	-3.993808616	-3.000570505	-4.27266537	-4.08680832	-3.118722344	-8.127329848	-3.925029019	-6.522939644	-4.774833007	-8.056960068	-7.747235676	-2.692014472	-2.655720229	-4.676549229	-2.889568634	-6.160510353	-3.253721464	-5.965372626	-1.073943663	-5.790701432	-0.326535606	-5.584696395	-2.654560427	-2.132365488	-1.743668515	-4.241300724	-2.644366003	-3.225135373	-0.483353567	-2.488387311	-1.902144891	-2.339228891	0.42987617	-3.343962717	-0.881453658	-3.348302289	-2.824380453	-1.646656124	-4.698258459	-3.072069377	-6.429554773	-6.344100361	-5.667145803	-6.304582965	-5.417388315	-7.070333751	-5.307125982	-5.248995762	-3.488349995	-4.706682038	-1.756440174	-6.490646635	-2.744882714	-3.525016669	-2.701098861	-1.672198356	-5.781016428	-5.705444735	-4.316594892	-3.165690864	-3.838446923	-4.444642846	-2.758372158	-4.056999625
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
CE 16:1; [M+NH4]+@10.16
CE 18:0; [M+NH4]+@10.84
CE 18:1; [M+NH4]+@10.51
CE 18:2; [M+NH4]+@10.26
CE 18:3; [M+NH4]+@10.03
CE 19:0; [M+NH4]+@11.00
CE 20:0; [M+NH4]+@11.12
CE 20:1; [M+NH4]+@10.85
CE 20:3; [M+NH4]+@10.30
CE 20:4; [M+NH4]+@10.12
CE 20:5; [M+NH4]+@9.89
CE 22:1; [M+NH4]+@11.23
CE 22:2; [M+NH4]+@10.87
CE 22:4; [M+NH4]+@10.40
CE 22:5; [M+NH4]+@10.22
CE 22:6; [M+NH4]+@10.00
CE 24:1; [M+NH4]+@11.39
DG 30:0; [M+NH4]+@6.55
DG 32:0; [M+NH4]+@7.12
DG 32:1; [M+NH4]+@6.66
DG 32:2; [M+NH4]+@6.22
DG 32:3; [M+NH4]+@5.77
DG 33:0; [M+NH4]+@7.45
DG 33:1; [M+NH4]+@6.89
DG 34:0; [M+NH4]+@7.66
DG 34:2; [M+NH4]+@6.77
DG 34:4; [M+NH4]+@5.86
DG 35:0; [M+NH4]+@7.89
DG 35:1; [M+NH4]+@7.42
DG 35:2; [M+NH4]+@6.99
DG 36:0; [M+NH4]+@8.13
DG 36:1; [M+NH4]+@7.71
DG 36:2; [M+NH4]+@7.27
DG 36:3; [M+NH4]+@6.87
DG 36:4; [M+NH4]+@6.61
DG 36:5; [M+NH4]+@6.09
DG 37:1; [M+NH4]+@8.03
DG 37:2; [M+NH4]+@7.64
DG 37:4; [M+NH4]+@7.03
DG 38:1; [M+NH4]+@8.17
DG 38:2; [M+NH4]+@7.76
DG 38:3; [M+NH4]+@7.46
DG 38:4; [M+NH4]+@7.17
DG 38:5; [M+NH4]+@6.73
DG 38:6; [M+NH4]+@6.52
DG 40:0; [M+NH4]+@8.97
DG 40:2; [M+NH4]+@8.18
DG 40:3; [M+NH4]+@7.91
DG 40:4; [M+NH4]+@7.63
DG 40:5; [M+NH4]+@7.30
DG 40:6; [M+NH4]+@7.17
DG 40:7; [M+NH4]+@6.58
DG 42:7; [M+NH4]+@7.18
lysoPC 16:0; [M+H]+@2.18
lysoPC 17:0; [M+H]+@2.40
lysoPC 18:0; [M+Na]+@1.835
lysoPC 20:0; [M+H]+@2.67
lysoPC 20:2; [M+H]+@1.39
lysoPC 22:1; [M+H]+@2.89
lysoPC 22:2; [M+H]+@2.36
lysoPC 23:0; [M+H]+@4.35
lysoPC 24:0; [M+H]+@4.75
lysoPC 24:1; [M+H]+@3.79
lysoPC 24:4; [M+H]+@1.97
lysoPE 20:0; [M+H]+@2.51
lysoPE 22:1; [M+H]+@2.55
PC 16:1; [M+H]+@1.11
PC 17:1; [M+H]+@1.84
PC 23:0; [M+H]+@2.84
PC 28:0; [M+H]+@4.73
PC 32:0; [M+Na]+@6.4075
PC 32:1; [M+Na]+@5.54
PC 32:3; [M+H]+@4.58
PC 33:1; [M+H]+@7.90
PC 33:3; [M+H]+@5.06
PC 34:1; [M+Na]+@7.78
PC 34:1; [M+Na]+@8.75
PC 34:2; [M+H]+@5.75
PC 34:2; [M+H]+@5.995
PC 34:4; [M+H]+@4.67
PC 34:4; [M+Na]+@5.06
PC 35:0; [M+H]+@7.61
PC 35:2; [M+H]+@7.95
PC 36:1; [M+H]+@7.00
PC 36:2; [M+Na]+@6.435
PC 36:3; [M+H]+@6.12
PC 36:3; [M+H]+@7.06
PC 36:4; [M+H]+@4.15
PC 36:4; [M+H]+@5.835
PC 36:6; [M+H]+@4.62
PC 37:0; [M+H]+@7.44
PC 37:2; [M+H]+@3.96
PC 38:2; [M+Na]+@7.26
PC 38:3; [M+H]+@9.08
PC 38:4; [M+Na]+@6.51
PC 38:6; [M+Na]+@5.43
PC 38:8; [M+H]+@5.09
PC 39:3; [M+H]+@7.01
PC 39:4; [M+H]+@7.49
PC 39:5; [M+H]+@6.62
PC 40:0; [M+H]+@6.93
PC 40:10; [M+H]+@4.93
PC 40:4; [M+H]+@7.82
PC 40:4; [M+Na]+@7.19
PC 40:5; [M+H]+@7.35
PC 40:5; [M+Na]+@6.93
PC 40:6; [M+Na]+@6.3825
PC 40:7; [M+H]+@9.10
PC 40:8; [M+Na]+@5.435
PC 41:5; [M+H]+@7.90
PC 42:11; [M+H]+@4.57
PC 42:2; [M+H]+@8.71
PC 42:3; [M+H]+@8.00
PC 42:7; [M+H]+@6.88
PC 42:9; [M+H]+@6.13
PC 43:6; [M+H]+@7.91
PC 44:12; [M+H]+@4.88
PE 30:0; [M+H]+@5.40
PE 32:2; [M+H]+@4.98
PE 34:0; [M+Na]+@6.695
PE 36:0; [M+H]+@7.3925
PE 36:1; [M+Na]+@6.77
PE 38:1; [M+H]+@7.4725
PE 38:6; [M+Na]+@5.735
PE 40:1; [M+H]+@7.88
PE 40:2; [M+H]+@7.6525
PE 40:3; [M+H]+@6.93
PE 40:4; [M+H]+@6.94
PE 42:1; [M+H]+@8.45
PE 42:2; [M+H]+@7.89
plasmenyl-PC 18:0; [M+Na]+@1.34
plasmenyl-PC 20:0; [M+Na]+@2.02
plasmenyl-PE 32:0; [M+H]+@6.41
plasmenyl-PE 34:0; [M+Na]+@7.035
plasmenyl-PE 34:1; [M+H]+@6.45
plasmenyl-PE 36:1; [M+Na]+@7.075
plasmenyl-PE 36:4; [M+H]+@5.85
plasmenyl-PE 36:5; [M+H]+@4.04
plasmenyl-PE 36:5; [M+H]+@5.50
plasmenyl-PE 38:1; [M+H]+@7.67
plasmenyl-PE 38:4; [M+Na]+@6.875
plasmenyl-PE 38:5; [M+H]+@5.91
plasmenyl-PE 38:6; [M+H]+@5.77
plasmenyl-PE 40:4; [M+Na]+@7.3625
plasmenyl-PE 40:5; [M+H]+@6.63
PS 34:0; [M+Na]+@5.90
PS 34:1; [M+Na]+@4.71
PS 36:1; [M+Na]+@5.42
PS 36:2; [M+Na]+@4.94
PS 38:4; [M+Na]+@4.92
PS 38:7; [M+H]+@4.38
PS 39:6; [M+H]+@4.51
PS 40:6; [M+Na]+@4.78
SM 30:1; [M]+@3.51
SM 31:1; [M]+@4.06
SM 32:1; [M+Na]+@4.405
SM 32:2; [M]+@3.75
SM 34:1; [M+Na]+@5.165
SM 34:2; [M+Na]+@4.64
SM 35:1; [M]+@4.65
SM 35:1; [M+Na]+@8.43
SM 35:2; [M]+@5.07
SM 36:1; [M]+@7.81
SM 37:0; [M]+@8.76
SM 37:1; [M]+@7.16
SM 38:1; [M]+@8.90
SM 39:1; [M]+@7.17
SM 39:1; [M]+@8.93
SM 39:5; [M]+@6.21
SM 40:1; [M]+@10.61
SM 40:1; [M]+@12.25
SM 40:1; [M+Na]+@7.55
SM 40:1; [M+Na]+@8.66
SM 40:2; [M]+@7.04
SM 41:1; [M+Na]+@7.895
SM 41:2; [M]+@7.22
SM 41:4; [M]+@6.18
SM 41:5; [M]+@6.10
SM 42:0; [M+Na]+@9.78
SM 42:1; [M+Na]+@8.16
SM 42:2; [M]+@9.01
SM 42:2; [M+Na]+@7.48
SM 42:4; [M]+@8.58
SM 43:1; [M]+@8.60
SM 43:1; [M+Na]+@8.74
SM 44:1; [M]+@8.94
SM 44:2; [M]+@8.11
TG 40:0; [M+NH4]+@8.83
TG 42:0; [M+NH4]+@9.19
TG 42:1; [M+NH4]+@8.87
TG 44:1; [M+NH4]+@9.21
TG 46:0; [M+NH4]+@9.785
TG 46:1; [M+NH4]+@9.52
TG 46:2; [M+NH4]+@9.25
TG 48:0; [M+NH4]+@10.07
TG 48:1; [M+NH4]+@9.815
TG 48:2; [M+NH4]+@9.58
TG 48:3; [M+NH4]+@9.30
TG 49:0; [M+NH4]+@10.15
TG 49:1; [M+NH4]+@9.96
TG 49:2; [M+NH4]+@9.70
TG 50:0; [M+NH4]+@10.33
TG 50:1; [M+NH4]+@10.11
TG 50:2; [M+NH4]+@9.86
TG 50:3; [M+NH4]+@9.615
TG 50:4; [M+NH4]+@9.38
TG 50:5; [M+NH4]+@9.10
TG 51:1; [M+NH4]+@10.225
TG 51:2; [M+NH4]+@10
TG 51:3; [M+NH4]+@9.78
TG 51:4; [M+NH4]+@9.54
TG 52:0; [M+NH4]+@10.6
TG 52:1; [M+NH4]+@10.325
TG 52:2; [M+NH4]+@10.125
TG 52:3; [M+NH4]+@9.86
TG 52:4; [M+NH4]+@9.67
TG 52:5; [M+NH4]+@9.435
TG 52:6; [M+NH4]+@9.21
TG 53:0; [M+NH4]+@10.685
TG 53:1; [M+NH4]+@10.505
TG 53:2; [M+NH4]+@10.25
TG 53:3; [M+NH4]+@10.045
TG 53:4; [M+NH4]+@9.83
TG 53:5; [M+NH4]+@9.60
TG 54:0; [M+NH4]+@10.81
TG 54:1; [M+NH4]+@10.6
TG 54:2; [M+NH4]+@10.365
TG 54:3; [M+NH4]+@10.15
TG 54:4; [M+NH4]+@9.94
TG 54:5; [M+NH4]+@9.78
TG 54:6; [M+NH4]+@9.54
TG 54:7; [M+NH4]+@9.285
TG 54:8; [M+NH4]+@9.05
TG 55:0; [M+NH4]+@10.95
TG 55:1; [M+NH4]+@10.77
TG 55:2; [M+NH4]+@10.47
TG 55:3; [M+NH4]+@10.31
TG 55:6; [M+NH4]+@9.77
TG 55:7; [M+NH4]+@9.57
TG 56:0; [M+NH4]+@11.035
TG 56:1; [M+NH4]+@10.82
TG 56:2; [M+NH4]+@10.62
TG 56:3; [M+NH4]+@10.4
TG 56:4; [M+NH4]+@10.235
TG 56:5; [M+NH4]+@10.04
TG 56:6; [M+NH4]+@9.83
TG 56:7; [M+NH4]+@9.67
TG 56:8; [M+NH4]+@9.50
TG 56:9; [M+NH4]+@9.19
TG 58:1; [M+NH4]+@11.06
TG 58:10; [M+NH4]+@9.39
TG 58:11; [M+NH4]+@9.185
TG 58:2; [M+NH4]+@10.82
TG 58:3; [M+NH4]+@10.63
TG 58:4; [M+NH4]+@10.44
TG 58:5; [M+NH4]+@10.295
TG 58:6; [M+NH4]+@10.11
TG 58:7; [M+NH4]+@9.935
TG 58:8; [M+NH4]+@9.71
TG 58:9; [M+NH4]+@9.55
TG 60:1; [M+NH4]+@11.26
TG 60:10; [M+NH4]+@9.62
TG 60:11; [M+NH4]+@9.48
TG 60:12; [M+NH4]+@9.245
TG 60:2; [M+NH4]+@11.06
TG 60:3; [M+NH4]+@10.85
TG 60:4; [M+NH4]+@10.67
TG 60:5; [M+NH4]+@10.56
TG 60:6; [M+NH4]+@10.34
TG 60:7; [M+NH4]+@10.16
TG 60:8; [M+NH4]+@10.05
TG 60:9; [M+NH4]+@9.72
TG 62:11; [M+NH4]+@9.60
TG 62:12; [M+NH4]+@9.47
TG 62:13; [M+Na]+@9.38
TG 62:14; [M+NH4]+@9.155
TG 62:8; [M+NH4]+@10.26
METABOLITES_END
#END