metabolite_name	MQ_1	MQ_3	MQ_6	MQ_7	MQ_9	MQ_11	MQ_13	MQ_15	MQ_16	MQ_20	MQ_18	MQ_22	MQ_25	MQ_27	MQ_28	MQ_30	MQ_31	MQ_32	MQ_33	MQ_36	MQ_39	MQ_2	MQ_4	MQ_5	MQ_8	MQ_10	MQ_12	MQ_14	MQ_17	MQ_19	MQ_21	MQ_23	MQ_24	MQ_26	MQ_29	MQ_34	MQ_35	MQ_37	MQ_38	MQ_40
1,1,1,3,5,5,5-Heptamethyltrisiloxane	1.65843744	1.882240067	2.254340272	2.598886236	2.14513929	2.014644395	2.351264106	2.150413893	2.227395371	2.339352043	1.569373736	2.635334614	2.638627964	2.752305496	2.712440336	2.613949419	2.607044836	2.68731112	2.517036075	2.815420933	2.584469601	2.663751058	2.043212647	1.756701253	2.113409028	2.467601957	2.155314046	2.133193315	2.296460026	2.209775701	2.802850519	2.690236293	2.586604257	2.559570107	2.660295274	2.749470199	2.405131337	2.656588052	2.613469224	2.52678161
1,1,1-trimethyl-N-{(2E)-1-methyl-3-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-1,3-dihydro-2H-imidazol-2-ylidene}silanamine	11.60996995	11.71070127	11.89443654	11.98126899	11.80176679	11.59519458	11.63522759	11.66635833	11.55564118	11.43431694	12.49192058	12.96924108	12.98291914	12.51502861	12.73154874	12.83772319	12.85360869	12.65626063	12.71515752	12.72265816	12.55668305	12.22258483	11.92541075	11.859943	11.71040504	12.03017483	11.45131248	11.60806157	11.47222743	11.45316944	12.97293291	12.41301048	12.71786336	12.79723839	12.96705836	12.67082096	12.60888907	12.51880993	12.74935476	12.472393
1H-Indole, 7-methyl-1-trimethylsilyl-	2.889770968	3.721448523	3.973915267	3.390587203	3.671881782	3.352689393	4.168875191	3.266165054	2.966366115	3.319982107	3.950070502	4.164041039	4.220798107	-0.520474641	3.963598346	4.227800153	4.508469116	3.976190023	4.398661732	4.062432861	4.049597849	3.88423539	3.868182519	3.498606488	3.006903178	2.868043341	1.678249835	2.895019786	3.669467937	3.455078492	4.220263343	3.360003953	3.83242368	4.085652132	4.389495646	3.996938977	4.42427625	4.193927757	4.515011605	4.14139518
1-Methoxypropan-2-yloxytrimethylsilane	3.557521655	3.414446048	3.409909037	3.194659158	3.239981027	3.398852431	3.602067546	3.544559104	3.540413752	3.311561125	3.559488486	2.9934453	2.920822586	2.264222976	2.944059108	2.749215317	2.991545837	2.791205747	3.140520034	2.94230521	2.870879535	3.683596514	3.217354584	3.197812599	1.534558135	2.758930856	3.060227445	3.144058164	2.205573865	1.539442795	2.879594204	1.523555963	1.903951205	2.462386608	3.205224956	2.354161029	-9.070753443	1.957965853	3.019611455	2.526241414
2-Aminophenol, N,O-di(trimethylsilyl)-	4.264856754	3.993483863	4.177616651	4.127651275	3.873870698	3.626987195	3.701630798	3.424063168	3.334427149	3.240609874	3.151356024	4.056531955	3.968498895	3.20264043	3.729190419	3.563158379	3.744296565	3.605450292	3.554931511	3.264097058	3.221392538	4.69525893	4.139426112	3.936496275	3.63046628	3.738361314	3.096532604	3.315368363	3.294720375	3.212801399	4.117533118	3.761949326	3.794033198	3.847423346	3.834668988	3.127965856	3.396033807	3.141070951	3.498232988	3.158729222
2-Aminophenol, O-tert.butyldimethylsilyl-	6.945076084	5.566547553	6.240971042	7.755773444	7.380944501	7.382493857	7.561706775	7.568203855	7.70162539	7.60616356	7.705498809	7.628491161	7.722139439	8.251102362	8.009596633	7.966908272	7.864629604	8.134107049	7.893221087	8.289982354	8.092370742	6.52703843	5.872923475	7.011366231	7.563865789	8.061536529	7.697675059	7.713597094	7.408856695	7.274217153	7.443884421	7.849421494	7.689156568	7.807140619	7.971484064	8.139511261	7.548514147	7.927068847	7.951390449	7.955238691
2-Butenedioic acid (E)-, bis(trimethylsilyl) ester	3.652917659	3.903995646	4.239098255	3.41362286	3.840755073	4.09355918	4.515261511	3.958754756	3.589071412	3.642971532	3.047293293	3.502903117	3.211823266	3.256145342	3.485745397	3.202642797	2.922228578	3.674639321	2.624364249	3.772333849	2.82633028	4.293975803	3.865981199	3.49862451	3.184790255	2.954284604	3.356402978	3.431595914	3.419875694	3.148216107	3.492107418	2.655507904	3.03653792	3.825396115	3.038177515	3.308153402	3.103689938	3.082940668	3.318831196	2.688479428
2-Pentamethyldisilanyloxybutane	3.584476838	3.227335129	3.998313583	4.259874731	3.708499946	3.812938119	4.031316847	3.945939595	4.145437457	4.167616151	3.942274342	3.746079571	3.748045749	4.071708356	3.868673507	4.132805466	4.111925446	4.276752252	3.930118146	4.148492617	3.990769392	3.785634626	3.51822978	3.253213629	3.724809809	4.094761115	3.871016514	4.435355561	4.018038933	4.150721519	3.826888009	3.850097402	4.062761981	4.165793671	4.034773979	4.034317839	3.698308148	4.03957544	4.244164231	3.927251759
4,7-Bis(trimethylsiloxy)-2,4,7,9-tetramethyl-5-decyne	1.981166785	1.764698266	1.695781969	2.157114521	1.340842709	1.921585087	1.437852991	1.846790661	1.842449908	1.589505811	2.31718415	2.223578329	1.909060449	2.61587473	2.762074804	2.406562642	2.051950809	2.075605921	2.51374481	2.354593696	0.423180601	2.140736553	2.042384801	1.809470428	1.593713956	1.983709986	2.147236471	2.034720894	2.006877348	1.982134298	2.408688853	2.425189418	2.554256144	2.425198462	2.609648833	1.817715425	1.785172068	1.719061275	0.251531241	0.244658963
à-D-Glucopyranoside, methyl 2-(acetylamino)-2-deoxy-3-O-(trimethylsilyl)-, cyclic methylboronate	2.012483197	1.676825264	2.300277726	2.416730156	2.216830669	1.989404922	2.402736655	2.157495405	2.206639531	2.28893311	1.527079337	2.627209704	2.556213606	2.713697384	2.618395725	2.527264705	2.502210365	2.589717327	2.463773882	2.850345429	2.522842633	2.460788648	1.985149138	1.79061992	1.955609599	2.514123862	2.16235363	2.36096459	2.221938397	2.181943795	2.743614529	2.689396516	2.524545531	2.610730019	2.595967159	2.568696724	2.182026967	2.624380399	2.653143157	2.662429604
Aminomalonic acid, tris(trimethylsilyl)-	1.74610665	3.562741841	3.288922359	2.403493554	1.941005401	2.964632964	2.814707287	3.825395416	3.913034739	4.268177314	2.522447931	2.337408984	2.533695636	3.585061833	3.212330096	3.067005367	2.833296802	3.583706744	2.694817347	4.285685742	3.524355858	1.727165183	2.478393303	3.499522303	1.829991294	2.464984222	3.52823302	4.465718154	2.438580948	3.73671771	2.757528238	2.711154977	3.087059845	4.248416256	3.100076477	3.144994393	1.421444208	3.092811627	4.420511239	3.783004442
Bis(trimethylsilyl) sulfite	2.822218963	2.596390679	2.800235678	3.045579433	3.268916974	2.94497497	3.291433158	3.070440288	3.013508625	2.901043988	2.088438051	2.758354552	2.939316496	2.411558842	2.77798856	3.919142468	2.852020646	2.80776958	2.441180038	2.717773078	4.040665431	3.157334492	2.897217659	2.848633945	3.010576725	3.164995013	2.695677091	3.11995593	3.257297703	3.222914538	2.793470859	3.221572291	3.007623823	3.862259297	3.128332676	4.282222651	3.711741698	4.38581	2.649175314	3.86826651
Butanedioic acid, [(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester	3.958002327	4.013082267	4.208155422	3.8292736	4.339235915	4.877697664	4.739387023	4.84487106	4.358378609	3.923605102	4.213241703	3.956156595	3.874126181	4.283777711	4.737311714	3.891613879	3.763071016	4.639317363	3.611534098	5.166169061	3.948173934	4.54515035	4.327009101	3.610585663	3.421186355	3.271912942	3.892999192	3.942117772	3.521312582	3.467598167	4.060927537	2.99754099	3.858809224	4.861905965	4.141642101	3.98116674	3.662369256	4.090440836	3.582180392	3.630602032
Butanedioic acid, bis(trimethylsilyl) ester	4.495332565	4.855625659	6.09523826	5.496484729	3.36027725	6.419027603	6.772377466	6.706796452	5.752001995	4.56978894	5.924229262	6.892920248	5.961478173	6.03654178	6.718099103	3.932280386	6.326241157	6.69356474	4.596350251	6.929847044	6.04596246	5.778180635	4.109234498	4.602679101	-8.799949212	2.169695928	4.263994737	3.595410834	1.903484772	-9.218953725	3.453594392	-8.602799265	2.642816592	2.079308471	5.021816574	4.007237455	-9.070753443	2.607913107	4.792255294	5.304690262
d-Mannose, 2,3,4,5,6-pentakis-O-trimethylsilyl-, o-methyloxyme, 1Z-	3.082562615	0.265890403	1.742748136	2.154716208	3.813421985	1.516317865	4.101898843	4.245286358	3.796545495	-9.050625084	1.972352283	-8.462167732	3.108299452	4.77651646	4.887421296	4.708080025	4.576886086	4.82566932	4.397592593	-8.436323809	4.719170832	3.889928774	3.814828498	2.41432325	3.789557518	4.400741535	4.075760029	4.345230245	3.381926766	3.33567415	-8.472281721	4.392313707	4.531999287	4.78831408	4.887351753	4.661255552	4.116381901	4.591831691	4.802896575	4.620615578
Ethanedioic acid, bis(trimethylsilyl) ester	1.662099731	1.645667612	2.301861887	1.914512827	2.245520238	1.705043018	2.401642174	1.837024208	1.929302614	1.901401602	2.63993904	1.817663726	2.062455841	1.251842094	1.905709638	1.795907081	2.241744873	1.816837263	2.155815048	1.907490346	2.17416676	1.99454136	1.944372086	1.499948658	1.639800139	1.654631269	1.599189887	1.608022738	2.082975233	2.605604956	1.87783575	1.857736871	1.59678379	1.949850507	2.065059309	1.880717637	2.450553866	2.754085287	2.588942895	2.672909896
Ethanimidic acid, N-trimethylsilyl-, trimethylsilyl ester	0.954162213	1.41373599	1.406259672	-8.614264775	1.085624914	-9.113437612	-8.990683496	1.011386949	1.065514025	-9.050625084	0.269868096	0.682823927	0.583541998	-0.102996841	-8.493563195	0.783713115	-8.652137021	-8.521556571	-8.685463597	0.693629927	0.2854719	1.227080839	1.116419985	1.023663993	0.518594106	0.571371017	-8.90518364	-8.916388498	0.843430463	1.078454098	-8.472281721	0.352082831	0.553014244	0.547395477	0.370400014	0.205618871	0.230270939	-8.709256268	0.776139805	0.42143237
Ethylbis(trimethylsilyl)amine	2.702398497	2.346018384	2.830123845	2.988806339	2.788511845	2.618375387	2.691136291	2.621841282	2.688741079	2.649736526	2.377628894	2.743146475	2.774222841	2.704925169	2.791582336	2.701313907	2.730096337	2.765845315	2.631894919	2.877524424	2.709799169	3.081836171	2.603805001	2.420988788	2.562154342	3.047523756	2.613952095	2.674612716	2.622324144	2.530494493	2.673463488	2.692792511	2.650110792	2.696810746	2.847778999	2.68942503	2.502448915	2.540200603	2.683778438	2.568290698
Glycerol, tris(trimethylsilyl) ether	5.054571746	5.802234565	5.688989929	5.434040041	6.467573536	5.833189757	6.159279322	6.266040557	6.096832775	6.02903098	5.932974507	5.415525093	5.757266266	5.555051733	5.807717269	6.460289266	5.636746298	5.511299631	4.865419892	6.40046808	6.180304493	6.117690256	5.996618424	5.928185692	4.880278192	5.447675617	5.761802029	5.508113316	4.995397002	4.693084513	5.547450331	3.930428446	5.53636392	5.760402661	4.740783533	5.758549009	4.307422642	4.394683452	6.218754282	5.253015476
Glycine, N,N-bis(trimethylsilyl)-, trimethylsilyl ester	8.402709411	9.359823288	8.95129692	8.452741798	8.626627503	9.474818156	9.092574258	10.00108562	9.924216213	10.04900578	9.099712331	8.546886036	9.006295282	9.327660071	9.676626852	8.978941891	9.07325561	9.61884464	9.030646953	10.37864484	9.920966542	8.508584029	8.643198483	9.752631991	8.508537303	9.278658152	9.807544099	9.8552656	8.959135924	9.585475235	8.635743456	8.818435105	8.537103813	9.957479044	9.415040208	9.669031072	7.998605535	9.334795955	10.28114764	10.08889201
Glycolic acid 2TMS	0.763893779	0.557934518	0.632638685	0.075826318	0.229649853	0.132057342	0.571992844	0.832611785	0.597515302	0.522084242	0.624994396	0.070268112	0.00245091	-0.088431845	0.551047593	-0.117214259	0.329434407	0.12626107	0.133490618	-0.06104047	0.313556545	0.406285223	-0.004847444	0.499723639	-0.052072028	0.23341508	0.071511705	0.319410725	0.178341016	0.247888842	0.114778318	-0.509488235	-0.333110634	-0.501477941	0.059072091	-0.248380182	-0.66836441	-0.36521075	-0.286745266	-0.41517179
Hexadecanoic acid, trimethylsilyl ester	5.873965413	6.53543204	6.222289608	5.967043725	6.139863809	6.052369936	6.169540147	6.417449643	5.565601865	5.353375755	5.985968121	6.53725346	6.607995235	6.854441711	6.850414408	6.946573545	6.46879593	6.624851493	6.353614743	6.840245183	6.312222817	6.38288004	6.32432863	6.40421116	5.674577303	5.909598553	6.19271474	5.968864205	4.946036197	5.168579641	6.286687251	6.062535945	6.441511283	6.577679636	6.380424019	6.46660541	5.722740649	5.986296	6.361359916	4.884524216
l-Alanine, N-trimethylsilyl-, trimethylsilyl ester	10.10740353	9.134404239	9.648922771	9.305048677	9.246159533	9.263931063	9.712363491	9.498268963	9.417585229	9.574913036	9.419606861	9.109333178	9.150995484	8.505882117	9.53556798	8.666448046	9.212453907	9.448758682	9.22734378	8.962900546	9.783411933	9.306449698	8.461326071	9.124804636	8.899198413	8.995928244	9.036731421	9.54233765	8.839432585	9.234690496	9.150282298	8.213579619	7.947165338	8.573804425	9.587632883	8.7123922	7.778088399	8.471685471	9.241466268	9.124757152
L-Aspartic acid, N-trimethylsilyl-, bistrimethylsilyl ester	1.854270675	1.279389274	1.708138849	1.302360437	-8.931425311	1.493670007	2.017743049	1.760182616	1.831222791	1.590100154	1.77586484	1.398055766	1.359565425	0.772979047	-8.493563195	1.004472558	1.378727255	-8.521556571	1.292562446	1.456823016	1.036826292	1.586371884	1.08013518	1.23318708	-8.799949212	0.8595153	1.376391211	1.449807486	0.933460466	-9.218953725	1.348181159	-8.602799265	-8.647267756	0.85562768	1.615332559	-8.5564872	-9.070753443	-8.709256268	1.3929495	1.00537698
L-Isoleucine, N-(trimethylsilyl)-, trimethylsilyl ester	3.308812702	3.563201624	4.649986192	3.817037131	4.198669393	3.847833383	4.211393054	2.853786788	3.366100309	2.811895312	4.231747594	4.375093819	4.288427694	1.642843302	3.337021033	3.331671707	4.260906919	3.849373289	3.045745153	3.895370559	2.776882151	3.412041831	4.182604985	2.824338519	2.676393899	2.6642024	0.534347367	1.387309527	3.657193883	4.852256335	3.812340528	3.943559457	3.047026837	4.591589092	3.155698507	2.19496517	3.849613841	4.513299861	3.42663805	3.916080687
L-Proline, 1-(trimethylsilyl)-, trimethylsilyl ester	6.503228956	5.455744204	7.219941822	6.594283842	6.292518145	6.206834773	6.793778538	5.216032261	5.902251939	5.406323658	6.190489565	6.757602539	6.967091523	4.648783305	6.150854352	6.26898459	6.913357332	6.633245122	6.235066258	5.526330189	6.474857935	5.441087588	5.703272437	4.976118551	5.034767023	4.911859199	3.290266136	4.142323523	5.55420386	5.643678444	6.104152889	5.449437329	5.49905163	6.065511443	6.477633871	4.012937867	5.482735172	5.982878512	4.964510822	5.318092534
L-Proline, 1-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester, trans-	3.764388498	4.941426032	4.636517889	4.412047468	3.442493121	2.136767344	4.223882724	1.837050371	1.836947609	2.629907255	2.703151836	5.08319012	4.368800101	-8.418396753	4.710691946	3.505527916	3.624823622	2.81370598	3.53156031	3.698466422	3.053928801	2.625829632	3.288791999	5.110572615	0.53944947	-8.401609785	0.029449398	1.993751502	1.35883678	0.199987894	3.412521494	2.124576076	2.921451144	4.158820695	2.074606814	1.975296426	-9.070753443	1.011774382	2.364240425	1.800833988
L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester	6.91237238	8.911118994	8.094731492	6.97464598	7.448107532	7.550246048	7.558452497	7.386410095	7.236653892	7.108027406	7.348659918	8.009831773	8.113132201	6.189731294	7.512009935	7.802898758	7.846538198	6.95987035	7.283280889	7.993838385	6.772204733	7.619550699	8.221210045	8.36369456	6.849072571	5.758336379	4.831745788	5.144127544	6.110867806	6.307788028	7.535545346	7.444035963	6.51993159	7.829462599	7.499602574	6.553321934	6.920430351	7.279938101	8.172622059	6.452060883
L-Valine, N-(trimethylsilyl)-, trimethylsilyl ester	6.213921467	5.848384058	6.739875465	6.426126374	6.564660158	6.214111826	6.589269145	5.825207227	6.240479063	5.91212773	6.144655586	6.132916116	6.171854675	4.713417372	5.961350863	5.46822916	6.149352516	6.232166033	5.473503322	5.8947539	5.508367748	5.819286366	6.023317349	5.509256547	6.229016727	5.928789948	4.741128778	5.177487087	6.145993474	7.105343876	5.535960651	6.329984875	4.817260272	6.246026122	5.391101681	4.990434108	6.076762282	6.636200246	5.399854505	6.501296411
N,N-Diethyl-1,1,1-trimethylsilylamine	1.218402196	2.420718734	2.52043244	1.643593013	1.995348254	1.54419557	1.322250348	1.312118316	1.150692096	0.853054649	1.620017696	1.870759875	1.806070228	0.260964449	0.84964352	1.109699344	1.31604966	0.720970828	0.982525517	0.722343231	0.394011866	2.175203681	2.592384925	2.131728908	1.081072718	1.230355592	0.626422751	0.869346909	1.362405845	1.3082862	2.008513325	0.393616277	1.3945725	1.62021976	1.557843561	0.699357091	1.453900711	0.440357762	0.889228654	0.348963555
N,O,O-Tris(trimethylsilyl)-L-threonine	3.160980739	3.356331115	3.781421499	2.703647117	2.176911614	1.762015861	2.406798243	0.706346843	1.316334674	1.062116567	1.535988167	3.229476576	3.385602241	0.337324609	2.497721042	2.043907229	3.025627677	2.64829118	2.602439284	1.325686762	2.339682466	2.781462275	2.207740717	2.414696474	1.543824501	0.537910178	-1.013886768	0.545446181	0.282592404	0.895081574	3.152513044	2.410138606	1.04731535	2.191062507	3.372448195	1.21435623	0.949335481	1.755455338	2.332220143	1.941335256
N,O-Bis-(trimethylsilyl)leucine	5.145905011	5.007052609	5.998287312	5.200669067	5.348149355	5.119260878	5.411382184	4.261828841	4.679656932	4.11778571	5.372461711	5.664858166	5.587747008	3.194001472	5.030158678	4.589645914	5.604957228	5.250242442	4.774907426	-8.436323809	4.536230292	5.006789613	5.339846092	4.209430134	4.534288891	4.1756366	2.37897267	3.352535725	5.097128404	6.468361511	5.095846331	5.77816694	4.223148398	5.763147228	4.876023287	3.634087817	5.6167156	6.195182814	4.696653843	5.697249721
Octadecanoic-Acid	3.567989381	4.538761705	4.299760121	3.997308041	4.062312045	3.818970224	3.997928418	3.695871294	3.362871162	3.05491911	3.448859186	4.293540451	4.425502888	5.071561146	4.763976862	5.076551835	4.468685231	3.360903326	4.473234661	4.911862585	4.414723614	4.637733206	4.587828916	4.330699248	3.876568447	3.878189795	3.651122742	3.505516965	2.807361421	3.113011247	4.474661165	3.812240278	4.654403895	4.685001185	-8.457520158	3.256319323	2.744391406	4.142501136	4.657475576	4.274010712
Oleic acid, trimethylsilyl ester	1.960124066	2.901487103	2.820800147	2.9138981	2.940725118	2.79458124	3.057536446	3.0078484	-9.013884755	1.865354597	2.754639003	-8.462167732	3.542022998	4.094288292	3.672997142	3.861870465	2.995806229	-8.521556571	1.124206534	3.716628945	0.782684825	3.445289744	3.485722971	2.736252628	1.964966546	2.688423679	2.924965344	-8.916388498	1.548964781	-9.218953725	2.002429594	-8.602799265	3.500054758	3.813519254	2.660243236	2.224300705	-9.070753443	-8.709256268	3.130337701	1.493248836
Oxalic acid	8.071542075	7.233627057	7.581053018	8.224692715	7.644867984	7.784850085	7.840954638	7.871454945	7.823261482	7.673306665	8.10007253	7.585708847	7.444302519	7.779065455	7.724371981	7.683364585	7.516445165	7.647199246	7.410732207	7.567316342	7.461103953	8.083095235	7.489449178	7.397406549	7.844209845	8.13911274	7.822652843	8.095585479	7.693731324	7.583416391	7.700884471	7.598300783	7.556180179	7.716860333	7.642964461	7.544387124	6.966450524	7.403701424	7.462651359	7.242522264
Phosphate 3TMS	11.21940019	11.18295812	11.35951236	11.43262929	11.33386266	11.05938938	11.27912508	11.09593448	11.1296002	11.16852893	11.38641611	11.9400814	11.86111802	11.23548444	11.52146779	11.84771831	11.76190496	11.59128187	11.79010466	11.68076731	11.67094337	11.60352148	11.33355934	11.34733833	11.15950797	11.43803295	11.1170696	11.20111166	11.06458114	11.15290031	11.93915403	11.50682027	11.52993377	11.77133518	11.85466206	11.53643782	11.51070473	11.72262979	11.60493892	11.47830696
Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester	0.548697205	0.580586559	0.931424966	0.644949899	-0.192188078	1.21801119	0.516239818	1.291219912	1.256746346	-0.269055593	1.124007856	0.713973574	0.351746651	0.751250021	1.304400252	-0.90664751	1.154613256	1.051270299	1.21090226	1.260063289	0.768565136	1.569089441	0.115113838	0.152643758	-8.799949212	-0.616989284	0.036884521	0.440188184	-1.35786431	-1.463621053	-0.282661203	-8.602799265	-8.647267756	-8.769994453	1.504898568	0.045235259	-9.070753443	-1.153072188	0.5519944	0.33938606
Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester	12.27472919	11.98064744	12.4267625	11.38266004	12.32183126	12.25556548	10.67807149	12.36244417	12.33435402	12.21307602	13.10091253	12.81827668	12.85895475	12.21367478	12.77732153	12.5488731	12.84253108	12.72405284	12.91842877	12.91619311	12.86146104	11.64424983	12.36865613	12.3328515	11.48129811	12.23215255	12.09206451	12.17384593	11.47279523	11.09655672	12.55561366	11.53112076	11.84917705	12.36965472	12.97200209	12.56000008	9.031477221	12.00703668	12.94093911	12.55361973
Propanoic acid, 2-methoxyimino-, trimethylsilyl ester	5.460343552	5.402861502	4.403603819	3.912248629	0.487684702	4.73155417	3.770606155	4.591255557	4.728185976	4.146668141	4.836941662	3.901535911	3.594857874	4.096035143	4.281563744	2.561328368	4.070661773	4.028655281	4.297491813	4.383009837	4.590197644	5.355939658	3.833364624	3.335351467	0.300967028	0.678162666	4.331213784	4.436070734	-0.190122538	-1.512023345	0.201484386	-2.193115988	-3.084291793	-1.806730058	4.00513925	0.0223008	-8.072749076	-2.214987792	4.033312796	0.933416138
Propanoic acid, 2-oxo-3-trimethylsilyl-, trimethylsilyl ester	1.242463673	1.633250428	1.408665621	1.176169125	1.142545487	1.131965773	1.538012546	1.455210511	1.494788803	1.260096666	0.714499654	0.872527004	0.695374249	0.458534387	1.009472602	0.606917759	0.6442649	0.588449011	0.668928674	0.836740486	0.767778808	1.548794649	1.276949289	1.224692353	0.237833598	0.796762655	0.959149019	1.112476801	0.738832876	0.507297744	0.928039078	-0.035983304	0.165012386	0.503220638	0.755901956	0.420586303	-0.839063464	0.097786276	0.909665887	0.505610926
Serine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester	1.819906399	2.715430134	3.037593179	0.46773734	-0.37089542	-9.113437612	-0.28800636	-9.019902172	-9.013884755	-9.050625084	-0.919917451	2.155551046	2.361788667	-8.418396753	0.548321273	0.36875917	1.806589912	0.68856017	1.037118801	-8.436323809	0.479275669	1.551703115	1.315159929	2.399908853	-8.799949212	-8.401609785	-8.90518364	-8.916388498	-9.136874557	-9.218953725	2.755722277	0.690467512	-0.349099552	0.813040375	2.219405924	-8.5564872	-0.189460628	-0.61882392	1.135231133	-0.3567347
Silanamine, 1,1,1-trimethyl-N-(1-methyl-2-phenylethyl)-N-(trimethylsilyl)-, (ñ)-	2.088853431	1.999908815	2.923066802	2.041539562	1.131961364	1.978863656	2.586236813	1.839641025	2.694908547	2.720300187	3.618253081	2.479793205	2.957063077	1.236417128	3.379593068	3.761350275	2.628062985	3.81518619	2.592559446	2.899718648	3.640504266	0.691367459	0.729279573	1.682567734	0.581560602	0.125224736	0.349371256	1.445550827	0.299422733	0.840973115	2.084453868	0.961255016	0.670565305	1.557912723	0.93916406	0.505763188	0.764995436	0.913448919	0.811550431	2.457419854
Tetrasiloxane, decamethyl-	2.118179167	1.4847509	2.166789916	2.342288622	2.310887121	2.158985192	2.415301125	2.049048418	2.456146694	2.210191561	2.56520686	1.973439659	1.808023637	2.10358432	2.034857035	1.74040855	1.814981283	1.97989015	1.756709547	2.507725936	2.021328159	2.165474364	2.097751349	1.861889929	1.67062593	2.510617391	2.342657816	2.709494251	2.229191719	2.354995586	2.13921421	1.979383333	1.620617267	1.979006365	1.894118776	1.911364972	1.717970282	2.033439674	2.048343876	2.045165297
Tris(trimethylsilyl)carbamate	4.601044283	4.699343151	5.160739368	4.775005024	5.075166851	5.041089065	5.291240705	5.147223922	5.241210333	5.237971583	5.631080889	4.662717246	4.763962801	4.039899127	4.507920188	4.494867718	4.693556309	4.49667794	4.610124356	4.603263822	4.536150794	4.8754182	5.024105106	4.735661632	4.597556335	4.978427985	4.717768908	4.97428341	5.260569135	5.539879606	4.658851006	4.079958765	4.371279204	4.606541276	4.770044051	4.534654463	4.689408101	4.57341611	4.833357996	4.645342785
Tris(trimethylsilyl)hydroxylamine	1.708020322	1.325068957	2.184806013	2.396039501	2.447688047	2.426259517	2.688269107	2.899182754	3.063389031	3.091542566	3.180670383	2.104650949	2.456744735	2.451576899	2.653230765	2.491302916	2.639784825	2.753612034	2.764613053	2.946822004	2.951267241	2.019335355	1.680545864	1.606906825	2.165241858	2.916006388	2.88153651	2.771857838	2.950137623	3.054951167	2.181685058	2.266786115	2.099031504	2.271941592	2.814643409	2.900524443	2.410089032	2.826343665	2.766717881	2.858145099
Tris(trimethylsilyl)hydroxylamine 1	3.801990231	3.332078091	4.161639854	4.396066531	4.602688945	4.596398764	4.743271301	4.948038678	5.147546395	5.180240856	5.163688102	4.040117937	4.335027201	4.412686782	4.642030016	4.394303431	4.554358989	4.675741213	4.661890532	4.808593154	4.853489272	4.103193483	3.737845585	3.629163952	4.252751561	5.101735028	4.867463699	4.844730681	5.024760756	5.064536141	3.984861347	4.115577429	4.044316389	4.206068769	4.688146706	4.818752458	4.430407422	4.782695016	4.721178984	4.79057931
Urea 2TMS	8.403114584	7.04213974	7.996197528	7.077116273	8.110581016	6.926461464	7.318606128	6.936973036	7.097068656	7.298083366	7.144283362	6.988196293	7.491610415	5.791520912	6.99498091	6.602035896	7.654971408	6.993561412	7.448778005	6.793705699	7.394488815	7.809765817	7.543124361	6.893792541	7.68568917	6.598319244	6.770895146	6.282455656	7.517941138	8.434499326	6.307751306	8.010855183	6.882532419	7.373231837	7.193576219	6.884339105	8.364185098	8.594790923	7.610604059	8.1207892
Urea 3TMS	4.476095644	5.689075295	6.093341401	5.439600977	5.685950429	3.924862873	5.21291916	3.568375612	3.476065854	4.14086877	3.815592563	5.654549346	5.769090427	2.932449316	4.815490996	4.535714109	5.816146071	4.429389791	5.398171825	4.131906002	4.870268881	6.051033477	5.851250041	4.832923465	5.020557318	2.482262679	2.469212344	1.626894372	4.817104514	5.632120681	5.116244684	5.811298282	5.091663133	5.209736089	5.331837501	4.287165576	5.839329261	6.072692936	5.47002688	5.778523754

metabolite_name	quantified m/z	rtimes
1,1,1,3,5,5,5-Heptamethyltrisiloxane	207	651
1,1,1-trimethyl-N-{(2E)-1-methyl-3-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-1,3-dihydro-2H-imidazol-2-ylidene}silanamine	115	810
1H-Indole, 7-methyl-1-trimethylsilyl-	188	923
1-Methoxypropan-2-yloxytrimethylsilane	117	431
2-Aminophenol, N,O-di(trimethylsilyl)-	150	706
2-Aminophenol, O-tert.butyldimethylsilyl-	135	811
2-Butenedioic acid (E)-, bis(trimethylsilyl) ester	245	635
2-Pentamethyldisilanyloxybutane	84	744
4,7-Bis(trimethylsiloxy)-2,4,7,9-tetramethyl-5-decyne	313	838
à-D-Glucopyranoside, methyl 2-(acetylamino)-2-deoxy-3-O-(trimethylsilyl)-, cyclic methylboronate	221	506
Aminomalonic acid, tris(trimethylsilyl)-	218	744
Bis(trimethylsilyl) sulfite	147	383
Butanedioic acid, [(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester	233	764
Butanedioic acid, bis(trimethylsilyl) ester	147	598
d-Mannose, 2,3,4,5,6-pentakis-O-trimethylsilyl-, o-methyloxyme, 1Z-	160	1048
Ethanedioic acid, bis(trimethylsilyl) ester	245	421
Ethanimidic acid, N-trimethylsilyl-, trimethylsilyl ester	188	450
Ethylbis(trimethylsilyl)amine	174	735
Glycerol, tris(trimethylsilyl) ether	205	584
Glycine, N,N-bis(trimethylsilyl)-, trimethylsilyl ester	174	606
Glycolic acid 2TMS	177	356
Hexadecanoic acid, trimethylsilyl ester	117	1124
l-Alanine, N-trimethylsilyl-, trimethylsilyl ester	116	390
L-Aspartic acid, N-trimethylsilyl-, bistrimethylsilyl ester	100	396
L-Isoleucine, N-(trimethylsilyl)-, trimethylsilyl ester	158	594
L-Proline, 1-(trimethylsilyl)-, trimethylsilyl ester	142	590
L-Proline, 1-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester, trans-	230	797
L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester	156	770
L-Valine, N-(trimethylsilyl)-, trimethylsilyl ester	144	515
N,N-Diethyl-1,1,1-trimethylsilylamine	130	852
N,O,O-Tris(trimethylsilyl)-L-threonine	219	686
N,O-Bis-(trimethylsilyl)leucine	158	573
Octadecanoic-Acid	117	1227
Oleic acid, trimethylsilyl ester	129	1213
Oxalic acid	220	421
Phosphate 3TMS	299	568
Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester	189	631
Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester	117	347
Propanoic acid, 2-methoxyimino-, trimethylsilyl ester	174	320
Propanoic acid, 2-oxo-3-trimethylsilyl-, trimethylsilyl ester	216	429
Serine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester	204	660
Silanamine, 1,1,1-trimethyl-N-(1-methyl-2-phenylethyl)-N-(trimethylsilyl)-, (ñ)-	188	810
Tetrasiloxane, decamethyl-	207	364
Tris(trimethylsilyl)carbamate	174	337
Tris(trimethylsilyl)hydroxylamine	234	358
Tris(trimethylsilyl)hydroxylamine 1	249	410
Urea 2TMS	189	525
Urea 3TMS	261	485