Feature_ID	m/z value	"Retention
 time (s)"	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
Propanoic acid, 2-methoxyimino-, trimethylsilyl ester	174	320	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
Analyte 41	157	325	0.02273742	-0.430831967	0.005201604	0.496065147	-0.298271681	-0.155024886	0.673363407	0.010021743	0.12775169	-0.029038407	0.401616464	-0.183196421	-0.170918388	-0.670922574	-0.411098717	-0.330243594	-0.063817178	-0.194058989	-0.061526676	-0.074549945	-0.044474499	0.048846866	-0.181409434	-0.344725186	-0.527314767	0.121973413	0.234070915	-0.134047217	-0.15263743	0.133558895	-8.472281721	-0.108635761	-0.587523694	-0.643695445	-0.206351608	-0.074774986	-0.420441904	-0.165272587	0.032161649	-0.191563946
Analyte 42	248	326	1.832240581	1.495602549	1.839795197	2.481937602	1.732046471	1.777200999	2.2779586	1.952460598	2.098446795	1.98497504	1.883573521	1.882684273	1.812177942	1.931448784	1.86300174	1.781774743	1.657675989	1.853637932	1.697289784	2.021262936	1.678059149	2.225660497	1.761292132	1.478621665	1.903806893	2.307910875	2.279742435	2.177729292	1.937723387	1.937338465	2.089168883	2.043202563	1.78447576	1.688322871	1.814053098	1.79529111	1.289163547	1.796835005	1.568853794	1.597001374
Analyte 43	151	329	0.937541664	0.056531227	0.452414665	0.843017235	0.235550136	0.308737641	0.650998358	0.513253403	0.92904761	0.521659877	0.866103487	0.47983603	0.429774094	-8.418396753	0.513609746	0.26646393	0.348562861	0.320337727	0.387998516	0.587248177	0.223973265	0.995952559	0.281099195	0.192664561	0.408842528	0.868146438	1.145604826	0.703807608	0.581816254	0.757495825	0.547118369	0.521284099	0.191102813	0.145013718	-8.457520158	-8.5564872	-0.024355353	0.242159656	0.209146943	0.128557593
Tris(trimethylsilyl)carbamate	174	337	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
Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester	117	347	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
Glycolic acid 2TMS	177	356	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
Tris(trimethylsilyl)hydroxylamine	234	358	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
Tetrasiloxane, decamethyl-	207	364	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
Bis(trimethylsilyl) sulfite	147	383	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
l-Alanine, N-trimethylsilyl-, trimethylsilyl ester	116	390	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	100	396	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
Tris(trimethylsilyl)hydroxylamine 1	249	410	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
Analyte 69	116	414	10.58489079	9.794525917	10.19503668	10.43667391	10.31604228	10.43209113	10.52932227	10.47198123	10.57509416	10.54010607	10.72658305	10.34683824	10.39984298	10.40578867	10.44440091	10.30551672	10.26492195	10.44689513	10.35936769	10.71479221	10.62858452	10.5395571	10.11401151	10.11626251	10.36156125	10.8988062	10.62093663	10.59822681	10.37635749	10.39304708	10.14474574	10.18002919	10.19406585	10.10363276	10.39540657	10.58259622	10.0609011	10.44264498	10.44728215	10.39434095
Ethanedioic acid, bis(trimethylsilyl) ester	245	421	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
Oxalic acid	220	421	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
Propanoic acid, 2-oxo-3-trimethylsilyl-, trimethylsilyl ester	216	429	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
1-Methoxypropan-2-yloxytrimethylsilane	117	431	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
Analyte 76	104	435	1.171222402	0.156648339	0.646620249	0.796887791	0.796889134	0.871309732	0.983226918	0.918530041	0.789264059	0.831212615	0.486686052	0.140143527	0.827788902	0.284975554	0.149681763	0.229078362	0.307139393	0.105282176	0.017944278	0.202876837	0.31605814	1.075849291	0.177684362	0.421095958	0.57781906	-8.401609785	0.789606016	0.942293921	0.980147274	1.143637823	0.100058623	0.175360574	-0.00453924	0.433504853	0.352699286	0.034085938	0.164727503	0.455909561	0.335243528	0.332966788
Analyte 77	174	440	-0.717644146	-0.756601227	-0.453533401	-8.614264775	-0.331547646	-0.242576491	0.330330552	0.305286883	0.410823901	0.564628491	0.221991726	-8.462167732	-8.587288791	-0.322101362	-0.344632445	-0.377464791	-0.257411053	-0.126342865	-0.009270707	0.283668045	0.091657707	-0.628821268	-0.710639784	-0.034823841	-0.565513573	-0.247341554	0.357041277	0.136724147	0.154368593	0.285701934	-8.472281721	-0.981954729	-0.811874077	-8.769994453	-0.203777764	-0.165524532	-0.602296935	-0.143228798	0.282046047	0.046637405
Ethanimidic acid, N-trimethylsilyl-, trimethylsilyl ester	188	450	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
Analyte 85	145	458	0.095569918	-0.697524417	0.902027722	0.888228061	0.836721141	0.156643209	1.137060402	0.309074819	-3.388851789	-0.038619719	-8.847653308	0.411557334	-8.587288791	-0.179005263	0.327536413	-0.158723165	0.271414621	-8.521556571	-0.028207109	0.225693244	-0.161516951	0.917367178	0.596879868	-0.016680199	0.055695774	-8.401609785	-1.02437485	0.123014941	-9.136874557	-0.449215344	-0.130211513	-0.238280894	-0.136953722	0.248677877	-8.457520158	-8.5564872	-0.178708989	0.420231988	-8.765719859	0.165854995
Analyte 86	130	465	-8.896011807	0.248443406	1.290606287	1.691778275	2.420172836	1.694929544	2.15031847	1.107858655	1.539756639	0.650146232	1.369348086	-8.462167732	1.806235622	0.040999298	0.747440447	1.726434313	-8.652137021	0.79625095	-8.685463597	1.042954718	0.250909376	1.571727712	1.156247376	-0.243969362	-0.185888361	0.985916954	-0.033114611	0.373174778	1.028036934	1.619813182	0.765157169	-0.060841467	-0.472946144	2.248114557	-0.092709355	0.581615432	-0.053070172	2.007626345	1.421703866	-8.830019375
Analyte 90	100	480	1.664019765	1.407646012	1.849908962	2.000391711	1.80156045	1.926263095	2.441601366	1.971976349	1.852118968	1.762946682	0.935295846	1.489192381	1.28597079	-8.418396753	1.333427841	1.396041762	1.424128772	1.293101898	1.256984678	1.591637787	1.11101235	2.116282123	1.628764564	1.52449735	1.55003704	2.000566124	1.757355368	1.812781996	1.828400835	1.740857538	1.828966728	1.130936439	0.91147568	1.091660561	1.387548527	1.272377236	0.749405086	1.204448067	1.474319107	1.302547482
Urea 3TMS	261	485	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
à-D-Glucopyranoside, methyl 2-(acetylamino)-2-deoxy-3-O-(trimethylsilyl)-, cyclic methylboronate	221	506	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
L-Valine, N-(trimethylsilyl)-, trimethylsilyl ester	144	515	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
Analyte 100	151	520	-0.486719028	-0.152751096	0.555731029	0.119130509	0.054263765	-0.058266419	0.599010512	0.029547747	-0.015674262	0.236419327	-0.095098678	-0.625880983	-0.025869291	-8.418396753	-0.611043553	-0.337530023	-0.443468365	-0.350983646	-0.673217004	-0.248085466	-0.496697732	0.019476211	0.002043093	-0.239447878	-0.329959673	0.079304655	-0.108475583	0.014088555	0.153473851	0.199100732	-0.185642142	-8.602799265	-8.647267756	-0.312471354	-8.457520158	-0.577842859	-0.52457876	-0.590678032	-0.446449692	-0.324751632
Urea 2TMS	189	525	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
Analyte 106	281	536	-0.173270621	-0.541099349	0.095775704	0.304301777	0.118627061	-0.331907975	0.328744924	0.002246701	0.159349162	-0.066165294	0.035737182	-0.070205083	-0.436003005	-0.178807858	-0.216293036	0.118869073	-0.140226542	0.081918677	-0.019660221	-8.436323809	0.17253432	0.049613771	-0.157512249	-0.139054937	-0.169443609	0.104476643	-0.05273948	0.524425144	0.115988592	0.177164238	-0.217157884	0.612668619	-0.33992589	0.076628655	-0.05694045	-0.2224318	-0.186948085	0.2638078	-8.765719859	0.118139477
Analyte 109	117	551	1.482316693	1.333107966	1.889209271	1.40946855	1.4697728	1.00335332	2.09403998	1.428104544	1.321834162	1.491350121	1.023495277	1.014490321	0.721255145	-8.418396753	-0.741681905	1.470268779	0.723037888	1.176801477	-8.685463597	-8.436323809	0.962416771	1.448084138	1.28660645	1.283187319	1.478878043	1.388571426	1.427374775	-8.916388498	1.303811624	1.473658312	0.658301898	1.415821636	-0.446123337	0.872764033	1.080909679	0.599628684	0.894691595	0.980273882	-8.765719859	0.65481047
Phosphate 3TMS	299	568	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
N,O-Bis-(trimethylsilyl)leucine	158	573	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
Analyte 116	231	579	1.426429394	0.723887372	1.512635669	1.428157065	1.520800815	0.955150043	1.41624839	1.133509941	1.386526488	1.294393824	0.822145706	0.992978821	1.252702153	0.704883065	1.057604359	0.876085162	1.287946109	1.134648974	1.158738472	1.295355309	1.306891889	1.381541297	0.973483852	0.713086472	1.238415885	1.228747096	1.168014636	1.171384238	1.237209078	1.833016119	0.789349036	1.678707321	0.961370012	1.092920785	1.235880775	1.068725571	1.420917546	1.789563925	1.252975235	1.649950591
Glycerol, tris(trimethylsilyl) ether	205	584	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
L-Proline, 1-(trimethylsilyl)-, trimethylsilyl ester	142	590	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-Isoleucine, N-(trimethylsilyl)-, trimethylsilyl ester	158	594	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
Butanedioic acid, bis(trimethylsilyl) ester	147	598	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
Analyte 124	240	605	0.136738773	-0.197724388	0.557437793	0.489534245	0.383638663	-9.113437612	-8.990683496	0.324861312	0.435132516	-9.050625084	0.190257226	0.135444216	0.231884734	0.22376012	0.233926102	-8.544355129	0.33743298	0.401067644	0.157847563	0.361295656	0.372984966	0.579561149	-0.048263086	0.273335445	0.039781994	0.39923471	-8.90518364	-8.916388498	0.266670561	0.243732808	0.232953977	0.198714679	0.013202141	0.412110579	0.312643692	0.224150205	-0.160531635	-8.709256268	0.432136111	0.254748108
Glycine, N,N-bis(trimethylsilyl)-, trimethylsilyl ester	174	606	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
Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester	189	631	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
2-Butenedioic acid (E)-, bis(trimethylsilyl) ester	245	635	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
Analyte 131	117	644	3.293257812	2.861365369	3.023814857	2.850724389	2.800348414	2.525285333	3.313872791	2.879398507	2.80725645	2.918640028	2.187936432	2.593944331	2.757294185	2.577803887	2.794320819	3.24665569	2.702914182	3.434669345	2.422725403	2.862091334	2.962174201	3.150521338	3.109709689	3.17931722	2.872580967	3.079666932	2.779060085	2.818146289	2.601053891	2.800257479	2.762590138	2.707074588	2.382421002	2.637939527	2.799899852	2.596521806	2.90768869	2.688652946	3.244770503	2.738605189
1,1,1,3,5,5,5-Heptamethyltrisiloxane	207	651	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
Serine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester	204	660	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
Analyte 135	240	665	0.372371528	0.034678318	0.679212227	0.647683435	0.453619111	0.459241378	0.931044017	-9.019902172	-9.013884755	0.552792095	0.321450244	0.473955499	0.418089949	0.238491651	0.495162204	0.653633787	0.681073122	0.738095536	0.486440783	0.804303273	0.720825589	0.633471451	0.403663104	0.539702675	0.167103397	0.639086636	0.345258013	0.59372109	0.570639442	0.31557448	0.198277276	0.469178453	0.229019173	0.564314457	0.571840457	0.68083901	-9.070753443	0.199222259	0.807073357	0.519831006
Analyte 136	207	672	-0.466404263	0.050281453	0.250186	0.996646829	0.303265194	-0.01397617	0.574169234	0.288988541	-0.239823815	0.611122527	-0.223646624	1.103338608	0.615243456	1.190230815	0.649909558	0.911415214	0.689088329	0.902415218	0.697634727	1.252087875	0.779118291	0.474415491	0.169213012	-8.924824055	0.262415526	0.392583235	0.213248649	0.378868657	-0.167476453	0.265604134	1.171559726	0.860882647	0.769690105	0.31910401	0.887918552	0.931683874	0.469481155	0.944515189	0.693017075	0.803415311
N,O,O-Tris(trimethylsilyl)-L-threonine	219	686	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
2-Aminophenol, N,O-di(trimethylsilyl)-	150	706	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
Ethylbis(trimethylsilyl)amine	174	735	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
Analyte 150	83	736	0.302087996	0.128095367	0.626595322	0.35467089	0.632016941	0.296854477	0.571181102	0.225792896	0.418537896	0.326144605	0.294286136	0.753173516	0.797041619	0.436981816	0.52744524	0.579026741	0.719742982	0.467764675	0.515421333	0.673008428	0.671771723	0.623303486	0.490025888	0.269596165	0.000322775	-8.401609785	0.093013809	0.324582176	-1.198246917	0.368872978	0.547626096	-0.413006351	0.526309878	0.628982842	0.731030876	0.656374623	0.573571639	0.444505665	0.746352845	0.555842382
Aminomalonic acid, tris(trimethylsilyl)-	218	744	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
2-Pentamethyldisilanyloxybutane	84	744	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
Analyte 161	205	760	1.548659494	1.216600013	1.343484877	1.199565207	1.298155129	0.011443795	0.935082645	1.30461144	0.787274258	1.215387408	0.623019275	0.820025839	0.361846352	1.159589987	0.939178191	1.034203	0.332944261	0.995338047	-8.685463597	-8.436323809	0.830798562	1.552518346	1.51096327	0.931040956	0.88606562	1.217437244	1.073659216	1.156524667	0.593898043	0.748805719	0.829804696	1.086486685	0.730444989	0.620906932	0.841763336	0.870841155	-9.070753443	0.779342458	0.671998847	0.985433937
Butanedioic acid, [(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester	233	764	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
L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester	156	770	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-Proline, 1-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester, trans-	230	797	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
1,1,1-trimethyl-N-{(2E)-1-methyl-3-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-1,3-dihydro-2H-imidazol-2-ylidene}silanamine	115	810	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
2-Aminophenol, O-tert.butyldimethylsilyl-	135	811	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
Analyte 179	174	814	8.881875224	8.973190366	8.978810944	8.958824605	8.865287548	8.916924125	8.854959842	8.824677171	8.726461731	8.676665154	9.106254695	9.206433017	9.248150563	9.124227167	9.310744831	9.29026342	9.268553978	9.195303219	9.273634442	9.310083981	9.275752697	9.062619183	8.932537846	8.919171067	8.772375262	8.864468007	8.72822546	8.785017224	8.633136132	8.470723228	9.140699014	8.966920887	9.173295625	9.105423829	9.312779122	9.139953109	9.032321302	9.1875097	9.181895816	9.207576975
Analyte 183	129	827	1.298374933	1.361945615	1.248056572	1.065956311	1.630895419	1.783187322	1.760786426	1.859333168	1.469598558	1.335370645	1.333295145	1.542681276	1.522965836	1.846125627	1.855261535	2.388191512	1.685862362	1.559012152	1.534691351	2.579036629	1.833094192	2.499759444	2.596469625	1.312609345	0.16872101	0.891506188	1.449353914	1.386338675	1.167436418	0.291680962	2.103492462	0.195944672	1.896950019	2.788798998	1.575696711	2.084120933	1.544495081	1.397776851	1.81652885	1.526238813
Analyte 184	292	830	-1.13252215	-0.845891036	-1.244217987	-8.614264775	-0.863596413	-1.480148454	-1.228823922	-9.019902172	-0.958679453	-1.219215109	-8.847653308	-0.816030701	-0.50502729	-8.418396753	-0.754454166	-8.544355129	-1.18992774	-1.086437335	-1.511170252	-8.436323809	-0.558870359	-0.102788611	-1.03719709	-0.522124049	-1.007335936	-1.13330943	-8.90518364	-1.551682411	-1.228975889	-1.118639084	-1.169236405	-1.123175369	-8.647267756	-0.935182233	-8.457520158	-0.75639387	-1.024978887	-1.045108589	-1.312766354	-0.864506542
4,7-Bis(trimethylsiloxy)-2,4,7,9-tetramethyl-5-decyne	313	838	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
Silanamine, 1,1,1-trimethyl-N-(1-methyl-2-phenylethyl)-N-(trimethylsilyl)-, (ñ)-	188	810	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
N,N-Diethyl-1,1,1-trimethylsilylamine	130	852	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
Analyte 193	277	905	-0.383467879	-0.13718563	-0.394627579	-0.357815297	-0.236478666	-0.981227411	-0.29009968	-0.237511077	-0.875848942	-0.495890307	-0.431869418	-0.045384504	-0.401505974	0.081116765	0.30846469	0.07129163	-0.911228497	-0.356623979	-0.536341757	-0.792660156	-0.295194775	0.198224579	0.11366463	-0.10357763	-0.355633847	-0.294435369	-0.291580942	-0.376908607	-0.841540214	-1.084768421	0.186350093	-0.434664545	0.556185823	-0.549900899	0.008868184	-0.299476197	-0.679811686	-0.653521211	-0.617541136	-0.34017303
Analyte 194	73	911	3.691075491	3.504308056	3.866966002	4.34051902	3.995832074	3.776382598	4.08842967	3.860138186	3.967493898	3.615339803	4.057659289	4.40002225	4.504446975	4.341274013	4.372663017	4.297377062	4.313310131	4.372264593	4.324684743	4.398694181	4.130436558	4.147241132	3.798125592	3.79132524	3.685017294	4.194585527	3.931025904	4.080332129	3.457769386	2.729071221	4.333228487	3.785240153	4.094431757	4.051742219	4.345337923	4.043614064	-9.070753443	3.863147019	4.18731077	3.853818707
1H-Indole, 7-methyl-1-trimethylsilyl-	188	923	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
d-Mannose, 2,3,4,5,6-pentakis-O-trimethylsilyl-, o-methyloxyme, 1Z-	160	1048	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
Hexadecanoic acid, trimethylsilyl ester	117	1124	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
Oleic acid, trimethylsilyl ester	129	1213	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
Octadecanoic-Acid	117	1227	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
Analyte 235	69	1453	2.225285819	2.396096257	2.843084616	3.039309719	2.863742468	-9.113437612	2.577659988	-9.019902172	2.304317607	2.156816622	-8.847653308	3.858231284	3.720839076	3.709438718	3.190341045	4.207445292	3.749782768	3.439202582	3.745460997	-8.436323809	3.656175309	3.26895437	3.614066079	-8.924824055	3.025130409	3.116451208	-8.90518364	2.378030099	3.141142544	3.013470126	4.324330103	4.090384278	3.782536928	4.814613419	5.016907934	4.140328279	4.069287829	4.318409802	4.343115847	4.189336914