metabolite_name	EMP_05 KO-CTRL	EMP_06 KO-CTRL	EMP_07 KO-CTRL	EMP_08 KO-CTRL	EMP_01 WT-CTRL	EMP_02 WT-CTRL	EMP_03 WT-CTRL	EMP_04 WT-CTRL	EMP_13 KO-LPSIFN	EMP_14 KO-LPSIFN	EMP_15 KO-LPSIFN	EMP_16 KO-LPSIFN	EMP_09 WT-LPSIFN	EMP_10 WT-LPSIFN	EMP_11 WT-LPSIFN	EMP_12 WT-LPSIFN
zymosterol	6826	7796	7461	7876	6952	8145	8024	7041	6050	6717	7389	5759	4909	8010	5595	4372
xylose	167	152	167	107	243	163	226	170	89	160	139	136	120	82	71	170
xylitol	419	331	375	490	351	332	520	504	275	338	292	268	389	394	502	449
xanthine	223	250	235	370	322	216	318	336	400	478	764	548	450	726	591	349
valine	21274	21347	24088	19716	13914	17566	17402	18621	19773	21240	25169	22055	25782	26599	23559	23049
uridine-5-monophosphate	384	176	673	209	327	496	592	412	1797	248	390	271	418	1040	437	265
uridine	592	558	543	684	319	325	614	492	377	481	1059	334	373	1303	628	360
uric acid	1414	1203	1807	2082	689	984	1602	1064	281	233	401	326	465	834	623	373
urea	7159	4862	3434	4020	5949	4700	4803	6748	6114	5178	3862	6903	4365	4160	5653	3774
uracil	871	1013	1301	1872	579	719	706	719	355	356	343	330	463	448	591	350
UDP GlcNAc	2084	1725	2605	1748	1416	1962	1627	2138	585	1229	686	569	1834	873	977	823
tyrosine	4318	4973	6251	5902	3254	4593	5145	5054	4040	3647	5259	5070	5321	7182	8960	4790
tryptophan	1183	1384	2950	1983	1142	1928	1699	1495	1343	1013	1830	1320	2226	2700	1038	1806
tocopherol alpha-	342	258	167	314	359	260	312	234	478	320	491	405	401	365	379	384
thymine	214	208	154	103	394	160	287	132	242	359	247	189	221	157	227	184
thymidine-5-phosphate	395	278	231	229	430	376	639	390	222	245	149	252	286	195	313	261
thymidine	504	336	228	354	436	454	539	490	352	740	423	462	466	299	635	366
threonine	6576	7047	6582	5608	3674	5960	4963	4586	8937	8794	10893	7892	12644	17243	12017	12488
threonic acid	122	131	166	138	160	138	190	142	172	206	132	189	207	138	580	118
terephthalic acid	152	173	176	190	291	137	379	542	133	436	213	185	158	165	235	187
taurine	1123	3616	35157	3296	15704	12145	100998	5152	15125	1389	2923	1696	28126	27233	17432	7499
tartaric acid	106	127	136	79	226	93	92	158	120	144	133	161	423	100	65	111
sucrose	75102	59441	73277	63171	75933	117324	117636	134166	91060	90898	111603	91442	120636	184429	155218	140578
succinic acid	3648	2090	2074	7058	21595	4410	32352	17143	7502	40828	22967	4829	23445	3040	32656	4296
succinate semialdehyde	600	947	984	1455	5943	1166	7841	3733	736	10133	6413	683	6617	847	12351	470
stearic acid	114140	71661	82179	85934	123705	89938	103152	115286	132025	107896	131394	139571	114428	103427	131867	111395
spermidine	290	373	358	450	977	642	765	723	904	463	364	386	1236	4105	716	708
sorbitol	2635	2143	2117	1601	1906	2545	2380	2695	754	923	1313	1095	1231	1853	2921	1459
shikimic acid	307	320	370	625	310	301	409	398	319	506	396	453	597	493	502	366
serine	28366	25641	23195	26466	24255	27806	27329	32387	39120	43483	50858	40708	58499	71526	74871	64495
salicylic acid	473	372	335	308	205	293	410	235	204	795	198	760	187	176	160	129
salicylaldehyde	421	296	304	298	491	341	473	638	447	720	604	547	285	295	348	271
saccharic acid	1018	840	979	1035	796	1210	901	254	1250	997	1337	1149	2051	2876	1480	1815
ribose-5-phosphate	661	553	693	597	641	546	703	695	849	499	806	525	875	818	1078	669
ribose	543	501	477	436	585	568	697	737	954	1254	1152	955	1224	1422	1709	888
ribonic acid	194	229	177	230	169	259	247	274	189	185	202	212	219	497	174	174
ribitol	492	321	468	484	381	354	251	576	637	604	473	676	857	1633	1369	2023
raffinose	18083	18666	21161	18894	20182	29397	27388	32557	20526	24874	29517	21840	26936	40586	29038	36384
pyruvic acid	1977	1609	2565	2103	2365	3446	2329	2386	1274	752	982	1393	964	998	1170	1162
pyrophosphate	368735	273813	268862	280275	363939	353900	202678	245300	61498	40236	49669	56640	57718	55952	49711	72819
pyridoxal-5-phosphate	312	462	351	586	337	243	194	284	150	181	244	75	252	628	238	207
putrescine	1611	1071	1565	1512	779	1498	1008	1546	2470	1524	2336	2510	5168	6791	3356	4581
propane-1,3-diol NIST	1335	1368	1512	1375	2845	1773	2373	1661	1650	2217	2092	1727	2095	885	2840	1443
proline	50120	56851	48940	37159	16811	31917	24408	19673	39241	35112	43078	20586	44826	60844	35425	41231
pinitol	18356	16594	18262	18278	16120	20298	18988	19928	21511	20882	25391	23998	26598	35488	23599	23522
phosphoethanolamine	42801	59116	129064	179887	16759	76746	17185	68220	65132	2260	24803	7522	101629	238886	31626	108169
phosphate	230079	292816	275942	206754	394481	208756	325108	325135	242038	389910	225201	284807	312984	208287	210286	293740
phenylalanine	5294	5594	5878	5340	3004	4780	4400	5158	3082	3945	4984	5066	3630	6010	5397	4002
pentadecanoic acid	1757	1545	1550	1702	1906	1852	1590	2315	3056	2459	3147	3171	3259	3229	2979	2699
pelargonic acid	12735	8232	9676	7984	14923	11202	10432	10699	18352	9644	8710	11097	7768	7218	9820	10306
parabanic acid NIST	1566	777	889	831	3978	2541	1396	2333	1090	954	724	1581	1457	801	1042	812
palmitoleic acid	58	43	51	76	103	74	40	72	205	178	141	200	139	219	132	121
palmitic acid	19700	13709	15119	15119	22237	16852	18500	20819	23975	20590	24255	26746	22762	22266	24430	21505
palatinitol	645	1965	6588	3223	1852	1365	296	630	1225	208	812	133	202	2211	1031	5788
oxoproline	184856	96763	112171	100451	175863	156891	173162	178230	159626	159156	140700	226347	160169	184143	179694	181434
oxalic acid	293	144	314	184	1157	367	658	377	451	1061	243	241	341	190	294	124
orotic acid	241	121	197	108	254	315	209	184	238	478	169	286	220	180	160	158
oleic acid	252	1028	291	585	243	167	203	499	880	594	3029	3361	428	1325	2830	414
oleamide NIST	448	364	273	372	675	452	275	328	170	347	564	509	495	450	537	321
octadecylglycerol	260	485	220	447	268	452	296	274	418	513	399	669	242	362	528	461
nicotinamide	3537	2807	3764	2494	2331	4517	3166	3203	3668	3795	8623	7616	13147	16563	8227	7321
N-carbamylglutamate	166	183	181	216	270	171	471	441	179	211	200	226	301	231	274	176
N-carbamoylaspartate	41	55	115	112	225	114	215	77	106	107	73	108	117	71	34	103
N-acetylmannosamine	339	408	394	289	487	472	327	615	487	467	454	545	709	702	649	656
n-acetyl-d-hexosamine	87	160	121	203	191	98	120	166	198	214	89	189	219	152	190	169
N-acetylaspartic acid	3483	4357	2877	2367	6384	2682	10318	11467	1703	1899	2539	2297	3047	2884	4131	3285
myristic acid	754	630	687	692	981	649	737	813	1442	1344	1694	1980	1257	1314	1227	793
myo-inositol	338973	220810	339857	399771	384375	255291	427304	351340	226667	170179	276084	187344	266838	229508	293271	254647
mucic acid	224	326	347	213	320	306	307	302	337	423	373	382	399	604	448	431
methylmaleic acid	189	173	221	233	847	273	867	1569	231	335	377	305	372	234	189	378
methionine	4725	5775	5944	4855	2053	4865	3286	2949	2907	2402	4044	3237	3432	6445	4038	3423
methanolphosphate	9296	9006	9542	9833	13378	8808	17571	6663	10982	5649	8581	3397	3965	7862	11339	6748
melezitose	138	179	236	144	248	127	187	188	200	202	162	220	281	248	248	198
mannose	67	1152	170	212	206	110	697	219	254	240	298	354	389	532	1077	191
maltose	107	638	116	67	234	289	178	130	90	261	260	100	141	204	2352	118
malic acid	5249	4376	5185	5455	3713	4480	5331	6585	2370	2493	1901	1894	5912	2414	2251	3056
maleimide	2419	3062	4900	2575	3441	6203	4711	2937	3536	2518	4619	2786	5293	6132	6012	4342
maleic acid	108	144	593	294	233	124	176	137	142	116	165	100	1869	250	191	242
lyxitol	898	1194	849	1142	582	855	1182	960	805	828	741	752	831	1320	996	1203
lysine	5511	9670	16819	9728	7562	14043	6374	7919	11565	1883	7750	6385	25213	34762	17930	17858
linoleic acid	268	290	286	232	354	217	302	347	481	269	308	443	355	608	437	410
lignoceric acid	678	507	436	549	638	396	560	456	432	542	399	392	157	489	674	494
levoglucosan	274	408	247	189	496	435	510	330	212	267	183	287	182	90	194	132
leucine	34654	42159	38001	33049	21163	24562	27491	26402	28161	34540	36846	29185	33977	4382	32361	16073
lauric acid	4488	9374	5598	2932	13364	7126	7005	7343	5592	6623	10560	6167	8253	3223	4907	3380
lanosterol	102	157	97	93	259	65	162	92	117	196	59	135	118	86	87	62
lactitol	138	116	148	137	191	200	107	217	118	144	73	170	205	279	222	175
lactic acid	5423	7547	9222	8747	6595	6541	7659	6250	4088	5545	3493	4349	3310	2191	7445	3092
itaconic acid	134821	122774	122367	140877	492000	188956	424203	582807	697879	737494	733185	732110	327147	383895	343325	368581
isothreonic acid	1077	915	818	862	849	1442	1051	1387	744	766	509	887	1213	1918	1169	1076
isomaltose	131	97	117	112	283	153	180	235	200	267	113	100	133	111	172	136
isoleucine	12669	13168	13601	12352	6609	9112	8339	8110	10145	9143	12342	9308	12140	15328	10747	11777
isohexonic acid	716	596	739	695	528	865	672	483	775	739	977	1442	1293	1904	1018	1386
inulotriose	91	128	121	81	166	110	111	111	95	96	70	60	116	75	183	82
inositol-4-monophosphate	337	349	557	500	384	471	501	475	301	356	448	372	366	499	347	262
inosine 5'-monophosphate	8225	5621	8042	7645	2739	3293	14177	6097	1107	731	531	386	1902	1653	3362	2905
inosine	435	383	271	465	454	294	706	1250	1120	4426	4829	4819	907	5073	4648	1735
hypoxanthine	729	838	949	1066	807	855	1365	1285	4027	7395	10222	8588	4591	11693	9163	7523
hydroxylamine	34497	15575	36012	25429	59401	43101	19568	38572	45090	22982	16376	39852	31671	18821	16770	32222
hydroxycarbamate NIST	13281	6573	10138	10609	21622	14086	8008	15209	13493	5422	7344	14551	10213	7474	5424	9708
histidine	500	832	1540	982	670	1084	528	640	875	392	1018	655	2956	5185	2215	2470
hexuronic acid	156	286	189	252	379	266	234	151	276	401	263	316	328	409	226	265
hexose-6-phosphate	108	128	115	120	176	166	153	121	454	344	519	413	948	1042	1046	803
hexitol	6118	4206	5945	5433	5404	5145	6046	6940	4230	2984	4484	3391	4386	3227	6042	4222
hexadecylglycerol NIST	631	493	336	448	441	414	689	449	530	619	455	634	277	595	434	267
hexadecane	7882	4774	10240	5539	10608	9880	6502	6809	5614	3067	5227	8179	3817	4923	4182	6376
heptadecanoic acid	1576	1273	1193	1571	1693	1371	1429	1726	2981	2180	2849	2919	2020	3402	2803	2266
guanosine	72	159	113	122	143	129	139	102	105	169	133	142	132	109	293	142
glycyl tyrosine	1688	717	686	641	1072	1707	653	1246	336	226	341	651	368	403	199	313
glycolic acid	727	734	460	601	1088	813	880	1059	852	880	758	896	620	513	877	463
glycocyamine	467	840	2043	536	265	1806	774	303	365	304	630	169	243	1383	654	700
glycine	91983	164372	85951	92939	68276	84044	105858	90163	119952	199715	211640	134351	171952	187863	193055	165302
glycerol-alpha-phosphate	103247	90145	86827	72597	127853	140952	155569	139873	56658	51314	74913	57224	126319	131674	140255	94162
glycerol	674486	1140054	772917	1031987	1442308	817160	1144679	978172	1234269	1313349	831603	1127692	897275	668947	908127	1014997
glyceric acid	912	641	423	813	527	374	526	619	1235	1352	688	1327	484	603	1032	430
glutaric acid	210	253	95	95	860	112	1438	1748	160	224	34	117	140	17	132	244
glutamine	3593	3641	3780	4062	2352	4607	2808	4101	4007	2552	4938	3758	7536	14531	10581	11917
glutamic acid	241972	294676	311464	319103	79731	309180	110070	144546	62213	61640	78977	64176	59675	111988	67938	85972
glucose-1-phosphate	1417	1259	1458	1266	1684	1566	1846	2213	923	1125	981	1136	1496	1101	1079	1063
glucose	143	132	193	1486	213	354	182	231	279	286	367	486	281	361	401	542
gluconic acid	100	134	101	99	153	95	113	158	159	197	95	97	149	111	205	97
glucoheptulose	201	382	254	269	299	197	245	209	211	312	228	266	693	722	573	633
galactonic acid	118	183	237	222	188	296	194	300	252	221	229	137	325	343	319	335
galactinol	1643	4370	7322	4876	2707	2212	2074	2882	2602	2154	2982	1879	2501	3592	2445	6407
fumaric acid	4620	3921	4784	4931	5785	5392	6481	6871	3234	2948	3813	2630	4187	3883	3770	3694
fucose	1178	1242	1178	1227	1166	1061	1482	1551	1112	1310	1303	1063	1497	1441	1551	1095
ethanolamine	126217	71904	171049	93997	85422	113874	94891	108157	55777	47669	52026	63607	74512	53463	46229	65769
enolpyruvate NIST	219	189	204	136	242	227	187	228	262	138	154	179	253	123	174	110
docosahexaenoic acid	1327	1002	1239	1228	1416	1110	1312	1761	1627	1398	1703	1569	1659	2559	1853	1748
dihydroxyacetone	466	592	356	550	1054	652	626	831	898	936	715	888	825	613	794	594
dihydrocholesterol	934	1293	928	1012	898	932	1052	1319	714	880	931	954	1284	1412	1144	1163
D-erythro-sphingosine	2783	3821	4709	5243	1990	2713	2250	1693	877	598	863	774	631	1298	696	682
cytosin	1110	687	514	701	1109	747	1590	742	546	988	732	464	554	427	998	718
cytidine-5-monophosphate	21332	16966	13609	13692	8727	23036	16891	12274	1679	1939	2217	2185	2344	4200	3839	2548
cytidine	523	478	715	440	370	435	623	521	509	395	593	457	795	867	457	801
cystine	290	382	714	477	786	671	930	853	3135	2358	3874	3364	4943	4894	5813	6510
cysteine-glycine	113	112	355	117	250	138	130	97	150	148	96	96	307	970	194	139
cysteine	16028	19637	17396	14670	4440	19702	10385	8710	23125	13327	30872	13220	19774	47424	27332	31202
creatinine	150246	134353	104635	105685	75591	145168	145996	118470	95797	84725	99487	90688	81377	129001	110277	101313
conduritol-beta-epoxide	5536	4725	5509	5197	4914	6749	6033	6845	6043	5309	7273	6220	8004	9715	7278	7006
citrulline	5335	3538	5028	4797	3532	6731	3671	4362	2856	3925	4770	4598	3141	4262	2376	3116
citric acid	33557	29705	34737	23998	49578	41422	25770	35365	803974	473101	858687	896722	988060	975311	1025266	1108686
cis-gondoic acid	61	133	173	159	193	135	162	85	69	135	86	234	203	90	55	53
cis-caffeic acid	127	104	326	147	140	258	107	77	156	215	105	187	384	206	119	143
cholesterone	223	261	235	253	414	144	346	270	198	279	179	210	228	265	199	141
cholesterol	1117756	1176904	1211690	1126011	1201253	1142767	1327157	1126080	1198511	1334001	1256694	1320411	1275532	992062	1130507	1147987
cellobiose	114	477	259	269	262	204	193	381	136	251	160	207	356	953	264	1839
capric acid	450	741	562	369	816	465	465	583	695	497	852	533	647	499	443	378
butyrolactam NIST	4368	3155	3703	3517	3808	3768	4120	4324	3842	3564	3143	3759	3523	3410	2633	2654
bisphosphoglycerol NIST	185	332	197	298	265	203	265	205	254	191	244	161	202	218	296	333
beta-glycerolphosphate	519	535	806	724	769	736	683	890	1000	525	866	707	1337	2332	1469	1320
beta-alanine	434534	269458	370024	329280	282327	426507	270015	461838	277426	182302	191335	219504	276616	420019	176382	253994
benzoic acid	6143	3684	4555	5021	10143	6237	7566	8300	6930	4680	5723	6549	5684	3576	5655	5597
aspartic acid	1442102	1343885	1265095	1266131	434262	1157380	510373	655732	303606	235976	368211	237733	205997	355316	260554	226342
asparagine	9801	11791	12401	9313	5743	17087	7495	6882	9672	5579	17980	9035	16836	30990	19650	19159
arachidonic acid	1746	1324	1648	1562	1713	1573	1120	3218	2517	1326	1793	1869	1487	3010	1905	2161
arachidic acid	1833	1757	1566	1577	1815	2545	2541	2123	3761	2361	3781	2858	3636	3978	2700	3439
aminomalonate	10533	6668	7586	11487	7759	11907	5116	12929	11619	6404	8832	18080	13417	22721	5889	12847
alpha-ketoglutarate	387	349	287	470	773	624	612	439	245	200	210	206	247	921	185	385
alpha-aminoadipic acid	166	197	259	150	274	161	130	136	116	255	97	150	312	216	183	211
alloxanoic acid NIST	174	88	214	180	625	173	193	320	223	307	121	138	298	160	248	207
alanine	64669	84090	75639	69707	56627	77514	59972	59860	81923	98265	84209	66964	102617	111672	98810	106533
adipic acid	360	430	214	320	501	313	671	967	384	410	478	382	397	194	336	322
adenosine-5-monophosphate	25420	33108	47898	34182	21684	51704	20926	29695	15047	10759	15407	8823	21169	34509	16730	17675
adenosine	753	755	907	798	937	1022	1013	1564	758	1556	1180	1054	813	1523	1129	1027
adenine	1363	1366	1518	1549	1246	1428	1325	1116	2609	2488	3275	2889	2998	4060	3237	3002
aconitic acid	188	144	270	148	285	270	440	351	728	1076	1762	916	1212	1272	1887	1052
5-methoxytryptamine	218	281	405	206	296	352	257	312	322	294	232	305	267	665	181	414
5'-deoxy-5'-methylthioadenosine	315	256	322	279	283	215	288	341	561	574	771	728	503	455	432	815
5-aminovaleric acid	5984	4906	5807	5469	2485	5491	4086	4694	4482	3335	3916	4074	4384	6441	3466	4353
4-hydroxybutyric acid	5910	2370	1991	11538	47481	10954	109821	32140	3101	182066	91893	4727	100822	2779	202044	3260
4-aminobutyric acid	18224	11540	14873	14565	6880	14633	9311	13287	9476	6447	7501	8900	9186	13334	5991	7782
3-phosphoglycerate	295	323	302	426	231	223	194	217	471	183	308	216	279	187	225	298
3-hydroxypropionic acid	4421	3052	2772	6197	21804	6453	41683	14862	4328	63776	29935	5892	31109	2615	96589	3261
3-hydroxy-3-methylglutaric acid	114	138	87	134	322	89	329	320	150	205	194	207	260	120	240	179
3-aminoisobutyric acid	925	1152	726	566	770	476	543	431	877	280	832	443	718	948	968	1061
3,4-dihydroxyhydrocinnamic acid NIST	305	260	457	149	176	594	106	519	228	208	179	533	768	201	239	251
3,4-dihydroxycinnamic acid	107	114	1908	513	217	117	102	98	103	420	90	361	5304	452	90	645
2-monopalmitin	1406	1436	1260	1728	1385	1326	1660	1447	1180	1116	1300	1416	1025	1599	1582	852
2-monoolein	1661	1857	1776	1725	1844	2944	1651	3851	2389	1742	2661	2359	1736	3606	2322	2023
2-ketoisocaproic acid	847	417	899	507	1215	622	364	726	684	734	649	1057	726	1063	807	735
2-ketobutyric acid	2636	3586	2920	1746	2576	4394	2714	1169	3257	2413	4026	3029	1757	1940	2990	2236
2-hydroxyvaleric acid	732	596	589	467	989	829	771	625	655	565	595	772	940	391	697	598
2-hydroxyglutaric acid	1712	1836	1200	1167	1048	1078	3923	3457	1509	1255	1395	1376	1008	3015	3491	3561
2,5-dihydroxypyrazine NIST	1603	1478	2078	1226	1568	2417	2863	1326	5015	2166	3536	3614	4582	7399	4479	6132
1-monostearin	265	249	252	329	279	265	375	401	421	402	421	419	368	362	323	334
1-monoolein	1057	1896	1804	2222	3292	3114	3595	4827	1548	2853	3345	1835	2013	3031	2855	2169
1-hexadecanol	204	305	239	337	351	339	288	331	301	337	221	413	247	220	222	244
1,2-anhydro-myo-inositol NIST	248	325	163	423	360	323	370	257	227	352	284	307	415	373	341	230

metabolite_name	retention index	quantified m/z	PubChem	KEGG	Binbase ID	m_spectrum
zymosterol	1088064	129	92746	C05437	110304	85:177.0 89:568.0 91:6448.0 92:1105.0 93:4713.0 94:863.0 95:5377.0 96:483.0 97:679.0 99:214.0 100:60.0 101:496.0 102:96.0 103:474.0 104:244.0 105:5113.0 106:1074.0 107:3871.0 108:677.0 109:2977.0 110:295.0 111:776.0 112:78.0 113:216.0 114:82.0 115:1275.0 116:375.0 117:1731.0 118:596.0 119:5026.0 120:1867.0 121:2893.0 122:375.0 123:1213.0 124:126.0 125:189.0 127:349.0 128:830.0 129:11062.0 130:1669.0 131:2858.0 132:926.0 133:1954.0 134:533.0 135:1341.0 136:190.0 137:639.0 138:120.0 139:78.0 141:441.0 142:446.0 143:2138.0 144:651.0 145:2678.0 146:661.0 147:1776.0 148:321.0 149:686.0 150:90.0 151:154.0 152:134.0 153:101.0 154:94.0 155:507.0 156:230.0 157:1217.0 158:820.0 159:2007.0 160:800.0 161:1261.0 162:193.0 163:641.0 164:83.0 165:341.0 166:83.0 169:462.0 170:174.0 171:797.0 172:312.0 173:947.0 174:183.0 175:473.0 176:98.0 177:78.0 178:90.0 179:179.0 181:123.0 182:94.0 183:221.0 184:93.0 185:414.0 186:107.0 187:297.0 188:101.0 189:372.0 190:55.0 191:145.0 192:88.0 193:139.0 194:126.0 196:92.0 197:268.0 198:102.0 199:483.0 201:291.0 202:53.0 203:283.0 204:91.0 205:101.0 211:389.0 212:234.0 213:780.0 214:226.0 215:316.0 216:73.0 217:256.0 219:129.0 221:33.0 225:141.0 226:97.0 227:215.0 228:169.0 229:97.0 231:122.0 232:47.0 235:44.0 239:160.0 240:52.0 241:129.0 242:33.0 243:218.0 245:385.0 247:24.0 252:65.0 253:1350.0 254:336.0 255:293.0 256:37.0 258:52.0 267:47.0 269:55.0 281:289.0 282:280.0 290:27.0 295:45.0 323:32.0 324:26.0 326:161.0 327:406.0 328:105.0 329:36.0 343:865.0 344:354.0 346:36.0 351:377.0 352:117.0 366:192.0 367:89.0 368:32.0 372:257.0 373:139.0 374:38.0 430:30.0 440:27.0 441:216.0 442:141.0 456:128.0 457:87.0
xylose	546699	307	135191	C00181	231	85:303.0 86:445.0 87:365.0 88:302.0 89:3272.0 90:311.0 91:175.0 94:67.0 98:180.0 100:981.0 101:1295.0 102:627.0 103:28581.0 104:2349.0 105:2067.0 106:84.0 107:93.0 109:41.0 110:139.0 111:123.0 112:95.0 113:247.0 114:528.0 115:515.0 116:333.0 117:974.0 118:211.0 119:228.0 120:59.0 121:36.0 122:19.0 124:42.0 125:54.0 126:190.0 127:198.0 128:240.0 129:1569.0 130:606.0 131:1210.0 133:3371.0 134:539.0 135:301.0 136:67.0 138:43.0 139:63.0 140:86.0 141:92.0 142:197.0 143:474.0 144:132.0 145:190.0 146:63.0 147:10038.0 148:1511.0 149:963.0 150:98.0 151:65.0 152:51.0 153:17.0 154:61.0 155:89.0 156:55.0 157:101.0 158:242.0 159:64.0 160:1806.0 161:368.0 162:119.0 163:384.0 164:92.0 165:52.0 166:33.0 167:51.0 168:237.0 170:80.0 171:41.0 172:98.0 173:191.0 174:301.0 175:254.0 176:38.0 177:107.0 178:32.0 180:33.0 182:43.0 183:24.0 184:83.0 185:40.0 186:56.0 188:32.0 189:1895.0 190:370.0 191:672.0 192:130.0 193:74.0 194:29.0 195:26.0 196:35.0 197:44.0 198:177.0 200:101.0 201:37.0 202:76.0 203:142.0 204:706.0 205:739.0 206:217.0 207:191.0 208:43.0 212:64.0 215:71.0 216:216.0 217:8693.0 218:1618.0 219:676.0 220:130.0 221:166.0 222:55.0 223:23.0 224:26.0 226:23.0 228:51.0 229:68.0 230:58.0 231:181.0 232:99.0 233:380.0 234:220.0 235:88.0 239:41.0 240:73.0 242:84.0 243:79.0 244:44.0 247:48.0 248:51.0 251:28.0 252:41.0 253:21.0 254:43.0 255:36.0 256:141.0 259:72.0 260:48.0 261:19.0 262:168.0 263:87.0 264:34.0 265:30.0 270:34.0 271:34.0 272:61.0 273:51.0 274:57.0 275:43.0 276:23.0 277:513.0 278:203.0 279:97.0 280:52.0 283:34.0 286:16.0 288:79.0 289:16.0 291:67.0 292:30.0 293:30.0 295:36.0 296:18.0 300:28.0 304:27.0 306:77.0 307:1973.0 308:588.0 309:290.0 310:40.0 311:38.0 312:31.0 313:24.0 318:27.0 319:37.0 320:22.0 322:20.0 325:37.0 328:65.0 330:95.0 331:82.0 332:33.0 333:49.0 335:34.0 336:28.0 338:21.0 339:23.0 340:17.0 341:14.0 343:42.0 344:32.0 346:40.0 347:26.0 348:29.0 349:34.0 352:45.0 353:55.0 354:28.0 355:30.0 356:21.0 357:28.0 358:44.0 359:38.0 360:25.0 361:38.0 362:69.0 364:53.0 365:43.0 366:47.0 368:27.0 369:36.0 370:37.0 371:50.0 372:20.0 374:40.0 375:34.0 376:38.0 379:23.0 380:22.0 382:35.0 384:26.0 385:22.0 386:13.0 387:21.0 389:19.0 390:22.0 394:39.0 395:29.0 396:24.0 397:35.0 400:30.0 401:24.0 402:21.0 403:37.0 404:25.0 406:37.0 407:25.0 408:26.0 409:17.0 410:48.0 414:18.0 416:16.0 422:20.0 426:36.0 433:24.0 434:38.0 435:37.0 437:24.0 440:22.0 441:26.0 445:46.0 447:29.0 449:40.0 451:11.0 452:44.0 453:39.0 454:57.0 455:37.0 456:25.0 457:44.0 458:28.0 459:27.0 461:56.0 462:40.0 463:41.0 466:35.0 468:37.0 470:30.0 471:17.0 473:18.0 477:26.0 478:17.0 480:11.0 481:27.0 482:22.0 484:48.0 486:28.0 487:19.0 491:22.0 492:18.0 494:31.0 497:23.0 499:25.0
xylitol	567437	217	6912	C00379	5857	85:22.0 87:53.0 88:95.0 89:312.0 94:15.0 99:38.0 101:376.0 103:3875.0 104:345.0 105:78.0 107:25.0 108:24.0 110:68.0 113:18.0 115:63.0 116:117.0 117:1418.0 118:103.0 119:73.0 129:1604.0 130:163.0 131:367.0 132:26.0 133:712.0 135:29.0 142:33.0 143:88.0 147:3295.0 148:560.0 149:319.0 155:12.0 157:214.0 159:20.0 163:58.0 169:22.0 171:40.0 175:99.0 182:58.0 189:476.0 190:74.0 191:333.0 192:19.0 193:15.0 203:146.0 204:368.0 205:1143.0 206:235.0 207:58.0 208:31.0 213:9.0 217:3381.0 218:764.0 219:285.0 220:63.0 221:24.0 222:29.0 229:15.0 230:5.0 243:159.0 244:12.0 254:42.0 273:1.0 277:63.0 278:38.0 279:15.0 284:7.0 288:7.0 290:3.0 291:26.0 295:20.0 307:483.0 308:139.0 309:50.0 310:29.0 317:31.0 318:23.0 319:361.0 320:75.0 332:39.0 340:1.0 366:24.0 418:5.0 423:1.0 424:12.0 449:5.0 456:24.0 465:15.0 467:3.0 472:7.0 499:3.0
xanthine	701688	353	1188	C00385	1669	85:2517.0 86:3710.0 87:2079.0 88:382.0 89:398.0 90:80.0 91:121.0 92:294.0 93:389.0 94:217.0 95:887.0 96:502.0 97:447.0 98:2556.0 99:3280.0 100:20394.0 101:2912.0 102:1806.0 103:2337.0 104:350.0 105:1446.0 106:113.0 107:15.0 108:151.0 109:225.0 110:796.0 111:2460.0 112:928.0 113:1375.0 114:1007.0 115:2460.0 116:1524.0 117:4430.0 118:716.0 119:955.0 120:203.0 121:149.0 122:214.0 123:385.0 124:753.0 125:1299.0 126:927.0 127:713.0 128:2133.0 129:570.0 130:2669.0 131:17683.0 132:4507.0 133:9141.0 134:902.0 135:654.0 136:317.0 137:441.0 138:525.0 139:911.0 140:685.0 141:1032.0 142:1839.0 143:1189.0 144:1769.0 145:616.0 146:309.0 147:84747.0 148:13824.0 149:7320.0 150:878.0 151:744.0 152:820.0 153:846.0 154:569.0 155:716.0 156:1197.0 157:2430.0 158:11345.0 159:2439.0 160:1405.0 161:291.0 162:120.0 163:70.0 164:555.0 165:318.0 166:708.0 167:738.0 168:653.0 169:1526.0 170:892.0 171:1982.0 172:2044.0 173:1365.0 174:2816.0 175:583.0 176:255.0 177:155.0 178:451.0 179:306.0 180:690.0 181:1323.0 182:625.0 183:1021.0 184:830.0 185:665.0 186:246.0 187:124.0 188:314.0 189:201.0 190:113.0 191:118.0 192:172.0 193:266.0 194:461.0 195:394.0 196:455.0 197:832.0 198:817.0 199:334.0 200:215.0 201:63.0 202:47.0 203:31.0 204:167.0 205:787.0 206:1099.0 207:789.0 208:613.0 209:498.0 210:743.0 211:589.0 212:251.0 213:64.0 214:219.0 215:112.0 216:56.0 217:96.0 218:145.0 219:194.0 220:462.0 221:1323.0 222:1301.0 223:1229.0 224:983.0 225:547.0 226:281.0 227:208.0 228:106.0 229:77.0 230:44.0 231:56.0 232:97.0 233:15.0 234:67.0 235:410.0 236:1550.0 237:1053.0 238:5251.0 239:1475.0 240:674.0 241:319.0 242:103.0 244:3.0 245:53.0 246:38.0 247:136.0 248:12.0 249:383.0 250:326.0 251:653.0 252:1364.0 253:811.0 254:591.0 255:251.0 256:306.0 257:108.0 259:8.0 260:48.0 261:54.0 262:56.0 263:1232.0 264:341.0 265:5889.0 266:1421.0 267:607.0 268:486.0 269:755.0 270:251.0 271:181.0 272:93.0 273:51.0 274:67.0 275:14.0 276:24.0 277:437.0 278:4264.0 279:13335.0 280:4864.0 281:3735.0 282:997.0 283:538.0 284:211.0 285:94.0 286:59.0 287:83.0 288:27.0 289:9.0 290:7.0 291:44.0 292:36.0 293:652.0 294:16947.0 295:7531.0 296:3125.0 297:797.0 298:263.0 299:77.0 300:79.0 302:54.0 304:6.0 308:30.0 309:152.0 310:369.0 311:818.0 312:371.0 313:142.0 314:55.0 316:18.0 317:35.0 319:21.0 320:37.0 321:12.0 322:49.0 323:114.0 324:148.0 325:192.0 326:1336.0 327:810.0 328:304.0 329:95.0 330:58.0 332:23.0 334:35.0 335:26.0 336:37.0 337:1290.0 338:593.0 339:377.0 340:221.0 341:145.0 342:29.0 343:35.0 347:26.0 348:24.0 349:19.0 350:13.0 351:242.0 352:1176.0 353:49940.0 354:17591.0 355:8417.0 356:1768.0 357:564.0 358:92.0 359:65.0 360:46.0 361:93.0 362:121.0 363:132.0 364:132.0 366:36.0 367:1739.0 368:18993.0 369:6547.0 370:3076.0 371:677.0 372:202.0 373:42.0 374:31.0 377:12.0 378:2.0 385:7.0 388:43.0 390:48.0 391:36.0 393:14.0 398:1.0 403:4.0 404:9.0 406:32.0 409:21.0 422:6.0 424:5.0 425:35.0 437:29.0 438:5.0 439:16.0 455:12.0 457:3.0 459:12.0 471:6.0 476:11.0 487:21.0 493:16.0 496:21.0 500:29.0
valine	313502	144	6287	C00183	3	85:2124.0 86:7630.0 87:1944.0 88:1239.0 89:198.0 90:140.0 92:81.0 94:103.0 95:66.0 96:941.0 97:782.0 98:2720.0 99:1558.0 100:41058.0 101:6555.0 102:3952.0 103:6374.0 104:899.0 105:633.0 110:1390.0 111:263.0 112:2218.0 113:1055.0 114:6510.0 115:2943.0 116:1153.0 117:4102.0 118:1273.0 119:1387.0 120:34.0 121:95.0 122:89.0 123:66.0 124:112.0 125:82.0 126:230.0 128:5308.0 129:3668.0 130:4722.0 131:5210.0 132:8091.0 133:9781.0 134:1607.0 135:73.0 139:40.0 140:117.0 141:133.0 142:2087.0 143:1279.0 144:224917.0 145:29590.0 146:11099.0 147:45446.0 148:7550.0 149:4466.0 150:414.0 155:26.0 156:4524.0 157:783.0 158:944.0 159:1039.0 160:998.0 161:282.0 162:98.0 163:804.0 164:39.0 165:79.0 166:20.0 167:15.0 170:15.0 171:60.0 172:145.0 173:89.0 174:897.0 175:278.0 180:20.0 186:53.0 188:101.0 195:23.0 200:29.0 201:57.0 202:231.0 203:1515.0 204:150.0 205:131.0 212:25.0 214:41.0 215:32.0 216:75.0 218:30778.0 219:7053.0 220:2659.0 221:383.0 222:79.0 224:11.0 227:21.0 228:488.0 240:23.0 246:1200.0 247:282.0 248:110.0 260:54.0 261:24.0 270:21.0 273:18.0 274:30.0 289:16.0 299:18.0 306:21.0 318:28.0 347:15.0 354:36.0 359:23.0 360:23.0 363:25.0 364:19.0 366:27.0 368:18.0 375:23.0 385:25.0 390:17.0 391:26.0 403:18.0 408:28.0 424:15.0 448:14.0 454:21.0 459:17.0 474:16.0 482:20.0 486:21.0 496:31.0
uridine-5-monophosphate	977896	169	6030	C00105	1784	85:180.0 87:474.0 89:3.0 91:30.0 92:6.0 93:69.0 94:19.0 95:28.0 96:179.0 97:341.0 98:88.0 99:1859.0 100:832.0 101:611.0 102:163.0 103:179.0 109:47.0 111:144.0 112:43.0 113:642.0 114:33.0 115:313.0 116:272.0 117:260.0 118:11.0 119:34.0 120:8.0 123:3.0 124:38.0 125:169.0 126:247.0 127:111.0 128:23.0 129:1672.0 130:150.0 131:380.0 132:13.0 133:1055.0 134:73.0 135:313.0 137:161.0 139:17.0 140:299.0 141:249.0 142:394.0 143:465.0 144:3.0 145:52.0 147:2838.0 148:580.0 149:207.0 151:175.0 152:1.0 153:358.0 154:123.0 155:150.0 156:105.0 157:91.0 158:26.0 161:2.0 165:3.0 166:3.0 167:412.0 168:793.0 169:7206.0 170:1072.0 171:880.0 172:103.0 173:40.0 174:34.0 177:35.0 179:36.0 181:170.0 183:246.0 184:223.0 185:829.0 186:136.0 187:50.0 189:3.0 191:106.0 193:162.0 194:6.0 195:60.0 196:377.0 197:169.0 198:9.0 200:5.0 205:14.0 207:369.0 209:187.0 211:1338.0 212:160.0 213:104.0 214:10.0 215:453.0 216:67.0 217:279.0 218:35.0 219:5.0 221:63.0 223:2.0 225:247.0 226:79.0 227:260.0 230:463.0 231:92.0 232:18.0 235:6.0 236:5.0 237:7.0 239:28.0 241:904.0 242:179.0 243:927.0 244:156.0 245:58.0 251:61.0 255:293.0 256:417.0 257:960.0 258:903.0 259:221.0 260:68.0 269:46.0 281:180.0 283:145.0 285:157.0 286:40.0 298:29.0 299:2504.0 300:736.0 301:304.0 302:47.0 310:16.0 311:51.0 312:22.0 313:32.0 314:275.0 315:2444.0 316:568.0 317:254.0 323:59.0 325:20.0 337:44.0 341:35.0 346:1.0 352:1352.0 353:372.0 354:119.0 355:79.0 356:33.0 369:22.0 370:43.0 371:35.0 382:9.0 386:6.0 387:172.0 395:3.0 398:4.0 483:10.0 485:5.0
uridine	861508	217	6029	C00299	14815	85:38.0 86:16.0 87:11.0 88:11.0 89:85.0 91:9.0 92:3.0 93:5.0 94:11.0 95:26.0 97:5.0 99:146.0 100:46.0 101:72.0 103:551.0 104:39.0 105:323.0 107:5.0 109:17.0 110:8.0 111:3.0 112:3.0 113:55.0 114:1.0 115:80.0 116:27.0 117:70.0 118:2.0 119:12.0 121:6.0 122:6.0 125:1.0 127:42.0 129:189.0 130:39.0 131:87.0 132:7.0 133:129.0 134:30.0 135:16.0 136:2.0 137:1.0 138:2.0 140:13.0 141:13.0 142:8.0 143:122.0 145:4.0 146:6.0 147:292.0 148:117.0 149:29.0 152:2.0 153:23.0 154:15.0 155:18.0 157:13.0 161:6.0 163:8.0 165:2.0 167:8.0 168:9.0 169:326.0 170:33.0 171:29.0 172:5.0 173:5.0 174:28.0 175:8.0 179:4.0 180:4.0 183:11.0 184:14.0 185:50.0 186:5.0 187:4.0 188:9.0 189:36.0 191:111.0 192:7.0 193:22.0 197:2.0 200:3.0 202:40.0 203:16.0 204:88.0 205:2.0 206:6.0 207:29.0 208:6.0 211:23.0 213:41.0 215:17.0 216:17.0 217:933.0 218:189.0 219:95.0 222:8.0 223:24.0 224:7.0 225:2.0 226:9.0 227:3.0 228:3.0 229:6.0 230:28.0 231:18.0 232:3.0 233:1.0 235:1.0 237:2.0 239:2.0 240:4.0 242:1.0 243:83.0 244:16.0 245:53.0 247:1.0 249:1.0 250:3.0 253:1.0 257:17.0 258:25.0 259:171.0 260:27.0 261:13.0 262:6.0 263:9.0 265:14.0 267:9.0 269:2.0 271:6.0 276:6.0 278:5.0 279:1.0 280:9.0 281:4.0 282:10.0 283:4.0 284:4.0 289:2.0 294:3.0 299:25.0 301:2.0 302:3.0 304:8.0 310:10.0 311:1.0 312:1.0 314:5.0 315:15.0 316:2.0 317:3.0 322:4.0 324:4.0 325:2.0 326:5.0 329:2.0 330:1.0 331:2.0 333:39.0 334:6.0 335:4.0 336:2.0 337:2.0 338:3.0 339:2.0 341:4.0 343:2.0 346:4.0 348:6.0 351:5.0 357:6.0 363:3.0 364:5.0 367:1.0 368:2.0 369:1.0 370:7.0 372:9.0 374:5.0 375:5.0 377:2.0 378:7.0 379:1.0 381:2.0 385:1.0 386:2.0 387:2.0 392:1.0 393:2.0 394:5.0 396:7.0 397:7.0 403:5.0 406:6.0 408:7.0 410:6.0 412:4.0 413:1.0 415:1.0 417:2.0 418:2.0 419:3.0 422:1.0 425:4.0 429:5.0 431:1.0 433:4.0 435:2.0 436:5.0 437:7.0 438:1.0 442:6.0 443:2.0 446:7.0 448:1.0 450:6.0 451:5.0 454:2.0 457:5.0 460:2.0 461:5.0 463:7.0 464:2.0 465:4.0 467:3.0 474:2.0 478:9.0 481:4.0 489:3.0 491:2.0 492:1.0 493:3.0 494:2.0 499:14.0 500:3.0
uric acid	731038	441	1175	C00366	33210	85:4856.0 86:9020.0 87:4408.0 88:1062.0 89:1050.0 90:204.0 91:153.0 92:381.0 93:399.0 94:335.0 95:743.0 96:628.0 97:867.0 98:4687.0 99:5449.0 100:50252.0 101:6099.0 102:3714.0 103:3425.0 104:525.0 105:1849.0 106:377.0 107:330.0 108:246.0 109:208.0 110:1153.0 111:2888.0 112:1185.0 113:2549.0 114:2894.0 115:4595.0 116:2358.0 117:6729.0 118:1287.0 119:1770.0 120:323.0 121:245.0 122:310.0 123:309.0 124:1100.0 125:1839.0 126:1315.0 127:2460.0 128:1680.0 129:1465.0 130:6099.0 131:25768.0 132:6189.0 133:10168.0 134:1619.0 135:903.0 136:328.0 137:392.0 138:300.0 139:913.0 140:1034.0 141:6893.0 142:2797.0 143:1638.0 144:2318.0 145:1430.0 146:1068.0 147:84560.0 148:14116.0 149:6564.0 150:869.0 151:787.0 152:705.0 153:737.0 154:738.0 155:2010.0 156:2450.0 157:4296.0 158:10530.0 159:2317.0 160:2865.0 161:712.0 162:293.0 163:92.0 164:133.0 165:219.0 166:299.0 167:1064.0 168:1402.0 169:2268.0 170:1315.0 171:7619.0 172:11656.0 173:3255.0 174:7275.0 175:1351.0 176:773.0 177:148.0 178:347.0 179:469.0 180:487.0 181:926.0 182:1837.0 183:2234.0 184:2332.0 185:2102.0 186:849.0 187:662.0 188:2437.0 189:1235.0 190:742.0 191:246.0 192:174.0 193:167.0 194:415.0 195:1562.0 196:696.0 197:1515.0 198:2032.0 199:4849.0 200:1326.0 201:699.0 202:392.0 203:199.0 204:1169.0 205:831.0 206:379.0 207:422.0 208:493.0 209:667.0 210:785.0 211:1008.0 212:562.0 213:1183.0 214:534.0 215:935.0 216:506.0 218:635.0 219:312.0 220:298.0 221:442.0 222:692.0 223:383.0 224:1668.0 225:1073.0 226:783.0 227:519.0 228:319.0 229:470.0 230:592.0 231:521.0 232:696.0 233:261.0 234:241.0 235:160.0 236:399.0 237:302.0 238:1096.0 239:575.0 240:1070.0 241:589.0 242:683.0 243:360.0 244:220.0 245:1572.0 246:539.0 247:268.0 248:204.0 249:146.0 250:240.0 251:739.0 252:1954.0 253:1123.0 254:1014.0 255:528.0 256:524.0 257:308.0 258:179.0 259:141.0 260:134.0 261:36.0 262:75.0 263:133.0 264:192.0 265:402.0 266:587.0 267:1204.0 268:926.0 269:568.0 270:324.0 271:97.0 272:97.0 273:100.0 274:69.0 275:27.0 276:74.0 277:373.0 278:204.0 279:1370.0 280:588.0 281:843.0 282:410.0 283:332.0 284:649.0 285:231.0 286:263.0 287:111.0 288:40.0 289:91.0 290:76.0 291:42.0 292:342.0 293:1364.0 294:1902.0 295:1781.0 296:809.0 297:446.0 298:485.0 299:317.0 300:144.0 301:98.0 302:35.0 303:56.0 304:23.0 307:103.0 308:1134.0 309:861.0 310:1130.0 311:871.0 312:663.0 313:346.0 314:356.0 315:134.0 316:89.0 317:69.0 319:30.0 320:39.0 321:81.0 322:80.0 323:306.0 324:829.0 325:1263.0 326:3566.0 327:1612.0 328:1777.0 329:563.0 330:249.0 331:148.0 332:73.0 333:78.0 334:54.0 335:108.0 336:78.0 337:331.0 338:240.0 339:586.0 340:600.0 341:1055.0 342:560.0 343:277.0 344:116.0 345:35.0 346:4.0 347:14.0 348:47.0 349:73.0 350:231.0 351:1717.0 352:1401.0 353:7295.0 354:2935.0 355:1352.0 356:376.0 357:187.0 358:63.0 359:49.0 360:42.0 361:130.0 362:44.0 363:106.0 364:126.0 365:612.0 366:2274.0 367:13854.0 368:9210.0 369:5207.0 370:2051.0 371:746.0 372:229.0 373:208.0 374:263.0 375:220.0 376:249.0 377:232.0 378:254.0 379:135.0 380:130.0 381:1444.0 382:19198.0 383:10408.0 384:5780.0 385:1930.0 386:618.0 387:192.0 388:72.0 389:19.0 390:52.0 391:41.0 392:47.0 394:67.0 395:8.0 397:140.0 398:101.0 399:195.0 400:201.0 401:123.0 402:91.0 403:123.0 404:85.0 405:52.0 406:118.0 407:58.0 408:99.0 409:111.0 410:57.0 411:324.0 412:234.0 413:272.0 414:309.0 415:278.0 416:205.0 417:127.0 418:77.0 419:59.0 420:80.0 421:73.0 422:71.0 423:58.0 424:176.0 425:850.0 426:636.0 427:374.0 428:199.0 429:132.0 430:64.0 431:16.0 432:88.0 434:55.0 435:42.0 436:77.0 437:100.0 438:226.0 439:578.0 440:6515.0 441:50014.0 442:28812.0 443:14470.0 444:4723.0 445:1373.0 446:504.0 447:306.0 448:265.0 449:275.0 450:324.0 451:290.0 452:337.0 453:246.0 454:623.0 455:6840.0 456:37602.0 457:20048.0 458:9669.0 459:3246.0 460:997.0 461:251.0 462:73.0 463:33.0 464:38.0 465:35.0 466:44.0 467:7.0 478:3.0 482:18.0 483:3.0 499:8.0
urea	336741	189	1176	C00086	104956	85:354.0 86:34.0 87:438.0 88:138.0 99:1367.0 100:751.0 101:329.0 102:154.0 103:84.0 111:95.0 113:152.0 114:164.0 115:218.0 117:145.0 124:18.0 125:18.0 127:65.0 129:41.0 131:350.0 133:124.0 141:72.0 146:324.0 147:5772.0 148:951.0 149:414.0 150:59.0 151:22.0 155:100.0 167:27.0 169:19.0 171:3361.0 172:523.0 173:436.0 174:108.0 175:80.0 178:25.0 181:29.0 182:22.0 186:112.0 187:33.0 188:34.0 189:1925.0 190:324.0 191:146.0 192:49.0 199:19.0 202:25.0 204:60.0 205:26.0 207:36.0 210:21.0 211:45.0 214:27.0 215:15.0 219:34.0 221:30.0 223:25.0 226:38.0 229:27.0 237:20.0 238:20.0 239:27.0 240:29.0 241:22.0 244:19.0 247:20.0 248:33.0 250:50.0 252:17.0 253:18.0 255:15.0 259:23.0 260:23.0 262:18.0 263:30.0 264:24.0 270:29.0 275:18.0 276:26.0 277:21.0 280:21.0 284:50.0 285:21.0 286:21.0 287:41.0 290:22.0 292:18.0 293:30.0 294:34.0 296:27.0 300:33.0 302:9.0 304:27.0 308:28.0 309:31.0 310:15.0 312:44.0 313:18.0 315:14.0 317:24.0 318:12.0 319:30.0 320:21.0 323:43.0 324:17.0 328:29.0 329:21.0 330:22.0 333:21.0 334:15.0 335:31.0 337:20.0 338:20.0 339:35.0 341:17.0 345:25.0 348:16.0 350:25.0 352:20.0 353:25.0 356:17.0 359:18.0 360:19.0 361:25.0 366:17.0 367:28.0 370:22.0 376:19.0 377:38.0 380:24.0 382:20.0 384:36.0 385:16.0 387:15.0 388:22.0 390:26.0 392:44.0 397:17.0 399:21.0 401:19.0 406:25.0 408:24.0 412:24.0 420:33.0 426:38.0 431:27.0 433:22.0 445:38.0 448:15.0 451:27.0 454:18.0 461:30.0 462:19.0 464:20.0 465:22.0 467:17.0 469:28.0 474:23.0 478:22.0 481:35.0 483:25.0 484:17.0 489:30.0 492:22.0 493:16.0
uracil	385816	241	1174	C00106	3023	85:7501.0 86:34329.0 87:5443.0 88:5529.0 89:1245.0 90:1710.0 91:2717.0 92:617.0 93:270.0 94:231.0 95:475.0 96:1929.0 97:2207.0 98:3686.0 99:85531.0 100:33488.0 101:12996.0 102:3481.0 103:1997.0 104:1436.0 105:2735.0 106:983.0 107:414.0 108:869.0 109:2764.0 110:7455.0 111:1656.0 112:1145.0 113:21290.0 114:3514.0 115:2496.0 116:1970.0 117:3949.0 118:6193.0 119:1613.0 120:1089.0 121:286.0 122:287.0 123:180.0 124:463.0 125:388.0 126:21353.0 127:3558.0 128:1520.0 129:2565.0 130:6008.0 131:9016.0 132:2063.0 133:4923.0 134:53532.0 135:6693.0 136:2320.0 137:244.0 138:1045.0 139:483.0 140:2146.0 141:722.0 142:711.0 143:5473.0 144:1293.0 145:274.0 146:707.0 147:44082.0 148:7361.0 149:3707.0 150:446.0 151:343.0 152:74.0 153:1507.0 154:192.0 155:279.0 156:1062.0 157:1435.0 158:1950.0 159:550.0 160:2082.0 161:426.0 162:239.0 163:28.0 164:5.0 165:963.0 166:707.0 167:815.0 168:346.0 169:2125.0 170:1328.0 171:390.0 172:3956.0 173:1236.0 174:13073.0 175:2609.0 176:1102.0 177:129.0 178:1775.0 179:352.0 180:315.0 181:369.0 182:541.0 183:2406.0 184:61964.0 185:8926.0 186:4523.0 187:883.0 188:280.0 189:94.0 190:30.0 192:20.0 193:3.0 194:62.0 195:18.0 196:78.0 197:257.0 198:426.0 199:341.0 200:1005.0 201:333.0 202:94.0 203:177.0 210:8.0 211:527.0 212:349.0 213:215.0 214:126.0 215:44.0 216:22.0 225:576.0 226:133.0 227:3596.0 228:482.0 229:102.0 231:14.0 236:45.0 237:84.0 239:1697.0 240:621.0 241:43850.0 242:9571.0 243:3942.0 244:635.0 245:63.0 246:73.0 247:16.0 248:81.0 249:25.0 250:58.0 252:7.0 253:24.0 254:83.0 255:21510.0 256:17626.0 257:4696.0 258:1568.0 259:291.0 260:142.0 261:22.0 262:3.0 265:72.0 268:4.0 269:56.0 271:20.0 273:26.0 274:44.0 275:9.0 280:169.0 284:25.0 285:11430.0 286:2490.0 287:1051.0 288:171.0 298:49.0 299:150.0 300:456.0 301:64.0 302:51.0 305:17.0 312:46.0 313:15.0 314:41.0 315:20.0 319:3.0 323:7.0 329:6.0 330:11.0 332:6.0 335:8.0 343:10.0 347:27.0 349:32.0 350:20.0 355:136.0 357:28.0 359:21.0 360:18.0 362:9.0 367:1.0 380:15.0 382:44.0 385:6.0 388:21.0 389:14.0 390:5.0 392:12.0 393:1.0 396:2.0 404:8.0 406:34.0 408:20.0 409:31.0 414:9.0 425:8.0 430:9.0 433:20.0 439:1.0 440:21.0 443:4.0 444:16.0 446:16.0 448:12.0 450:14.0 455:7.0 458:58.0 460:6.0 464:6.0 467:15.0 472:7.0 481:21.0 483:12.0 487:8.0 489:2.0 492:19.0 494:8.0 496:15.0 499:6.0
UDP GlcNAc	627437	226	445675	C00043	42230	85:845.0 87:452.0 89:2984.0 90:244.0 91:2420.0 92:340.0 93:2451.0 94:1045.0 96:781.0 97:30.0 98:359.0 99:1727.0 100:2281.0 101:2398.0 102:454.0 103:8088.0 104:552.0 105:1225.0 106:26.0 107:923.0 108:711.0 109:152.0 110:133.0 111:657.0 112:189.0 113:1290.0 114:724.0 115:1580.0 116:2173.0 117:7350.0 118:603.0 119:1034.0 120:3458.0 121:3047.0 122:548.0 124:126.0 125:99.0 126:135.0 128:1479.0 129:6014.0 130:1188.0 131:2247.0 132:413.0 133:5153.0 134:1091.0 135:533.0 136:410.0 137:70.0 138:145.0 139:44.0 140:184.0 141:136.0 142:557.0 143:997.0 144:723.0 145:24.0 147:13614.0 148:1062.0 149:2058.0 150:549.0 151:124.0 152:190.0 154:270.0 155:307.0 156:2774.0 157:1634.0 158:626.0 159:1886.0 160:949.0 161:129.0 162:17.0 163:1075.0 164:63.0 165:48.0 166:82.0 167:7.0 168:1023.0 169:366.0 170:1823.0 171:236.0 172:305.0 173:907.0 174:347.0 175:368.0 177:298.0 178:90.0 179:80.0 181:17.0 182:1006.0 183:335.0 184:890.0 185:280.0 186:142.0 187:98.0 188:146.0 189:3213.0 190:704.0 191:3291.0 192:480.0 193:592.0 194:145.0 195:138.0 196:410.0 197:249.0 198:1089.0 199:116.0 200:262.0 201:443.0 202:805.0 203:1869.0 204:6221.0 205:1649.0 206:553.0 207:323.0 208:28.0 210:263.0 211:571.0 212:100.0 213:35.0 214:1501.0 215:1253.0 216:292.0 217:10494.0 218:4325.0 219:1199.0 220:233.0 222:60.0 224:450.0 225:29.0 226:3121.0 227:469.0 228:109.0 229:291.0 230:682.0 231:2275.0 232:474.0 233:2373.0 234:387.0 235:139.0 236:34.0 237:14.0 238:14.0 239:163.0 240:123.0 241:141.0 242:43.0 243:272.0 244:186.0 245:73.0 246:286.0 247:100.0 248:8.0 255:13.0 256:97.0 257:100.0 258:129.0 259:91.0 262:7.0 265:272.0 266:40.0 270:67.0 271:2.0 272:352.0 273:84.0 274:123.0 275:213.0 276:35.0 280:49.0 284:198.0 285:51.0 286:93.0 287:106.0 288:12.0 290:26.0 291:56.0 296:17.0 298:2.0 300:323.0 301:147.0 303:25.0 305:72.0 306:38.0 308:18.0 314:605.0 315:173.0 316:552.0 317:201.0 318:872.0 319:660.0 320:203.0 321:77.0 322:32.0 325:13.0 326:19.0 329:124.0 330:49.0 331:10.0 340:21.0 341:7.0 342:32.0 356:30.0 358:28.0 362:10.0 385:15.0 388:7.0 394:19.0 404:45.0 411:7.0 419:50.0 457:3.0 460:4.0 497:9.0
tyrosine	671252	218	6057	C00082	16	85:101.0 86:1059.0 87:458.0 89:659.0 90:823.0 91:1849.0 92:215.0 93:210.0 94:46.0 95:258.0 97:226.0 100:19804.0 101:2641.0 102:1366.0 103:1633.0 104:401.0 105:1066.0 107:424.0 113:79.0 115:546.0 116:116.0 117:900.0 118:715.0 119:703.0 120:181.0 121:365.0 123:63.0 124:32.0 125:60.0 128:317.0 129:136.0 130:2787.0 131:1381.0 132:2378.0 133:2406.0 135:1073.0 136:172.0 137:139.0 138:33.0 143:94.0 144:252.0 145:158.0 146:529.0 147:10139.0 148:2430.0 149:2353.0 150:476.0 151:422.0 152:115.0 155:37.0 157:84.0 159:227.0 160:438.0 161:90.0 162:242.0 163:1331.0 164:643.0 165:825.0 166:96.0 169:32.0 172:179.0 174:587.0 175:359.0 176:348.0 177:396.0 178:202.0 179:5455.0 180:1140.0 181:342.0 182:138.0 185:45.0 187:17.0 188:124.0 189:122.0 190:402.0 191:190.0 192:1175.0 193:407.0 194:72.0 195:66.0 196:16.0 197:40.0 202:114.0 203:494.0 204:170.0 206:77.0 207:709.0 208:34.0 209:152.0 210:62.0 212:13.0 216:31.0 218:45967.0 219:8644.0 220:3534.0 221:583.0 222:132.0 223:194.0 227:27.0 233:17.0 234:99.0 235:57.0 237:39.0 243:15.0 245:27.0 249:65.0 250:37.0 252:41.0 254:38.0 257:12.0 259:17.0 261:29.0 263:25.0 264:89.0 265:437.0 266:152.0 270:23.0 274:34.0 278:11.0 279:159.0 280:3024.0 281:509.0 282:52.0 283:76.0 284:7.0 285:27.0 287:28.0 290:38.0 292:141.0 303:18.0 308:31.0 318:26.0 323:43.0 324:39.0 328:22.0 330:21.0 334:25.0 335:30.0 345:20.0 348:7.0 353:42.0 354:686.0 355:345.0 356:187.0 357:73.0 358:53.0 359:18.0 364:52.0 366:59.0 367:39.0 368:41.0 369:20.0 370:17.0 371:40.0 372:25.0 376:41.0 377:30.0 379:22.0 380:36.0 381:55.0 382:278.0 383:92.0 384:26.0 385:40.0 391:21.0 398:10.0 400:21.0 418:43.0 419:35.0 423:25.0 424:41.0 426:26.0 438:53.0 440:18.0 442:36.0 464:34.0 466:24.0 474:19.0 476:15.0 483:16.0 484:13.0
tryptophan	780482	202	6305	C00078	14	86:650.0 87:425.0 89:261.0 100:3562.0 101:1584.0 102:1611.0 103:773.0 104:190.0 113:59.0 114:89.0 115:489.0 118:184.0 119:183.0 127:218.0 130:2243.0 131:264.0 132:923.0 133:652.0 144:250.0 145:420.0 146:217.0 147:2097.0 148:245.0 149:212.0 154:44.0 156:266.0 157:161.0 158:212.0 159:339.0 160:439.0 161:112.0 162:7.0 170:343.0 171:149.0 172:244.0 173:187.0 174:182.0 175:114.0 177:48.0 182:53.0 183:28.0 184:219.0 186:457.0 187:53.0 188:390.0 189:222.0 190:515.0 191:181.0 198:133.0 199:225.0 200:1444.0 201:360.0 202:50950.0 203:10013.0 204:2891.0 205:325.0 206:74.0 215:80.0 218:1837.0 219:230.0 220:101.0 230:420.0 233:23.0 238:22.0 239:30.0 240:24.0 241:38.0 242:41.0 247:44.0 250:35.0 251:30.0 264:60.0 266:15.0 272:45.0 280:28.0 282:40.0 290:39.0 291:2652.0 292:727.0 293:366.0 294:18.0 296:23.0 302:20.0 303:194.0 304:23.0 322:37.0 332:33.0 338:45.0 340:22.0 342:26.0 348:42.0 350:28.0 351:27.0 357:27.0 364:22.0 365:15.0 367:18.0 371:17.0 377:107.0 378:56.0 394:26.0 400:29.0 405:86.0 406:64.0 419:24.0 424:18.0 429:27.0 433:18.0 438:28.0 442:26.0 449:17.0 451:25.0 459:35.0 465:14.0 494:23.0 495:13.0 496:19.0 500:23.0
tocopherol alpha-	1066526	237	638015	C00376	72408	90:27.0 92:61.0 94:13.0 95:202.0 97:63.0 98:7.0 100:8.0 102:11.0 105:100.0 106:8.0 107:81.0 109:83.0 110:13.0 115:126.0 116:36.0 117:56.0 119:239.0 121:60.0 123:23.0 124:17.0 129:110.0 130:20.0 131:100.0 133:28.0 134:20.0 135:16.0 136:70.0 137:19.0 138:6.0 140:7.0 143:39.0 144:13.0 145:77.0 149:98.0 150:21.0 151:15.0 157:16.0 161:50.0 162:24.0 163:79.0 164:58.0 166:25.0 170:8.0 173:39.0 177:10.0 178:40.0 180:31.0 186:12.0 189:41.0 191:139.0 193:110.0 198:15.0 199:10.0 201:18.0 203:74.0 204:34.0 205:109.0 206:41.0 207:366.0 208:149.0 209:103.0 210:21.0 212:16.0 215:7.0 216:3.0 217:15.0 219:73.0 223:130.0 224:86.0 225:45.0 226:13.0 228:1.0 229:15.0 230:28.0 231:39.0 232:44.0 235:128.0 236:1613.0 237:3353.0 238:610.0 239:122.0 240:12.0 245:12.0 246:32.0 247:53.0 248:35.0 249:51.0 250:12.0 251:17.0 254:10.0 257:14.0 261:62.0 262:31.0 263:52.0 264:9.0 265:5.0 266:5.0 275:51.0 276:37.0 277:147.0 280:8.0 285:6.0 288:8.0 290:14.0 291:16.0 295:4.0 319:25.0 320:6.0 326:12.0 327:15.0 328:6.0 332:14.0 334:2.0 336:13.0 337:9.0 338:10.0 339:18.0 343:27.0 348:9.0 350:14.0 351:12.0 355:18.0 357:5.0 358:9.0 360:28.0 361:23.0 363:4.0 364:24.0 365:21.0 366:12.0 367:7.0 370:22.0 373:21.0 374:18.0 379:12.0 380:4.0 381:4.0 383:11.0 385:15.0 386:13.0 388:16.0 391:23.0 395:10.0 396:20.0 397:11.0 398:5.0 399:24.0 402:34.0 403:13.0 404:15.0 405:16.0 406:4.0 408:5.0 410:14.0 411:9.0 412:16.0 415:25.0 416:11.0 417:10.0 428:3.0 434:6.0 437:3.0 438:8.0 444:6.0 446:15.0 451:20.0 457:10.0 458:5.0 463:3.0 465:3.0 467:12.0 468:2.0 470:13.0 471:4.0 475:2.0 479:1.0 480:7.0 484:14.0 485:9.0 486:15.0 487:9.0 492:17.0 493:5.0 494:12.0 495:7.0 497:11.0 498:8.0 500:26.0
thymine	420133	255	1135	C00178	1692	85:666.0 86:403.0 87:19.0 88:154.0 89:59.0 93:39.0 95:146.0 96:167.0 97:1054.0 98:449.0 99:544.0 100:1474.0 101:116.0 102:23.0 105:17.0 106:562.0 107:491.0 108:82.0 109:39.0 110:831.0 111:563.0 112:311.0 113:8547.0 114:897.0 115:368.0 117:358.0 118:32.0 119:29.0 120:1384.0 121:49.0 123:97.0 124:39.0 125:126.0 126:53.0 127:157.0 129:12.0 130:638.0 131:1043.0 132:150.0 133:491.0 134:105.0 136:32.0 138:12.0 139:141.0 140:1749.0 141:240.0 142:107.0 143:162.0 144:100.0 147:5740.0 148:594.0 149:415.0 152:10.0 153:11.0 154:136.0 155:15.0 156:31.0 157:56.0 158:473.0 159:80.0 162:1.0 164:9.0 165:68.0 166:8.0 167:5.0 169:168.0 170:43.0 174:40.0 181:25.0 182:69.0 183:140.0 184:14.0 185:494.0 186:52.0 196:36.0 197:113.0 198:63.0 199:102.0 211:28.0 225:19.0 228:69.0 239:594.0 240:139.0 241:57.0 242:35.0 254:3.0 255:9015.0 256:2108.0 257:800.0 258:145.0 264:10.0 269:50.0 270:2470.0 271:527.0 272:190.0 274:6.0 275:15.0 287:8.0 297:2.0 301:14.0 303:21.0 312:7.0 328:24.0 332:12.0 335:6.0 338:35.0 341:11.0 349:7.0 363:15.0 368:1.0 391:11.0 396:8.0 410:14.0 413:7.0 434:6.0 442:16.0 452:7.0 455:8.0 458:10.0 465:43.0 467:21.0 494:23.0 495:14.0 499:2.0
thymidine-5-phosphate	608111	170	9700	C00364	1810	87:88.0 97:77.0 99:95.0 103:187.0 104:233.0 110:77.0 111:147.0 113:102.0 115:102.0 125:33.0 127:209.0 129:89.0 133:883.0 134:20.0 135:237.0 137:127.0 142:34.0 143:56.0 153:10.0 155:1837.0 156:118.0 157:31.0 167:32.0 169:1843.0 170:2609.0 171:674.0 172:3.0 181:236.0 182:17.0 183:93.0 195:49.0 211:3659.0 212:453.0 213:211.0 225:88.0 227:272.0 243:1085.0 244:156.0 253:39.0 299:908.0 300:108.0 301:47.0 315:341.0 316:22.0 317:13.0
thymidine	349402	170	5789	C00214	87703	85:2128.0 86:315.0 87:993.0 88:296.0 89:761.0 90:170.0 91:199.0 93:88.0 94:143.0 95:637.0 96:198.0 97:555.0 98:401.0 99:2720.0 100:964.0 101:6820.0 102:681.0 103:10367.0 104:790.0 105:668.0 109:307.0 111:3809.0 112:435.0 113:4473.0 114:564.0 115:1105.0 116:667.0 117:787.0 118:65.0 119:288.0 124:34.0 125:1815.0 126:288.0 127:3843.0 128:439.0 129:3217.0 130:471.0 131:1443.0 132:211.0 133:2376.0 134:328.0 137:202.0 138:28.0 139:81.0 140:63.0 141:578.0 142:1137.0 143:1994.0 144:213.0 145:97.0 146:99.0 147:9723.0 148:1575.0 149:989.0 150:116.0 151:217.0 153:123.0 154:65.0 155:21288.0 156:3228.0 157:3465.0 158:336.0 159:26.0 161:30.0 167:99.0 169:20431.0 170:21917.0 171:3726.0 172:658.0 173:100.0 174:38.0 175:26.0 177:61.0 178:40.0 179:63.0 185:18.0 189:271.0 201:39.0 203:35.0 204:21.0 215:125.0 216:35.0 217:534.0 218:131.0 219:36.0 223:17.0 224:22.0 229:15.0 230:116.0 231:33.0 232:32.0 235:36.0 236:26.0 237:15.0 238:22.0 240:70.0 242:34.0 243:22.0 244:46.0 245:130.0 246:48.0 248:23.0 249:30.0 250:18.0 251:33.0 252:29.0 253:36.0 254:24.0 257:21.0 259:48.0 260:45.0 265:29.0 266:27.0 268:35.0 269:61.0 270:22.0 275:28.0 277:19.0 279:25.0 281:41.0 286:23.0 289:23.0 290:15.0 295:13.0 305:33.0 307:25.0 308:34.0 309:25.0 318:37.0 322:16.0 325:13.0 328:29.0 332:29.0 334:39.0 336:14.0 346:19.0 349:25.0 350:19.0 352:22.0 353:31.0 354:24.0 357:17.0 360:15.0 361:19.0 362:26.0 363:27.0 364:20.0 367:17.0 368:19.0 399:14.0 406:13.0 411:19.0 428:20.0 436:23.0 445:23.0 450:31.0 460:19.0 461:17.0 466:26.0 470:13.0 472:25.0 476:17.0 478:39.0 479:14.0 486:27.0 494:14.0 495:28.0 496:34.0 499:18.0
threonine	409568	218	6288	C00188	26	85:1692.0 86:5629.0 87:4799.0 88:907.0 89:613.0 90:123.0 91:125.0 93:55.0 94:68.0 96:272.0 97:242.0 98:1238.0 99:967.0 100:21870.0 101:36969.0 102:6991.0 103:4765.0 104:575.0 105:736.0 106:101.0 111:100.0 112:872.0 113:501.0 114:4912.0 115:4479.0 116:1288.0 117:46070.0 118:5398.0 119:3251.0 120:305.0 121:156.0 126:135.0 128:12161.0 129:12490.0 130:8064.0 131:8458.0 132:8775.0 133:10819.0 134:1884.0 135:880.0 136:136.0 139:19.0 140:219.0 142:282.0 143:216.0 144:1122.0 145:290.0 146:1109.0 147:24341.0 148:4301.0 149:2911.0 150:372.0 151:180.0 154:41.0 155:28.0 156:285.0 157:199.0 158:1106.0 159:1939.0 160:1612.0 161:499.0 162:204.0 163:461.0 164:114.0 165:79.0 166:33.0 167:26.0 170:26.0 171:56.0 172:607.0 173:183.0 174:977.0 175:243.0 176:357.0 177:812.0 178:131.0 179:83.0 180:28.0 181:24.0 186:646.0 187:138.0 188:490.0 189:246.0 190:286.0 191:748.0 192:106.0 193:88.0 195:40.0 199:17.0 200:99.0 201:76.0 202:3553.0 203:4276.0 204:1434.0 205:609.0 206:184.0 210:19.0 213:28.0 214:22.0 216:254.0 217:153.0 218:25039.0 219:23895.0 220:5558.0 221:2134.0 222:393.0 223:162.0 226:30.0 230:534.0 231:169.0 232:206.0 236:18.0 241:20.0 245:34.0 246:24.0 248:164.0 249:47.0 262:14.0 276:84.0 277:33.0 290:40.0 291:5038.0 292:3624.0 293:1318.0 294:374.0 295:33.0 296:46.0 317:13.0 319:22.0 320:510.0 321:149.0 322:69.0 325:24.0 326:13.0 370:15.0 402:19.0 435:21.0 439:18.0 444:16.0 445:15.0 452:17.0 458:22.0 474:14.0
threonic acid	497572	292	5460407	C01620	172	86:78.0 87:500.0 88:136.0 89:1131.0 90:139.0 91:82.0 95:22.0 98:80.0 99:146.0 101:890.0 102:4177.0 103:5003.0 104:619.0 105:374.0 111:46.0 112:15.0 113:201.0 115:359.0 116:115.0 117:5872.0 118:496.0 119:430.0 121:39.0 128:64.0 129:1372.0 130:3055.0 131:1659.0 132:232.0 133:2893.0 134:460.0 135:237.0 136:30.0 141:29.0 143:619.0 144:80.0 145:104.0 147:16627.0 148:2848.0 149:2024.0 152:34.0 157:244.0 161:71.0 162:29.0 163:159.0 164:34.0 165:37.0 171:24.0 173:41.0 175:180.0 176:24.0 177:400.0 178:76.0 184:25.0 185:30.0 189:700.0 190:172.0 191:229.0 192:57.0 193:39.0 203:215.0 204:454.0 205:2260.0 206:388.0 207:395.0 208:72.0 209:29.0 214:15.0 217:2303.0 218:469.0 219:305.0 220:2310.0 221:932.0 222:293.0 223:98.0 224:18.0 229:33.0 231:44.0 234:15.0 242:24.0 243:17.0 245:385.0 246:72.0 254:22.0 265:16.0 277:34.0 279:33.0 281:18.0 290:15.0 291:317.0 292:2910.0 293:822.0 294:204.0 296:29.0 297:20.0 305:68.0 319:223.0 321:78.0 376:19.0 379:47.0 410:52.0 421:21.0 447:20.0 448:17.0 465:13.0 469:21.0 478:30.0 480:29.0
terephthalic acid	612262	295	7489	C06337	46252	93:32.0 97:573.0 99:581.0 100:343.0 103:753.0 104:407.0 105:160.0 110:73.0 113:443.0 114:186.0 127:331.0 135:303.0 136:17.0 140:23.0 141:407.0 142:11.0 148:5.0 150:16.0 155:406.0 165:8.0 169:133.0 170:13.0 171:22.0 177:12.0 178:23.0 181:6.0 183:11.0 193:31.0 194:38.0 198:15.0 199:12.0 201:24.0 202:2.0 203:18.0 204:9.0 210:13.0 211:54.0 212:16.0 214:8.0 216:3.0 221:330.0 222:60.0 230:10.0 237:12.0 239:1.0 243:6.0 251:236.0 252:71.0 253:73.0 254:5.0 257:36.0 260:18.0 273:7.0 279:5.0 282:7.0 287:11.0 289:3.0 290:4.0 294:58.0 295:975.0 296:189.0 297:44.0 298:4.0 300:8.0 301:64.0 302:23.0 304:10.0 308:5.0 309:10.0 310:17.0 313:6.0 314:5.0 315:5.0 318:16.0 321:5.0 322:8.0 331:9.0 338:16.0 341:2.0 346:5.0 348:3.0 350:4.0 357:4.0 361:6.0 365:4.0 366:8.0 368:4.0 374:1.0 375:6.0 378:6.0 381:10.0 382:4.0 383:1.0 384:7.0 386:11.0 387:4.0 388:1.0 392:1.0 393:8.0 395:3.0 398:5.0 400:7.0 403:6.0 408:5.0 410:2.0 417:2.0 419:7.0 421:2.0 425:7.0 434:7.0 437:3.0 442:9.0 443:6.0 444:2.0 446:1.0 449:3.0 454:5.0 456:7.0 458:3.0 459:4.0 464:12.0 466:3.0 469:4.0 470:8.0 472:5.0 473:4.0 479:6.0 483:7.0 485:1.0 496:6.0
taurine	556690	326	1123	C00245	411	86:2130.0 87:334.0 88:217.0 89:78.0 92:47.0 93:57.0 97:88.0 98:93.0 99:119.0 100:4174.0 101:454.0 102:217.0 103:217.0 107:36.0 108:25.0 109:19.0 112:58.0 113:180.0 114:847.0 115:350.0 116:363.0 117:448.0 118:82.0 119:207.0 120:64.0 121:24.0 122:20.0 123:74.0 125:29.0 126:59.0 127:101.0 128:32.0 129:92.0 130:2016.0 131:964.0 132:316.0 133:2858.0 134:422.0 135:269.0 139:20.0 143:41.0 144:51.0 146:193.0 147:7511.0 148:1222.0 149:634.0 150:83.0 152:70.0 153:97.0 154:40.0 155:20.0 158:77.0 160:649.0 161:109.0 162:69.0 163:22.0 165:17.0 170:31.0 172:580.0 173:127.0 174:2470.0 175:412.0 176:155.0 186:17.0 187:44.0 188:1140.0 189:242.0 190:113.0 195:65.0 196:49.0 201:14.0 204:34.0 205:41.0 210:25.0 211:131.0 213:21.0 215:13.0 225:650.0 226:79.0 227:83.0 231:21.0 238:473.0 239:70.0 240:60.0 242:22.0 247:16.0 248:196.0 251:14.0 252:22.0 254:26.0 255:36.0 261:27.0 262:16.0 267:15.0 269:24.0 275:18.0 277:16.0 279:37.0 281:26.0 284:17.0 286:27.0 290:13.0 292:32.0 296:32.0 297:39.0 299:14.0 301:14.0 302:16.0 303:39.0 305:31.0 306:16.0 307:15.0 308:21.0 309:22.0 318:18.0 321:22.0 323:12.0 325:86.0 326:2877.0 327:829.0 328:461.0 329:136.0 330:55.0 332:28.0 334:21.0 335:26.0 336:17.0 337:18.0 342:21.0 343:20.0 347:20.0 354:21.0 355:21.0 356:29.0 363:14.0 364:21.0 369:26.0 371:23.0 372:21.0 376:25.0 378:19.0 379:27.0 380:29.0 381:28.0 382:22.0 385:29.0 387:25.0 388:29.0 391:31.0 392:22.0 394:22.0 395:29.0 396:27.0 397:31.0 401:24.0 403:34.0 404:22.0 405:30.0 406:26.0 407:29.0 408:18.0 416:33.0 417:19.0 418:30.0 420:28.0 421:13.0 423:14.0 426:21.0 427:25.0 428:41.0 429:19.0 430:31.0 433:26.0 435:13.0 436:18.0 438:25.0 439:14.0 440:31.0 441:20.0 442:17.0 445:26.0 447:37.0 451:16.0 453:31.0 454:17.0 456:20.0 457:25.0 458:18.0 459:17.0 461:20.0 462:23.0 463:23.0 464:25.0 465:27.0 467:15.0 468:15.0 469:22.0 472:31.0 474:25.0 477:18.0 481:30.0 483:34.0 485:41.0 486:14.0 490:19.0 491:27.0 492:16.0
tartaric acid	534291	292	444305	C00898	33985	85:786.0 86:260.0 87:1086.0 88:349.0 89:901.0 92:63.0 93:424.0 94:1.0 95:68.0 99:1482.0 100:1220.0 101:976.0 102:12165.0 103:4411.0 104:950.0 105:569.0 106:327.0 108:144.0 109:72.0 110:289.0 111:252.0 112:49.0 113:1630.0 114:165.0 115:50.0 116:707.0 117:1725.0 118:257.0 119:1109.0 120:248.0 121:94.0 122:2.0 123:2.0 124:107.0 125:18.0 126:158.0 127:408.0 129:76.0 130:6556.0 131:6451.0 132:1626.0 133:10176.0 134:1997.0 135:990.0 136:127.0 137:14.0 138:41.0 139:6.0 140:80.0 141:289.0 142:350.0 143:9779.0 144:1166.0 145:584.0 146:58.0 147:66224.0 148:9380.0 149:5900.0 150:583.0 151:279.0 152:106.0 153:70.0 154:197.0 155:133.0 157:360.0 158:3.0 159:258.0 160:121.0 161:152.0 162:6.0 163:1108.0 164:192.0 165:103.0 166:2.0 167:52.0 168:14.0 169:24.0 170:130.0 171:3579.0 172:236.0 173:601.0 175:4833.0 176:638.0 177:525.0 178:57.0 179:30.0 180:19.0 182:2.0 183:52.0 184:648.0 185:246.0 186:177.0 187:142.0 189:19456.0 190:3857.0 191:4256.0 192:599.0 193:384.0 194:15.0 196:31.0 197:10.0 198:130.0 199:97.0 200:5.0 202:86.0 203:99.0 204:1102.0 205:908.0 206:315.0 207:1409.0 208:254.0 209:135.0 212:5.0 214:24.0 215:146.0 217:3077.0 218:658.0 219:13025.0 220:2857.0 221:6795.0 222:1360.0 223:733.0 224:124.0 225:22.0 227:24.0 228:185.0 229:92.0 230:82.0 231:713.0 232:185.0 233:184.0 234:98.0 235:92.0 236:34.0 237:61.0 238:17.0 239:22.0 240:24.0 241:166.0 243:8.0 245:176.0 246:106.0 247:25.0 249:8.0 252:31.0 255:19.0 256:291.0 257:290.0 258:404.0 259:183.0 260:24.0 261:123.0 262:3.0 263:1283.0 264:312.0 265:96.0 266:56.0 267:9.0 268:1.0 269:50.0 270:15.0 271:297.0 272:1.0 273:532.0 274:64.0 275:22.0 277:1538.0 278:469.0 279:518.0 280:89.0 281:166.0 283:48.0 284:9.0 287:4.0 288:1.0 290:14.0 291:83.0 292:15883.0 293:4480.0 294:2387.0 295:474.0 296:145.0 297:62.0 299:20.0 301:46.0 305:4028.0 306:1235.0 307:572.0 308:96.0 310:29.0 312:2.0 313:4.0 314:73.0 315:88.0 316:9.0 319:49.0 320:8.0 321:627.0 322:117.0 323:69.0 324:37.0 325:12.0 327:117.0 328:27.0 329:351.0 330:43.0 331:8.0 333:1839.0 334:512.0 335:271.0 336:46.0 337:40.0 338:11.0 339:17.0 341:50.0 342:56.0 351:407.0 352:185.0 353:92.0 355:117.0 356:40.0 357:35.0 367:311.0 368:134.0 369:86.0 371:1.0 374:29.0 379:73.0 382:42.0 384:52.0 387:49.0 395:94.0 396:35.0 397:28.0 398:10.0 399:29.0 400:15.0 401:60.0 402:7.0 403:5.0 410:3.0 414:7.0 416:69.0 417:15.0 419:25.0 422:33.0 423:1836.0 424:751.0 425:396.0 426:110.0 427:64.0 429:7.0 431:6.0 433:10.0 436:18.0 438:83.0 440:35.0 442:8.0 444:11.0 445:13.0 447:3.0 449:16.0 460:8.0 462:6.0 463:12.0 471:7.0 496:9.0 498:10.0
sucrose	915139	271	5988	C00089	173	85:319.0 87:314.0 88:197.0 89:406.0 91:85.0 92:24.0 94:41.0 97:89.0 99:203.0 100:65.0 101:688.0 102:331.0 103:8357.0 104:731.0 105:421.0 108:21.0 109:428.0 110:53.0 111:276.0 112:52.0 113:277.0 114:83.0 115:331.0 116:305.0 117:1934.0 118:199.0 119:119.0 122:42.0 124:17.0 125:110.0 127:383.0 128:152.0 129:5742.0 130:735.0 131:1008.0 132:97.0 133:1861.0 134:253.0 135:207.0 136:48.0 138:21.0 139:138.0 140:102.0 141:194.0 142:193.0 143:925.0 144:271.0 145:271.0 147:8307.0 148:1465.0 149:1065.0 150:111.0 151:89.0 153:177.0 155:783.0 156:91.0 157:923.0 158:111.0 159:110.0 161:83.0 163:184.0 164:57.0 167:39.0 168:16.0 169:4225.0 170:655.0 171:273.0 172:7.0 173:153.0 174:27.0 175:15.0 177:150.0 178:17.0 181:98.0 182:26.0 183:315.0 185:18.0 187:58.0 188:21.0 189:856.0 190:170.0 191:1130.0 192:155.0 194:24.0 198:24.0 199:78.0 200:51.0 201:109.0 202:38.0 203:218.0 204:709.0 205:552.0 206:174.0 207:148.0 208:52.0 211:21.0 213:20.0 215:248.0 216:95.0 217:6218.0 218:1363.0 219:511.0 220:115.0 221:298.0 222:38.0 223:44.0 224:28.0 226:28.0 227:98.0 228:40.0 229:326.0 230:381.0 231:248.0 232:78.0 233:106.0 234:45.0 235:50.0 238:17.0 239:51.0 241:91.0 243:1186.0 244:335.0 245:322.0 246:29.0 248:22.0 249:30.0 250:24.0 256:8.0 257:361.0 258:103.0 259:142.0 261:34.0 264:24.0 265:67.0 266:57.0 267:53.0 268:18.0 271:1336.0 272:302.0 273:247.0 275:18.0 277:46.0 278:31.0 281:34.0 284:17.0 286:15.0 287:49.0 288:47.0 291:151.0 292:77.0 293:78.0 301:46.0 303:49.0 305:110.0 306:31.0 307:33.0 308:14.0 309:20.0 312:22.0 317:41.0 318:44.0 319:300.0 320:155.0 321:81.0 324:17.0 326:22.0 327:22.0 328:36.0 331:213.0 332:99.0 333:81.0 336:31.0 337:27.0 345:74.0 346:47.0 347:29.0 352:21.0 354:19.0 358:26.0 360:222.0 361:5812.0 362:2033.0 363:748.0 364:239.0 365:89.0 367:34.0 372:18.0 374:16.0 375:24.0 376:15.0 377:50.0 378:7.0 379:20.0 380:30.0 385:10.0 388:15.0 395:20.0 403:13.0 404:15.0 410:26.0 435:42.0 436:34.0 437:517.0 438:285.0 439:139.0 440:55.0 451:127.0 452:107.0 470:16.0 483:17.0 485:14.0 500:15.0
succinic acid	370608	247	1110	C00042	161	85:303.0 87:764.0 88:359.0 89:340.0 91:55.0 92:42.0 95:84.0 98:86.0 99:324.0 101:577.0 102:330.0 103:701.0 104:172.0 105:342.0 106:78.0 107:93.0 111:30.0 113:629.0 114:213.0 115:891.0 116:1231.0 117:1124.0 118:170.0 119:320.0 120:104.0 124:22.0 126:77.0 128:196.0 129:6064.0 130:1045.0 131:1466.0 132:345.0 133:2204.0 135:234.0 136:65.0 137:16.0 138:15.0 142:39.0 143:223.0 145:378.0 147:57887.0 148:9490.0 149:4894.0 150:507.0 151:148.0 152:18.0 153:16.0 155:36.0 156:209.0 157:342.0 158:67.0 160:64.0 161:78.0 162:53.0 163:149.0 164:28.0 170:80.0 171:91.0 172:2182.0 173:1171.0 175:368.0 176:107.0 179:22.0 181:91.0 182:18.0 183:39.0 185:50.0 186:60.0 187:85.0 188:116.0 190:87.0 191:226.0 192:23.0 193:56.0 195:64.0 196:30.0 197:56.0 198:26.0 199:30.0 200:30.0 201:196.0 203:159.0 204:37.0 206:23.0 207:41.0 211:17.0 213:36.0 215:182.0 216:174.0 217:94.0 218:309.0 219:42.0 222:28.0 226:18.0 227:23.0 228:28.0 229:19.0 230:28.0 232:16.0 238:26.0 239:16.0 241:38.0 247:3158.0 248:569.0 249:300.0 250:51.0 251:19.0 256:27.0 259:27.0 261:22.0 262:125.0 264:21.0 267:16.0 268:26.0 270:40.0 272:27.0 278:17.0 279:22.0 280:30.0 281:24.0 284:17.0 287:32.0 288:30.0 290:15.0 291:41.0 292:17.0 296:35.0 308:33.0 310:34.0 313:21.0 314:21.0 315:31.0 316:19.0 325:17.0 326:25.0 327:27.0 330:16.0 331:42.0 332:30.0 335:24.0 336:43.0 340:21.0 343:20.0 346:33.0 347:17.0 348:25.0 350:19.0 351:37.0 352:12.0 356:18.0 364:14.0 369:21.0 371:31.0 372:19.0 374:22.0 375:30.0 376:30.0 378:35.0 379:27.0 383:18.0 387:27.0 390:29.0 391:23.0 392:35.0 397:22.0 398:19.0 399:29.0 400:18.0 406:42.0 409:21.0 410:28.0 413:25.0 414:24.0 415:21.0 416:38.0 417:29.0 418:32.0 419:21.0 420:31.0 421:30.0 422:30.0 423:25.0 424:23.0 425:34.0 426:40.0 429:39.0 431:46.0 432:24.0 434:16.0 435:25.0 436:33.0 437:38.0 438:22.0 439:22.0 440:48.0 441:38.0 442:22.0 443:17.0 444:21.0 445:21.0 446:26.0 447:37.0 448:35.0 449:35.0 450:39.0 451:42.0 453:18.0 455:31.0 457:23.0 458:15.0 459:29.0 461:35.0 462:44.0 463:35.0 464:45.0 465:17.0 466:21.0 468:12.0 469:28.0 472:32.0 473:28.0 477:34.0 478:48.0 480:18.0 484:37.0 486:44.0 488:18.0 489:42.0 490:26.0 491:39.0 492:25.0 493:16.0 494:16.0 496:19.0 497:17.0 499:27.0
succinate semialdehyde	297024	113	1112	C00232	2226	85:2046.0 86:2010.0 87:22.0 88:95.0 89:5734.0 90:577.0 91:1301.0 92:70.0 93:34.0 94:24.0 98:185.0 101:46.0 102:183.0 106:28.0 107:138.0 108:6.0 110:60.0 111:43.0 112:4.0 113:6334.0 114:548.0 115:18.0 116:75.0 117:16.0 118:87.0 119:38.0 120:7.0 127:42.0 128:91.0 129:228.0 130:177.0 131:240.0 132:11.0 135:1.0 137:5.0 139:8.0 142:46.0 143:20.0 145:269.0 147:30.0 149:101.0 152:8.0 154:42.0 155:2.0 156:2626.0 157:577.0 158:158.0 160:108.0 161:4.0 162:12.0 171:6.0 172:14.0 178:4.0 185:47.0 186:8.0 188:33.0 189:11.0 190:8.0 197:5.0 198:2.0 203:18.0 204:85.0 207:10.0 208:3.0 213:11.0 221:11.0 223:3.0 243:14.0 249:20.0 250:1.0 251:1.0 305:4.0 331:28.0 333:14.0 334:5.0 348:14.0 392:12.0 397:17.0 423:25.0 436:12.0 443:9.0 471:9.0 473:18.0 489:1.0
stearic acid	787622	117	5281	C01530	13	85:4191.0 86:1569.0 87:1271.0 88:840.0 89:3341.0 90:339.0 91:1247.0 92:198.0 93:2558.0 94:311.0 95:7043.0 96:882.0 97:6832.0 98:5171.0 99:2925.0 100:405.0 101:1507.0 102:583.0 103:508.0 104:58.0 105:3188.0 106:306.0 107:1125.0 108:164.0 109:2130.0 110:377.0 111:3168.0 112:1361.0 113:512.0 114:158.0 115:1020.0 116:7267.0 117:126653.0 118:11937.0 119:4908.0 120:246.0 121:958.0 122:149.0 123:575.0 124:147.0 125:666.0 126:415.0 127:697.0 128:532.0 129:56778.0 130:7031.0 131:18263.0 132:45805.0 133:9677.0 134:1780.0 135:885.0 136:135.0 137:217.0 138:127.0 139:357.0 140:171.0 141:299.0 142:228.0 143:4038.0 144:541.0 145:27042.0 146:3353.0 147:1102.0 149:168.0 153:150.0 154:324.0 155:367.0 156:77.0 157:1003.0 158:210.0 159:2327.0 160:316.0 161:100.0 162:21.0 163:126.0 167:179.0 168:163.0 169:39.0 170:39.0 171:1933.0 172:324.0 173:547.0 174:348.0 175:66.0 181:175.0 182:62.0 183:67.0 185:2857.0 186:450.0 187:1684.0 188:555.0 189:137.0 193:32.0 195:80.0 199:574.0 200:167.0 201:4684.0 202:727.0 203:171.0 204:30.0 205:26.0 208:27.0 209:84.0 210:132.0 211:53.0 212:21.0 213:548.0 214:123.0 215:604.0 216:130.0 217:63.0 218:32.0 219:59.0 220:41.0 223:267.0 224:47.0 226:24.0 227:613.0 228:154.0 229:217.0 230:96.0 231:37.0 235:40.0 237:91.0 239:28.0 240:27.0 241:660.0 242:183.0 243:514.0 244:216.0 246:26.0 249:19.0 255:363.0 256:97.0 257:916.0 258:226.0 259:59.0 260:25.0 261:31.0 265:29.0 267:25.0 269:151.0 270:23.0 271:336.0 272:128.0 273:38.0 277:28.0 283:144.0 284:58.0 285:135.0 286:40.0 287:36.0 297:744.0 298:287.0 299:297.0 300:86.0 301:31.0 306:25.0 309:39.0 310:41.0 311:122.0 312:95.0 313:776.0 314:252.0 315:107.0 322:14.0 325:52.0 327:116.0 331:32.0 340:708.0 341:11795.0 342:4029.0 343:984.0 344:173.0 346:19.0 356:1056.0 357:347.0 358:130.0 363:31.0 365:20.0 366:14.0 378:28.0 387:12.0 391:12.0 393:18.0 396:30.0 399:28.0 408:16.0 411:23.0 417:13.0 419:19.0 429:26.0 431:40.0 434:17.0 435:25.0 442:26.0 444:38.0 459:20.0 470:30.0 498:17.0 500:21.0
spermidine	792924	144	1102	C00315	1714	86:2249.0 87:97.0 88:90.0 98:50.0 99:209.0 100:1315.0 101:269.0 102:322.0 103:48.0 112:85.0 114:376.0 115:652.0 116:3899.0 117:324.0 118:176.0 123:24.0 126:189.0 128:490.0 129:447.0 130:615.0 131:43.0 132:12.0 140:80.0 142:727.0 144:4737.0 145:505.0 146:609.0 154:339.0 155:8.0 156:1970.0 157:646.0 158:219.0 159:4.0 160:1566.0 161:106.0 162:47.0 168:3.0 170:695.0 171:46.0 172:1272.0 173:230.0 174:2750.0 175:435.0 176:137.0 183:4.0 186:220.0 188:58.0 200:279.0 201:380.0 202:18.0 214:206.0 217:55.0 243:7.0 245:56.0 255:8.0
sorbitol	667922	217	5780	C00794	162	85:588.0 86:704.0 88:1768.0 89:8743.0 90:652.0 91:1094.0 92:168.0 93:127.0 94:89.0 97:2807.0 98:1048.0 99:1610.0 100:506.0 101:5089.0 102:848.0 103:48732.0 104:4923.0 105:2703.0 106:215.0 109:509.0 110:185.0 111:1108.0 112:146.0 113:1262.0 114:181.0 115:2342.0 116:957.0 117:28648.0 118:2694.0 119:2266.0 120:260.0 121:427.0 123:238.0 124:184.0 125:365.0 126:341.0 127:1107.0 129:20376.0 130:3176.0 131:6565.0 132:1009.0 133:14598.0 134:2015.0 135:966.0 136:167.0 137:208.0 138:235.0 139:205.0 140:167.0 141:605.0 142:358.0 143:4717.0 144:494.0 145:966.0 146:281.0 147:69563.0 148:12235.0 149:8372.0 150:559.0 151:534.0 152:185.0 153:407.0 155:923.0 156:304.0 157:13835.0 158:1728.0 159:920.0 161:501.0 162:120.0 163:999.0 164:235.0 165:86.0 166:123.0 167:268.0 168:107.0 169:761.0 170:173.0 172:59.0 173:380.0 174:229.0 175:1331.0 176:290.0 177:778.0 178:211.0 183:1324.0 184:244.0 186:387.0 187:238.0 188:87.0 189:6785.0 190:1762.0 191:6067.0 192:1019.0 193:563.0 194:164.0 195:154.0 196:204.0 197:95.0 198:56.0 200:106.0 201:445.0 202:197.0 203:793.0 204:6829.0 205:30832.0 206:5855.0 207:3196.0 208:471.0 209:153.0 210:40.0 211:37.0 212:28.0 213:336.0 214:403.0 215:418.0 216:171.0 217:30221.0 218:6026.0 219:2710.0 220:460.0 221:1707.0 222:417.0 223:241.0 224:82.0 225:94.0 226:83.0 227:1058.0 228:409.0 229:3000.0 230:905.0 231:2575.0 232:620.0 233:270.0 234:69.0 235:69.0 236:62.0 237:122.0 239:317.0 240:318.0 241:178.0 242:316.0 243:412.0 244:135.0 245:133.0 246:126.0 247:218.0 248:85.0 249:75.0 250:64.0 251:63.0 253:67.0 254:72.0 255:1017.0 256:263.0 257:354.0 258:82.0 259:521.0 260:163.0 261:126.0 262:65.0 263:70.0 264:61.0 265:325.0 266:101.0 267:63.0 268:50.0 269:86.0 271:111.0 273:195.0 275:61.0 276:70.0 277:1234.0 278:623.0 279:305.0 280:104.0 281:69.0 282:43.0 283:21.0 284:36.0 285:18.0 286:35.0 287:39.0 288:63.0 289:50.0 290:54.0 291:1018.0 292:374.0 293:163.0 294:88.0 295:48.0 300:16.0 301:31.0 302:19.0 303:47.0 304:49.0 305:1109.0 306:642.0 307:4062.0 308:1131.0 309:560.0 310:90.0 311:52.0 312:25.0 313:36.0 314:39.0 315:42.0 316:32.0 317:107.0 318:352.0 319:18662.0 320:5651.0 321:2474.0 322:481.0 323:149.0 324:44.0 325:19.0 327:22.0 328:35.0 329:112.0 330:62.0 331:1172.0 332:446.0 333:431.0 334:116.0 335:81.0 337:43.0 338:30.0 342:26.0 343:33.0 344:64.0 345:683.0 346:270.0 347:141.0 348:36.0 349:61.0 350:40.0 351:40.0 352:42.0 353:41.0 354:21.0 355:31.0 356:24.0 358:32.0 359:31.0 360:25.0 361:33.0 362:47.0 363:23.0 365:32.0 366:38.0 367:33.0 368:20.0 369:26.0 372:27.0 374:26.0 376:42.0 377:27.0 378:58.0 379:23.0 381:23.0 382:13.0 383:32.0 385:21.0 387:30.0 389:27.0 391:39.0 392:28.0 393:33.0 394:29.0 395:44.0 396:29.0 398:19.0 399:43.0 401:22.0 402:26.0 404:42.0 405:26.0 406:45.0 407:36.0 408:28.0 409:106.0 410:66.0 411:21.0 416:34.0 418:29.0 419:206.0 420:150.0 421:397.0 422:176.0 423:87.0 424:32.0 425:25.0 426:23.0 427:35.0 428:32.0 429:32.0 430:32.0 431:47.0 432:21.0 433:16.0 434:77.0 435:32.0 439:50.0 440:28.0 441:33.0 442:17.0 447:26.0 448:30.0 450:31.0 451:24.0 452:26.0 453:37.0 455:23.0 456:21.0 457:23.0 458:30.0 459:25.0 462:51.0 465:23.0 467:30.0 468:36.0 469:35.0 470:39.0 473:19.0 474:32.0 475:34.0 476:25.0 477:35.0 478:30.0 479:47.0 480:38.0 481:46.0 483:17.0 484:30.0 485:41.0 486:40.0 487:20.0 489:45.0 491:46.0 496:29.0 497:32.0 498:13.0 500:18.0
shikimic acid	611100	204	8742	C00493	286	85:149.0 87:51.0 89:152.0 90:30.0 91:290.0 92:189.0 93:498.0 94:99.0 95:323.0 96:150.0 97:191.0 98:58.0 99:248.0 100:45.0 101:676.0 103:796.0 104:122.0 105:435.0 107:157.0 108:97.0 109:114.0 111:293.0 112:57.0 113:62.0 114:60.0 115:150.0 116:435.0 117:504.0 118:76.0 119:240.0 121:261.0 122:62.0 123:242.0 125:205.0 126:81.0 128:58.0 131:777.0 132:71.0 133:2652.0 134:351.0 135:280.0 137:3.0 138:27.0 139:53.0 141:337.0 143:44.0 145:48.0 147:8875.0 148:1647.0 149:602.0 150:80.0 151:285.0 152:59.0 153:181.0 155:91.0 156:46.0 157:116.0 158:43.0 159:33.0 160:9.0 161:39.0 162:32.0 163:116.0 165:215.0 166:127.0 167:599.0 168:106.0 169:196.0 171:62.0 172:26.0 173:54.0 175:61.0 176:31.0 177:163.0 178:60.0 179:111.0 180:223.0 181:366.0 182:162.0 183:142.0 184:73.0 186:26.0 187:56.0 188:14.0 189:1393.0 190:353.0 191:657.0 192:158.0 193:561.0 194:120.0 195:371.0 196:78.0 197:95.0 199:52.0 200:56.0 204:20604.0 205:3409.0 206:1363.0 207:196.0 208:27.0 209:125.0 210:59.0 211:53.0 212:47.0 213:51.0 215:124.0 217:149.0 218:42.0 219:28.0 220:23.0 221:162.0 222:35.0 223:167.0 224:85.0 225:38.0 226:40.0 227:71.0 229:99.0 230:56.0 232:85.0 233:38.0 237:43.0 238:16.0 239:162.0 240:71.0 241:129.0 242:44.0 243:201.0 244:85.0 245:41.0 246:36.0 248:17.0 249:33.0 250:52.0 252:28.0 253:109.0 254:579.0 255:795.0 256:284.0 257:155.0 258:109.0 262:12.0 263:19.0 265:72.0 267:229.0 268:23.0 269:104.0 270:32.0 272:15.0 275:20.0 282:267.0 283:96.0 284:22.0 289:22.0 291:13.0 292:19.0 298:15.0 299:19.0 305:86.0 308:32.0 311:24.0 312:51.0 316:31.0 329:60.0 330:51.0 331:125.0 332:60.0 340:27.0 341:50.0 343:58.0 345:14.0 346:10.0 347:37.0 348:32.0 351:22.0 354:19.0 355:35.0 356:128.0 357:362.0 358:136.0 359:57.0 360:40.0 364:33.0 367:38.0 368:17.0 371:10.0 372:281.0 373:92.0 378:26.0 381:14.0 383:16.0 385:25.0 387:24.0 389:37.0 391:28.0 393:37.0 395:36.0 398:28.0 407:42.0 408:17.0 410:25.0 414:12.0 415:21.0 417:30.0 429:38.0 432:29.0 440:39.0 447:51.0 448:61.0 455:24.0 460:14.0 461:45.0 462:15.0 463:59.0 466:23.0 484:22.0 486:34.0 491:36.0 495:17.0 500:20.0
serine	395020	218	5951	C00065	25	85:536.0 86:1604.0 87:945.0 88:1874.0 89:1384.0 90:199.0 91:148.0 95:84.0 97:103.0 98:189.0 99:283.0 100:23226.0 101:3557.0 102:1780.0 103:3612.0 104:267.0 105:217.0 109:46.0 110:192.0 112:43.0 113:186.0 114:2146.0 115:2068.0 116:7090.0 117:3142.0 118:630.0 119:872.0 120:104.0 122:24.0 125:17.0 128:249.0 129:255.0 130:1752.0 131:2506.0 132:2800.0 133:5975.0 134:1177.0 135:499.0 141:90.0 142:206.0 143:121.0 144:668.0 145:32.0 146:414.0 147:14531.0 148:2504.0 149:1227.0 150:126.0 157:40.0 158:390.0 159:310.0 160:296.0 161:122.0 162:43.0 163:590.0 164:121.0 165:70.0 166:84.0 169:7.0 172:402.0 173:143.0 174:860.0 175:147.0 184:25.0 185:40.0 187:24.0 188:5324.0 189:1923.0 190:881.0 191:276.0 195:12.0 197:63.0 202:45.0 203:554.0 204:28685.0 205:5213.0 206:2037.0 207:190.0 208:13.0 216:814.0 217:197.0 218:15869.0 219:2802.0 220:1080.0 221:283.0 222:88.0 231:55.0 242:14.0 246:39.0 263:14.0 265:31.0 267:39.0 278:1032.0 279:303.0 280:81.0 306:362.0 307:69.0 308:81.0 310:24.0 315:34.0 329:13.0 359:32.0 360:29.0 441:16.0 450:22.0 451:17.0 489:25.0 490:9.0 492:26.0 494:28.0 498:18.0 500:20.0
salicylic acid	480699	267	338	C00805	3063	85:285.0 86:220.0 87:2.0 89:1006.0 90:498.0 91:4530.0 92:934.0 93:295.0 94:14.0 95:336.0 96:295.0 98:121.0 99:41.0 100:8.0 102:149.0 103:549.0 104:235.0 105:892.0 106:168.0 107:90.0 108:111.0 109:204.0 111:75.0 112:87.0 115:867.0 116:172.0 117:148.0 118:237.0 119:617.0 120:447.0 121:352.0 122:47.0 123:228.0 124:84.0 126:602.0 128:74.0 129:64.0 130:169.0 131:828.0 132:86.0 133:2119.0 134:461.0 135:4118.0 136:605.0 137:444.0 138:55.0 140:34.0 141:2.0 145:163.0 146:22.0 147:2097.0 148:263.0 149:4505.0 150:808.0 151:1401.0 152:197.0 153:264.0 157:62.0 159:20.0 160:65.0 161:275.0 163:175.0 164:30.0 165:43.0 166:41.0 167:112.0 168:44.0 169:11.0 173:31.0 175:870.0 176:149.0 177:480.0 178:19.0 179:564.0 180:48.0 181:542.0 182:141.0 183:78.0 187:32.0 188:164.0 189:30.0 191:76.0 192:64.0 193:1966.0 194:390.0 195:486.0 196:112.0 198:19.0 200:88.0 202:58.0 204:46.0 205:31.0 207:209.0 208:70.0 209:3738.0 210:801.0 211:423.0 212:142.0 213:41.0 218:66.0 221:201.0 222:28.0 223:60.0 224:64.0 225:197.0 227:52.0 228:32.0 231:39.0 233:282.0 234:29.0 235:159.0 237:72.0 243:11.0 244:25.0 246:41.0 247:55.0 248:3.0 249:1053.0 250:425.0 251:196.0 252:56.0 253:48.0 255:31.0 258:16.0 260:20.0 261:71.0 262:65.0 263:31.0 264:70.0 265:249.0 266:61.0 267:15469.0 268:3535.0 269:1386.0 270:228.0 271:38.0 272:24.0 273:39.0 274:1.0 275:20.0 277:31.0 280:48.0 281:22.0 284:17.0 288:2.0 292:23.0 294:6.0 296:39.0 298:47.0 301:35.0 302:1.0 303:6.0 305:86.0 306:32.0 309:21.0 310:66.0 311:17.0 312:35.0 313:6.0 314:41.0 316:33.0 319:51.0 320:6.0 321:13.0 322:28.0 323:6.0 324:16.0 326:79.0 330:17.0 332:39.0 333:11.0 337:24.0 339:21.0 340:18.0 345:8.0 347:4.0 352:27.0 354:8.0 355:42.0 358:29.0 359:19.0 360:14.0 361:53.0 363:43.0 365:12.0 367:29.0 371:18.0 372:17.0 374:19.0 375:44.0 382:31.0 383:4.0 385:19.0 386:8.0 390:4.0 392:21.0 396:40.0 397:3.0 398:26.0 399:13.0 401:21.0 402:5.0 403:28.0 404:6.0 405:21.0 406:23.0 407:8.0 408:35.0 410:107.0 412:40.0 413:34.0 415:29.0 417:13.0 418:34.0 419:11.0 420:32.0 421:19.0 422:17.0 423:7.0 424:22.0 425:32.0 430:97.0 433:89.0 435:76.0 437:15.0 438:53.0 440:84.0 441:13.0 443:8.0 444:58.0 446:31.0 447:6.0 448:25.0 449:47.0 450:65.0 453:32.0 455:35.0 457:14.0 459:21.0 460:13.0 461:4.0 463:52.0 464:32.0 465:20.0 466:1.0 469:55.0 470:47.0 471:48.0 474:19.0 476:21.0 477:16.0 479:3.0 481:37.0 482:17.0 483:39.0 484:34.0 486:41.0 488:24.0 493:46.0 494:6.0 498:32.0 499:55.0
salicylaldehyde	406586	193	6998	C06202	31381	87:65.0 88:27.0 91:2744.0 92:52.0 93:36.0 96:138.0 106:52.0 116:33.0 119:4401.0 120:166.0 121:90.0 122:22.0 131:176.0 147:3598.0 148:313.0 149:2954.0 150:336.0 161:43.0 163:81.0 165:50.0 177:40.0 191:84.0 193:3524.0 194:513.0 195:154.0 207:198.0 208:407.0 215:48.0 221:2397.0 222:521.0 223:306.0 224:98.0 225:11.0 249:78.0 251:65.0 254:26.0 255:54.0 264:27.0 267:587.0 268:77.0 269:124.0 281:629.0 282:178.0 285:48.0 286:39.0 287:33.0 290:32.0 295:60.0 297:26.0 302:9.0 303:28.0 305:52.0 306:11.0 318:57.0 323:37.0 340:28.0 341:52.0 346:51.0 353:49.0 355:269.0 356:26.0 357:65.0 360:32.0 367:35.0 370:34.0 383:42.0 384:46.0 386:30.0 388:49.0 392:63.0 411:11.0 418:7.0 429:30.0 433:43.0 442:49.0 448:31.0 463:30.0 465:18.0 491:12.0
saccharic acid	699211	333	33037	C00818	11214	85:376.0 86:223.0 87:56.0 89:377.0 90:30.0 91:59.0 93:137.0 94:112.0 95:140.0 99:663.0 100:177.0 101:426.0 102:1251.0 103:1710.0 104:173.0 105:104.0 106:11.0 108:89.0 110:106.0 111:181.0 112:63.0 113:312.0 114:10.0 115:253.0 116:35.0 117:1458.0 118:146.0 119:195.0 121:344.0 123:7.0 124:91.0 127:309.0 129:1394.0 130:600.0 131:1538.0 132:485.0 133:2043.0 134:499.0 135:122.0 138:17.0 139:23.0 140:81.0 141:149.0 143:3044.0 144:276.0 145:316.0 147:11913.0 148:1649.0 149:1383.0 150:224.0 151:65.0 152:26.0 155:42.0 156:105.0 157:300.0 158:37.0 159:125.0 160:188.0 161:43.0 163:36.0 168:44.0 169:105.0 171:1107.0 172:153.0 173:90.0 174:26.0 175:161.0 177:3.0 180:1.0 183:72.0 184:26.0 185:92.0 186:24.0 187:193.0 188:27.0 189:1990.0 190:418.0 191:701.0 192:53.0 196:40.0 198:32.0 199:106.0 201:154.0 203:24.0 205:736.0 206:83.0 207:329.0 208:19.0 211:75.0 212:45.0 213:56.0 214:86.0 215:292.0 216:80.0 217:2408.0 218:847.0 219:1061.0 220:53.0 221:1019.0 222:256.0 223:112.0 224:40.0 227:3.0 228:3.0 229:239.0 230:141.0 231:207.0 232:73.0 239:38.0 242:14.0 243:379.0 244:114.0 245:240.0 246:57.0 247:60.0 257:108.0 258:39.0 259:50.0 261:87.0 263:38.0 266:37.0 267:20.0 268:1.0 271:9.0 272:50.0 273:98.0 274:14.0 275:29.0 276:38.0 277:842.0 278:211.0 279:96.0 280:2.0 282:78.0 285:21.0 287:6.0 288:3.0 291:300.0 292:3043.0 293:825.0 294:462.0 295:47.0 300:2.0 304:31.0 305:1342.0 306:460.0 307:289.0 308:56.0 313:131.0 314:8.0 315:54.0 318:13.0 319:163.0 320:67.0 321:108.0 323:35.0 324:1.0 325:5.0 326:13.0 330:11.0 331:20.0 332:148.0 333:7260.0 334:2452.0 335:1196.0 336:220.0 337:32.0 338:1.0 342:134.0 343:16.0 345:219.0 346:57.0 347:24.0 353:14.0 354:30.0 356:31.0 357:5.0 358:38.0 359:37.0 360:19.0 367:7.0 370:42.0 371:36.0 373:358.0 374:113.0 375:90.0 376:6.0 377:14.0 379:65.0 380:40.0 392:11.0 393:334.0 394:58.0 395:41.0 404:12.0 407:2.0 408:23.0 411:87.0 416:36.0 419:206.0 420:34.0 423:301.0 424:157.0 425:112.0 426:5.0 431:11.0 435:177.0 436:26.0 437:5.0 444:186.0 445:129.0 446:53.0 447:162.0 448:83.0 449:81.0 459:92.0 461:5.0 463:20.0 465:3.0 475:10.0 495:18.0
ribose-5-phosphate	731096	315	439167	C00117	84602	85:1631.0 86:589.0 87:1362.0 88:598.0 89:8723.0 90:615.0 91:326.0 92:182.0 94:554.0 95:197.0 97:34.0 98:838.0 99:1498.0 100:1658.0 101:9313.0 102:1341.0 103:3554.0 104:521.0 105:3388.0 106:83.0 107:147.0 109:173.0 110:117.0 111:586.0 112:653.0 113:1408.0 114:1292.0 115:2658.0 116:2889.0 117:3215.0 118:506.0 119:1346.0 120:225.0 121:627.0 122:110.0 123:236.0 124:132.0 125:200.0 126:1590.0 127:1081.0 128:758.0 129:14737.0 130:3734.0 131:3761.0 132:723.0 133:11294.0 134:1621.0 135:2550.0 136:278.0 137:771.0 138:179.0 139:161.0 140:216.0 141:330.0 142:683.0 143:1476.0 144:332.0 145:685.0 147:19944.0 148:2901.0 149:2864.0 150:472.0 151:962.0 152:252.0 153:227.0 154:203.0 155:168.0 156:376.0 157:725.0 158:5042.0 159:1086.0 160:5276.0 161:1305.0 162:363.0 163:1290.0 164:213.0 165:336.0 166:128.0 167:347.0 168:1243.0 169:461.0 170:239.0 171:78.0 172:216.0 173:786.0 174:778.0 175:261.0 176:94.0 177:251.0 178:33.0 179:275.0 180:84.0 181:972.0 182:273.0 183:413.0 184:487.0 185:174.0 186:102.0 187:139.0 188:81.0 189:1240.0 190:285.0 191:1540.0 192:311.0 193:1254.0 194:246.0 195:1248.0 196:178.0 197:333.0 198:875.0 199:170.0 200:756.0 201:278.0 202:193.0 203:353.0 204:796.0 205:1295.0 206:316.0 207:1911.0 208:380.0 209:271.0 210:151.0 211:6632.0 212:824.0 213:496.0 214:248.0 215:484.0 216:776.0 217:15888.0 218:3324.0 219:1038.0 220:257.0 221:276.0 223:53.0 224:29.0 225:1861.0 226:310.0 227:1510.0 228:268.0 229:247.0 230:205.0 231:364.0 232:137.0 233:75.0 234:44.0 237:29.0 239:44.0 240:119.0 241:312.0 242:145.0 243:184.0 244:169.0 245:103.0 246:150.0 247:63.0 248:40.0 249:37.0 251:35.0 253:467.0 254:121.0 255:246.0 256:654.0 257:321.0 258:213.0 259:83.0 260:62.0 261:18.0 262:76.0 267:74.0 269:321.0 270:62.0 271:65.0 272:791.0 273:270.0 274:273.0 275:44.0 276:18.0 281:46.0 283:538.0 284:177.0 285:583.0 286:164.0 287:154.0 288:174.0 289:36.0 290:65.0 291:56.0 293:22.0 297:50.0 298:432.0 299:14065.0 300:4121.0 301:2102.0 302:272.0 303:109.0 304:47.0 305:122.0 306:68.0 307:61.0 308:59.0 309:82.0 310:66.0 311:56.0 313:253.0 314:890.0 315:18477.0 316:4909.0 317:2574.0 318:481.0 319:218.0 320:46.0 327:64.0 328:309.0 329:99.0 330:139.0 331:179.0 332:84.0 333:37.0 340:15.0 341:606.0 342:231.0 343:116.0 344:41.0 355:31.0 356:108.0 357:2038.0 358:677.0 359:296.0 360:68.0 362:246.0 363:117.0 364:72.0 368:20.0 371:69.0 372:73.0 373:407.0 374:163.0 375:59.0 376:18.0 377:18.0 384:22.0 385:49.0 386:81.0 387:507.0 388:255.0 389:217.0 390:75.0 391:29.0 392:23.0 401:15.0 402:132.0 403:1140.0 404:494.0 405:220.0 406:78.0 407:29.0 409:8.0 412:12.0 415:27.0 417:23.0 419:12.0 424:11.0 425:12.0 429:24.0 430:24.0 431:95.0 432:63.0 438:17.0 441:19.0 458:141.0 459:891.0 460:355.0 461:273.0 462:59.0 463:25.0 464:13.0 465:22.0 473:11.0 482:25.0 489:19.0 492:11.0 497:11.0 499:16.0
ribose	553078	217	5779	C00121	125857	86:256.0 88:77.0 89:2341.0 90:204.0 100:1244.0 102:397.0 103:25101.0 104:1858.0 105:1542.0 106:124.0 108:202.0 114:250.0 115:266.0 116:1750.0 117:824.0 118:141.0 119:131.0 125:92.0 128:189.0 130:320.0 131:658.0 132:835.0 133:1894.0 134:477.0 136:515.0 137:128.0 139:82.0 140:98.0 141:460.0 145:269.0 146:79.0 147:4568.0 148:451.0 153:48.0 158:165.0 159:162.0 160:1561.0 161:254.0 162:96.0 163:46.0 164:51.0 165:34.0 168:56.0 172:155.0 174:132.0 175:76.0 178:50.0 188:322.0 189:2784.0 190:337.0 191:329.0 193:31.0 198:97.0 200:81.0 201:83.0 202:59.0 207:64.0 216:158.0 218:175.0 219:158.0 221:60.0 231:435.0 232:126.0 233:441.0 234:43.0 235:30.0 258:124.0 259:40.0 262:186.0 272:44.0 274:83.0 277:453.0 278:157.0 279:84.0 287:21.0 291:71.0 303:22.0 305:53.0 306:60.0 307:2269.0 308:661.0 309:268.0 310:43.0 333:39.0 334:104.0 362:40.0 424:16.0 432:16.0
ribonic acid	599680	292	5460677	C01685	1683	85:227.0 86:88.0 87:301.0 88:189.0 89:1714.0 90:165.0 92:75.0 93:53.0 98:147.0 99:481.0 100:3713.0 101:2153.0 102:4583.0 103:29677.0 104:2992.0 105:1403.0 110:143.0 111:44.0 112:63.0 113:396.0 114:93.0 115:933.0 116:854.0 117:9305.0 118:835.0 119:929.0 120:54.0 121:81.0 123:25.0 124:12.0 125:90.0 126:47.0 127:17.0 128:340.0 129:5571.0 130:3345.0 131:4080.0 132:826.0 133:8223.0 134:602.0 135:562.0 137:46.0 139:39.0 140:90.0 141:1032.0 142:367.0 143:4590.0 144:757.0 145:631.0 146:187.0 147:40238.0 148:5927.0 149:4310.0 150:456.0 151:211.0 152:3764.0 153:254.0 154:5.0 155:440.0 156:1116.0 157:2145.0 158:390.0 159:275.0 160:76.0 161:315.0 163:366.0 164:27.0 167:11.0 168:28.0 169:367.0 170:81.0 171:464.0 172:106.0 173:204.0 175:855.0 176:124.0 177:276.0 178:30.0 180:206.0 181:4.0 182:13.0 184:41.0 185:245.0 187:113.0 189:6811.0 190:1887.0 191:3135.0 192:378.0 193:214.0 194:8.0 196:26.0 199:45.0 201:322.0 202:97.0 203:463.0 204:4503.0 205:5434.0 206:1243.0 207:1278.0 208:287.0 212:19.0 215:438.0 216:90.0 217:19086.0 218:4004.0 219:2380.0 220:491.0 221:2259.0 222:441.0 223:216.0 226:21.0 228:33.0 229:322.0 230:129.0 231:533.0 232:109.0 233:105.0 234:47.0 236:5.0 241:1.0 243:59.0 244:15.0 245:275.0 246:137.0 247:35.0 248:5.0 249:28.0 253:25.0 256:42.0 257:1488.0 258:307.0 259:224.0 260:48.0 261:44.0 263:32.0 264:25.0 265:259.0 266:3.0 267:58.0 270:10.0 271:14.0 275:15.0 276:20.0 277:1814.0 278:581.0 279:322.0 280:11.0 282:12.0 285:10.0 288:3.0 289:8.0 291:439.0 292:17082.0 293:5121.0 294:2542.0 295:464.0 296:127.0 300:2.0 302:40.0 303:224.0 304:137.0 305:2932.0 306:977.0 307:2769.0 308:774.0 309:318.0 310:63.0 311:7.0 313:41.0 314:16.0 316:31.0 319:428.0 320:140.0 321:217.0 323:11.0 327:17.0 328:4.0 330:1.0 331:1193.0 332:400.0 333:2522.0 334:657.0 335:311.0 336:70.0 337:32.0 338:1.0 339:12.0 341:35.0 346:55.0 347:166.0 348:22.0 352:9.0 356:18.0 362:6.0 369:1.0 372:13.0 377:16.0 378:20.0 379:192.0 380:31.0 381:68.0 385:1.0 387:41.0 389:2.0 391:10.0 393:214.0 394:125.0 396:13.0 401:26.0 402:14.0 415:15.0 421:408.0 422:154.0 423:139.0 424:17.0 429:2.0 431:7.0 436:13.0 438:8.0 443:2.0 444:16.0 445:10.0 459:86.0 460:13.0 461:2.0 462:47.0 465:22.0 467:16.0 468:1.0 488:32.0
ribitol	575497	217	827	C00474	7362	85:248.0 86:43.0 87:65.0 88:62.0 89:897.0 90:98.0 92:20.0 95:22.0 99:113.0 100:224.0 101:774.0 102:28.0 103:6316.0 104:624.0 105:415.0 107:35.0 109:433.0 110:374.0 111:71.0 112:1.0 113:273.0 114:80.0 115:19.0 116:274.0 117:7478.0 118:701.0 119:297.0 126:2.0 128:44.0 129:3713.0 130:874.0 131:1633.0 132:149.0 133:1838.0 134:180.0 135:129.0 136:1.0 140:1.0 142:152.0 143:478.0 145:98.0 146:11.0 147:7935.0 148:1218.0 149:625.0 154:14.0 155:280.0 156:23.0 157:910.0 158:67.0 159:46.0 160:682.0 161:214.0 163:96.0 168:28.0 170:214.0 171:249.0 172:78.0 175:33.0 177:60.0 184:254.0 186:170.0 187:30.0 188:1.0 189:1390.0 190:239.0 191:807.0 192:173.0 199:50.0 201:192.0 203:352.0 204:1100.0 205:2227.0 206:389.0 207:148.0 211:6.0 216:1.0 217:5564.0 218:1297.0 219:501.0 220:120.0 221:136.0 223:16.0 224:117.0 228:1.0 229:104.0 230:12.0 231:45.0 233:16.0 234:26.0 239:7.0 243:251.0 244:59.0 245:4.0 246:1.0 251:165.0 277:387.0 278:34.0 279:2.0 297:7.0 299:30.0 302:17.0 305:61.0 307:471.0 308:88.0 309:19.0 317:81.0 319:760.0 320:194.0 321:144.0 322:1.0 332:138.0 349:39.0
raffinose	1120886	361	439242	C00492	3190	85:33.0 86:57.0 89:118.0 97:9.0 99:119.0 101:141.0 103:2918.0 104:200.0 109:167.0 113:29.0 115:39.0 116:161.0 117:590.0 119:118.0 127:20.0 129:3784.0 130:442.0 131:389.0 132:40.0 133:755.0 139:34.0 141:95.0 142:74.0 143:448.0 144:16.0 145:42.0 147:2732.0 148:202.0 149:232.0 150:2.0 153:60.0 155:407.0 156:35.0 157:463.0 158:48.0 159:18.0 161:17.0 162:10.0 163:129.0 169:2550.0 170:335.0 171:169.0 173:16.0 175:16.0 176:9.0 177:47.0 183:139.0 187:22.0 189:460.0 190:124.0 191:1240.0 192:156.0 193:279.0 199:126.0 201:69.0 203:142.0 204:2972.0 205:718.0 206:169.0 207:660.0 208:195.0 209:20.0 215:119.0 216:26.0 217:3764.0 218:881.0 219:323.0 220:12.0 221:196.0 222:14.0 229:132.0 230:216.0 231:139.0 232:98.0 243:746.0 244:120.0 245:188.0 246:21.0 251:50.0 252:38.0 257:109.0 259:33.0 267:57.0 269:3.0 271:759.0 272:96.0 273:117.0 275:14.0 281:115.0 283:60.0 289:15.0 291:66.0 293:16.0 294:7.0 305:51.0 313:9.0 317:6.0 319:155.0 320:74.0 322:1.0 325:10.0 327:112.0 331:56.0 333:31.0 341:47.0 345:9.0 355:13.0 361:3329.0 362:1057.0 363:522.0 364:42.0 433:5.0 437:412.0 438:132.0 439:69.0 451:206.0 452:56.0 453:36.0 489:9.0
pyruvic acid	213805	174	1060	C00022	5864	86:84.0 89:7609.0 90:671.0 91:90.0 98:6.0 99:2390.0 100:1953.0 101:104.0 110:81.0 114:306.0 115:3591.0 116:333.0 117:2148.0 118:94.0 130:355.0 136:66.0 143:134.0 144:3.0 148:23.0 158:709.0 159:180.0 160:5.0 173:5.0 174:9542.0 175:1130.0 176:403.0 184:60.0 189:139.0 191:166.0 199:33.0 208:6.0 209:2.0 210:1.0 228:22.0 247:1.0 251:9.0 296:2.0 297:1.0 318:6.0 322:9.0 425:10.0
pyrophosphate	327517	110	1023	C00013	88181	85:59.0 86:424.0 88:3996.0 89:1099.0 90:521.0 91:2992.0 92:542.0 93:556.0 94:176.0 95:7.0 98:486.0 99:22.0 100:644.0 101:127.0 102:321.0 103:699.0 104:316.0 105:878.0 106:720.0 107:2656.0 108:521.0 109:1698.0 110:90323.0 111:3584.0 113:74.0 114:44.0 115:1098.0 116:32.0 117:291.0 118:249.0 119:1334.0 120:399.0 121:1855.0 122:318.0 123:1116.0 124:21.0 125:322.0 131:709.0 132:202.0 133:5324.0 134:2658.0 135:4880.0 136:799.0 137:6154.0 138:647.0 139:743.0 140:282.0 141:256.0 142:44.0 143:64.0 147:2214.0 148:31.0 149:472.0 150:244.0 151:1513.0 152:174.0 153:243.0 154:62.0 155:329.0 157:30.0 159:1066.0 160:155.0 161:169.0 162:4.0 163:771.0 164:234.0 165:333.0 166:81.0 167:269.0 168:44.0 169:254.0 170:38.0 172:207.0 174:69.0 175:10.0 177:129.0 178:92.0 179:199.0 180:5.0 181:909.0 182:162.0 183:227.0 184:488.0 185:162.0 186:52.0 187:46.0 188:12.0 189:7.0 190:6.0 193:35.0 194:661.0 195:1742.0 196:252.0 197:324.0 198:48.0 199:289.0 200:6.0 201:26.0 209:486.0 210:432.0 211:5501.0 212:852.0 213:510.0 214:47.0 215:118.0 216:562.0 217:55.0 218:16.0 220:23.0 223:9.0 224:36.0 225:2749.0 226:562.0 227:3063.0 228:664.0 229:897.0 230:167.0 231:96.0 236:19.0 238:471.0 239:108.0 240:249.0 241:6516.0 242:1162.0 243:900.0 244:222.0 245:33.0 246:18.0 248:20.0 250:7.0 254:745.0 255:195.0 256:884.0 257:163.0 258:87.0 260:3.0 261:4.0 263:3.0 266:33.0 276:17.0 282:591.0 283:33.0 288:5.0 299:3.0 305:8.0 315:2.0 331:60.0 332:16.0 335:193.0 336:7556.0 337:1641.0 338:803.0 339:121.0 347:6.0 351:317.0 352:85.0 353:19.0 374:3.0 398:4.0 401:6.0 403:11.0 410:12.0 414:12.0 438:8.0 452:5.0 457:2.0 460:2.0 470:8.0 478:3.0 481:1.0 488:4.0
pyridoxal-5-phosphate	825754	219	1051	C00018	2550	85:121.0 86:151.0 87:95.0 89:490.0 92:50.0 93:112.0 94:71.0 95:48.0 98:3.0 99:33.0 101:334.0 103:1039.0 104:41.0 105:53.0 106:71.0 108:17.0 109:75.0 110:61.0 111:50.0 113:43.0 114:19.0 115:106.0 116:225.0 117:564.0 118:156.0 119:400.0 120:308.0 121:98.0 122:21.0 123:67.0 127:125.0 129:656.0 131:585.0 133:994.0 134:219.0 135:190.0 136:63.0 137:92.0 143:133.0 145:410.0 146:66.0 147:2341.0 148:11.0 149:325.0 150:198.0 151:114.0 152:18.0 153:75.0 155:41.0 156:1601.0 157:401.0 158:144.0 159:57.0 160:23.0 161:41.0 162:19.0 164:154.0 169:123.0 170:21.0 174:39.0 176:85.0 177:126.0 178:298.0 179:83.0 181:130.0 182:30.0 183:114.0 184:77.0 185:6.0 187:12.0 188:1.0 189:293.0 190:72.0 191:677.0 192:218.0 193:175.0 194:10.0 195:100.0 198:4.0 203:116.0 204:607.0 205:1380.0 206:264.0 207:217.0 208:106.0 209:25.0 210:20.0 211:1349.0 212:190.0 213:64.0 217:959.0 218:304.0 219:2686.0 220:998.0 221:295.0 222:78.0 225:215.0 226:60.0 227:151.0 228:44.0 229:13.0 231:88.0 232:4.0 235:87.0 236:55.0 237:159.0 243:1348.0 244:147.0 245:75.0 246:8.0 250:420.0 251:1607.0 252:274.0 253:11.0 257:54.0 259:117.0 260:21.0 270:9.0 272:11.0 273:18.0 274:9.0 278:2.0 279:1.0 285:7.0 289:39.0 290:50.0 292:7.0 293:19.0 295:4.0 296:10.0 298:28.0 299:1271.0 300:205.0 301:163.0 303:1.0 306:18.0 308:19.0 310:7.0 314:77.0 315:631.0 316:200.0 317:48.0 319:34.0 321:15.0 328:7.0 333:11.0 341:49.0 349:46.0 355:25.0 356:16.0 357:154.0 358:9.0 373:27.0 375:28.0 377:3.0 378:20.0 380:8.0 386:13.0 387:481.0 388:162.0 389:86.0 390:8.0 392:10.0 403:4.0 417:1.0 419:8.0 421:6.0 426:46.0 429:58.0 430:5.0 432:13.0 441:30.0 446:20.0 449:6.0 459:13.0 461:166.0 462:39.0 463:3.0 464:7.0 466:4.0 471:25.0 477:13.0 483:18.0 485:3.0 486:1.0 489:16.0 495:28.0 497:26.0 499:7.0
putrescine	588119	174	1045	C00138	21703	85:624.0 86:17614.0 87:1954.0 88:701.0 95:37.0 96:1.0 97:93.0 98:646.0 99:2310.0 100:8640.0 101:1171.0 102:973.0 103:9.0 110:382.0 111:26.0 112:811.0 113:463.0 114:1772.0 115:664.0 116:1599.0 117:894.0 118:197.0 124:16.0 125:39.0 126:2092.0 127:226.0 128:1088.0 129:243.0 130:4521.0 131:1582.0 132:862.0 140:655.0 141:77.0 142:1872.0 143:265.0 144:500.0 145:66.0 146:2422.0 153:32.0 156:175.0 158:658.0 159:41.0 160:306.0 161:249.0 162:38.0 167:11.0 170:321.0 171:88.0 172:4206.0 173:1002.0 174:64169.0 175:12035.0 176:5347.0 177:502.0 178:41.0 184:47.0 185:2.0 186:296.0 187:692.0 188:367.0 189:59.0 197:135.0 198:99.0 199:162.0 200:3458.0 201:589.0 202:310.0 211:2.0 212:60.0 213:29.0 214:4453.0 215:873.0 216:342.0 228:51.0 229:24.0 242:2.0 361:457.0 362:101.0 363:68.0 376:189.0 377:35.0
propane-1,3-diol NIST	214380	177	10442	C02457	282	85:801.0 86:145.0 87:673.0 99:342.0 100:269.0 101:1134.0 102:390.0 103:1442.0 104:191.0 105:263.0 113:55.0 115:7165.0 116:474.0 119:330.0 129:59.0 130:5199.0 131:1969.0 133:1784.0 135:367.0 145:32.0 147:17505.0 148:2962.0 149:1307.0 150:157.0 151:34.0 163:52.0 164:30.0 176:36.0 177:1417.0 178:147.0 179:81.0 180:21.0 183:38.0 186:23.0 192:22.0 201:32.0 203:21.0 205:278.0 213:45.0 227:17.0 231:24.0 235:29.0 241:30.0 251:33.0 269:24.0 279:50.0 286:13.0 353:13.0 356:13.0 371:32.0 374:26.0 379:17.0 391:22.0 396:18.0 405:19.0 406:20.0 417:18.0 419:22.0 435:15.0 436:24.0 446:13.0 500:20.0
proline	364716	142	145742	C00148	8	85:2056.0 86:1998.0 87:940.0 88:328.0 89:338.0 90:51.0 92:149.0 94:210.0 95:311.0 96:577.0 97:573.0 98:1498.0 99:2820.0 100:4125.0 101:1740.0 102:731.0 103:1654.0 104:106.0 105:427.0 106:176.0 107:465.0 108:67.0 109:52.0 110:311.0 111:232.0 112:301.0 113:996.0 114:329.0 115:1985.0 116:429.0 117:1213.0 118:146.0 119:466.0 120:44.0 121:71.0 122:64.0 123:52.0 124:625.0 125:120.0 126:878.0 127:934.0 128:807.0 129:255.0 131:2440.0 132:478.0 133:3064.0 134:570.0 135:94.0 138:158.0 139:151.0 140:2324.0 141:1105.0 142:160084.0 143:21857.0 144:6216.0 145:351.0 147:17915.0 148:2674.0 149:1091.0 150:66.0 152:85.0 154:93.0 156:89.0 158:368.0 159:85.0 160:31.0 166:8.0 168:85.0 169:16.0 170:1512.0 171:205.0 172:283.0 173:95.0 174:94.0 175:649.0 177:23.0 181:51.0 182:29.0 188:19.0 198:37.0 210:19.0 214:104.0 216:5899.0 217:1120.0 218:633.0 219:99.0 230:135.0 240:124.0 242:98.0 244:451.0 245:50.0 246:27.0 255:25.0 257:65.0 258:18.0 259:98.0 344:19.0 381:14.0 389:16.0 433:15.0
pinitol	622466	260	164619	C03844	16544	85:9395.0 86:1247.0 87:3795.0 88:1582.0 89:101591.0 90:8600.0 91:6349.0 92:451.0 93:526.0 94:227.0 95:1533.0 96:175.0 97:1364.0 98:1082.0 99:8159.0 100:1129.0 101:11924.0 102:3254.0 103:78294.0 104:7604.0 105:5939.0 106:408.0 107:576.0 108:301.0 109:3162.0 110:453.0 111:5748.0 112:942.0 113:3906.0 114:782.0 115:5105.0 116:17470.0 117:11099.0 118:1686.0 119:8789.0 120:980.0 121:694.0 122:26.0 123:511.0 124:135.0 125:1071.0 126:454.0 127:4572.0 128:1170.0 129:87537.0 130:9735.0 131:38797.0 132:5617.0 133:129920.0 134:16710.0 135:9102.0 136:754.0 137:526.0 138:109.0 139:962.0 140:301.0 141:1680.0 142:2349.0 143:23890.0 144:4151.0 145:7226.0 146:8952.0 147:230536.0 148:34787.0 149:22811.0 150:2500.0 151:1736.0 152:235.0 153:1575.0 154:559.0 155:3267.0 156:1784.0 157:9843.0 158:1369.0 159:64757.0 160:8439.0 161:6534.0 162:981.0 163:25547.0 164:4100.0 165:2318.0 166:430.0 167:453.0 168:204.0 169:2143.0 170:490.0 171:843.0 172:1922.0 173:2837.0 174:467.0 175:3970.0 176:558.0 177:17928.0 178:3079.0 179:1869.0 180:320.0 181:1348.0 182:408.0 183:979.0 184:133.0 185:3165.0 186:544.0 187:1067.0 188:287.0 189:8851.0 190:8045.0 191:79970.0 192:14144.0 193:6677.0 194:846.0 195:340.0 196:145.0 197:1057.0 198:232.0 199:489.0 200:155.0 201:1125.0 202:197.0 203:5077.0 204:26887.0 205:17549.0 206:4688.0 207:36882.0 208:6467.0 209:3213.0 210:448.0 211:363.0 212:111.0 213:889.0 214:233.0 215:2748.0 216:980.0 217:108708.0 218:22146.0 219:10422.0 220:2034.0 221:10727.0 222:2624.0 223:1505.0 224:277.0 225:169.0 226:76.0 227:489.0 228:334.0 229:836.0 230:4830.0 231:4664.0 232:1121.0 233:22289.0 234:4616.0 235:2668.0 236:379.0 237:510.0 238:92.0 239:941.0 240:177.0 241:344.0 242:307.0 243:5995.0 244:1469.0 245:4922.0 246:1840.0 247:32786.0 248:7184.0 249:3418.0 250:479.0 251:379.0 252:114.0 253:76.0 254:296.0 255:1836.0 256:432.0 257:941.0 258:151.0 259:1422.0 260:81723.0 261:20002.0 262:7817.0 263:1391.0 264:374.0 265:11689.0 266:3035.0 267:1667.0 268:277.0 269:329.0 270:345.0 271:1991.0 272:415.0 273:441.0 274:97.0 275:151.0 276:69.0 277:342.0 278:275.0 279:255.0 280:72.0 281:59.0 282:14.0 283:16.0 284:47.0 285:1856.0 286:517.0 287:628.0 288:154.0 289:138.0 290:82.0 291:3234.0 292:1178.0 293:2162.0 294:573.0 295:387.0 296:70.0 297:54.0 298:9.0 301:106.0 302:101.0 303:336.0 304:1033.0 305:27696.0 306:8655.0 307:4661.0 308:941.0 309:844.0 310:161.0 311:70.0 312:22.0 313:65.0 314:43.0 315:166.0 316:126.0 317:2104.0 318:40629.0 319:14413.0 320:6941.0 321:1662.0 322:461.0 323:117.0 324:37.0 325:25.0 326:13.0 327:201.0 328:174.0 329:341.0 330:175.0 331:872.0 332:440.0 333:318.0 334:358.0 335:2341.0 336:700.0 337:327.0 338:89.0 339:29.0 340:51.0 341:80.0 342:468.0 343:13857.0 344:5095.0 345:4184.0 346:1172.0 347:437.0 348:239.0 349:117.0 350:40.0 356:11.0 357:14.0 358:107.0 359:2547.0 360:988.0 361:921.0 362:218.0 363:111.0 366:37.0 367:2470.0 368:885.0 369:557.0 370:105.0 373:282.0 374:7800.0 375:4989.0 376:2076.0 377:600.0 378:193.0 379:78.0 380:19.0 382:23.0 385:6.0 389:8.0 390:7.0 391:52.0 392:87.0 393:352.0 394:162.0 395:89.0 400:8.0 403:3.0 404:54.0 405:44.0 406:104.0 407:31.0 412:4.0 416:8.0 417:754.0 418:369.0 419:586.0 420:247.0 421:85.0 422:18.0 431:250.0 432:4798.0 433:6249.0 434:3182.0 435:1368.0 436:340.0 437:147.0 438:21.0 448:322.0 449:5265.0 450:2659.0 451:1279.0 452:351.0 453:93.0 454:4.0 458:5.0 464:37.0 465:29.0 466:5.0 467:13.0 479:9.0 480:12.0
phosphoethanolamine	604335	299	1015	C00346	41988	85:4482.0 86:63617.0 87:12014.0 88:3644.0 89:3383.0 90:821.0 91:1349.0 92:430.0 93:340.0 94:5.0 95:45.0 96:789.0 97:261.0 98:2892.0 99:2491.0 100:203982.0 101:23440.0 102:10502.0 103:8600.0 104:1871.0 105:4659.0 106:990.0 107:3114.0 108:204.0 109:543.0 111:145.0 112:388.0 113:3848.0 114:98861.0 115:59768.0 116:15091.0 117:9619.0 118:1800.0 119:8190.0 120:1538.0 121:5493.0 122:606.0 123:1961.0 124:515.0 125:85.0 128:62.0 129:2129.0 130:30382.0 131:14533.0 132:4840.0 133:53920.0 134:6221.0 135:20939.0 136:2565.0 137:8091.0 138:859.0 139:660.0 140:175.0 141:39.0 142:480.0 143:429.0 144:1058.0 145:853.0 146:2326.0 147:19561.0 148:2696.0 149:2350.0 150:593.0 151:6437.0 152:763.0 153:1171.0 154:260.0 155:22.0 156:709.0 157:254.0 158:1418.0 159:387.0 160:419.0 161:351.0 162:167.0 163:1734.0 164:318.0 165:2830.0 166:497.0 167:2413.0 168:318.0 169:281.0 170:660.0 171:361.0 172:122311.0 173:23433.0 174:125344.0 175:23127.0 176:10057.0 177:3022.0 178:1046.0 179:3142.0 180:684.0 181:8784.0 182:1323.0 183:2992.0 184:64.0 185:156.0 186:1906.0 187:11777.0 188:79520.0 189:20208.0 190:8044.0 191:10923.0 192:2705.0 193:16591.0 194:3172.0 195:9027.0 196:1564.0 197:2092.0 198:253.0 199:283.0 200:85.0 201:117.0 202:55.0 203:294.0 204:221.0 205:2997.0 206:768.0 207:14594.0 208:3232.0 209:3098.0 210:2025.0 211:28375.0 212:3741.0 213:2527.0 214:276.0 215:107.0 216:181.0 217:100.0 219:28.0 221:1363.0 222:185.0 224:87.0 225:10937.0 226:2086.0 227:2518.0 228:393.0 229:88.0 230:53.0 231:38.0 232:392.0 233:79.0 234:40.0 235:71.0 236:964.0 237:366.0 238:344.0 239:228.0 240:775.0 241:761.0 242:179.0 243:172.0 244:8.0 246:5.0 247:38.0 249:281.0 250:97.0 251:28.0 252:391.0 253:729.0 254:353.0 255:865.0 256:158.0 257:127.0 265:118.0 266:127.0 267:794.0 268:625.0 269:1892.0 270:458.0 271:262.0 272:45.0 273:4.0 276:35.0 278:27.0 280:14.0 281:87.0 282:212.0 283:7536.0 284:2227.0 285:2163.0 286:428.0 287:268.0 288:37.0 290:3.0 291:51.0 294:170.0 295:109.0 296:24.0 297:188.0 298:5767.0 299:122279.0 300:32289.0 301:17320.0 302:3081.0 303:1002.0 304:54.0 305:98.0 306:74.0 307:99.0 308:150.0 309:224.0 310:2417.0 311:689.0 312:412.0 313:1724.0 314:9778.0 315:25666.0 316:7519.0 317:3548.0 318:701.0 319:256.0 320:102.0 321:109.0 322:35.0 323:37.0 324:53.0 325:132.0 326:4887.0 327:1738.0 328:21639.0 329:5681.0 330:3172.0 331:674.0 332:106.0 334:22.0 335:2.0 337:21.0 340:99.0 341:1329.0 342:343.0 343:144.0 350:31.0 352:25.0 353:7.0 354:3.0 355:71.0 356:134.0 357:68.0 358:22.0 359:14.0 366:3.0 367:28.0 371:101.0 372:68.0 373:176.0 374:88.0 383:63.0 384:103.0 386:291.0 387:1347.0 388:541.0 389:283.0 390:28.0 398:115.0 399:44.0 400:25.0 401:38.0 402:6.0 413:316.0 414:7758.0 415:3240.0 416:1706.0 417:509.0 418:131.0 420:7.0 429:155.0 431:19.0 435:6.0 454:6.0 470:12.0 471:17.0 492:1.0
phosphate	345365	314	1004	C00009	4	85:2157.0 86:4845.0 87:5305.0 88:1544.0 89:6178.0 90:913.0 91:5486.0 92:639.0 93:1090.0 94:256.0 95:178.0 96:901.0 97:221.0 98:1216.0 99:626.0 100:3524.0 103:17906.0 104:4250.0 105:12326.0 106:1911.0 107:7514.0 108:751.0 109:2429.0 110:239.0 112:225.0 113:1044.0 114:607.0 115:23611.0 116:3246.0 117:2166.0 118:1082.0 119:15220.0 120:2183.0 121:11456.0 122:1330.0 123:5152.0 124:478.0 125:397.0 126:608.0 130:541.0 131:11922.0 132:2542.0 133:82619.0 134:12079.0 135:30184.0 136:3182.0 137:17801.0 138:1549.0 139:1516.0 140:106.0 141:38.0 143:303.0 144:110.0 145:852.0 146:352.0 147:11829.0 148:2149.0 149:2002.0 150:962.0 151:12734.0 152:1341.0 153:2065.0 154:229.0 155:225.0 157:186.0 161:725.0 162:345.0 163:2689.0 164:611.0 165:6169.0 166:1281.0 167:5995.0 168:802.0 169:702.0 170:270.0 171:601.0 172:427.0 173:309.0 174:8375.0 175:1438.0 176:1170.0 177:3097.0 178:1271.0 179:3751.0 180:1142.0 181:17093.0 182:2582.0 183:6047.0 184:1278.0 185:815.0 186:332.0 187:214.0 188:347.0 189:5568.0 190:1226.0 191:21424.0 192:4536.0 193:26195.0 194:4803.0 195:6376.0 196:1216.0 197:1848.0 198:512.0 199:299.0 200:318.0 201:67.0 202:241.0 203:104.0 206:258.0 207:22356.0 208:4669.0 209:3774.0 210:1226.0 211:53568.0 212:8122.0 213:3966.0 214:536.0 215:251.0 216:68.0 221:1996.0 222:436.0 223:582.0 224:176.0 225:12691.0 226:2134.0 227:3444.0 228:478.0 229:232.0 230:91.0 233:94.0 235:47.0 237:160.0 238:106.0 239:393.0 240:107.0 241:154.0 242:18.0 243:76.0 244:60.0 248:39.0 249:62.0 250:82.0 251:135.0 252:114.0 253:953.0 254:289.0 255:766.0 256:327.0 257:133.0 258:64.0 261:72.0 263:51.0 266:12.0 267:931.0 268:405.0 269:1724.0 270:392.0 271:338.0 272:124.0 273:86.0 274:51.0 275:104.0 279:10.0 281:20.0 282:213.0 283:13073.0 284:3709.0 285:2127.0 286:429.0 287:69.0 288:68.0 290:87.0 291:16.0 292:60.0 294:88.0 296:13.0 297:172.0 298:3530.0 299:194352.0 300:49418.0 301:26327.0 302:4432.0 303:1082.0 304:228.0 305:87.0 306:177.0 307:170.0 308:128.0 309:164.0 310:108.0 311:123.0 312:74.0 313:765.0 314:25498.0 315:6708.0 316:3215.0 317:575.0 318:83.0 323:28.0 338:46.0 341:66.0 343:26.0 350:26.0 354:47.0 358:95.0 360:89.0 361:46.0 363:33.0 364:27.0 372:92.0 374:78.0 375:97.0 377:18.0 380:30.0 382:39.0 386:28.0 387:35.0 392:36.0 394:38.0 398:32.0 414:36.0 416:26.0 418:25.0 421:47.0 423:39.0 426:18.0 444:39.0 447:43.0 449:37.0 451:28.0 455:23.0 457:16.0 461:39.0 469:37.0 472:26.0 477:6.0 483:38.0 487:24.0 489:50.0 491:50.0 492:51.0 493:66.0 497:45.0 499:49.0 500:21.0
phenylalanine	537804	218	6140	C00079	33	85:116.0 86:960.0 87:386.0 88:130.0 89:524.0 90:333.0 91:7394.0 92:957.0 93:245.0 95:80.0 97:48.0 98:130.0 99:52.0 100:9746.0 101:1177.0 102:805.0 103:1034.0 104:243.0 105:388.0 107:71.0 113:39.0 114:39.0 115:219.0 116:165.0 117:780.0 118:464.0 119:424.0 120:416.0 121:430.0 122:59.0 123:39.0 129:97.0 130:1679.0 131:1133.0 132:1341.0 133:1146.0 134:336.0 135:293.0 136:49.0 138:34.0 139:49.0 140:25.0 141:29.0 142:42.0 144:83.0 145:192.0 146:426.0 147:6295.0 148:898.0 149:575.0 150:95.0 151:46.0 152:15.0 153:27.0 154:22.0 156:27.0 158:130.0 159:184.0 160:581.0 161:110.0 162:249.0 163:322.0 164:97.0 165:70.0 166:20.0 170:26.0 172:26.0 173:36.0 174:206.0 175:105.0 176:336.0 177:374.0 178:83.0 179:42.0 180:31.0 182:17.0 183:47.0 185:37.0 187:18.0 188:20.0 189:27.0 190:164.0 191:107.0 192:10455.0 193:1749.0 194:397.0 195:62.0 196:35.0 198:13.0 202:81.0 203:240.0 204:317.0 205:90.0 206:61.0 210:28.0 211:37.0 215:22.0 216:32.0 218:13238.0 219:2354.0 220:1006.0 221:86.0 235:21.0 239:14.0 266:599.0 267:219.0 268:127.0 270:27.0 277:22.0 278:36.0 279:36.0 282:33.0 284:20.0 286:21.0 294:142.0 295:52.0 297:44.0 299:31.0 300:16.0 301:35.0 308:20.0 310:28.0 311:13.0 313:29.0 314:18.0 315:27.0 317:24.0 320:28.0 324:23.0 326:26.0 329:14.0 331:30.0 334:43.0 336:14.0 337:20.0 339:24.0 341:15.0 343:21.0 346:21.0 351:14.0 352:22.0 362:20.0 363:27.0 364:29.0 366:13.0 367:28.0 369:16.0 374:14.0 375:32.0 378:28.0 380:21.0 382:28.0 385:20.0 386:35.0 389:14.0 390:25.0 392:18.0 393:22.0 394:14.0 402:32.0 403:23.0 404:21.0 406:22.0 407:27.0 411:38.0 413:23.0 414:18.0 416:15.0 418:23.0 419:43.0 420:23.0 421:23.0 422:19.0 423:21.0 424:35.0 425:43.0 426:20.0 427:43.0 429:31.0 434:15.0 436:37.0 437:24.0 438:20.0 440:36.0 443:18.0 447:36.0 450:19.0 451:21.0 452:13.0 469:19.0 479:21.0 481:25.0 499:12.0
pentadecanoic acid	674647	117	13849	C16537	1680	85:1079.0 86:936.0 87:668.0 88:311.0 89:1235.0 90:252.0 91:363.0 92:121.0 93:924.0 94:23.0 95:2663.0 96:207.0 97:1950.0 98:1682.0 99:1097.0 100:375.0 101:739.0 102:111.0 103:398.0 105:1755.0 106:21.0 107:560.0 109:714.0 110:435.0 111:832.0 112:533.0 113:210.0 114:84.0 115:386.0 116:3014.0 117:51588.0 118:5064.0 119:2265.0 120:57.0 121:350.0 122:9.0 123:205.0 124:23.0 125:265.0 126:192.0 127:184.0 128:189.0 129:22324.0 130:2896.0 131:8800.0 132:18309.0 133:3112.0 134:1429.0 135:121.0 136:2.0 137:75.0 139:96.0 140:121.0 141:128.0 142:1.0 143:1766.0 144:192.0 145:9487.0 146:1252.0 148:1.0 151:65.0 152:13.0 153:73.0 154:130.0 155:53.0 156:74.0 157:376.0 158:128.0 159:1112.0 160:219.0 161:10.0 165:16.0 167:6.0 168:140.0 169:52.0 170:27.0 171:831.0 172:176.0 173:320.0 174:1137.0 175:378.0 176:27.0 179:60.0 180:8.0 181:130.0 184:180.0 185:1045.0 186:101.0 187:580.0 188:187.0 189:29.0 190:30.0 195:37.0 199:271.0 200:101.0 201:1774.0 202:282.0 203:68.0 204:87.0 205:64.0 213:258.0 214:43.0 215:387.0 216:47.0 218:19.0 219:9.0 227:132.0 228:23.0 229:242.0 230:12.0 241:100.0 242:31.0 243:162.0 244:32.0 249:22.0 255:420.0 256:25.0 257:246.0 258:22.0 269:31.0 270:32.0 271:439.0 272:72.0 274:13.0 276:22.0 285:72.0 287:12.0 298:16.0 299:6916.0 300:1721.0 301:505.0 302:25.0 303:38.0 314:347.0 315:160.0 317:30.0 320:2.0 322:4.0 358:11.0 361:16.0 365:13.0 372:8.0 376:6.0 382:2.0 394:31.0 396:1.0 409:11.0 417:37.0 439:10.0 441:12.0 449:3.0 463:12.0 476:12.0 499:21.0
pelargonic acid	399229	117	8158	C01601	50	85:95.0 86:236.0 88:109.0 89:242.0 90:68.0 94:18.0 95:61.0 96:43.0 98:137.0 99:208.0 101:214.0 102:71.0 105:367.0 116:364.0 117:7457.0 118:623.0 119:191.0 123:20.0 128:63.0 129:2753.0 130:235.0 131:2172.0 132:1576.0 133:343.0 143:171.0 144:20.0 145:577.0 146:129.0 149:75.0 150:22.0 157:39.0 159:78.0 171:92.0 172:28.0 187:106.0 201:79.0 215:2429.0 216:383.0 217:112.0 221:143.0 222:38.0 252:13.0 258:16.0 260:17.0 275:19.0 281:32.0 282:20.0 284:18.0 286:12.0 287:12.0 289:13.0 300:15.0 302:44.0 315:13.0 330:22.0 343:21.0 360:18.0 373:18.0 410:21.0 443:26.0
parabanic acid NIST	464991	100	67126	C00802	4944	86:184.0 100:2598.0 101:191.0 102:43.0 107:53.0 110:113.0 132:10.0 180:10.0 184:81.0 185:1.0 215:53.0 216:3.0 243:231.0 258:5.0 312:3.0 349:7.0 360:7.0 402:7.0 409:10.0 429:9.0 433:1.0 447:3.0 480:21.0 483:7.0 496:10.0
palmitoleic acid	704511	311	445638	C08362	31379	85:95.0 86:95.0 89:132.0 91:227.0 92:75.0 93:348.0 94:171.0 95:893.0 96:1339.0 97:784.0 98:663.0 99:107.0 101:129.0 103:146.0 105:89.0 107:131.0 109:362.0 110:406.0 111:217.0 112:50.0 115:92.0 116:450.0 117:7088.0 118:479.0 119:360.0 120:51.0 121:116.0 122:41.0 123:218.0 124:151.0 126:42.0 129:2986.0 130:332.0 131:398.0 132:473.0 133:198.0 134:90.0 137:123.0 138:51.0 143:53.0 145:807.0 146:119.0 151:91.0 152:234.0 153:42.0 155:232.0 159:175.0 165:16.0 167:23.0 169:76.0 171:146.0 172:24.0 173:67.0 183:20.0 185:327.0 186:47.0 187:38.0 192:99.0 193:64.0 194:185.0 195:34.0 198:40.0 199:246.0 205:104.0 208:49.0 209:16.0 213:59.0 215:45.0 219:42.0 220:24.0 224:13.0 227:23.0 235:22.0 236:137.0 237:23.0 242:21.0 244:26.0 245:20.0 248:13.0 253:15.0 256:21.0 258:20.0 261:16.0 263:22.0 268:34.0 269:19.0 270:13.0 274:22.0 283:25.0 299:15.0 308:36.0 311:264.0 312:88.0 327:11.0 328:19.0 342:20.0 345:29.0 346:15.0 347:13.0 371:17.0 372:25.0 375:15.0 379:17.0 396:13.0 416:15.0 420:19.0 424:13.0 426:13.0 428:23.0 488:15.0 489:16.0 494:23.0 499:15.0
palmitic acid	713809	313	985	C00249	11	85:5547.0 86:2174.0 87:1945.0 88:1374.0 89:4967.0 90:773.0 91:1518.0 92:318.0 93:3798.0 94:511.0 95:10592.0 96:1486.0 97:8747.0 98:6953.0 99:4528.0 100:714.0 101:2700.0 102:872.0 103:543.0 105:5528.0 106:406.0 107:1555.0 108:180.0 109:2908.0 110:516.0 111:3724.0 112:1696.0 113:834.0 114:115.0 115:1629.0 116:11477.0 117:187825.0 118:18078.0 119:7322.0 120:225.0 121:1203.0 122:69.0 123:876.0 124:284.0 125:785.0 126:665.0 127:1046.0 128:874.0 129:85186.0 130:10537.0 131:29280.0 132:63732.0 133:12286.0 134:2792.0 135:1095.0 136:18.0 137:184.0 138:79.0 139:360.0 140:397.0 141:366.0 142:251.0 143:5894.0 144:548.0 145:34708.0 146:3903.0 147:1102.0 149:118.0 150:88.0 151:91.0 153:268.0 154:485.0 155:492.0 156:133.0 157:1550.0 158:290.0 159:2960.0 160:496.0 161:172.0 167:306.0 168:201.0 169:235.0 171:2833.0 172:309.0 173:923.0 174:523.0 175:123.0 177:125.0 180:41.0 181:281.0 182:321.0 183:116.0 184:72.0 185:3833.0 186:643.0 187:2450.0 188:684.0 189:189.0 190:75.0 191:117.0 192:33.0 195:534.0 196:154.0 197:77.0 198:60.0 199:878.0 200:221.0 201:5814.0 202:897.0 203:262.0 204:56.0 205:82.0 206:12.0 207:95.0 209:167.0 210:77.0 211:83.0 213:781.0 214:135.0 215:704.0 216:260.0 218:43.0 219:121.0 225:8.0 226:45.0 227:836.0 228:131.0 229:970.0 230:260.0 231:66.0 232:63.0 233:50.0 237:86.0 238:74.0 239:120.0 241:521.0 242:174.0 243:1204.0 244:298.0 245:119.0 255:146.0 256:61.0 257:536.0 258:194.0 269:1449.0 270:456.0 271:471.0 272:143.0 273:123.0 274:69.0 276:39.0 283:255.0 285:1333.0 286:374.0 287:77.0 291:38.0 298:25.0 299:202.0 300:49.0 301:74.0 304:53.0 311:65.0 312:749.0 313:22319.0 314:6366.0 315:1513.0 316:230.0 327:92.0 328:1505.0 329:376.0 330:125.0 332:25.0 353:30.0 358:23.0 375:50.0 382:31.0 388:56.0 398:45.0 399:36.0 400:24.0 408:48.0 420:45.0 421:25.0 425:20.0 442:30.0 458:35.0 459:30.0 461:31.0 466:39.0 474:39.0 493:42.0
palatinitol	996670	204	88735		114235	85:1438.0 86:273.0 87:1813.0 88:733.0 89:6635.0 90:399.0 91:388.0 93:109.0 94:150.0 95:115.0 96:113.0 97:842.0 98:166.0 99:1256.0 100:130.0 101:11391.0 102:1556.0 103:55817.0 104:5311.0 105:2423.0 106:169.0 107:87.0 108:33.0 109:860.0 110:75.0 111:921.0 112:147.0 113:1878.0 114:285.0 115:2015.0 116:5670.0 117:33819.0 118:3257.0 119:2166.0 120:33.0 121:50.0 123:26.0 125:156.0 127:969.0 128:223.0 129:32498.0 130:4174.0 131:7740.0 132:902.0 133:12791.0 134:1425.0 135:1007.0 136:38.0 137:36.0 139:298.0 140:45.0 141:540.0 142:538.0 143:4812.0 144:404.0 145:1267.0 146:149.0 147:76009.0 148:12423.0 149:9059.0 150:715.0 151:415.0 152:94.0 153:469.0 154:157.0 155:2632.0 156:427.0 157:10313.0 158:1018.0 159:962.0 160:55.0 161:3588.0 162:332.0 163:1244.0 164:88.0 165:135.0 166:32.0 167:301.0 168:119.0 169:10211.0 170:1231.0 171:696.0 172:163.0 173:432.0 174:208.0 175:949.0 176:192.0 177:644.0 178:120.0 179:112.0 180:26.0 181:127.0 183:1719.0 184:193.0 185:263.0 187:284.0 188:98.0 189:6862.0 190:1369.0 191:10146.0 192:1560.0 193:719.0 194:59.0 195:121.0 196:75.0 198:24.0 199:211.0 200:76.0 201:187.0 202:176.0 203:2350.0 204:55739.0 205:28989.0 206:8286.0 207:3462.0 208:368.0 209:189.0 210:34.0 213:63.0 214:41.0 215:507.0 216:227.0 217:41193.0 218:10505.0 219:4475.0 220:568.0 221:2033.0 222:341.0 223:168.0 224:35.0 225:81.0 226:56.0 227:161.0 228:36.0 229:1860.0 230:938.0 231:4576.0 232:772.0 233:517.0 234:138.0 235:133.0 236:47.0 237:59.0 238:20.0 239:113.0 240:71.0 241:251.0 242:176.0 243:4328.0 244:846.0 245:794.0 246:205.0 247:307.0 248:59.0 249:61.0 250:49.0 251:49.0 253:50.0 255:765.0 256:214.0 257:499.0 258:124.0 259:336.0 261:75.0 263:35.0 265:173.0 266:32.0 271:2829.0 272:569.0 273:740.0 274:147.0 275:34.0 277:410.0 278:164.0 279:75.0 281:64.0 284:16.0 289:48.0 291:1131.0 292:243.0 293:100.0 296:32.0 300:50.0 301:43.0 303:51.0 304:93.0 305:1320.0 306:542.0 307:2064.0 308:479.0 309:263.0 310:53.0 311:46.0 313:62.0 314:34.0 315:53.0 317:302.0 318:219.0 319:17501.0 320:5837.0 321:2474.0 322:460.0 323:125.0 331:811.0 332:435.0 333:270.0 334:105.0 335:33.0 344:82.0 345:2213.0 346:745.0 347:340.0 348:110.0 350:38.0 353:31.0 358:24.0 359:30.0 360:274.0 361:17471.0 362:6408.0 363:2695.0 364:531.0 365:181.0 366:64.0 368:28.0 371:41.0 373:42.0 375:56.0 376:19.0 377:58.0 378:26.0 379:47.0 380:31.0 381:28.0 385:30.0 386:38.0 387:21.0 388:24.0 393:60.0 395:38.0 399:33.0 402:23.0 404:34.0 407:31.0 409:38.0 410:45.0 411:32.0 415:41.0 416:35.0 417:33.0 419:110.0 420:42.0 421:157.0 422:100.0 423:48.0 425:20.0 428:36.0 430:30.0 431:37.0 433:63.0 434:60.0 436:98.0 437:29.0 438:56.0 439:42.0 440:29.0 445:59.0 447:27.0 449:27.0 450:40.0 451:177.0 452:96.0 454:38.0 456:28.0 458:39.0 459:15.0 463:65.0 465:29.0 469:19.0 471:24.0 476:50.0 477:13.0 478:17.0 480:24.0 486:19.0 488:33.0 492:20.0 495:15.0 497:21.0 499:16.0
oxoproline	485935	156	7405	C01879	10	85:3305.0 86:3646.0 88:224.0 89:349.0 92:90.0 93:31.0 94:268.0 97:300.0 98:1005.0 99:1224.0 100:2213.0 101:88.0 102:773.0 103:769.0 104:198.0 105:507.0 106:72.0 108:279.0 109:95.0 110:674.0 111:220.0 112:3321.0 113:1081.0 114:1752.0 115:792.0 116:101.0 117:1281.0 118:207.0 119:332.0 122:383.0 123:65.0 124:48.0 126:536.0 127:49.0 128:356.0 129:115.0 130:114.0 131:2158.0 132:618.0 133:4526.0 134:754.0 135:255.0 137:24.0 138:84.0 139:101.0 141:560.0 142:564.0 144:150.0 145:44.0 147:25073.0 148:3867.0 149:1964.0 150:231.0 151:110.0 152:34.0 153:44.0 154:924.0 155:543.0 156:125259.0 157:16525.0 158:5271.0 159:295.0 161:60.0 168:216.0 170:226.0 172:75.0 173:47.0 174:264.0 179:19.0 184:105.0 186:103.0 187:45.0 190:138.0 191:44.0 193:24.0 198:10.0 200:33.0 201:26.0 202:22.0 203:17.0 208:35.0 213:44.0 214:995.0 215:198.0 216:25.0 223:14.0 224:15.0 225:28.0 227:32.0 228:286.0 229:106.0 230:4024.0 231:965.0 232:370.0 233:55.0 234:53.0 235:19.0 239:27.0 240:29.0 241:28.0 242:9.0 243:34.0 244:41.0 248:17.0 249:23.0 250:33.0 252:30.0 254:23.0 256:70.0 257:53.0 258:5230.0 259:951.0 260:512.0 261:125.0 262:25.0 266:32.0 268:21.0 270:17.0 273:170.0 274:55.0 275:38.0 276:17.0 279:40.0 280:23.0 281:27.0 284:8.0 286:17.0 287:13.0 292:13.0 312:27.0 318:27.0 330:8.0 351:24.0 366:15.0 369:20.0 373:33.0 374:31.0 375:28.0 376:17.0 378:14.0 381:13.0 384:20.0 387:16.0 388:20.0 392:21.0 396:15.0 412:13.0 419:20.0 422:26.0 426:29.0 428:23.0 432:27.0 433:22.0 437:22.0 439:22.0 441:13.0 445:22.0 447:13.0 449:23.0 452:14.0 453:14.0 454:19.0 455:26.0 459:17.0 461:21.0 462:19.0 463:33.0 464:26.0 467:24.0 468:18.0 469:26.0 475:23.0 486:26.0 492:20.0 493:22.0
oxalic acid	260513	190	971	C00209	4923	85:642.0 86:564.0 88:852.0 89:2725.0 90:394.0 91:354.0 92:72.0 93:452.0 95:374.0 99:782.0 100:169.0 101:3135.0 102:7162.0 103:10813.0 104:1629.0 105:3087.0 106:416.0 107:839.0 108:169.0 109:471.0 110:173.0 111:137.0 113:787.0 114:94.0 115:3681.0 116:1325.0 117:6042.0 118:1002.0 119:1067.0 120:91.0 121:33.0 122:65.0 123:314.0 124:97.0 125:300.0 129:68.0 130:184.0 131:11895.0 132:2017.0 133:14362.0 134:1936.0 135:1055.0 136:250.0 137:6022.0 138:535.0 139:6282.0 140:477.0 141:375.0 146:275.0 147:223008.0 148:34909.0 149:18131.0 150:1859.0 151:357.0 152:13.0 153:79.0 154:4.0 159:65.0 163:10.0 165:77.0 167:6803.0 168:578.0 169:6792.0 170:580.0 171:173.0 174:7.0 175:4902.0 176:927.0 177:389.0 178:20.0 180:11.0 181:1.0 184:160.0 185:18.0 190:9140.0 191:1763.0 192:814.0 193:63.0 195:15.0 199:5.0 209:920.0 210:86.0 211:929.0 212:66.0 219:4986.0 220:960.0 221:355.0 222:27.0 483:4.0
orotic acid	586317	254	967	C00295	18492	86:145.0 93:50.0 97:74.0 99:33.0 100:658.0 101:27.0 117:39.0 124:23.0 131:210.0 132:36.0 133:51.0 140:16.0 147:494.0 153:16.0 158:39.0 167:49.0 174:219.0 214:30.0 225:13.0 226:22.0 239:84.0 246:15.0 253:160.0 254:1313.0 255:366.0 256:147.0 257:19.0 269:169.0 270:80.0 271:22.0 282:29.0 298:15.0 313:14.0 328:15.0 336:13.0 356:52.0 357:395.0 358:187.0 359:82.0 360:19.0 371:27.0 372:28.0 397:15.0 400:22.0 407:18.0 432:18.0 446:15.0 457:13.0 464:12.0
oleic acid	779120	339	445639	C00712	43	85:2268.0 86:703.0 87:608.0 88:472.0 89:1302.0 90:134.0 91:1987.0 92:342.0 93:2662.0 94:1268.0 95:7406.0 96:10672.0 97:6738.0 98:7712.0 99:1578.0 100:201.0 101:682.0 102:145.0 103:388.0 104:124.0 105:1450.0 106:261.0 107:1323.0 108:726.0 109:3302.0 110:3665.0 111:2689.0 112:1153.0 113:264.0 114:114.0 115:259.0 116:3180.0 117:34280.0 118:3347.0 119:2670.0 120:259.0 121:1238.0 122:553.0 123:2546.0 124:1400.0 125:653.0 126:61.0 127:330.0 129:26514.0 130:2892.0 131:5601.0 132:4641.0 133:2024.0 134:898.0 135:644.0 136:168.0 137:1491.0 138:987.0 139:415.0 140:159.0 141:275.0 142:202.0 143:1451.0 144:206.0 145:8576.0 146:943.0 147:1511.0 148:170.0 149:213.0 151:827.0 152:1151.0 153:234.0 154:47.0 155:918.0 156:310.0 157:692.0 158:287.0 159:631.0 160:183.0 161:319.0 162:97.0 164:78.0 165:470.0 166:763.0 167:319.0 168:163.0 169:647.0 170:262.0 171:1081.0 172:337.0 173:452.0 174:126.0 175:145.0 176:79.0 177:52.0 179:76.0 180:898.0 181:303.0 182:58.0 183:783.0 184:144.0 185:1676.0 186:316.0 187:260.0 188:203.0 189:91.0 193:156.0 194:179.0 195:47.0 197:136.0 198:86.0 199:1920.0 200:406.0 201:419.0 207:221.0 208:138.0 209:65.0 210:58.0 211:118.0 212:33.0 213:348.0 214:33.0 215:70.0 216:51.0 220:148.0 221:285.0 222:992.0 223:267.0 224:53.0 225:109.0 226:28.0 227:283.0 228:72.0 234:37.0 235:184.0 236:165.0 237:75.0 238:17.0 239:44.0 240:37.0 241:360.0 242:97.0 243:19.0 246:56.0 247:42.0 249:36.0 250:32.0 253:76.0 255:153.0 257:96.0 264:771.0 265:203.0 266:33.0 267:29.0 268:18.0 269:43.0 271:84.0 272:125.0 278:27.0 279:26.0 281:20.0 282:44.0 286:49.0 287:26.0 290:25.0 295:87.0 296:44.0 298:52.0 311:77.0 313:36.0 315:30.0 316:19.0 320:13.0 323:37.0 324:21.0 325:60.0 330:38.0 331:31.0 333:6.0 336:31.0 338:215.0 339:3052.0 340:1051.0 341:266.0 344:32.0 346:23.0 348:27.0 352:25.0 353:38.0 354:197.0 355:27.0 356:35.0 357:41.0 365:26.0 372:26.0 373:25.0 375:28.0 376:18.0 378:42.0 379:24.0 380:7.0 383:21.0 388:14.0 392:16.0 396:34.0 397:29.0 399:46.0 400:33.0 403:43.0 405:40.0 406:37.0 411:35.0 429:21.0 430:14.0 433:27.0 453:15.0 454:31.0 455:28.0 456:57.0 457:22.0 459:37.0 460:23.0 465:13.0 469:14.0 484:16.0 493:20.0 496:41.0 497:26.0 499:18.0 500:20.0
oleamide NIST	849710	144	5283387	C19670	20961	85:426.0 86:402.0 87:144.0 89:353.0 90:711.0 91:1369.0 92:194.0 93:400.0 94:235.0 95:556.0 96:526.0 97:627.0 98:214.0 99:199.0 100:1197.0 101:249.0 102:259.0 104:85.0 105:184.0 106:90.0 107:124.0 108:222.0 109:239.0 110:336.0 111:154.0 113:111.0 114:132.0 115:2827.0 116:11090.0 117:1116.0 118:448.0 119:161.0 120:59.0 121:55.0 122:381.0 123:147.0 124:172.0 125:88.0 126:316.0 127:230.0 128:10813.0 129:1513.0 130:1017.0 131:15183.0 132:1523.0 133:646.0 134:92.0 135:85.0 136:279.0 137:96.0 138:70.0 139:73.0 140:126.0 141:24.0 142:1006.0 143:186.0 144:10128.0 145:1593.0 146:433.0 147:258.0 148:135.0 151:91.0 152:98.0 153:44.0 154:230.0 155:142.0 156:240.0 157:149.0 158:962.0 159:164.0 160:109.0 162:32.0 163:55.0 164:79.0 165:60.0 167:55.0 168:109.0 169:188.0 170:501.0 171:142.0 172:240.0 173:149.0 176:49.0 180:52.0 182:158.0 184:1169.0 185:228.0 186:431.0 187:150.0 188:43.0 193:36.0 195:18.0 196:83.0 198:1370.0 199:222.0 200:647.0 201:101.0 202:32.0 203:44.0 207:99.0 208:34.0 209:49.0 210:125.0 212:305.0 213:104.0 214:117.0 215:70.0 216:42.0 220:63.0 222:31.0 224:110.0 226:448.0 227:105.0 228:103.0 229:48.0 238:193.0 240:323.0 241:85.0 242:54.0 243:36.0 251:14.0 252:191.0 254:257.0 258:18.0 260:48.0 261:16.0 262:19.0 266:59.0 268:173.0 269:64.0 270:75.0 282:115.0 283:50.0 291:25.0 293:16.0 294:44.0 296:54.0 297:31.0 298:47.0 299:49.0 305:29.0 308:29.0 311:55.0 317:33.0 322:21.0 337:66.0 338:848.0 339:307.0 340:69.0 353:248.0 354:157.0 355:71.0 364:33.0 368:16.0 373:19.0 386:34.0 394:30.0 395:34.0 402:16.0 404:32.0 405:13.0 407:24.0 412:16.0 417:40.0 422:41.0 433:27.0 436:38.0 440:36.0 441:12.0 443:30.0 448:29.0 449:46.0 454:26.0 459:32.0 462:35.0 468:39.0 473:37.0 474:25.0 475:25.0 477:19.0 478:45.0 482:48.0 486:43.0
octadecylglycerol	928878	205	3681	C13858	104598	85:1831.0 86:134.0 87:138.0 88:115.0 89:743.0 90:83.0 91:171.0 92:39.0 93:52.0 95:256.0 96:162.0 97:977.0 98:173.0 99:522.0 101:1457.0 102:162.0 103:3138.0 104:204.0 105:391.0 106:54.0 107:36.0 108:56.0 109:132.0 110:53.0 111:262.0 112:70.0 113:205.0 115:569.0 116:1378.0 117:8624.0 118:625.0 119:566.0 120:50.0 125:110.0 126:47.0 127:111.0 129:1655.0 130:3660.0 131:3655.0 132:694.0 133:5745.0 134:483.0 135:244.0 136:20.0 139:26.0 141:41.0 143:75.0 145:154.0 146:41.0 147:7066.0 148:1180.0 149:1103.0 150:97.0 151:48.0 153:16.0 155:19.0 159:68.0 160:25.0 162:20.0 163:52.0 166:14.0 167:29.0 169:25.0 173:25.0 174:33.0 175:302.0 176:60.0 177:266.0 179:48.0 184:26.0 185:16.0 186:19.0 189:156.0 191:56.0 197:16.0 204:576.0 205:7824.0 206:1274.0 207:625.0 208:74.0 209:26.0 221:43.0 226:12.0 231:12.0 243:14.0 250:25.0 251:23.0 257:28.0 258:14.0 259:16.0 265:17.0 266:15.0 279:20.0 284:22.0 288:12.0 296:19.0 310:32.0 311:30.0 317:13.0 324:12.0 339:22.0 341:108.0 343:23.0 354:11.0 368:20.0 374:12.0 375:21.0 377:22.0 384:29.0 386:29.0 396:16.0 398:15.0 400:12.0 402:21.0 407:35.0 413:16.0 416:14.0 418:21.0 421:22.0 425:25.0 426:17.0 427:18.0 438:25.0 440:13.0 441:15.0 452:14.0 456:11.0 458:16.0 459:26.0 461:17.0 472:13.0 473:36.0 477:26.0 478:12.0 482:20.0 484:22.0 486:20.0 488:16.0 491:20.0 495:13.0 496:16.0 497:18.0 499:18.0
nicotinamide	471602	179	936	C00153	84542	86:209.0 89:162.0 90:198.0 92:127.0 93:263.0 94:195.0 100:836.0 102:136.0 103:220.0 104:2595.0 105:4174.0 106:810.0 108:61.0 119:174.0 120:170.0 122:157.0 123:39.0 135:126.0 136:6136.0 137:808.0 138:240.0 139:45.0 148:164.0 150:54.0 151:55.0 161:87.0 163:218.0 164:32.0 165:80.0 166:33.0 175:86.0 178:33.0 179:15388.0 180:2109.0 181:675.0 182:48.0 193:1190.0 194:529.0 195:117.0
N-carbamylglutamate	651275	257	121396	C05829	31579	85:444.0 86:356.0 87:75.0 88:49.0 89:402.0 90:65.0 91:36.0 94:105.0 95:68.0 97:120.0 98:161.0 99:285.0 100:1587.0 101:506.0 102:225.0 104:30.0 105:120.0 106:9.0 107:51.0 111:88.0 112:137.0 113:218.0 114:194.0 115:122.0 116:276.0 117:663.0 118:50.0 119:162.0 121:22.0 122:5.0 123:62.0 124:2.0 125:34.0 127:425.0 128:75.0 129:844.0 130:79.0 131:492.0 132:93.0 133:678.0 134:230.0 135:61.0 138:8.0 139:18.0 140:127.0 141:77.0 142:134.0 143:246.0 144:1.0 146:12.0 147:3313.0 148:264.0 149:469.0 154:31.0 155:110.0 156:417.0 157:245.0 158:61.0 159:87.0 161:56.0 163:44.0 164:2.0 166:43.0 167:29.0 168:44.0 169:232.0 170:20.0 171:36.0 172:130.0 173:145.0 174:379.0 175:126.0 177:68.0 179:92.0 181:29.0 183:295.0 184:115.0 185:15.0 186:1.0 188:59.0 189:266.0 192:23.0 194:11.0 197:29.0 198:41.0 200:8.0 201:77.0 202:10.0 203:57.0 204:302.0 205:104.0 206:76.0 207:27.0 213:16.0 214:155.0 215:54.0 217:1021.0 218:218.0 219:140.0 222:18.0 226:21.0 227:12.0 228:34.0 229:295.0 230:1114.0 231:168.0 232:95.0 233:45.0 238:7.0 239:27.0 241:97.0 242:59.0 243:252.0 244:132.0 245:73.0 246:22.0 247:6.0 250:11.0 252:33.0 255:98.0 256:119.0 257:2356.0 258:584.0 259:243.0 260:35.0 261:12.0 262:42.0 263:7.0 267:161.0 268:39.0 270:17.0 271:41.0 272:5.0 275:9.0 277:12.0 283:48.0 285:74.0 286:12.0 289:12.0 292:11.0 293:7.0 294:5.0 300:47.0 301:29.0 303:75.0 304:12.0 305:47.0 306:1.0 308:18.0 309:48.0 314:20.0 317:18.0 319:86.0 321:25.0 322:9.0 324:33.0 327:4.0 328:3.0 329:17.0 330:12.0 331:73.0 332:88.0 333:25.0 334:47.0 336:10.0 337:42.0 344:66.0 346:48.0 347:8.0 350:9.0 351:11.0 352:5.0 354:8.0 358:12.0 362:21.0 365:18.0 366:33.0 370:14.0 371:34.0 372:28.0 373:469.0 374:205.0 375:78.0 376:11.0 377:21.0 380:7.0 382:1.0 385:2.0 386:1.0 387:27.0 388:362.0 389:153.0 390:62.0 391:10.0 396:4.0 401:11.0 402:6.0 408:8.0 410:16.0 411:5.0 418:8.0 420:18.0 421:3.0 424:11.0 428:3.0 431:5.0 434:2.0 437:5.0 441:11.0 443:22.0 445:17.0 454:3.0 456:1.0 466:6.0 467:19.0 468:8.0 472:5.0 473:7.0 481:2.0 483:16.0 484:1.0 485:1.0 492:33.0 494:19.0 496:8.0 498:1.0 499:2.0
N-carbamoylaspartate	611345	257	93072	C00438	106743	85:289.0 86:203.0 87:242.0 89:488.0 91:478.0 92:20.0 93:91.0 96:273.0 98:129.0 99:387.0 100:2950.0 101:2993.0 102:397.0 103:839.0 104:56.0 105:432.0 106:62.0 107:135.0 113:85.0 114:106.0 115:460.0 116:842.0 117:709.0 118:198.0 119:799.0 120:61.0 121:56.0 126:31.0 127:162.0 128:73.0 129:185.0 131:1148.0 132:209.0 133:2939.0 134:386.0 135:653.0 137:114.0 141:17.0 142:72.0 143:978.0 144:172.0 145:145.0 147:10649.0 148:1769.0 149:1085.0 151:132.0 156:64.0 158:372.0 160:1459.0 161:175.0 162:132.0 163:70.0 169:34.0 174:611.0 175:92.0 177:80.0 179:69.0 181:125.0 183:94.0 188:30.0 189:298.0 190:187.0 191:434.0 192:47.0 193:1057.0 194:112.0 195:236.0 197:54.0 206:34.0 207:572.0 208:155.0 209:46.0 211:2154.0 212:243.0 213:148.0 217:1053.0 218:123.0 219:24.0 225:144.0 227:1796.0 228:217.0 229:92.0 237:30.0 241:115.0 242:19.0 243:112.0 244:54.0 255:49.0 257:3273.0 258:461.0 259:194.0 265:28.0 267:316.0 268:67.0 285:119.0 299:2574.0 300:510.0 301:161.0 315:567.0 316:60.0 317:751.0 318:166.0 319:70.0 328:41.0 341:67.0 357:991.0 358:261.0 359:677.0 360:160.0 361:77.0 370:37.0 373:15.0 374:124.0 387:315.0 388:87.0 459:157.0 460:26.0 461:17.0
N-acetylmannosamine	722897	319	439281	C00645	14817	85:4.0 86:39.0 87:791.0 88:39.0 89:233.0 90:24.0 91:8.0 92:15.0 93:43.0 94:13.0 95:18.0 96:9.0 97:4.0 98:45.0 99:101.0 100:46.0 101:79.0 102:5.0 103:418.0 104:33.0 105:43.0 106:8.0 107:21.0 108:29.0 109:20.0 110:98.0 111:30.0 112:44.0 113:62.0 114:48.0 115:13.0 116:132.0 117:365.0 118:46.0 119:28.0 120:11.0 121:28.0 122:10.0 123:17.0 124:10.0 125:23.0 127:3.0 128:48.0 129:623.0 130:79.0 131:125.0 132:19.0 133:130.0 134:37.0 135:12.0 137:45.0 138:37.0 139:21.0 141:55.0 142:23.0 143:53.0 144:48.0 145:8.0 146:46.0 147:722.0 148:115.0 149:91.0 150:39.0 151:6.0 152:9.0 153:41.0 154:25.0 155:19.0 156:8.0 157:144.0 158:79.0 159:15.0 160:23.0 161:9.0 162:17.0 163:40.0 164:21.0 165:12.0 166:9.0 167:27.0 168:15.0 169:22.0 170:33.0 171:92.0 172:37.0 173:183.0 174:53.0 175:28.0 176:24.0 177:16.0 178:9.0 179:4.0 180:12.0 181:3.0 182:4.0 183:22.0 184:21.0 185:18.0 186:22.0 187:17.0 188:4.0 189:56.0 190:25.0 192:15.0 193:8.0 194:6.0 195:16.0 196:11.0 197:23.0 199:5.0 200:38.0 201:38.0 202:287.0 203:56.0 205:312.0 206:45.0 207:16.0 208:1.0 209:7.0 210:10.0 211:25.0 212:22.0 213:66.0 214:10.0 215:10.0 216:9.0 217:119.0 218:45.0 219:13.0 220:17.0 222:16.0 224:3.0 225:8.0 226:13.0 227:17.0 228:12.0 229:39.0 230:7.0 231:78.0 232:24.0 233:16.0 234:6.0 235:17.0 236:4.0 237:4.0 238:19.0 239:27.0 240:9.0 241:2.0 242:20.0 243:79.0 244:31.0 245:20.0 246:18.0 247:12.0 249:19.0 250:6.0 251:8.0 252:14.0 253:23.0 254:21.0 255:22.0 256:11.0 257:10.0 258:19.0 259:4.0 260:8.0 261:14.0 262:19.0 263:23.0 264:1.0 265:1.0 268:7.0 269:17.0 270:18.0 271:4.0 272:9.0 273:21.0 274:80.0 275:31.0 276:14.0 277:8.0 278:7.0 279:12.0 280:9.0 281:20.0 282:17.0 283:9.0 284:7.0 285:9.0 287:25.0 288:8.0 289:21.0 290:14.0 291:6.0 292:24.0 294:13.0 295:25.0 297:5.0 298:19.0 300:15.0 301:22.0 302:23.0 303:8.0 304:5.0 305:7.0 306:1.0 307:15.0 308:6.0 309:7.0 310:9.0 311:18.0 313:13.0 314:3.0 315:23.0 317:10.0 318:17.0 319:140.0 320:38.0 321:37.0 322:6.0 323:8.0 325:23.0 326:26.0 328:2.0 332:12.0 333:50.0 334:27.0 335:25.0 336:4.0 338:3.0 339:28.0 341:22.0 342:2.0 343:3.0 344:15.0 345:9.0 346:6.0 347:25.0 348:17.0 349:10.0 350:15.0 351:10.0 352:5.0 353:13.0 354:17.0 355:6.0 357:4.0 358:7.0 360:28.0 362:2.0 363:20.0 364:15.0 365:9.0 367:10.0 368:13.0 369:14.0 370:2.0 371:15.0 372:13.0 373:12.0 374:18.0 375:2.0 376:1.0 377:13.0 378:3.0 379:13.0 380:4.0 381:11.0 382:10.0 385:13.0 386:6.0 387:22.0 388:13.0 389:20.0 390:13.0 391:1.0 392:3.0 393:6.0 394:11.0 395:5.0 396:9.0 397:3.0 398:1.0 399:3.0 403:6.0 405:9.0 406:2.0 407:17.0 408:6.0 409:23.0 410:11.0 411:12.0 412:14.0 413:21.0 414:10.0 415:15.0 416:6.0 417:2.0 418:10.0 419:6.0 420:2.0 421:4.0 422:6.0 423:2.0 424:9.0 425:3.0 426:12.0 427:1.0 428:11.0 429:3.0 430:22.0 431:9.0 432:13.0 433:12.0 435:6.0 436:6.0 437:9.0 438:19.0 439:1.0 440:4.0 441:7.0 442:2.0 444:16.0 445:13.0 446:11.0 447:11.0 449:13.0 450:2.0 451:10.0 452:6.0 453:8.0 454:26.0 456:13.0 457:9.0 458:25.0 460:8.0 461:12.0 462:6.0 463:19.0 464:11.0 465:5.0 466:10.0 467:6.0 468:3.0 469:2.0 470:13.0 471:7.0 472:13.0 473:10.0 474:4.0 475:2.0 476:7.0 477:4.0 478:4.0 479:8.0 480:13.0 481:6.0 483:14.0 484:3.0 485:15.0 486:10.0 488:3.0 489:5.0 490:16.0 491:20.0 493:10.0 494:10.0 496:21.0 497:3.0 498:4.0 499:19.0 500:4.0
n-acetyl-d-hexosamine	746341	319	24139	C03878	1674	85:448.0 86:230.0 88:655.0 89:9641.0 90:778.0 99:345.0 100:2544.0 101:2131.0 102:964.0 103:45456.0 104:4561.0 105:1970.0 106:10.0 113:655.0 114:2492.0 115:766.0 116:104.0 117:11596.0 118:1129.0 119:1434.0 126:279.0 127:100.0 128:346.0 129:15183.0 130:2624.0 131:3200.0 133:18066.0 134:1988.0 135:689.0 140:72.0 141:221.0 142:588.0 143:1887.0 144:357.0 146:152.0 147:49213.0 148:7660.0 149:5097.0 150:404.0 151:125.0 154:287.0 156:370.0 157:16485.0 158:2488.0 159:1263.0 160:179.0 161:548.0 162:65.0 163:1714.0 164:213.0 165:18.0 168:79.0 169:745.0 170:110.0 172:4718.0 173:2803.0 174:729.0 175:1005.0 176:65.0 177:888.0 178:227.0 179:89.0 181:46.0 182:26.0 184:4.0 186:47.0 187:62.0 188:563.0 189:5420.0 190:1879.0 191:2919.0 192:623.0 193:148.0 194:6.0 198:9.0 200:239.0 201:1244.0 202:782.0 203:893.0 204:4708.0 205:30375.0 206:6071.0 207:3146.0 208:330.0 209:52.0 210:98.0 212:30.0 214:441.0 215:207.0 216:640.0 217:17793.0 218:3709.0 219:1782.0 220:251.0 221:1065.0 222:257.0 223:157.0 224:7.0 228:23.0 229:4567.0 230:1680.0 231:1220.0 232:430.0 233:68.0 234:113.0 235:656.0 236:147.0 237:41.0 238:10.0 240:143.0 241:76.0 242:255.0 243:281.0 244:337.0 245:241.0 246:244.0 247:585.0 248:53.0 249:3.0 252:30.0 254:23.0 256:243.0 257:86.0 258:37.0 259:277.0 260:290.0 261:124.0 262:1263.0 263:852.0 264:230.0 265:196.0 268:524.0 269:33.0 270:76.0 272:17.0 273:49.0 274:85.0 275:144.0 276:11.0 277:721.0 278:238.0 279:75.0 283:27.0 284:17.0 287:12.0 288:322.0 289:64.0 291:947.0 292:273.0 293:35.0 294:15.0 300:28.0 302:483.0 303:144.0 304:89.0 305:879.0 306:331.0 307:946.0 308:293.0 309:42.0 311:28.0 312:10.0 314:49.0 315:2.0 316:42.0 318:281.0 319:26076.0 320:7869.0 321:3845.0 322:694.0 323:135.0 330:16.0 331:70.0 332:259.0 333:136.0 334:342.0 335:197.0 336:81.0 342:80.0 343:31.0 344:117.0 347:24.0 348:15.0 364:42.0 373:17.0 376:29.0 381:7.0 386:18.0 391:22.0 402:144.0 406:2.0 419:16.0 463:22.0
N-acetylaspartic acid	548028	158	65065	C01042	4081	85:424.0 86:274.0 87:183.0 88:123.0 93:100.0 94:61.0 95:123.0 98:237.0 99:211.0 100:820.0 101:420.0 102:186.0 103:219.0 104:72.0 107:36.0 109:95.0 110:133.0 111:191.0 112:302.0 113:107.0 114:107.0 115:220.0 116:1962.0 117:4292.0 118:543.0 119:205.0 120:45.0 121:29.0 123:35.0 124:18.0 128:132.0 129:1942.0 130:860.0 131:1103.0 132:1033.0 133:678.0 134:131.0 135:58.0 137:52.0 138:25.0 139:83.0 141:46.0 142:642.0 143:109.0 144:1199.0 145:624.0 146:252.0 147:1572.0 148:266.0 149:297.0 151:35.0 155:93.0 156:56.0 157:132.0 158:3465.0 159:580.0 160:1711.0 161:203.0 162:102.0 163:31.0 166:17.0 167:26.0 170:34.0 171:110.0 172:201.0 173:129.0 174:83.0 179:19.0 184:139.0 185:132.0 186:262.0 187:147.0 201:162.0 202:982.0 203:136.0 204:70.0 207:49.0 214:212.0 215:44.0 216:38.0 217:182.0 222:28.0 227:15.0 228:17.0 229:99.0 230:19.0 232:51.0 233:19.0 234:40.0 235:17.0 236:14.0 242:21.0 245:363.0 246:110.0 247:42.0 251:20.0 253:25.0 254:20.0 255:19.0 257:566.0 258:149.0 259:66.0 262:25.0 263:36.0 265:28.0 266:28.0 271:16.0 272:24.0 273:14.0 274:14.0 275:127.0 276:121.0 279:26.0 283:20.0 285:18.0 287:39.0 292:20.0 297:17.0 298:16.0 300:31.0 304:317.0 309:24.0 311:29.0 319:21.0 321:12.0 326:19.0 327:27.0 328:17.0 329:21.0 331:14.0 332:24.0 335:39.0 338:13.0 342:20.0 344:20.0 345:12.0 346:20.0 348:16.0 350:21.0 351:22.0 354:35.0 356:22.0 357:25.0 359:21.0 360:22.0 361:30.0 362:28.0 363:17.0 367:14.0 369:32.0 370:21.0 374:31.0 377:32.0 378:26.0 380:24.0 382:30.0 386:17.0 389:13.0 390:19.0 395:19.0 397:26.0 399:21.0 403:19.0 405:20.0 407:29.0 409:37.0 428:32.0 432:28.0 436:23.0 437:38.0 443:18.0 444:13.0 447:26.0 449:24.0 450:22.0 451:30.0 452:20.0 455:34.0 459:41.0 468:31.0 473:35.0 477:20.0 486:20.0 488:23.0 491:13.0 497:26.0 500:15.0
myristic acid	634414	285	11005	C06424	127	85:1672.0 86:922.0 87:259.0 88:617.0 89:2301.0 90:194.0 91:565.0 93:1089.0 94:262.0 95:2947.0 96:479.0 97:1977.0 98:1752.0 99:1650.0 100:382.0 101:1406.0 104:452.0 105:1305.0 106:321.0 107:394.0 108:204.0 109:725.0 110:354.0 111:699.0 112:710.0 116:3547.0 117:55137.0 118:5160.0 119:1775.0 120:155.0 121:314.0 122:68.0 123:74.0 124:132.0 125:204.0 128:186.0 129:23236.0 130:2963.0 131:10163.0 132:11889.0 133:3977.0 134:251.0 135:196.0 137:213.0 142:380.0 143:1660.0 144:258.0 145:6827.0 146:1002.0 154:132.0 157:1595.0 158:190.0 159:829.0 160:108.0 165:86.0 167:466.0 168:55.0 171:571.0 172:167.0 173:1219.0 174:373.0 182:85.0 184:132.0 185:1121.0 186:96.0 187:483.0 188:195.0 190:289.0 194:89.0 195:15.0 197:77.0 199:354.0 200:238.0 201:1314.0 202:210.0 210:76.0 213:352.0 214:117.0 215:254.0 216:112.0 222:61.0 225:68.0 226:54.0 227:76.0 228:80.0 229:237.0 230:251.0 236:18.0 238:15.0 239:50.0 240:46.0 241:393.0 242:363.0 243:137.0 244:281.0 246:56.0 250:55.0 251:52.0 253:35.0 255:197.0 256:135.0 257:304.0 258:149.0 265:135.0 266:9.0 267:40.0 268:20.0 270:86.0 271:172.0 273:243.0 274:51.0 281:39.0 285:4066.0 286:965.0 287:455.0 288:81.0 289:46.0 292:47.0 302:41.0 306:80.0 313:35.0 314:11.0 315:14.0 316:113.0 321:192.0 322:27.0 325:23.0 327:25.0 329:41.0 330:45.0 334:24.0 337:8.0 338:30.0 339:17.0 344:39.0 346:67.0 347:84.0 359:31.0 368:8.0 377:45.0 385:12.0 390:23.0 391:18.0 393:30.0 403:17.0 405:18.0 439:24.0 441:22.0 461:23.0 466:59.0 467:34.0 469:28.0 491:18.0
myo-inositol	730022	305	892	C00137	1741	85:113.0 86:491.0 87:31.0 88:19.0 89:298.0 90:43.0 95:6.0 99:170.0 100:411.0 101:320.0 102:164.0 103:3399.0 104:366.0 105:2.0 107:22.0 108:49.0 109:262.0 111:243.0 112:149.0 113:176.0 114:90.0 115:187.0 116:296.0 117:1042.0 118:228.0 119:212.0 121:1.0 123:6.0 124:38.0 125:22.0 126:73.0 127:67.0 128:163.0 129:4240.0 130:611.0 131:1566.0 132:262.0 133:3203.0 134:572.0 135:421.0 136:43.0 138:92.0 139:9.0 140:9.0 142:100.0 143:992.0 144:486.0 145:176.0 147:12285.0 148:1910.0 149:1382.0 150:114.0 151:150.0 152:3.0 153:80.0 154:28.0 155:134.0 157:450.0 158:183.0 159:71.0 161:161.0 162:19.0 165:22.0 168:8.0 169:204.0 170:123.0 171:159.0 172:11.0 173:59.0 174:708.0 175:214.0 177:312.0 178:31.0 179:9.0 181:23.0 182:233.0 183:125.0 184:165.0 185:64.0 189:488.0 190:276.0 191:5177.0 192:982.0 193:356.0 194:65.0 196:54.0 197:732.0 198:524.0 199:90.0 200:284.0 201:47.0 203:128.0 204:1900.0 205:544.0 206:210.0 207:117.0 208:190.0 209:44.0 210:51.0 211:40.0 212:15.0 214:11.0 215:101.0 216:5.0 217:8834.0 218:1837.0 219:969.0 220:74.0 221:785.0 222:165.0 223:125.0 224:40.0 226:190.0 227:115.0 228:140.0 229:48.0 230:117.0 231:157.0 232:21.0 233:1.0 236:4.0 239:56.0 240:36.0 241:98.0 242:8.0 243:275.0 244:82.0 245:10.0 246:20.0 254:17.0 255:20.0 256:6.0 257:11.0 264:22.0 265:1345.0 266:233.0 267:22.0 268:55.0 271:46.0 272:45.0 274:3.0 279:20.0 289:1.0 291:437.0 292:80.0 293:120.0 297:3.0 298:227.0 299:108.0 301:104.0 303:79.0 305:5040.0 306:1576.0 307:694.0 308:57.0 309:60.0 312:9.0 316:7.0 317:110.0 318:2317.0 319:848.0 320:390.0 321:73.0 322:29.0 324:10.0 327:4.0 330:51.0 331:6.0 332:17.0 343:14.0 353:16.0 354:55.0 360:1.0 367:360.0 368:76.0 369:43.0 371:3.0 373:39.0 374:49.0 379:15.0 382:80.0 385:33.0 393:92.0 394:22.0 395:3.0 403:4.0 404:4.0 405:15.0 412:14.0 418:12.0 420:32.0 422:3.0 432:284.0 433:196.0 434:130.0 437:1.0 442:52.0 443:101.0 445:21.0 446:5.0 448:2.0 455:30.0 456:22.0 458:46.0 464:5.0 478:1.0 483:6.0
mucic acid	709842	333	3037582	C00879	6426	85:27.0 88:2.0 89:28.0 90:101.0 93:21.0 95:66.0 99:171.0 101:153.0 102:448.0 103:1679.0 104:125.0 105:13.0 106:2.0 107:23.0 110:36.0 111:100.0 115:17.0 117:651.0 118:112.0 121:8.0 124:1.0 128:77.0 129:1082.0 130:312.0 131:424.0 133:1205.0 134:12.0 135:82.0 136:4.0 137:3.0 139:2.0 140:41.0 141:17.0 142:106.0 143:1480.0 144:111.0 145:32.0 146:17.0 147:6387.0 148:679.0 149:640.0 150:1.0 152:3.0 153:14.0 154:2.0 155:37.0 157:198.0 158:5.0 159:40.0 160:83.0 162:12.0 163:68.0 165:8.0 167:28.0 168:22.0 169:9.0 171:341.0 172:70.0 173:123.0 175:1.0 176:22.0 179:10.0 180:2.0 182:10.0 184:31.0 185:1.0 186:4.0 189:1091.0 190:192.0 191:554.0 192:20.0 193:1.0 195:5.0 196:20.0 199:36.0 200:55.0 201:66.0 202:10.0 203:1.0 204:242.0 205:263.0 206:10.0 207:146.0 209:17.0 211:165.0 212:2.0 215:226.0 217:2741.0 218:553.0 219:686.0 220:122.0 221:689.0 222:110.0 223:9.0 224:8.0 226:2.0 227:6.0 228:21.0 229:203.0 230:37.0 231:63.0 232:76.0 233:33.0 239:17.0 241:13.0 242:7.0 243:12.0 245:36.0 246:33.0 248:48.0 249:74.0 250:47.0 251:4.0 257:333.0 258:65.0 259:11.0 261:151.0 262:100.0 263:1.0 265:30.0 266:1.0 267:30.0 268:21.0 271:60.0 273:45.0 274:74.0 275:13.0 277:366.0 278:153.0 279:84.0 281:2.0 282:3.0 288:29.0 289:6.0 290:13.0 291:103.0 292:1364.0 293:454.0 294:186.0 295:31.0 297:3.0 299:2.0 300:1.0 303:131.0 304:19.0 305:648.0 306:188.0 307:198.0 308:4.0 310:10.0 311:62.0 313:3.0 316:18.0 317:9.0 319:61.0 320:55.0 321:94.0 322:26.0 323:1.0 324:2.0 326:14.0 331:27.0 332:77.0 333:3001.0 334:1049.0 335:422.0 336:109.0 341:2.0 344:56.0 345:94.0 346:25.0 347:98.0 348:29.0 353:33.0 359:1.0 361:19.0 362:13.0 367:12.0 373:68.0 392:3.0 393:13.0 398:8.0 401:2.0 402:16.0 417:16.0 419:29.0 423:56.0 435:3.0 436:2.0 437:101.0 438:65.0 439:54.0 440:1.0 447:148.0 448:14.0 449:12.0 461:22.0 462:9.0 466:3.0 468:5.0 481:1.0
methylmaleic acid	418804	259	643798	C02226	18026	85:31.0 86:43.0 87:102.0 89:20.0 95:378.0 97:5030.0 98:1678.0 99:1324.0 100:368.0 101:156.0 102:3.0 103:604.0 107:197.0 108:84.0 109:67.0 111:25.0 112:1290.0 113:275.0 114:181.0 115:225.0 116:191.0 117:994.0 120:3.0 122:2195.0 123:57.0 124:1.0 125:65.0 126:1.0 127:1395.0 130:76.0 131:934.0 132:22.0 133:2679.0 134:1180.0 140:595.0 141:2286.0 142:1066.0 143:47.0 144:236.0 147:31662.0 148:3930.0 149:3502.0 150:661.0 151:125.0 152:4.0 153:3.0 156:369.0 157:1302.0 158:3.0 159:43.0 160:83.0 163:23.0 166:43.0 169:1033.0 170:105.0 171:289.0 172:25.0 173:122.0 174:21.0 176:3.0 178:5.0 180:34.0 182:6.0 183:35.0 184:20128.0 185:3305.0 186:826.0 187:72.0 191:317.0 192:135.0 198:52.0 199:217.0 200:55.0 213:306.0 215:360.0 216:84.0 224:43.0 227:4.0 229:66.0 230:2.0 231:822.0 232:220.0 235:4.0 241:6.0 244:17.0 246:2.0 247:17.0 253:4.0 254:2.0 257:16.0 258:4.0 259:10445.0 260:2405.0 261:996.0 262:56.0 263:21.0 268:4.0 269:2.0 270:2.0 274:143.0 289:1.0 290:3.0 291:1.0 292:11.0 293:3.0 298:6.0 304:7.0 306:16.0 324:13.0 325:1.0 345:65.0 367:1.0 369:1.0 372:1.0 377:7.0 378:1.0 381:10.0 388:10.0 402:10.0 451:12.0 464:3.0 497:14.0
methionine	483560	176	6137	C00073	45	86:209.0 87:157.0 88:89.0 92:28.0 96:49.0 98:179.0 100:943.0 101:113.0 102:175.0 103:199.0 104:109.0 105:441.0 107:31.0 114:409.0 115:107.0 117:136.0 118:21.0 122:14.0 128:6524.0 129:603.0 130:496.0 131:1184.0 132:354.0 134:118.0 144:59.0 145:49.0 146:97.0 147:486.0 148:243.0 149:200.0 151:51.0 159:53.0 160:202.0 161:47.0 162:43.0 163:30.0 164:16.0 172:30.0 174:90.0 175:14.0 176:5168.0 177:722.0 178:375.0 179:63.0 181:18.0 184:26.0 187:28.0 188:179.0 189:50.0 192:17.0 195:32.0 200:36.0 202:297.0 203:128.0 204:26.0 206:36.0 218:197.0 219:341.0 220:144.0 221:12.0 232:121.0 243:25.0 250:223.0 251:39.0 252:28.0 257:15.0 266:26.0 270:19.0 277:18.0 278:32.0 279:13.0 285:24.0 292:16.0 293:161.0 295:33.0 301:18.0 305:14.0 307:18.0 308:14.0 322:26.0 331:18.0 351:27.0 357:13.0 375:33.0 462:14.0 477:15.0
methanolphosphate	289520	241	13130		5393	91:189.0 98:118.0 99:213.0 109:13.0 110:42.0 115:116.0 117:125.0 118:94.0 119:81.0 121:107.0 122:6.0 123:105.0 130:13.0 133:646.0 134:53.0 135:408.0 136:125.0 137:176.0 143:34.0 144:4.0 151:78.0 158:18.0 160:2.0 163:856.0 164:67.0 165:58.0 167:92.0 168:16.0 181:147.0 184:128.0 195:233.0 198:4.0 210:1.0 211:438.0 212:72.0 213:19.0 225:3.0 228:46.0 239:1.0 241:2338.0 242:433.0 243:249.0 244:9.0 256:169.0 257:14.0 282:5.0 301:9.0 308:8.0 313:2.0 385:2.0 396:4.0 461:16.0
melezitose	1146704	361	92817	C08243	16664	85:2882.0 86:356.0 87:1453.0 88:717.0 89:2493.0 90:260.0 94:146.0 95:522.0 96:449.0 97:1475.0 98:147.0 99:1815.0 100:130.0 101:4813.0 102:1108.0 103:59199.0 104:5259.0 105:2332.0 106:118.0 108:29.0 109:3609.0 110:126.0 111:1525.0 112:231.0 113:2422.0 114:582.0 115:2067.0 116:2464.0 117:12895.0 118:1303.0 119:1375.0 120:19.0 121:68.0 123:27.0 125:469.0 126:29.0 127:1837.0 128:405.0 129:57490.0 130:6758.0 131:7719.0 132:1136.0 133:10410.0 134:1065.0 135:970.0 136:144.0 137:56.0 139:1283.0 140:371.0 141:1449.0 142:1960.0 143:9038.0 144:1068.0 145:2592.0 146:379.0 147:52410.0 148:8339.0 149:6831.0 150:806.0 151:697.0 152:135.0 153:1613.0 154:475.0 155:9749.0 156:1552.0 157:9544.0 158:1164.0 159:1350.0 160:98.0 161:1609.0 162:160.0 163:1426.0 164:192.0 165:163.0 166:132.0 167:773.0 168:83.0 169:38080.0 170:5755.0 171:4076.0 172:414.0 173:2115.0 174:375.0 175:1235.0 176:228.0 177:1453.0 178:156.0 179:253.0 180:69.0 181:1017.0 182:473.0 183:2982.0 184:570.0 185:615.0 186:57.0 187:537.0 188:109.0 189:10384.0 190:2641.0 191:19488.0 192:3548.0 193:1740.0 194:128.0 195:427.0 196:101.0 197:468.0 198:90.0 199:1485.0 200:252.0 201:678.0 202:384.0 203:3774.0 204:71887.0 205:18576.0 206:6935.0 207:1046.0 208:255.0 209:388.0 211:123.0 212:8.0 213:115.0 215:1818.0 216:596.0 217:54012.0 218:12434.0 219:5882.0 220:1008.0 221:2391.0 222:643.0 223:614.0 224:95.0 225:141.0 226:1.0 227:992.0 228:215.0 229:3205.0 230:6263.0 231:4755.0 232:1547.0 233:1894.0 234:607.0 235:387.0 236:33.0 237:97.0 238:31.0 239:199.0 241:1109.0 242:389.0 243:13574.0 244:3193.0 245:3755.0 246:777.0 247:2649.0 248:474.0 249:347.0 250:85.0 251:237.0 252:77.0 253:319.0 254:91.0 255:605.0 256:208.0 257:1959.0 258:580.0 259:1372.0 260:387.0 261:203.0 262:99.0 263:606.0 264:129.0 265:593.0 266:225.0 267:32.0 268:40.0 269:141.0 270:355.0 271:22099.0 272:5550.0 273:3465.0 274:627.0 275:684.0 276:181.0 277:243.0 278:231.0 279:256.0 280:55.0 282:284.0 283:184.0 284:85.0 285:134.0 286:1.0 287:228.0 288:141.0 289:735.0 290:186.0 291:1916.0 292:717.0 293:618.0 294:195.0 295:208.0 296:11.0 297:102.0 298:47.0 301:321.0 302:71.0 303:225.0 304:353.0 305:2430.0 306:1647.0 307:654.0 308:225.0 309:79.0 310:45.0 311:23.0 312:31.0 313:146.0 314:3.0 315:57.0 316:9.0 317:1373.0 318:575.0 319:4153.0 320:1316.0 321:643.0 322:175.0 323:99.0 324:26.0 325:264.0 326:43.0 327:39.0 328:142.0 329:161.0 330:91.0 331:3493.0 332:1321.0 333:954.0 334:241.0 335:125.0 336:50.0 337:39.0 338:50.0 339:24.0 340:93.0 341:216.0 342:36.0 343:222.0 344:261.0 345:798.0 346:313.0 347:419.0 348:121.0 349:189.0 350:19.0 351:34.0 355:516.0 356:95.0 357:45.0 359:271.0 360:1648.0 361:56898.0 362:19927.0 363:9358.0 364:2199.0 365:651.0 366:186.0 367:37.0 368:39.0 369:123.0 370:14.0 371:68.0 372:39.0 373:61.0 374:42.0 377:214.0 378:87.0 379:140.0 381:14.0 383:67.0 384:7.0 385:87.0 386:14.0 387:58.0 388:12.0 391:53.0 392:29.0 393:448.0 394:149.0 395:52.0 397:26.0 398:34.0 399:32.0 401:182.0 402:105.0 403:127.0 404:44.0 405:69.0 406:77.0 407:143.0 408:53.0 409:13.0 413:13.0 415:94.0 417:99.0 418:37.0 419:7.0 420:10.0 421:1.0 422:1.0 423:14.0 428:1.0 429:98.0 430:30.0 433:48.0 434:29.0 435:194.0 436:80.0 437:193.0 438:95.0 439:89.0 440:9.0 441:40.0 443:7.0 445:29.0 448:4.0 449:8.0 450:221.0 451:2247.0 452:1104.0 453:481.0 454:133.0 459:33.0 460:8.0 461:42.0 462:33.0 463:43.0 464:27.0 467:19.0 468:14.0 469:45.0 470:4.0 471:8.0 472:1.0 473:65.0 474:33.0 475:104.0 476:67.0 477:55.0 479:47.0 480:9.0 488:37.0 489:102.0 490:81.0 491:100.0 493:2.0
mannose	645856	205	18950	C00159	70	85:142.0 89:1499.0 90:197.0 97:127.0 100:159.0 101:419.0 103:3780.0 104:287.0 105:648.0 112:23.0 113:305.0 114:520.0 115:388.0 116:86.0 117:2228.0 118:207.0 119:568.0 124:18.0 125:22.0 129:3108.0 131:511.0 133:1928.0 134:567.0 135:210.0 141:65.0 143:275.0 144:234.0 147:7354.0 150:205.0 152:14.0 157:1447.0 158:309.0 159:104.0 160:3213.0 161:172.0 162:117.0 163:130.0 164:22.0 167:7.0 169:89.0 170:14.0 173:88.0 175:60.0 177:42.0 182:15.0 184:29.0 186:52.0 187:26.0 189:515.0 190:188.0 191:219.0 192:43.0 196:14.0 201:144.0 202:39.0 203:32.0 205:3704.0 206:597.0 207:409.0 209:33.0 211:114.0 214:12.0 215:50.0 216:172.0 217:1691.0 218:443.0 219:113.0 220:43.0 221:176.0 222:41.0 223:24.0 226:16.0 228:22.0 229:373.0 230:9.0 232:50.0 234:78.0 235:30.0 241:19.0 242:23.0 244:89.0 248:25.0 254:20.0 257:21.0 259:30.0 260:22.0 262:50.0 271:51.0 291:138.0 292:49.0 305:37.0 306:15.0 307:39.0 318:47.0 319:1902.0 320:541.0 322:17.0 372:13.0 476:16.0
maltose	946601	204	439186	C00208	1979	85:18.0 86:40.0 87:38.0 89:640.0 90:50.0 94:3.0 95:51.0 96:226.0 97:52.0 98:60.0 99:10.0 100:262.0 101:31.0 102:157.0 103:2571.0 104:171.0 105:231.0 108:7.0 109:86.0 111:17.0 112:13.0 113:130.0 114:62.0 116:82.0 117:1560.0 118:98.0 119:98.0 125:5.0 127:10.0 128:39.0 129:1849.0 130:331.0 131:223.0 132:24.0 133:813.0 134:81.0 140:25.0 141:77.0 142:107.0 143:428.0 145:58.0 147:3256.0 148:427.0 149:324.0 150:26.0 151:72.0 153:172.0 154:645.0 155:415.0 156:509.0 157:424.0 158:111.0 159:44.0 160:636.0 161:170.0 162:19.0 163:205.0 164:29.0 165:12.0 167:23.0 168:29.0 169:1498.0 170:149.0 171:74.0 173:51.0 174:285.0 175:35.0 177:64.0 179:112.0 180:55.0 183:16.0 184:2.0 185:19.0 189:468.0 190:38.0 191:829.0 192:158.0 193:141.0 195:14.0 198:67.0 199:25.0 201:40.0 203:320.0 204:4249.0 205:1631.0 206:496.0 208:114.0 210:84.0 212:27.0 213:4.0 215:9.0 216:59.0 217:2396.0 218:581.0 219:223.0 220:68.0 221:182.0 222:39.0 224:3.0 225:17.0 226:21.0 229:144.0 230:46.0 231:198.0 232:58.0 233:75.0 234:9.0 235:1.0 239:35.0 240:58.0 241:13.0 242:16.0 243:478.0 244:130.0 245:97.0 246:25.0 247:96.0 248:12.0 250:47.0 253:12.0 254:8.0 255:2.0 256:5.0 257:34.0 259:48.0 262:31.0 267:41.0 268:121.0 270:12.0 271:435.0 272:78.0 273:36.0 274:7.0 276:31.0 277:35.0 279:21.0 281:38.0 283:32.0 287:14.0 293:2.0 295:3.0 300:85.0 301:6.0 304:12.0 305:57.0 306:8.0 311:4.0 312:28.0 316:2.0 317:32.0 319:490.0 320:177.0 321:32.0 322:21.0 325:25.0 327:37.0 329:34.0 331:120.0 332:35.0 344:21.0 345:23.0 355:21.0 356:47.0 360:65.0 361:2593.0 362:908.0 363:420.0 364:61.0 365:43.0 366:24.0 368:5.0 370:6.0 375:15.0 378:8.0 379:19.0 383:1.0 388:12.0 390:30.0 391:7.0 398:50.0 400:33.0 401:44.0 415:58.0 420:25.0 423:9.0 426:1.0 451:20.0 453:2.0 477:8.0 480:84.0 481:2.0 482:8.0 486:18.0 494:39.0 495:20.0
malic acid	463180	233	525	C00711	1391	85:66.0 87:316.0 88:106.0 89:148.0 90:42.0 95:37.0 99:129.0 101:4462.0 102:488.0 103:641.0 104:93.0 105:294.0 115:533.0 116:432.0 117:2305.0 118:259.0 119:501.0 120:70.0 121:62.0 124:21.0 129:385.0 131:1945.0 132:129.0 133:6850.0 134:1075.0 135:667.0 136:51.0 137:33.0 139:20.0 142:41.0 143:745.0 144:107.0 145:145.0 147:21089.0 148:2969.0 149:2528.0 150:99.0 151:286.0 153:24.0 158:12.0 159:29.0 163:56.0 171:746.0 172:65.0 173:152.0 174:39.0 175:1710.0 176:253.0 177:569.0 178:101.0 185:29.0 189:1905.0 190:1476.0 191:1353.0 192:105.0 193:115.0 203:199.0 204:80.0 205:117.0 206:14.0 207:77.0 217:657.0 219:91.0 220:35.0 221:361.0 222:30.0 226:29.0 233:2954.0 234:575.0 235:253.0 236:55.0 245:1680.0 246:276.0 247:169.0 251:18.0 259:16.0 260:68.0 263:317.0 264:135.0 265:542.0 266:32.0 267:81.0 268:33.0 274:13.0 286:17.0 291:28.0 305:75.0 306:146.0 307:460.0 308:93.0 309:61.0 312:12.0 319:144.0 320:48.0 321:21.0 324:26.0 335:201.0 336:131.0 337:48.0 342:19.0 344:33.0 348:21.0 352:19.0 353:20.0 355:17.0 366:24.0 368:29.0 369:15.0 371:25.0 377:16.0 380:20.0 395:9.0 411:23.0 413:12.0 415:19.0 416:19.0 423:31.0 427:13.0 443:17.0 447:16.0 454:16.0 455:15.0 456:33.0 464:16.0 466:14.0 473:12.0 474:15.0 499:28.0
maleimide	245118	154	10935	C07272	1743	85:294.0 86:375.0 87:61.0 88:60.0 92:7.0 93:188.0 94:171.0 96:191.0 97:130.0 99:129.0 100:1406.0 101:44.0 102:144.0 103:750.0 105:72.0 107:179.0 110:1243.0 111:89.0 114:287.0 115:459.0 116:31.0 117:256.0 126:37.0 127:659.0 128:781.0 130:926.0 131:244.0 133:167.0 134:886.0 135:5.0 141:1.0 144:9.0 146:57.0 147:1899.0 149:79.0 150:32.0 154:6151.0 155:630.0 156:263.0 157:17.0 160:56.0 167:18.0 168:5.0 169:26.0 174:58.0 184:406.0 187:80.0 188:53.0 190:183.0 191:64.0 201:20.0 218:40.0 219:68.0 226:2.0 229:3.0 265:23.0 283:2.0 330:19.0 350:7.0 370:3.0 392:2.0 467:2.0
maleic acid	363611	245	444266	C01384	14714	85:300.0 86:27.0 87:53.0 88:3.0 89:7.0 90:9.0 92:15.0 93:51.0 97:3.0 98:245.0 99:110.0 100:25.0 101:8.0 102:26.0 103:103.0 104:2.0 105:20.0 106:28.0 107:81.0 108:16.0 110:4.0 111:2.0 113:162.0 114:6.0 115:612.0 116:5.0 117:167.0 118:22.0 119:32.0 120:3.0 123:2.0 126:363.0 127:156.0 128:46.0 129:24.0 130:87.0 131:191.0 133:608.0 134:197.0 135:49.0 136:9.0 137:1.0 138:1.0 143:343.0 144:5.0 145:15.0 146:37.0 147:13632.0 148:2105.0 149:1205.0 150:94.0 151:23.0 155:157.0 156:14.0 157:70.0 159:9.0 165:1.0 168:1.0 170:228.0 171:55.0 172:5.0 173:13.0 177:1.0 184:33.0 185:6.0 192:1.0 199:15.0 200:7.0 202:3.0 212:6.0 215:85.0 216:15.0 217:15.0 225:1.0 232:5.0 239:1.0 240:4.0 241:1.0 242:45.0 243:1.0 245:817.0 246:144.0 247:55.0 251:4.0 261:5.0 265:5.0 269:2.0 274:4.0 277:1.0 278:4.0 284:2.0 287:1.0 288:5.0 289:2.0 294:2.0 298:2.0 306:1.0 312:4.0 316:1.0 324:2.0 329:1.0 331:3.0 334:1.0 338:1.0 341:1.0 347:7.0 353:2.0 356:1.0 368:2.0 370:1.0 373:1.0 378:1.0 379:1.0 383:2.0 387:1.0 393:2.0 404:2.0 405:3.0 410:3.0 411:2.0 412:2.0 413:1.0 414:1.0 415:1.0 417:1.0 420:2.0 421:1.0 423:3.0 434:3.0 436:4.0 437:7.0 441:4.0 443:3.0 445:3.0 448:2.0 451:1.0 453:2.0 455:6.0 456:3.0 459:3.0 463:2.0 464:1.0 465:2.0 468:3.0 470:1.0 473:1.0 478:5.0 484:2.0 485:4.0 489:1.0 493:1.0 498:1.0 499:3.0
lyxitol	573587	217	439255	C00532	233	85:649.0 86:59.0 87:142.0 88:75.0 89:607.0 95:25.0 97:25.0 99:247.0 100:57.0 101:550.0 102:92.0 103:6136.0 104:480.0 105:198.0 106:44.0 111:98.0 112:73.0 113:193.0 114:48.0 115:140.0 116:225.0 117:3144.0 118:289.0 119:258.0 120:15.0 127:102.0 129:2235.0 130:260.0 131:777.0 133:1341.0 134:87.0 135:42.0 141:89.0 143:195.0 144:16.0 145:61.0 147:6082.0 148:964.0 149:538.0 150:39.0 151:43.0 157:231.0 158:21.0 160:137.0 177:54.0 189:540.0 190:85.0 191:309.0 203:174.0 204:488.0 205:1376.0 206:216.0 207:96.0 217:3703.0 218:809.0 219:291.0 220:32.0 221:109.0 225:17.0 226:17.0 231:27.0 233:18.0 243:85.0 244:50.0 258:24.0 261:22.0 265:13.0 267:18.0 277:132.0 278:58.0 279:41.0 280:13.0 287:16.0 289:17.0 306:27.0 307:408.0 308:138.0 309:59.0 319:290.0 320:103.0 321:74.0 358:14.0 372:24.0
lysine	663483	156	5962	C00047	12	85:2755.0 86:29130.0 87:3786.0 88:12077.0 89:1291.0 90:709.0 92:136.0 93:103.0 94:668.0 95:313.0 96:506.0 97:609.0 98:2819.0 99:1955.0 100:31497.0 101:4429.0 102:7671.0 103:3645.0 104:565.0 105:379.0 106:83.0 107:97.0 108:128.0 109:134.0 110:753.0 111:416.0 112:6522.0 113:2018.0 114:7116.0 115:10574.0 116:3465.0 117:4929.0 118:1028.0 119:900.0 120:191.0 121:127.0 123:145.0 124:606.0 125:212.0 126:2585.0 127:890.0 128:26290.0 129:4466.0 130:10847.0 131:6738.0 132:4508.0 133:6149.0 134:1147.0 135:446.0 136:164.0 137:87.0 138:490.0 139:364.0 140:4779.0 141:959.0 142:2987.0 143:733.0 144:945.0 145:366.0 146:4631.0 147:19359.0 148:3405.0 149:2181.0 150:370.0 151:803.0 152:303.0 153:342.0 154:12756.0 155:4130.0 156:76791.0 157:11196.0 158:4511.0 159:694.0 160:1657.0 161:389.0 162:279.0 163:194.0 164:207.0 165:79.0 166:971.0 167:543.0 168:665.0 169:235.0 170:669.0 171:213.0 172:2443.0 173:538.0 174:56553.0 175:9869.0 176:4416.0 177:481.0 178:80.0 179:20.0 180:41.0 181:86.0 182:316.0 183:184.0 184:486.0 185:201.0 186:1848.0 187:494.0 188:654.0 189:497.0 190:228.0 191:1071.0 192:171.0 193:95.0 196:57.0 198:177.0 199:144.0 200:4730.0 201:916.0 202:1665.0 203:494.0 204:290.0 205:118.0 206:87.0 207:45.0 212:365.0 213:404.0 214:1612.0 215:693.0 216:761.0 217:481.0 218:2436.0 219:842.0 220:589.0 221:357.0 222:91.0 223:85.0 224:57.0 225:87.0 226:147.0 227:253.0 228:3361.0 229:965.0 230:9677.0 231:2065.0 232:926.0 233:166.0 234:84.0 235:45.0 236:25.0 237:33.0 238:339.0 239:231.0 240:411.0 241:153.0 242:132.0 243:169.0 244:261.0 245:108.0 246:149.0 247:62.0 248:108.0 249:44.0 250:50.0 252:44.0 253:45.0 254:1013.0 255:485.0 256:307.0 257:183.0 258:311.0 259:140.0 260:184.0 261:68.0 262:81.0 266:91.0 267:49.0 269:68.0 271:69.0 272:363.0 273:584.0 274:308.0 275:95.0 276:49.0 285:15.0 286:23.0 288:52.0 289:58.0 291:32.0 292:18.0 295:17.0 299:46.0 300:27.0 301:76.0 302:142.0 303:70.0 304:99.0 305:35.0 314:22.0 315:52.0 316:163.0 317:9077.0 318:3043.0 319:1317.0 320:285.0 321:73.0 322:19.0 326:18.0 327:34.0 328:63.0 329:762.0 330:344.0 331:155.0 332:56.0 334:20.0 335:20.0 337:28.0 338:20.0 343:19.0 346:16.0 347:42.0 349:20.0 351:18.0 352:15.0 353:17.0 354:22.0 356:91.0 358:26.0 361:25.0 362:33.0 363:32.0 365:20.0 366:23.0 367:29.0 368:14.0 369:34.0 371:31.0 372:23.0 373:22.0 374:31.0 376:27.0 377:24.0 382:23.0 384:22.0 385:22.0 391:133.0 392:93.0 393:29.0 395:17.0 397:25.0 398:16.0 401:21.0 406:23.0 408:14.0 409:19.0 416:16.0 417:14.0 418:40.0 419:156.0 420:97.0 422:18.0 423:30.0 424:15.0 425:15.0 427:23.0 432:30.0 433:63.0 434:524.0 435:309.0 436:172.0 437:60.0 438:30.0 441:28.0 443:12.0 446:23.0 447:26.0 449:14.0 450:20.0 451:22.0 452:31.0 455:19.0 457:30.0 458:22.0 459:18.0 461:20.0 463:15.0 464:21.0 465:13.0 467:39.0 468:12.0 469:30.0 473:16.0 476:20.0 482:14.0 484:28.0 485:18.0 491:18.0 493:21.0 494:13.0
linoleic acid	777414	150	5280450	C01595	165	85:1534.0 86:470.0 87:386.0 88:244.0 89:1256.0 90:176.0 91:6885.0 92:1525.0 93:8654.0 94:6153.0 95:14372.0 96:7918.0 97:3896.0 98:518.0 99:829.0 100:115.0 101:441.0 102:166.0 103:421.0 104:436.0 105:2615.0 106:995.0 107:4482.0 108:3591.0 109:5935.0 110:3865.0 111:1556.0 112:178.0 113:194.0 115:385.0 116:1903.0 117:9875.0 118:1041.0 119:1844.0 120:836.0 121:4850.0 122:2280.0 123:2389.0 124:1664.0 125:673.0 126:42.0 127:232.0 128:199.0 129:13385.0 130:1387.0 131:4194.0 132:1042.0 133:1290.0 134:413.0 135:4167.0 136:2766.0 137:1121.0 138:862.0 139:465.0 140:86.0 141:177.0 142:150.0 143:1084.0 144:165.0 145:1654.0 146:352.0 147:623.0 148:351.0 149:2323.0 150:3479.0 151:868.0 152:405.0 153:252.0 155:283.0 156:152.0 157:540.0 158:129.0 159:621.0 160:135.0 161:262.0 162:59.0 163:1049.0 164:1507.0 165:445.0 166:242.0 167:200.0 168:67.0 169:258.0 170:152.0 171:422.0 172:159.0 173:692.0 174:134.0 175:42.0 176:40.0 177:531.0 178:1897.0 179:358.0 180:74.0 181:164.0 183:292.0 184:118.0 185:304.0 186:110.0 187:539.0 188:97.0 189:23.0 190:39.0 191:266.0 192:184.0 193:88.0 195:45.0 196:38.0 197:91.0 198:69.0 199:336.0 201:311.0 202:78.0 203:20.0 205:146.0 206:99.0 207:54.0 208:60.0 209:75.0 211:64.0 213:134.0 214:34.0 215:218.0 216:58.0 218:48.0 219:22.0 220:632.0 221:168.0 224:25.0 225:53.0 226:39.0 227:123.0 228:25.0 229:121.0 230:15.0 233:58.0 234:246.0 235:67.0 239:71.0 241:83.0 242:26.0 243:69.0 244:45.0 245:41.0 246:28.0 253:62.0 254:43.0 255:28.0 257:28.0 260:16.0 261:77.0 262:1657.0 263:366.0 270:13.0 271:26.0 274:35.0 282:34.0 283:24.0 289:15.0 290:62.0 312:28.0 319:22.0 336:90.0 337:1947.0 338:619.0 352:40.0 353:20.0 354:22.0 363:15.0 364:30.0 373:14.0 378:18.0 382:21.0 389:13.0 395:24.0 398:12.0 406:19.0 412:19.0 421:15.0 426:17.0 429:23.0 430:20.0 432:13.0 439:21.0 440:17.0 442:16.0 448:30.0 450:22.0 466:20.0 471:18.0 472:28.0 477:16.0 482:14.0 496:14.0
lignoceric acid	978597	132	11197	C08320	104210	85:2380.0 86:760.0 89:854.0 91:551.0 92:193.0 93:904.0 94:146.0 95:3048.0 96:974.0 97:3155.0 98:2298.0 99:1510.0 102:139.0 105:433.0 107:88.0 109:1019.0 111:1448.0 112:385.0 113:495.0 116:1737.0 117:37070.0 118:3596.0 119:1601.0 120:87.0 121:738.0 123:159.0 125:482.0 129:17441.0 130:2113.0 131:3037.0 132:17484.0 133:6436.0 134:1239.0 135:1008.0 143:1648.0 145:11762.0 146:1599.0 153:158.0 154:47.0 155:259.0 159:1011.0 162:64.0 167:131.0 168:105.0 171:704.0 172:104.0 173:613.0 175:60.0 178:46.0 182:62.0 185:1219.0 186:188.0 187:689.0 188:219.0 196:24.0 199:47.0 201:2508.0 202:356.0 203:227.0 210:65.0 213:56.0 216:17.0 224:50.0 225:41.0 227:129.0 228:72.0 230:21.0 231:86.0 241:189.0 242:52.0 253:61.0 255:12.0 256:26.0 257:410.0 269:163.0 274:29.0 275:37.0 284:51.0 287:27.0 293:34.0 299:41.0 301:19.0 308:18.0 311:18.0 341:151.0 344:12.0 350:46.0 351:31.0 381:41.0 383:57.0 396:54.0 397:46.0 402:47.0 424:150.0 425:1636.0 426:841.0 427:222.0 439:56.0 440:411.0 441:90.0
levoglucosan	569637	204	2724705		3169	85:775.0 87:165.0 88:163.0 89:177.0 90:42.0 91:21.0 92:2.0 95:13.0 97:132.0 98:53.0 99:731.0 100:180.0 101:2830.0 102:212.0 103:5456.0 104:270.0 105:366.0 109:317.0 111:424.0 112:33.0 113:818.0 114:131.0 115:724.0 116:1575.0 117:3643.0 118:337.0 119:568.0 120:38.0 125:69.0 126:44.0 127:263.0 129:5991.0 130:703.0 131:1830.0 132:221.0 133:3867.0 134:297.0 135:293.0 136:48.0 139:2.0 140:20.0 141:67.0 142:707.0 143:2053.0 144:218.0 145:219.0 147:6558.0 148:1314.0 149:885.0 150:45.0 151:30.0 152:134.0 153:72.0 155:1046.0 156:182.0 157:445.0 158:17.0 159:278.0 160:29.0 161:875.0 162:43.0 163:220.0 167:4.0 169:385.0 170:170.0 171:723.0 172:115.0 173:207.0 174:103.0 175:87.0 177:350.0 178:62.0 179:1.0 183:160.0 184:145.0 185:57.0 187:32.0 189:3977.0 190:805.0 191:2782.0 192:423.0 193:60.0 197:9.0 199:273.0 200:41.0 201:12.0 203:130.0 204:14366.0 205:2838.0 206:1173.0 215:94.0 216:36.0 217:10683.0 218:2168.0 219:865.0 220:238.0 229:39.0 230:12.0 231:181.0 232:38.0 233:36.0 242:41.0 243:548.0 244:83.0 245:150.0 246:42.0 260:134.0 261:58.0 262:3.0 273:79.0 317:106.0 318:9.0 332:69.0 333:1176.0 334:345.0 335:138.0
leucine	346357	158	6106	C00123	88421	85:2040.0 86:2126.0 87:2775.0 88:1401.0 89:3462.0 90:591.0 91:2381.0 92:1447.0 93:1888.0 94:327.0 95:755.0 96:903.0 97:576.0 98:1040.0 99:807.0 100:5071.0 101:1356.0 102:10051.0 103:9823.0 104:2138.0 105:4531.0 106:897.0 107:2995.0 108:268.0 109:811.0 110:613.0 111:134.0 112:235.0 113:439.0 114:344.0 115:8086.0 116:2810.0 117:3163.0 118:756.0 119:3916.0 120:691.0 121:3306.0 122:397.0 123:1227.0 124:62.0 125:133.0 126:361.0 127:1098.0 128:1048.0 129:509.0 130:2690.0 131:3660.0 132:1331.0 133:9494.0 134:3011.0 135:6263.0 136:741.0 137:3822.0 138:313.0 139:234.0 140:69.0 141:128.0 142:910.0 143:417.0 144:322.0 145:275.0 146:405.0 147:9594.0 148:1248.0 149:897.0 150:236.0 151:2293.0 152:232.0 153:397.0 154:32.0 155:94.0 156:244.0 157:238.0 158:39686.0 159:6025.0 160:1798.0 161:339.0 162:75.0 163:595.0 164:123.0 165:1188.0 166:62.0 167:832.0 168:30.0 169:50.0 170:500.0 171:228.0 172:164.0 173:96.0 174:163.0 175:109.0 176:235.0 177:634.0 178:80.0 179:381.0 180:59.0 181:2253.0 182:161.0 183:724.0 184:298.0 185:70.0 186:102.0 187:45.0 188:126.0 189:307.0 190:22.0 191:2094.0 192:216.0 193:2104.0 194:68.0 195:96.0 196:65.0 197:164.0 199:18.0 200:58.0 202:133.0 203:83.0 204:67.0 205:4.0 210:23.0 211:4203.0 212:91.0 214:30.0 215:14.0 216:64.0 217:51.0 218:1156.0 219:312.0 220:72.0 225:1186.0 226:32.0 227:138.0 229:42.0 230:43.0 231:60.0 232:1314.0 233:355.0 234:172.0 235:30.0 236:24.0 238:7.0 239:27.0 240:30.0 241:16.0 242:1.0 243:6.0 244:4.0 245:42.0 246:3.0 247:15.0 248:30.0 249:33.0 250:21.0 251:22.0 252:52.0 253:177.0 254:40.0 255:99.0 256:40.0 257:22.0 258:35.0 259:70.0 260:400.0 261:131.0 262:25.0 263:24.0 264:12.0 265:22.0 266:41.0 267:205.0 269:320.0 271:64.0 273:12.0 274:14.0 276:14.0 277:24.0 278:9.0 279:40.0 280:10.0 281:13.0 282:51.0 283:4640.0 284:700.0 285:698.0 286:125.0 287:40.0 288:6.0 289:35.0 290:39.0 291:43.0 292:40.0 293:45.0 294:7.0 295:8.0 296:10.0 297:62.0 298:1441.0 299:111362.0 300:22417.0 301:9832.0 302:1392.0 303:262.0 304:55.0 305:42.0 306:12.0 313:73.0 314:9689.0 315:2167.0 316:829.0 317:102.0 318:42.0 319:23.0 320:5.0 330:5.0 331:26.0 332:21.0 333:27.0 334:30.0 335:42.0 336:17.0 337:14.0 339:19.0 341:13.0 343:15.0 344:2.0 345:3.0 346:2.0 347:15.0 348:10.0 350:26.0 351:26.0 352:24.0 353:14.0 354:44.0 355:36.0 356:17.0 357:6.0 358:14.0 359:116.0 360:49.0 361:17.0 363:6.0 364:12.0 365:19.0 367:34.0 368:4.0 369:46.0 370:60.0 371:46.0 372:32.0 373:417.0 374:140.0 375:104.0 376:14.0 377:42.0 378:37.0 380:40.0 381:5.0 382:8.0 383:35.0 384:25.0 385:19.0 386:14.0 388:8.0 389:1.0 392:19.0 393:23.0 395:20.0 396:31.0 398:3.0 399:7.0 401:26.0 402:29.0 403:13.0 404:19.0 405:1.0 406:2.0 407:43.0 408:26.0 409:9.0 410:25.0 411:8.0 412:32.0 413:3.0 414:11.0 416:24.0 417:34.0 418:5.0 419:29.0 420:15.0 421:8.0 422:46.0 424:39.0 425:29.0 426:7.0 427:8.0 429:12.0 430:38.0 432:23.0 434:30.0 436:14.0 437:18.0 439:32.0 441:20.0 442:11.0 444:6.0 446:6.0 447:26.0 450:6.0 457:3.0 458:9.0 459:17.0 460:10.0 461:10.0 463:3.0 464:6.0 465:14.0 466:12.0 467:12.0 468:42.0 469:26.0 470:8.0 472:8.0 473:44.0 474:23.0 475:5.0 476:14.0 477:2.0 478:42.0 479:23.0 480:10.0 481:13.0 482:8.0 483:21.0 484:1.0 485:18.0 486:9.0 487:17.0 489:8.0 490:20.0 491:12.0 494:4.0 495:11.0 496:9.0 497:4.0 498:29.0 499:10.0 500:24.0
lauric acid	547906	117	3893	C02679	49	85:168.0 86:141.0 87:101.0 89:291.0 93:60.0 95:377.0 96:145.0 97:251.0 98:244.0 101:191.0 104:48.0 105:176.0 109:155.0 111:88.0 115:37.0 116:428.0 117:7512.0 118:665.0 119:226.0 120:42.0 122:42.0 129:2879.0 130:369.0 131:1222.0 132:1823.0 133:146.0 134:55.0 139:64.0 143:180.0 145:762.0 146:42.0 147:217.0 153:16.0 154:30.0 157:84.0 160:63.0 169:49.0 171:95.0 176:32.0 179:30.0 185:98.0 186:22.0 187:100.0 201:77.0 202:43.0 215:71.0 232:37.0 233:29.0 245:67.0 249:19.0 253:12.0 256:32.0 257:1156.0 258:137.0 269:48.0 272:35.0 273:24.0 286:16.0 350:23.0 389:23.0 393:27.0 412:26.0 417:29.0 426:21.0 436:21.0 442:29.0 444:44.0 451:21.0 457:30.0 459:32.0 461:33.0 464:14.0 473:19.0 490:25.0 495:40.0 496:35.0
lanosterol	1129573	393	246983	C01724	133475	85:152.0 89:169.0 90:94.0 91:1921.0 92:19.0 93:2077.0 94:52.0 95:3842.0 97:516.0 99:52.0 105:2219.0 106:12.0 107:1700.0 108:346.0 109:4194.0 110:216.0 111:445.0 112:84.0 113:122.0 114:51.0 115:253.0 116:154.0 117:525.0 118:169.0 119:2072.0 120:355.0 121:1946.0 122:369.0 123:1151.0 124:169.0 125:51.0 128:314.0 129:1491.0 130:162.0 131:1128.0 132:215.0 133:1272.0 134:213.0 135:1731.0 136:294.0 137:645.0 138:41.0 139:57.0 140:40.0 141:229.0 142:214.0 143:718.0 144:239.0 145:1267.0 146:155.0 147:701.0 149:600.0 151:191.0 152:97.0 153:92.0 154:90.0 155:215.0 156:204.0 157:861.0 158:240.0 159:1060.0 160:358.0 161:1080.0 162:220.0 163:528.0 164:36.0 165:229.0 167:58.0 168:73.0 169:213.0 170:137.0 171:598.0 172:150.0 173:934.0 174:83.0 175:712.0 176:148.0 177:193.0 178:108.0 179:107.0 180:31.0 181:86.0 182:62.0 183:118.0 185:465.0 186:137.0 187:1184.0 188:238.0 189:946.0 190:270.0 191:89.0 192:140.0 194:34.0 195:40.0 196:18.0 197:106.0 198:100.0 199:451.0 200:119.0 201:580.0 202:23.0 203:433.0 204:123.0 205:121.0 206:67.0 207:283.0 208:105.0 211:234.0 212:123.0 213:475.0 214:252.0 215:696.0 216:104.0 217:213.0 218:36.0 219:81.0 220:14.0 221:98.0 224:21.0 225:214.0 226:61.0 227:651.0 228:175.0 229:361.0 230:37.0 231:129.0 234:41.0 235:32.0 236:31.0 238:29.0 239:93.0 240:66.0 241:1045.0 242:258.0 243:298.0 244:112.0 246:38.0 247:25.0 253:99.0 255:518.0 256:141.0 257:232.0 258:15.0 260:20.0 262:24.0 266:52.0 268:28.0 269:222.0 270:94.0 272:106.0 273:99.0 277:31.0 278:20.0 281:140.0 282:57.0 283:217.0 284:44.0 285:68.0 286:55.0 290:23.0 291:30.0 293:23.0 294:19.0 295:89.0 296:10.0 297:49.0 298:13.0 301:31.0 302:43.0 304:26.0 306:56.0 307:23.0 309:131.0 310:51.0 311:228.0 312:12.0 315:41.0 317:40.0 318:23.0 319:60.0 323:137.0 329:57.0 330:32.0 331:90.0 333:32.0 335:33.0 338:57.0 341:11.0 345:46.0 346:9.0 347:19.0 350:79.0 351:34.0 352:8.0 353:35.0 354:7.0 355:18.0 358:18.0 360:58.0 361:32.0 362:14.0 363:7.0 366:39.0 367:23.0 368:33.0 369:20.0 376:34.0 377:46.0 379:46.0 380:45.0 381:12.0 384:36.0 386:50.0 387:22.0 388:14.0 389:32.0 392:130.0 393:2643.0 394:1284.0 395:228.0 397:33.0 399:21.0 400:13.0 401:21.0 402:27.0 405:29.0 406:23.0 407:37.0 409:56.0 410:37.0 413:60.0 414:45.0 415:56.0 416:43.0 417:33.0 418:26.0 427:33.0 428:40.0 429:43.0 430:28.0 431:8.0 433:24.0 435:28.0 436:6.0 437:18.0 438:50.0 440:16.0 441:37.0 442:13.0 445:30.0 447:26.0 449:21.0 450:23.0 451:45.0 452:12.0 453:31.0 454:23.0 455:13.0 459:18.0 465:16.0 466:15.0 470:24.0 472:20.0 475:35.0 476:42.0 478:14.0 479:14.0 482:86.0 483:651.0 484:412.0 485:229.0 486:75.0 487:15.0 491:31.0 492:16.0 493:28.0 495:17.0 497:105.0 498:563.0 499:324.0 500:63.0
lactitol	959541	361	157355	C13542	62247	85:15165.0 86:3999.0 87:9771.0 88:6313.0 89:90957.0 90:7984.0 91:5304.0 92:614.0 93:862.0 94:1584.0 95:2674.0 96:1615.0 97:15793.0 98:2935.0 99:12184.0 100:25041.0 101:32274.0 102:16565.0 103:350649.0 104:34478.0 105:29796.0 106:4794.0 107:1805.0 108:900.0 109:11519.0 110:2403.0 111:9672.0 112:2642.0 113:15560.0 114:7078.0 115:12952.0 116:16047.0 117:175394.0 118:18910.0 119:17415.0 120:1844.0 121:1309.0 122:349.0 123:1058.0 124:692.0 125:2841.0 126:3313.0 127:11467.0 128:4553.0 129:196920.0 130:30323.0 131:50396.0 132:8354.0 133:103985.0 134:14024.0 135:9471.0 136:1335.0 137:788.0 138:1234.0 139:4865.0 140:2530.0 141:9059.0 142:8345.0 143:40405.0 144:6056.0 145:12866.0 146:2922.0 147:471515.0 148:75184.0 149:54704.0 150:6881.0 151:4197.0 152:2012.0 153:7011.0 154:3612.0 155:29245.0 156:7040.0 157:39439.0 158:7764.0 159:10227.0 160:66365.0 161:17357.0 162:4580.0 163:17182.0 164:2863.0 165:1924.0 166:1127.0 167:2815.0 168:3125.0 169:142746.0 170:23030.0 171:12508.0 172:5918.0 173:13036.0 174:5032.0 175:7884.0 176:1710.0 177:8679.0 178:4064.0 179:4487.0 180:2607.0 181:3144.0 182:1804.0 183:8491.0 184:1969.0 185:3434.0 186:5491.0 187:4287.0 188:2394.0 189:51721.0 190:13145.0 191:80580.0 192:15270.0 193:8099.0 194:1446.0 195:1758.0 196:3045.0 197:1946.0 198:1882.0 199:4213.0 200:2144.0 201:5840.0 202:2780.0 203:18894.0 204:400181.0 205:162259.0 206:50527.0 207:18641.0 208:3215.0 209:1309.0 210:3921.0 211:1692.0 212:909.0 213:880.0 214:2374.0 215:7428.0 216:4200.0 217:228193.0 218:53174.0 219:26785.0 220:5303.0 221:14376.0 222:3199.0 223:2358.0 224:652.0 225:611.0 226:892.0 227:4131.0 228:2913.0 229:18793.0 230:10159.0 231:23796.0 232:7905.0 233:22153.0 234:5588.0 235:8279.0 236:1715.0 237:1143.0 238:498.0 239:1091.0 240:1633.0 241:5469.0 242:3560.0 243:53324.0 244:14522.0 245:14839.0 246:5993.0 247:9551.0 248:2441.0 249:1669.0 250:599.0 251:405.0 252:546.0 253:652.0 254:832.0 255:2924.0 256:2134.0 257:5648.0 258:2150.0 259:8471.0 260:2653.0 261:2044.0 262:1835.0 263:1343.0 264:523.0 265:3181.0 266:919.0 267:750.0 268:5820.0 269:3287.0 270:3121.0 271:56113.0 272:14246.0 273:12759.0 274:5171.0 275:3698.0 276:1701.0 277:1542.0 278:1296.0 279:1174.0 280:300.0 281:312.0 282:414.0 283:916.0 284:743.0 285:873.0 286:1024.0 287:867.0 288:771.0 289:1313.0 290:726.0 291:6890.0 292:2359.0 293:1821.0 294:693.0 295:424.0 296:314.0 297:546.0 298:377.0 300:12378.0 301:3575.0 302:1872.0 303:1232.0 304:2714.0 305:10972.0 306:4078.0 307:5034.0 308:1454.0 309:842.0 310:525.0 311:396.0 312:310.0 313:588.0 314:600.0 315:576.0 316:611.0 317:4399.0 318:3604.0 319:48555.0 320:15884.0 321:8099.0 322:1941.0 323:589.0 325:223.0 326:178.0 327:393.0 328:718.0 329:542.0 330:834.0 331:13130.0 332:8298.0 333:4670.0 334:1732.0 335:1008.0 336:404.0 337:840.0 338:430.0 339:273.0 340:209.0 341:250.0 342:485.0 343:664.0 344:680.0 345:3966.0 346:2194.0 347:2087.0 348:835.0 349:673.0 350:298.0 351:208.0 352:125.0 353:140.0 354:123.0 355:140.0 356:122.0 357:399.0 358:853.0 359:1798.0 360:6392.0 361:255014.0 362:87272.0 363:43320.0 364:10605.0 365:3382.0 366:699.0 367:254.0 368:95.0 369:40.0 370:57.0 371:124.0 372:162.0 373:1924.0 374:1472.0 375:708.0 376:1620.0 377:896.0 378:527.0 379:592.0 380:248.0 381:218.0 382:89.0 383:115.0 384:128.0 385:320.0 386:342.0 387:263.0 388:270.0 389:536.0 390:5788.0 391:2341.0 392:1222.0 393:821.0 394:374.0 395:183.0 396:123.0 397:59.0 398:118.0 399:101.0 400:175.0 401:185.0 402:280.0 403:313.0 404:250.0 405:401.0 406:333.0 407:282.0 408:382.0 409:1038.0 410:484.0 411:297.0 412:169.0 413:134.0 414:85.0 415:248.0 416:152.0 417:154.0 418:156.0 419:226.0 420:225.0 421:509.0 422:380.0 423:263.0 424:121.0 425:141.0 426:128.0 427:552.0 428:355.0 429:259.0 430:134.0 431:156.0 432:260.0 433:352.0 434:316.0 435:999.0 436:573.0 437:441.0 438:216.0 439:136.0 440:82.0 441:87.0 442:95.0 443:82.0 444:80.0 445:107.0 446:125.0 447:128.0 448:401.0 449:483.0 450:1178.0 451:5184.0 452:2488.0 453:1301.0 454:543.0 455:179.0 456:126.0 457:56.0 458:67.0 459:116.0 460:141.0 461:117.0 462:226.0 463:1243.0 464:783.0 465:503.0 466:391.0 467:205.0 468:137.0 469:90.0 470:71.0 471:64.0 472:77.0 473:97.0 474:134.0 475:381.0 476:312.0 477:284.0 478:407.0 479:434.0 480:957.0 481:591.0 482:331.0 483:183.0 484:102.0 485:105.0 486:84.0 487:87.0 488:44.0 489:90.0 490:211.0 491:199.0 492:155.0 493:125.0 494:113.0 495:70.0 496:83.0 497:99.0 498:111.0 499:98.0 500:104.0
lactic acid	217657	191	612	C01432	80	85:8684.0 86:6573.0 87:72227.0 88:111565.0 89:22391.0 90:1554.0 91:2622.0 92:778.0 93:502.0 94:4760.0 95:1164.0 96:739.0 97:892.0 98:246.0 99:4891.0 100:2372.0 101:61750.0 102:48891.0 103:46949.0 104:6822.0 105:17397.0 106:1817.0 107:2274.0 108:297.0 109:91.0 111:450.0 113:4576.0 114:1039.0 115:35415.0 116:15880.0 117:1091636.0 118:122979.0 119:56962.0 120:3499.0 121:613.0 126:206.0 127:1515.0 128:232.0 129:21595.0 130:2560.0 131:73022.0 132:12571.0 133:150112.0 134:23790.0 135:12422.0 136:1035.0 137:319.0 141:59.0 143:703.0 144:379.0 145:1599.0 146:1603.0 147:1233845.0 148:206049.0 149:109315.0 150:10259.0 151:1388.0 159:535.0 161:458.0 162:131.0 163:508.0 164:179.0 167:62.0 170:79.0 171:131.0 172:124.0 173:211.0 175:8086.0 176:1623.0 177:440.0 180:153.0 181:108.0 182:125.0 183:84.0 184:1130.0 185:407.0 186:223.0 187:68.0 188:179.0 189:308.0 190:122494.0 191:195244.0 192:43519.0 193:16179.0 194:1913.0 195:299.0 196:58.0 203:6144.0 204:1185.0 205:467.0 206:152.0 207:160.0 208:134.0 209:142.0 211:171.0 212:129.0 214:35.0 217:659.0 218:304.0 219:43925.0 220:8054.0 221:3693.0 222:384.0 223:113.0 227:50.0 231:26.0 233:188.0 239:54.0 240:82.0 241:90.0 243:54.0 245:37.0 246:66.0 247:151.0 248:86.0 251:57.0 252:72.0 255:78.0 258:43.0 259:64.0 260:10.0 261:69.0 263:74.0 265:105.0 266:36.0 267:120.0 268:79.0 269:53.0 270:54.0 272:51.0 274:55.0 276:12.0 278:89.0 280:107.0 281:146.0 282:99.0 283:61.0 284:76.0 285:69.0 287:47.0 290:58.0 291:70.0 292:65.0 293:81.0 295:71.0 299:107.0 300:77.0 305:70.0 307:98.0 309:67.0 312:50.0 313:86.0 314:73.0 315:86.0 317:80.0 318:45.0 319:86.0 321:31.0 322:58.0 323:91.0 324:88.0 325:90.0 326:67.0 327:87.0 329:88.0 334:40.0 335:60.0 337:75.0 338:77.0 342:93.0 343:72.0 345:69.0 346:101.0 347:63.0 348:101.0 349:62.0 350:96.0 352:95.0 353:57.0 356:62.0 357:42.0 362:89.0 363:60.0 364:36.0 365:78.0 366:76.0 367:64.0 368:45.0 371:46.0 372:84.0 373:71.0 375:56.0 376:94.0 380:41.0 382:65.0 383:40.0 384:63.0 385:74.0 387:90.0 388:11.0 389:71.0 390:27.0 392:37.0 393:38.0 394:9.0 395:62.0 396:80.0 398:44.0 400:22.0 402:42.0 403:66.0 405:84.0 407:69.0 408:46.0 409:72.0 411:61.0 412:42.0 413:8.0 414:27.0 416:57.0 417:72.0 418:61.0 419:57.0 420:71.0 421:83.0 425:77.0 426:36.0 427:72.0 428:67.0 431:69.0 433:99.0 434:90.0 435:22.0 436:72.0 439:58.0 440:47.0 442:55.0 444:77.0 447:79.0 449:57.0 451:58.0 452:82.0 453:65.0 454:26.0 456:80.0 457:46.0 458:58.0 459:89.0 460:46.0 463:78.0 466:51.0 467:57.0 469:65.0 470:40.0 472:49.0 473:25.0 474:70.0 476:64.0 477:13.0 478:94.0 480:69.0 481:62.0 482:64.0 483:42.0 485:69.0 486:83.0 490:47.0 491:78.0 493:76.0 494:26.0 495:85.0 496:86.0 500:27.0
itaconic acid	386511	147	811	C00490	101725	92:53.0 94:44.0 95:223.0 96:124.0 97:3511.0 98:1385.0 101:481.0 103:529.0 104:70.0 105:199.0 111:73.0 112:51.0 113:132.0 115:136.0 116:86.0 118:39.0 119:269.0 120:15.0 122:569.0 123:35.0 125:60.0 126:53.0 127:28.0 131:790.0 132:78.0 133:1425.0 135:116.0 140:253.0 141:906.0 142:427.0 143:125.0 144:23.0 145:19.0 146:82.0 147:38445.0 148:6215.0 149:3614.0 151:19.0 155:64.0 156:81.0 157:185.0 159:50.0 160:27.0 170:24.0 173:97.0 187:261.0 202:68.0 215:1190.0 230:254.0 259:1290.0 260:43.0 416:14.0
isothreonic acid	489385	292	151152	C00639	1679	85:304.0 86:391.0 88:631.0 89:4158.0 90:414.0 91:179.0 92:233.0 93:215.0 94:45.0 96:145.0 97:116.0 98:15.0 99:816.0 100:110.0 101:2762.0 102:21122.0 103:20966.0 104:2634.0 105:1408.0 106:64.0 107:560.0 108:290.0 109:71.0 110:395.0 111:105.0 113:1032.0 114:253.0 115:1508.0 116:877.0 117:33848.0 118:3267.0 119:2907.0 120:140.0 121:96.0 122:8.0 124:18.0 125:13.0 127:531.0 128:50.0 129:6995.0 130:17816.0 131:9728.0 132:2127.0 133:13693.0 134:2261.0 135:1252.0 136:37.0 137:70.0 141:279.0 143:5323.0 144:512.0 145:511.0 146:508.0 147:89541.0 148:14484.0 149:8621.0 150:1069.0 151:554.0 152:43.0 153:93.0 154:4.0 155:7.0 157:903.0 159:246.0 161:501.0 162:71.0 163:1006.0 164:236.0 165:241.0 166:13.0 167:3.0 168:40.0 169:26.0 170:89.0 172:176.0 173:230.0 175:799.0 176:118.0 177:3522.0 178:628.0 179:286.0 180:26.0 181:74.0 185:128.0 186:51.0 187:91.0 188:52.0 189:4147.0 190:923.0 191:1643.0 192:325.0 193:329.0 194:77.0 195:56.0 199:88.0 200:80.0 201:125.0 202:1.0 203:1318.0 204:2518.0 205:17229.0 206:3365.0 207:2844.0 208:477.0 209:217.0 210:57.0 211:49.0 212:26.0 213:1.0 215:166.0 216:68.0 217:14540.0 218:2990.0 219:1780.0 220:18784.0 221:7856.0 222:2654.0 223:859.0 224:149.0 225:56.0 226:73.0 229:1.0 230:18.0 231:282.0 232:47.0 233:93.0 234:31.0 235:42.0 237:190.0 238:29.0 239:10.0 243:2.0 244:29.0 245:1906.0 246:476.0 247:394.0 248:48.0 249:40.0 251:6.0 252:11.0 253:11.0 255:6.0 257:1.0 262:17.0 263:57.0 265:42.0 267:123.0 268:27.0 270:12.0 276:37.0 277:610.0 278:168.0 279:84.0 281:28.0 283:114.0 290:42.0 291:2248.0 292:22023.0 293:6532.0 294:3129.0 295:766.0 296:201.0 297:48.0 300:12.0 305:306.0 306:53.0 307:114.0 309:3.0 312:27.0 313:2.0 319:1701.0 320:478.0 321:327.0 322:69.0 323:68.0 325:132.0 328:1.0 334:26.0 339:20.0 341:97.0 342:22.0 343:12.0 347:2.0 349:1.0 351:1.0 354:22.0 355:72.0 356:1.0 361:7.0 364:30.0 370:1.0 371:73.0 372:66.0 373:46.0 379:358.0 380:187.0 381:71.0 382:9.0 390:2.0 400:4.0 408:17.0 409:469.0 410:241.0 411:68.0 412:15.0 418:19.0 419:1.0 427:17.0 431:24.0 448:47.0 450:22.0 467:17.0 468:1.0 472:23.0 475:13.0 480:2.0 492:6.0
isomaltose	983199	160	439193	C00252	127715	87:1211.0 88:604.0 89:4249.0 90:267.0 91:161.0 92:118.0 93:181.0 94:152.0 95:320.0 96:360.0 97:526.0 98:240.0 100:1628.0 101:6670.0 102:1545.0 103:10592.0 104:885.0 105:2387.0 107:114.0 108:114.0 109:551.0 110:107.0 111:1453.0 112:323.0 113:908.0 115:449.0 116:1006.0 117:8267.0 118:577.0 119:1599.0 124:48.0 125:234.0 126:350.0 127:713.0 128:652.0 129:7394.0 130:2008.0 131:1916.0 132:620.0 133:6092.0 135:493.0 136:199.0 137:107.0 139:223.0 141:487.0 142:1161.0 143:2502.0 144:464.0 145:1433.0 146:447.0 147:28088.0 148:932.0 149:2751.0 150:302.0 152:84.0 153:312.0 154:174.0 155:1439.0 156:1653.0 157:582.0 158:235.0 160:7024.0 161:3299.0 162:581.0 163:1226.0 166:98.0 169:5473.0 170:852.0 172:272.0 173:483.0 174:1412.0 178:183.0 180:181.0 181:196.0 182:146.0 183:317.0 185:207.0 186:330.0 187:35.0 188:51.0 189:3466.0 190:769.0 191:2297.0 192:988.0 193:1287.0 198:179.0 201:438.0 202:197.0 203:1430.0 204:16821.0 205:4017.0 206:1956.0 207:3143.0 208:603.0 210:168.0 211:79.0 212:164.0 214:292.0 215:409.0 216:148.0 217:12202.0 218:718.0 219:1108.0 220:139.0 221:710.0 222:356.0 223:167.0 225:121.0 226:73.0 227:217.0 229:697.0 230:452.0 231:826.0 232:405.0 233:403.0 234:41.0 240:207.0 241:247.0 243:2022.0 244:682.0 245:474.0 246:232.0 249:227.0 250:118.0 252:68.0 259:338.0 260:88.0 262:138.0 263:54.0 264:59.0 265:224.0 266:33.0 268:143.0 270:69.0 271:2319.0 273:410.0 274:307.0 276:185.0 277:160.0 278:58.0 279:43.0 281:384.0 282:213.0 283:153.0 292:178.0 296:70.0 298:36.0 299:25.0 300:244.0 301:100.0 302:43.0 305:508.0 307:436.0 308:122.0 309:79.0 313:64.0 318:119.0 319:802.0 321:10.0 327:200.0 332:232.0 337:53.0 342:169.0 344:62.0 345:113.0 349:22.0 351:46.0 355:271.0 357:28.0 359:114.0 361:7286.0 362:862.0 363:1204.0 364:530.0 365:167.0 372:109.0 373:297.0 375:37.0 376:71.0 377:21.0 378:14.0 379:52.0 380:19.0 381:31.0 382:36.0 389:106.0 392:50.0 395:29.0 400:69.0 414:57.0 420:48.0 432:41.0 435:38.0 436:39.0 437:84.0 440:24.0 443:37.0 447:40.0 448:69.0 453:53.0 456:29.0 457:20.0 466:23.0 469:42.0 470:26.0 482:80.0 497:31.0
isoleucine	359251	158	6306	C00407	15	85:1549.0 86:3001.0 87:645.0 88:285.0 89:271.0 90:580.0 91:64.0 92:52.0 95:58.0 96:323.0 97:189.0 98:829.0 99:977.0 100:9875.0 101:1414.0 102:3456.0 103:1535.0 104:311.0 105:134.0 111:127.0 112:440.0 113:373.0 114:1505.0 115:765.0 116:651.0 118:274.0 119:292.0 121:53.0 123:27.0 126:183.0 128:1693.0 129:920.0 130:964.0 131:1559.0 132:2068.0 133:2024.0 135:106.0 142:989.0 143:511.0 144:398.0 145:30.0 146:574.0 147:8578.0 148:1508.0 149:662.0 156:373.0 157:197.0 158:52381.0 159:6934.0 160:2388.0 161:185.0 163:238.0 164:66.0 170:687.0 172:61.0 173:85.0 176:60.0 177:63.0 203:328.0 216:73.0 218:7253.0 219:1298.0 220:481.0 221:49.0 230:56.0 232:1531.0 233:402.0 234:118.0 236:15.0 241:39.0 246:59.0 260:235.0 261:90.0 262:28.0 280:11.0 304:35.0 313:31.0 333:17.0 341:27.0 382:28.0 396:22.0 398:26.0 405:17.0 421:16.0 458:22.0 468:21.0
isohexonic acid	698302	333	604		100866	85:4516.0 86:1527.0 87:7244.0 88:3762.0 89:20346.0 90:1668.0 91:1161.0 92:385.0 93:296.0 94:327.0 95:832.0 96:443.0 97:3951.0 98:678.0 99:5414.0 100:1202.0 101:19281.0 102:19463.0 103:145699.0 104:14299.0 105:7979.0 106:535.0 107:1368.0 108:238.0 109:357.0 110:174.0 111:2060.0 112:443.0 113:4047.0 114:728.0 115:6155.0 116:5400.0 117:71550.0 118:7479.0 119:7784.0 120:708.0 121:457.0 122:71.0 123:259.0 124:139.0 125:757.0 126:430.0 127:2683.0 128:684.0 129:52214.0 130:14079.0 131:28017.0 132:4539.0 133:52707.0 134:6969.0 135:4442.0 136:377.0 137:346.0 138:125.0 139:271.0 140:260.0 141:1695.0 142:1224.0 143:32451.0 144:3975.0 145:3735.0 146:863.0 147:302515.0 148:46818.0 149:31672.0 150:3062.0 151:1525.0 152:206.0 153:1863.0 154:434.0 155:1006.0 156:587.0 157:22594.0 158:2634.0 159:2454.0 160:362.0 161:1900.0 162:418.0 163:2712.0 164:457.0 165:327.0 166:113.0 167:150.0 168:119.0 169:5145.0 170:908.0 171:5586.0 172:759.0 173:1532.0 174:375.0 175:4617.0 176:853.0 177:2120.0 178:399.0 179:310.0 180:151.0 181:215.0 182:136.0 183:338.0 184:206.0 185:555.0 186:204.0 187:564.0 188:221.0 189:35656.0 190:9154.0 191:17814.0 192:2971.0 193:1738.0 194:299.0 195:122.0 196:119.0 197:2601.0 198:397.0 199:356.0 200:149.0 201:1292.0 202:588.0 203:2636.0 204:27189.0 205:62463.0 206:13493.0 207:10555.0 208:1621.0 209:782.0 210:195.0 211:140.0 212:65.0 213:254.0 214:217.0 215:1288.0 216:592.0 217:77350.0 218:16976.0 219:13477.0 220:4181.0 221:13929.0 222:3071.0 223:1629.0 224:365.0 225:243.0 226:108.0 227:822.0 228:251.0 229:7050.0 230:1931.0 231:3220.0 232:1037.0 233:636.0 234:181.0 235:218.0 236:180.0 237:145.0 238:181.0 239:101.0 240:134.0 241:960.0 242:356.0 243:1933.0 244:806.0 245:4473.0 246:1083.0 247:1020.0 248:298.0 249:246.0 250:109.0 251:176.0 252:70.0 253:133.0 254:104.0 255:170.0 256:85.0 257:713.0 258:232.0 259:933.0 260:282.0 261:281.0 262:104.0 263:504.0 264:254.0 265:917.0 266:344.0 267:231.0 268:76.0 269:1304.0 270:386.0 271:745.0 272:244.0 273:317.0 274:40.0 275:82.0 276:175.0 277:10637.0 278:3741.0 279:1964.0 280:526.0 281:221.0 282:24.0 283:81.0 284:43.0 285:116.0 286:61.0 287:165.0 288:117.0 289:226.0 290:171.0 291:5313.0 292:43850.0 293:14631.0 294:6640.0 295:1458.0 296:362.0 297:73.0 298:23.0 299:75.0 300:36.0 301:151.0 303:355.0 304:839.0 305:27544.0 306:10022.0 307:9312.0 308:2495.0 309:988.0 310:155.0 311:87.0 312:57.0 313:39.0 314:89.0 315:995.0 316:460.0 317:797.0 318:1072.0 319:27789.0 320:9253.0 321:5902.0 322:1471.0 323:485.0 324:120.0 325:103.0 326:61.0 329:65.0 330:181.0 331:2892.0 332:2166.0 333:39868.0 334:14092.0 335:6491.0 336:1490.0 337:282.0 338:139.0 339:62.0 340:62.0 342:56.0 343:613.0 344:347.0 345:2653.0 346:879.0 347:640.0 348:245.0 349:67.0 351:178.0 352:75.0 354:78.0 355:44.0 356:39.0 357:78.0 358:367.0 359:7197.0 360:2732.0 361:1246.0 362:338.0 363:114.0 365:25.0 366:98.0 367:193.0 368:110.0 370:46.0 375:39.0 378:108.0 379:689.0 380:436.0 381:115.0 382:91.0 384:67.0 389:335.0 390:277.0 391:173.0 392:194.0 393:732.0 394:692.0 395:415.0 396:167.0 397:115.0 398:24.0 399:64.0 403:61.0 404:106.0 405:873.0 406:875.0 407:860.0 408:384.0 409:233.0 410:52.0 411:83.0 412:39.0 413:39.0 415:42.0 417:42.0 419:109.0 421:206.0 422:364.0 423:2672.0 424:1437.0 425:733.0 426:231.0 432:442.0 433:4846.0 434:2906.0 435:3989.0 436:1877.0 437:861.0 438:314.0 439:130.0 441:28.0 442:33.0 443:20.0 447:126.0 448:176.0 449:183.0 450:81.0 451:44.0 452:68.0 457:45.0 458:35.0 459:46.0 462:39.0 463:34.0 465:38.0 466:39.0 467:102.0 468:43.0 469:76.0 471:26.0 473:60.0 474:50.0 478:39.0 481:30.0 482:49.0 483:20.0 484:33.0 485:44.0 486:31.0 491:37.0 493:103.0 494:135.0 495:114.0 496:71.0 497:41.0 498:44.0
inulotriose	1131821	361	22833608	C01355	14686	85:202.0 86:12.0 87:146.0 88:80.0 89:386.0 90:24.0 91:42.0 92:8.0 93:9.0 94:17.0 95:51.0 96:71.0 97:207.0 98:32.0 99:143.0 100:33.0 101:514.0 102:178.0 103:6796.0 104:594.0 105:250.0 108:1.0 109:400.0 110:25.0 111:112.0 112:21.0 113:215.0 114:47.0 115:200.0 116:230.0 117:1582.0 118:135.0 119:143.0 120:21.0 121:20.0 122:9.0 123:22.0 124:17.0 125:80.0 126:58.0 127:217.0 128:57.0 129:4450.0 130:610.0 131:768.0 132:81.0 133:997.0 134:100.0 135:128.0 136:18.0 137:10.0 138:1.0 139:123.0 140:51.0 141:176.0 142:269.0 143:806.0 144:109.0 145:198.0 146:27.0 147:5086.0 148:780.0 149:710.0 150:84.0 151:81.0 152:27.0 153:183.0 154:71.0 155:663.0 156:121.0 157:929.0 158:124.0 159:112.0 160:17.0 161:69.0 162:27.0 163:155.0 164:39.0 165:26.0 166:9.0 167:101.0 168:6.0 169:4108.0 170:612.0 171:371.0 172:48.0 173:140.0 174:23.0 175:109.0 176:47.0 177:137.0 178:16.0 179:19.0 180:6.0 181:59.0 182:38.0 183:250.0 184:49.0 185:83.0 186:36.0 187:62.0 188:29.0 189:850.0 190:200.0 191:1945.0 192:338.0 193:188.0 194:54.0 195:26.0 196:16.0 197:45.0 198:28.0 199:198.0 200:31.0 201:81.0 202:36.0 203:266.0 204:6711.0 205:1609.0 206:537.0 207:260.0 208:62.0 209:63.0 210:11.0 211:34.0 212:9.0 213:11.0 214:19.0 215:201.0 216:39.0 217:5531.0 218:1314.0 219:581.0 220:111.0 221:222.0 222:58.0 223:40.0 224:22.0 225:16.0 226:8.0 227:50.0 228:13.0 229:273.0 230:366.0 231:469.0 232:140.0 233:128.0 234:62.0 235:27.0 236:34.0 237:15.0 238:13.0 239:18.0 240:5.0 241:74.0 242:49.0 243:1345.0 244:349.0 245:347.0 246:96.0 247:113.0 248:39.0 249:15.0 250:20.0 251:34.0 252:11.0 254:7.0 255:46.0 256:23.0 257:434.0 258:128.0 259:224.0 260:74.0 261:40.0 262:23.0 263:32.0 264:11.0 265:27.0 266:28.0 267:15.0 268:5.0 269:26.0 270:24.0 271:1792.0 272:433.0 273:277.0 274:61.0 275:39.0 276:34.0 277:59.0 278:36.0 279:38.0 280:5.0 281:35.0 282:3.0 284:4.0 285:19.0 286:11.0 287:17.0 288:24.0 289:88.0 290:47.0 291:122.0 292:46.0 293:48.0 294:7.0 295:8.0 296:4.0 298:7.0 300:4.0 301:4.0 302:2.0 303:44.0 304:50.0 305:191.0 306:115.0 307:35.0 308:22.0 309:24.0 310:7.0 311:11.0 312:11.0 313:1.0 314:2.0 315:8.0 316:11.0 317:85.0 318:51.0 319:343.0 320:149.0 321:69.0 322:46.0 323:6.0 324:20.0 325:6.0 326:18.0 327:6.0 328:2.0 329:9.0 330:14.0 331:214.0 332:144.0 333:71.0 334:20.0 335:33.0 337:15.0 338:7.0 339:2.0 340:22.0 341:16.0 342:5.0 343:11.0 345:92.0 346:39.0 347:53.0 348:41.0 349:25.0 350:4.0 351:14.0 352:6.0 353:4.0 354:1.0 355:6.0 356:7.0 357:4.0 358:12.0 359:29.0 360:458.0 361:8124.0 362:3264.0 363:1525.0 364:390.0 365:99.0 366:26.0 367:11.0 368:28.0 369:4.0 370:3.0 371:10.0 372:15.0 373:26.0 374:16.0 375:19.0 377:30.0 378:10.0 379:16.0 380:17.0 381:1.0 382:13.0 383:15.0 384:11.0 385:13.0 386:3.0 387:13.0 388:18.0 389:4.0 390:3.0 391:5.0 392:3.0 393:13.0 394:11.0 395:6.0 396:8.0 397:8.0 398:8.0 399:10.0 400:1.0 401:28.0 402:15.0 403:18.0 404:7.0 405:11.0 406:2.0 407:26.0 408:3.0 409:2.0 410:7.0 411:7.0 412:2.0 413:11.0 416:15.0 417:14.0 418:4.0 419:14.0 420:16.0 421:15.0 422:8.0 423:13.0 424:7.0 425:19.0 427:13.0 428:3.0 429:8.0 430:5.0 431:2.0 432:6.0 434:7.0 435:30.0 436:95.0 437:491.0 438:295.0 439:135.0 440:43.0 441:10.0 442:1.0 444:1.0 445:3.0 446:7.0 448:1.0 449:11.0 450:131.0 451:532.0 452:313.0 453:151.0 454:70.0 455:28.0 456:7.0 458:8.0 459:8.0 460:5.0 461:2.0 462:13.0 463:13.0 464:2.0 465:7.0 466:8.0 467:15.0 470:13.0 471:18.0 472:3.0 473:6.0 474:14.0 477:12.0 478:8.0 479:13.0 480:8.0 481:5.0 482:1.0 483:8.0 484:2.0 485:1.0 487:6.0 488:13.0 490:12.0 491:11.0 492:10.0 493:17.0 494:8.0 495:11.0 496:2.0 497:4.0 498:19.0 499:5.0 500:4.0
inositol-4-monophosphate	846510	315	440043	C03546	45351	85:1.0 86:238.0 87:154.0 88:1.0 99:434.0 101:763.0 103:1909.0 104:364.0 107:288.0 109:401.0 111:550.0 113:450.0 119:195.0 125:220.0 127:391.0 129:3705.0 130:1560.0 131:1864.0 132:3.0 133:4462.0 134:304.0 135:447.0 137:223.0 138:1.0 139:209.0 141:161.0 142:575.0 143:2116.0 144:28.0 147:20267.0 148:1900.0 149:2880.0 150:263.0 151:313.0 152:31.0 153:199.0 154:147.0 155:384.0 156:200.0 157:357.0 158:89.0 161:144.0 163:140.0 164:44.0 165:73.0 167:43.0 169:372.0 170:143.0 171:198.0 175:176.0 177:25.0 181:339.0 183:429.0 184:164.0 185:119.0 189:563.0 190:547.0 191:4872.0 192:884.0 193:1272.0 194:93.0 195:313.0 196:18.0 197:207.0 199:17.0 201:120.0 203:257.0 204:1495.0 205:464.0 206:277.0 208:444.0 209:306.0 210:2.0 211:1641.0 212:125.0 213:86.0 214:14.0 215:266.0 216:86.0 217:4387.0 218:1088.0 219:90.0 220:189.0 221:1149.0 222:219.0 223:155.0 224:10.0 225:924.0 226:106.0 227:363.0 228:208.0 229:104.0 230:634.0 231:279.0 232:74.0 239:59.0 241:96.0 242:62.0 243:274.0 244:228.0 245:399.0 246:1178.0 247:234.0 248:181.0 251:82.0 252:4.0 253:82.0 254:31.0 255:1018.0 256:210.0 257:267.0 261:31.0 265:474.0 267:57.0 269:333.0 270:268.0 271:99.0 272:15.0 278:33.0 283:179.0 284:97.0 285:523.0 286:41.0 287:15.0 291:337.0 292:89.0 293:123.0 294:15.0 297:87.0 298:317.0 299:8172.0 300:2192.0 301:1314.0 302:306.0 303:131.0 304:215.0 305:992.0 306:300.0 307:75.0 308:118.0 309:86.0 313:129.0 314:265.0 315:8207.0 316:2311.0 317:1264.0 318:10198.0 319:3597.0 320:1289.0 321:405.0 322:26.0 323:29.0 324:29.0 328:148.0 331:104.0 332:316.0 333:57.0 334:17.0 341:162.0 342:187.0 343:856.0 344:89.0 345:267.0 346:89.0 347:85.0 353:6.0 357:36.0 360:81.0 367:44.0 369:141.0 370:23.0 371:55.0 372:54.0 373:264.0 374:197.0 375:178.0 385:40.0 386:284.0 387:2990.0 388:1108.0 389:1582.0 390:581.0 391:162.0 393:11.0 417:6.0 418:130.0 419:244.0 420:76.0 429:163.0 430:15.0 431:51.0 432:250.0 433:323.0 434:122.0 435:99.0 442:53.0 443:43.0 447:4.0 455:73.0 457:210.0 458:47.0 461:113.0 469:4.0 470:258.0 471:61.0 472:81.0 476:62.0 489:21.0 494:45.0 495:2.0
inosine 5'-monophosphate	1016811	169	8582	C00130	31242	87:68.0 89:59.0 91:75.0 95:92.0 96:48.0 98:85.0 99:128.0 100:42.0 101:160.0 105:72.0 106:69.0 108:39.0 109:62.0 110:57.0 111:37.0 113:198.0 115:118.0 116:126.0 117:138.0 121:72.0 122:58.0 123:62.0 125:63.0 127:100.0 129:478.0 130:162.0 133:331.0 135:74.0 138:59.0 139:70.0 140:139.0 141:61.0 143:101.0 147:894.0 148:205.0 149:147.0 151:79.0 153:75.0 158:33.0 166:56.0 167:38.0 168:26.0 169:2863.0 170:314.0 171:237.0 176:30.0 177:51.0 179:65.0 183:47.0 184:66.0 186:33.0 193:526.0 194:115.0 195:71.0 197:27.0 204:39.0 207:468.0 208:99.0 209:407.0 210:67.0 211:522.0 212:64.0 215:88.0 217:136.0 218:38.0 219:68.0 221:65.0 225:77.0 227:59.0 229:56.0 230:749.0 231:180.0 232:91.0 240:42.0 241:76.0 243:422.0 244:106.0 252:23.0 253:87.0 258:318.0 260:43.0 263:61.0 264:31.0 265:85.0 266:67.0 277:43.0 279:40.0 280:48.0 281:280.0 283:35.0 284:28.0 285:31.0 287:29.0 289:41.0 290:15.0 293:69.0 299:593.0 300:118.0 301:129.0 302:31.0 303:34.0 305:17.0 307:70.0 308:47.0 315:1289.0 316:358.0 317:185.0 318:22.0 320:40.0 321:42.0 323:63.0 328:78.0 329:47.0 331:26.0 332:24.0 333:35.0 335:48.0 336:16.0 338:45.0 340:54.0 341:40.0 342:69.0 343:36.0 344:29.0 345:13.0 356:71.0 357:48.0 362:45.0 369:35.0 370:53.0 371:45.0 375:33.0 377:23.0 378:55.0 384:44.0 386:17.0 390:47.0 396:35.0 399:38.0 400:29.0 412:60.0 414:19.0 419:42.0 429:50.0 431:16.0 435:14.0 444:38.0 449:21.0 480:27.0 481:31.0 493:26.0 495:42.0
inosine	897184	230	6021	C00294	1728	85:163.0 86:64.0 97:4.0 99:41.0 101:305.0 103:1289.0 106:14.0 111:59.0 113:48.0 115:238.0 116:92.0 117:269.0 129:3413.0 130:316.0 131:520.0 134:189.0 142:6.0 143:110.0 144:7.0 145:89.0 147:473.0 153:24.0 157:39.0 163:23.0 166:12.0 169:201.0 171:4.0 174:37.0 189:2.0 193:773.0 194:49.0 195:1.0 201:420.0 202:29.0 203:3.0 204:4.0 207:213.0 209:266.0 215:14.0 216:5.0 217:1674.0 218:322.0 219:156.0 230:1148.0 231:201.0 232:66.0 237:443.0 238:38.0 243:386.0 244:46.0 245:926.0 246:111.0 247:45.0 249:5.0 257:44.0 258:89.0 259:388.0 260:88.0 265:82.0 267:41.0 280:118.0 281:542.0 282:67.0 283:36.0 299:68.0 307:66.0 309:6.0 319:11.0 323:53.0 338:6.0 348:10.0 353:7.0 386:20.0 395:3.0 409:5.0 434:14.0 448:17.0 451:12.0 462:9.0 485:10.0 498:5.0
hypoxanthine	619128	265	790	C00262	1663	85:17650.0 86:12163.0 87:3151.0 88:967.0 89:1497.0 90:1362.0 91:1011.0 92:2327.0 93:2705.0 94:2109.0 95:8249.0 96:4731.0 97:4274.0 98:10523.0 99:10631.0 100:18705.0 101:4328.0 102:2856.0 103:1825.0 104:825.0 105:732.0 106:877.0 107:1246.0 108:1010.0 109:1929.0 110:7804.0 111:16720.0 112:8157.0 113:3184.0 114:2386.0 115:2768.0 116:1782.0 117:3672.0 118:1096.0 119:3047.0 120:887.0 121:1152.0 122:1601.0 123:7675.0 124:5924.0 125:27347.0 126:4669.0 127:1631.0 128:4687.0 129:757.0 130:3064.0 131:18005.0 132:5577.0 133:6437.0 134:1529.0 135:1034.0 136:2233.0 137:1880.0 138:8120.0 139:6776.0 140:1825.0 141:1929.0 142:12534.0 143:3438.0 144:1712.0 145:493.0 146:711.0 147:19727.0 148:4999.0 149:2359.0 150:4433.0 151:2592.0 152:7155.0 153:4871.0 154:2331.0 155:1643.0 156:2287.0 157:2149.0 158:22398.0 159:5210.0 160:2267.0 161:502.0 162:394.0 163:1842.0 164:1604.0 165:5114.0 166:21893.0 167:4343.0 168:2152.0 169:1875.0 170:2814.0 171:2433.0 172:25772.0 173:12314.0 174:8155.0 175:2628.0 176:1019.0 177:4304.0 178:1275.0 179:2286.0 180:8006.0 181:23910.0 182:4922.0 183:2543.0 184:916.0 185:769.0 186:465.0 187:209.0 188:189.0 189:326.0 190:187.0 191:7629.0 192:5425.0 193:30133.0 194:5220.0 195:2554.0 196:864.0 197:3961.0 198:1176.0 199:496.0 200:988.0 201:248.0 202:221.0 204:217.0 205:1352.0 206:35628.0 207:20005.0 208:10550.0 209:2627.0 210:1084.0 211:5263.0 212:1486.0 213:820.0 214:538.0 215:156.0 216:489.0 217:174.0 218:225.0 219:297.0 220:262.0 221:828.0 222:4925.0 223:4441.0 224:3263.0 225:1129.0 226:661.0 227:351.0 228:97.0 229:195.0 230:147.0 231:207.0 232:151.0 233:193.0 234:205.0 235:2975.0 236:1563.0 237:1821.0 238:11769.0 239:5264.0 240:1756.0 241:760.0 242:212.0 243:89.0 244:140.0 247:92.0 248:185.0 249:7113.0 250:2098.0 251:1656.0 252:1217.0 253:658.0 254:322.0 255:148.0 256:80.0 257:318.0 258:415.0 259:325.0 260:58.0 261:87.0 262:19.0 263:758.0 264:1686.0 265:252895.0 266:61751.0 267:24493.0 268:4214.0 269:475.0 270:207.0 271:223.0 272:227.0 273:16.0 274:264.0 275:322.0 276:174.0 277:136.0 278:39.0 279:8482.0 280:83394.0 281:21166.0 282:8018.0 283:1374.0 284:256.0 285:53.0 286:24.0 288:20.0 292:8.0 295:2.0 296:6.0 297:44.0 298:3.0 299:123.0 302:23.0 307:16.0 309:19.0 312:47.0 313:19.0 314:10.0 315:37.0 316:36.0 318:3.0 323:6.0 326:15.0 330:75.0 331:14.0 332:11.0 334:6.0 335:10.0 337:1.0 338:11.0 341:13.0 349:23.0 350:3.0 353:2.0 357:26.0 358:20.0 361:14.0 365:12.0 366:8.0 370:30.0 374:5.0 376:44.0 377:17.0 379:9.0 396:3.0 399:1.0 406:24.0 410:1.0 417:1.0 420:111.0 421:43.0 422:7.0 428:1.0 434:1.0 436:10.0 438:6.0 440:1.0 442:12.0 447:6.0 448:10.0 451:7.0 453:4.0 457:16.0 462:11.0 466:2.0 468:29.0 486:17.0 488:2.0 492:4.0 497:1.0
hydroxylamine	255241	146	787	C00192	139	85:633.0 86:2313.0 87:825.0 88:529.0 91:101.0 92:48.0 96:39.0 99:99.0 100:1181.0 101:208.0 103:445.0 105:237.0 109:19.0 116:169.0 117:579.0 118:114.0 119:2103.0 120:482.0 121:248.0 124:18.0 126:27.0 129:42.0 131:1281.0 132:298.0 133:4524.0 135:417.0 136:79.0 142:20.0 144:27.0 145:78.0 146:4294.0 147:2233.0 148:673.0 149:132.0 161:231.0 172:17.0 187:19.0 188:77.0 190:14.0 204:105.0 205:68.0 238:22.0 240:12.0 250:163.0 251:91.0 252:19.0 253:25.0 270:16.0 321:15.0 346:16.0 355:58.0 478:14.0
hydroxycarbamate NIST	325318	278	16639161		130396	86:3909.0 89:5546.0 91:162.0 98:928.0 100:9202.0 103:3112.0 104:804.0 105:1118.0 109:43.0 115:2742.0 116:1447.0 117:1902.0 118:782.0 119:6979.0 120:481.0 121:178.0 123:62.0 131:6529.0 133:21267.0 134:4246.0 135:2007.0 144:446.0 145:185.0 147:31804.0 152:25.0 160:14456.0 161:3001.0 162:1040.0 163:900.0 169:62.0 188:1604.0 196:22.0 205:1022.0 206:398.0 207:1225.0 208:224.0 213:39.0 215:46.0 221:679.0 222:160.0 226:28.0 231:136.0 278:19428.0 279:4792.0 280:2239.0 281:436.0 282:130.0 293:227.0 294:22.0 379:35.0 496:35.0
histidine	663739	154	6274	C00135	6355	85:7094.0 86:1639.0 87:7991.0 88:4609.0 89:30905.0 90:3149.0 91:1902.0 92:234.0 93:454.0 94:653.0 95:1077.0 96:470.0 97:5959.0 98:1579.0 99:4516.0 100:4113.0 101:22182.0 102:4639.0 103:173841.0 104:18440.0 105:9083.0 106:915.0 107:452.0 108:270.0 109:579.0 110:700.0 111:3254.0 112:1304.0 113:5526.0 114:1030.0 115:5010.0 116:7143.0 117:101183.0 118:11323.0 119:8715.0 120:1052.0 121:713.0 122:103.0 123:178.0 124:307.0 125:966.0 126:1215.0 127:3044.0 128:455.0 129:69049.0 130:9531.0 131:25819.0 132:5153.0 133:50504.0 134:7323.0 135:5338.0 136:533.0 137:211.0 138:162.0 139:771.0 140:195.0 141:1830.0 142:1057.0 143:11253.0 144:1683.0 145:3116.0 146:922.0 147:246817.0 148:41383.0 149:26838.0 150:3336.0 151:1930.0 152:412.0 153:2345.0 154:39763.0 155:11462.0 156:4819.0 157:42688.0 158:6428.0 159:3996.0 160:322.0 161:1555.0 162:541.0 163:4619.0 164:881.0 165:626.0 166:1252.0 167:1169.0 168:362.0 169:2352.0 170:660.0 171:647.0 172:245.0 173:1073.0 174:144.0 175:4187.0 176:775.0 177:2222.0 178:443.0 179:386.0 180:189.0 181:215.0 182:822.0 183:4986.0 184:1094.0 185:742.0 186:245.0 187:402.0 188:224.0 189:23585.0 190:5826.0 191:18054.0 192:3419.0 193:2005.0 194:410.0 195:93.0 196:74.0 197:135.0 198:18.0 199:107.0 201:1068.0 202:504.0 203:3236.0 204:22687.0 205:84123.0 206:19491.0 207:10590.0 208:1902.0 209:727.0 210:252.0 211:236.0 213:95.0 214:6.0 215:1139.0 216:553.0 217:75704.0 218:21656.0 219:9301.0 220:1496.0 221:5422.0 222:1631.0 223:859.0 224:269.0 225:103.0 226:638.0 227:407.0 228:140.0 229:7984.0 230:3133.0 231:5212.0 232:1278.0 233:677.0 234:91.0 235:296.0 236:142.0 237:215.0 238:1749.0 239:1062.0 240:219.0 241:134.0 243:888.0 244:288.0 245:271.0 246:132.0 247:1152.0 248:353.0 249:383.0 250:64.0 251:190.0 252:105.0 253:43.0 254:6401.0 255:3438.0 256:1116.0 257:1414.0 258:406.0 259:1253.0 260:298.0 261:42.0 262:120.0 263:169.0 264:48.0 265:531.0 266:388.0 267:92.0 268:90.0 270:98.0 271:2.0 273:337.0 274:130.0 275:25.0 276:118.0 277:1805.0 278:1428.0 279:651.0 280:49.0 281:5.0 286:36.0 288:96.0 289:162.0 290:27.0 291:4097.0 292:1245.0 293:705.0 294:113.0 299:132.0 303:76.0 304:33.0 305:3450.0 306:1847.0 307:9896.0 308:2714.0 309:1750.0 310:241.0 311:9.0 313:95.0 314:27.0 319:56703.0 320:17180.0 321:8549.0 322:1721.0 323:564.0 324:49.0 328:98.0 329:371.0 331:1577.0 332:530.0 333:363.0 334:11.0 335:38.0 337:45.0 338:51.0 339:61.0 340:6.0 345:118.0 346:307.0 347:1.0 348:12.0 349:29.0 350:33.0 356:598.0 357:205.0 358:79.0 370:12.0 371:172.0 372:46.0 375:1.0 383:15.0 384:12.0 385:28.0 387:5.0 391:46.0 398:10.0 408:23.0 409:107.0 414:7.0 416:5.0 427:1.0 428:1.0 430:10.0 432:11.0 434:41.0 439:6.0 440:6.0 450:13.0 453:2.0 457:1.0 465:5.0 469:16.0 470:13.0 475:3.0 476:2.0 477:7.0 479:15.0 480:9.0 481:15.0 483:9.0 485:8.0 486:6.0 488:6.0 492:8.0 496:4.0
hexuronic acid	667373	160	152867		4554	85:209.0 86:138.0 88:682.0 89:1276.0 90:42.0 91:290.0 92:40.0 93:62.0 95:157.0 97:343.0 98:187.0 99:94.0 100:117.0 101:506.0 102:533.0 103:960.0 104:6.0 105:780.0 107:90.0 108:8.0 109:195.0 110:46.0 111:190.0 112:6.0 113:192.0 114:283.0 115:385.0 117:357.0 118:42.0 119:105.0 127:38.0 128:156.0 129:885.0 130:376.0 131:441.0 132:5.0 133:1378.0 134:249.0 135:228.0 137:19.0 141:7.0 142:42.0 143:2086.0 144:371.0 145:116.0 146:7.0 147:5275.0 148:672.0 149:566.0 150:34.0 151:11.0 152:4.0 156:37.0 157:165.0 158:103.0 159:1.0 160:6047.0 161:799.0 162:164.0 163:178.0 164:21.0 165:16.0 170:49.0 171:818.0 172:29.0 173:53.0 174:62.0 175:244.0 176:19.0 177:121.0 178:14.0 185:80.0 186:9.0 187:14.0 188:7.0 189:1288.0 190:272.0 191:437.0 192:85.0 193:22.0 200:24.0 201:31.0 202:5.0 203:30.0 204:548.0 205:494.0 206:89.0 207:146.0 212:2.0 213:72.0 214:51.0 215:52.0 216:192.0 217:1086.0 218:162.0 219:505.0 220:183.0 221:270.0 222:60.0 227:261.0 228:29.0 229:32.0 230:24.0 231:209.0 232:76.0 233:18.0 234:6.0 235:1.0 240:4.0 244:5.0 245:82.0 246:33.0 252:1.0 256:13.0 258:1.0 260:11.0 262:5.0 263:1.0 268:2.0 270:5.0 274:180.0 275:21.0 276:1.0 277:124.0 278:12.0 281:1.0 288:1.0 291:107.0 292:150.0 293:33.0 301:1.0 305:406.0 306:82.0 307:86.0 314:160.0 316:2.0 317:5.0 318:24.0 319:177.0 320:36.0 321:2.0 329:2.0 332:43.0 333:4010.0 334:1346.0 335:647.0 336:134.0 337:21.0 364:238.0 365:65.0 366:17.0 372:1.0 388:28.0 389:7.0 391:1.0 393:1.0 396:5.0 416:1.0 418:2.0 419:4.0 423:123.0 424:18.0 436:2.0 484:1.0
hexose-6-phosphate	806282	387	208	C02965	18607	89:205.0 90:34.0 100:62.0 101:173.0 103:155.0 105:83.0 113:36.0 114:63.0 116:51.0 117:51.0 129:326.0 130:58.0 131:112.0 133:153.0 135:38.0 143:37.0 145:25.0 147:476.0 148:80.0 157:90.0 160:244.0 161:48.0 169:18.0 189:27.0 191:42.0 205:21.0 211:118.0 216:24.0 217:145.0 218:44.0 219:21.0 225:30.0 227:17.0 231:19.0 247:31.0 248:13.0 285:42.0 298:19.0 299:223.0 300:63.0 301:70.0 302:32.0 305:24.0 307:13.0 315:124.0 316:28.0 329:15.0 331:29.0 332:21.0 338:19.0 341:32.0 343:35.0 351:14.0 357:130.0 358:66.0 359:34.0 370:14.0 373:27.0 375:27.0 381:18.0 384:17.0 385:17.0 386:77.0 387:346.0 388:198.0 389:93.0 390:25.0 405:22.0 406:18.0 414:14.0 415:17.0 427:18.0 446:20.0 447:17.0 451:14.0 467:16.0 469:14.0 470:25.0 471:36.0 472:30.0 473:34.0 492:19.0 495:13.0
hexitol	704741	217	453	C00392	255	85:79.0 88:37.0 92:32.0 94:14.0 97:41.0 99:235.0 100:26.0 101:41.0 102:73.0 103:1566.0 104:206.0 105:96.0 109:97.0 110:36.0 111:111.0 112:66.0 113:39.0 114:55.0 115:112.0 116:320.0 117:397.0 118:41.0 119:91.0 127:84.0 129:2437.0 130:240.0 131:990.0 132:120.0 133:2109.0 135:188.0 136:36.0 138:15.0 141:58.0 142:51.0 143:712.0 144:95.0 146:64.0 147:9643.0 148:1032.0 149:1104.0 150:133.0 151:66.0 153:37.0 154:15.0 155:45.0 156:56.0 157:114.0 158:38.0 159:64.0 162:22.0 163:54.0 165:18.0 169:33.0 171:28.0 172:20.0 173:32.0 175:121.0 176:49.0 177:65.0 178:54.0 180:19.0 181:27.0 182:35.0 183:24.0 185:56.0 186:24.0 187:39.0 188:28.0 189:431.0 190:280.0 191:2851.0 192:494.0 193:203.0 194:46.0 195:24.0 196:20.0 199:31.0 202:25.0 203:33.0 204:2084.0 205:484.0 206:209.0 207:184.0 208:54.0 209:29.0 210:49.0 213:49.0 214:30.0 216:52.0 217:4285.0 218:777.0 219:295.0 222:73.0 223:57.0 225:24.0 228:21.0 229:8.0 230:158.0 233:26.0 235:39.0 237:36.0 243:68.0 245:37.0 246:36.0 247:35.0 248:31.0 249:20.0 250:15.0 253:24.0 255:58.0 257:49.0 258:44.0 259:29.0 262:31.0 264:36.0 265:224.0 266:50.0 267:60.0 268:28.0 269:38.0 271:33.0 278:32.0 279:39.0 280:25.0 281:34.0 282:14.0 283:18.0 285:17.0 287:71.0 289:31.0 290:18.0 291:203.0 292:92.0 293:144.0 294:16.0 297:26.0 302:38.0 304:74.0 305:2094.0 306:618.0 307:304.0 314:18.0 317:125.0 318:2595.0 319:905.0 320:416.0 321:110.0 323:29.0 324:22.0 336:25.0 338:25.0 344:38.0 353:16.0 357:21.0 360:29.0 361:29.0 362:27.0 365:15.0 367:52.0 368:39.0 373:25.0 379:31.0 381:27.0 385:15.0 386:24.0 388:23.0 393:128.0 394:66.0 400:21.0 407:31.0 414:47.0 418:36.0 419:13.0 421:18.0 426:34.0 433:58.0 437:23.0 438:24.0 439:24.0 440:21.0 442:30.0 444:25.0 448:31.0 449:48.0 451:28.0 452:18.0 456:19.0 458:26.0 459:31.0 477:24.0 478:17.0 484:34.0 487:27.0 489:20.0 491:18.0 492:17.0 495:28.0 499:13.0
hexadecylglycerol NIST	867593	205	72733	C13859	100721	85:8744.0 86:578.0 87:1216.0 88:1214.0 89:4931.0 90:533.0 91:781.0 92:44.0 93:250.0 94:167.0 95:1193.0 96:711.0 97:3878.0 98:905.0 99:2281.0 100:306.0 101:7992.0 102:907.0 103:12467.0 104:903.0 105:1844.0 106:137.0 107:212.0 108:203.0 109:527.0 110:203.0 111:1123.0 112:450.0 113:823.0 115:2952.0 116:5985.0 117:34930.0 118:3298.0 119:2669.0 120:178.0 121:191.0 122:110.0 123:209.0 124:134.0 125:609.0 126:225.0 127:198.0 129:6387.0 130:12702.0 131:12726.0 132:2986.0 133:19640.0 134:2196.0 135:1231.0 136:122.0 137:62.0 138:70.0 139:194.0 140:115.0 141:94.0 142:57.0 143:232.0 144:97.0 145:975.0 146:227.0 147:28651.0 148:4580.0 149:3947.0 150:468.0 151:229.0 152:29.0 153:43.0 154:40.0 155:156.0 156:34.0 157:66.0 158:78.0 159:246.0 160:97.0 161:162.0 163:293.0 165:65.0 166:53.0 168:24.0 169:131.0 172:23.0 173:62.0 174:112.0 175:1798.0 176:379.0 177:1400.0 178:172.0 179:87.0 181:89.0 184:45.0 185:62.0 186:42.0 187:18.0 188:59.0 189:583.0 190:94.0 191:195.0 192:52.0 193:73.0 195:47.0 199:37.0 203:129.0 204:2333.0 205:27199.0 206:5194.0 207:2057.0 208:208.0 209:70.0 210:15.0 212:16.0 216:20.0 218:93.0 219:79.0 220:56.0 221:170.0 222:110.0 223:102.0 227:19.0 234:38.0 239:52.0 240:26.0 241:40.0 243:16.0 245:14.0 251:47.0 252:19.0 253:154.0 254:52.0 260:32.0 262:51.0 263:58.0 271:15.0 272:26.0 280:149.0 281:73.0 282:36.0 287:13.0 290:22.0 296:28.0 297:25.0 299:106.0 307:14.0 312:66.0 313:707.0 314:294.0 315:112.0 326:24.0 329:15.0 330:14.0 333:19.0 342:18.0 344:25.0 352:14.0 354:17.0 355:126.0 356:178.0 357:164.0 358:31.0 359:37.0 362:25.0 364:97.0 370:144.0 371:116.0 372:36.0 374:23.0 375:22.0 376:19.0 388:21.0 390:16.0 395:22.0 402:23.0 426:19.0 444:30.0 445:127.0 446:66.0 447:56.0
hexadecane	525964	85	11006		120765	85:9049.0 86:474.0 96:64.0 97:771.0 98:732.0 99:2204.0 100:118.0 105:50.0 111:163.0 112:300.0 113:862.0 114:67.0 115:47.0 122:34.0 126:283.0 127:368.0 140:260.0 141:206.0 149:531.0 150:50.0 155:194.0 168:80.0 169:148.0 177:80.0 182:65.0 183:56.0 188:25.0 195:20.0 219:23.0 226:170.0 256:19.0 258:32.0 264:22.0 282:30.0 283:22.0 284:21.0 349:17.0 360:37.0 372:29.0 376:40.0 396:38.0 424:41.0 448:15.0 472:30.0 491:33.0 495:31.0
heptadecanoic acid	751309	117	10465		727	86:84.0 89:126.0 93:146.0 95:297.0 97:364.0 98:171.0 99:152.0 101:71.0 105:120.0 107:47.0 109:65.0 111:142.0 112:68.0 113:69.0 116:319.0 117:6884.0 118:515.0 119:190.0 123:26.0 125:38.0 129:2928.0 130:357.0 131:779.0 132:2003.0 133:510.0 134:126.0 141:18.0 143:248.0 145:1080.0 146:130.0 149:39.0 152:19.0 153:14.0 159:91.0 163:18.0 171:63.0 174:86.0 177:28.0 182:19.0 187:82.0 189:15.0 197:18.0 201:212.0 202:62.0 213:28.0 215:30.0 227:23.0 241:13.0 242:13.0 243:71.0 257:25.0 283:45.0 284:36.0 285:41.0 288:28.0 297:17.0 300:19.0 301:23.0 302:33.0 308:19.0 314:23.0 315:28.0 316:27.0 317:23.0 320:12.0 326:58.0 327:578.0 328:196.0 329:37.0 330:26.0 332:12.0 333:13.0 334:18.0 338:25.0 342:81.0 345:34.0 349:14.0 350:20.0 353:12.0 354:22.0 357:18.0 362:14.0 368:31.0 386:16.0 391:13.0 407:14.0 441:17.0 450:14.0 452:17.0 453:22.0 454:29.0 457:18.0 460:24.0 465:21.0 469:16.0 471:13.0 473:24.0 474:19.0 477:22.0 478:24.0 479:26.0 483:21.0 486:27.0 488:15.0 490:22.0 494:18.0 495:24.0 497:23.0 499:17.0 500:16.0
guanosine	954962	324	6802	C00387	1966	85:1543.0 86:695.0 87:960.0 88:305.0 89:2775.0 90:249.0 91:343.0 93:203.0 94:284.0 95:499.0 96:239.0 97:2078.0 98:737.0 99:4070.0 100:2326.0 101:4073.0 102:1037.0 103:34450.0 104:3406.0 105:1568.0 106:62.0 107:214.0 109:142.0 110:455.0 111:1465.0 112:454.0 113:1897.0 114:483.0 115:8354.0 116:2447.0 117:6988.0 118:924.0 119:1155.0 120:232.0 121:117.0 122:147.0 123:259.0 124:207.0 125:458.0 126:538.0 127:917.0 128:347.0 129:8734.0 130:1540.0 131:5420.0 132:1425.0 133:6822.0 134:1511.0 135:1021.0 136:292.0 137:132.0 138:600.0 139:302.0 140:531.0 141:1713.0 142:1027.0 143:3986.0 144:981.0 145:1559.0 146:2839.0 147:27792.0 148:4607.0 149:3282.0 150:543.0 151:415.0 152:307.0 153:1353.0 154:308.0 155:706.0 156:2088.0 157:3224.0 158:2370.0 159:678.0 160:408.0 161:224.0 162:222.0 163:409.0 164:248.0 165:886.0 166:3125.0 167:575.0 168:444.0 169:7379.0 170:1166.0 171:3233.0 172:586.0 173:871.0 174:546.0 175:362.0 176:163.0 177:359.0 178:193.0 179:571.0 180:716.0 181:329.0 182:440.0 183:244.0 184:236.0 185:98.0 186:101.0 187:305.0 188:221.0 189:1982.0 190:1372.0 191:1608.0 192:622.0 193:690.0 194:431.0 195:354.0 196:284.0 197:211.0 198:374.0 199:110.0 201:253.0 202:87.0 203:387.0 204:1826.0 205:986.0 206:945.0 207:1068.0 208:1030.0 209:430.0 210:407.0 211:136.0 212:78.0 213:59.0 214:21.0 215:525.0 216:169.0 217:10591.0 218:2542.0 219:1259.0 220:489.0 221:723.0 222:590.0 223:337.0 224:301.0 225:64.0 226:49.0 227:37.0 229:697.0 230:11215.0 231:3428.0 232:1503.0 233:315.0 234:380.0 235:110.0 236:239.0 237:303.0 238:841.0 239:312.0 240:159.0 241:64.0 242:24.0 243:8321.0 244:2037.0 245:25735.0 246:5652.0 247:2341.0 248:587.0 249:142.0 250:260.0 251:664.0 252:232.0 253:273.0 254:70.0 255:8.0 257:418.0 258:440.0 259:3621.0 260:888.0 261:351.0 262:262.0 263:172.0 264:3343.0 265:841.0 266:504.0 267:197.0 268:55.0 271:152.0 272:26.0 273:28.0 274:59.0 275:26.0 276:134.0 277:167.0 278:965.0 279:784.0 280:16955.0 281:4530.0 282:1983.0 283:512.0 284:24.0 285:11.0 286:24.0 287:5.0 288:79.0 290:77.0 291:115.0 292:272.0 293:296.0 294:2118.0 295:4048.0 296:5363.0 297:1547.0 298:410.0 299:331.0 300:40.0 301:59.0 302:58.0 304:91.0 305:103.0 306:271.0 307:61.0 308:924.0 309:397.0 310:93.0 311:34.0 313:66.0 314:43.0 316:60.0 317:37.0 318:106.0 319:241.0 320:467.0 321:212.0 322:254.0 323:388.0 324:26146.0 325:7164.0 326:2744.0 327:594.0 328:158.0 329:17.0 330:26.0 331:85.0 332:68.0 333:126.0 334:50.0 335:46.0 336:207.0 337:85.0 338:114.0 339:26.0 340:20.0 341:119.0 342:70.0 344:24.0 345:32.0 346:14.0 347:28.0 348:694.0 349:228.0 350:187.0 351:97.0 352:1658.0 353:655.0 354:394.0 355:227.0 356:19.0 357:23.0 358:32.0 359:13.0 360:60.0 361:766.0 362:290.0 363:78.0 364:55.0 365:10.0 366:370.0 367:580.0 368:5554.0 369:2081.0 370:949.0 371:149.0 372:46.0 374:17.0 375:25.0 376:16.0 378:54.0 379:7.0 380:59.0 381:9.0 382:36.0 383:90.0 384:12.0 385:11.0 391:56.0 392:63.0 393:68.0 394:1375.0 395:505.0 396:369.0 397:77.0 401:83.0 404:26.0 406:34.0 407:8.0 408:140.0 409:289.0 410:2972.0 411:1154.0 412:488.0 413:73.0 414:8.0 415:113.0 422:502.0 423:234.0 424:151.0 425:540.0 426:224.0 427:53.0 429:17.0 431:28.0 434:38.0 435:16.0 436:22.0 437:15.0 438:19.0 440:5.0 446:31.0 448:84.0 450:33.0 451:15.0 455:10.0 463:43.0 464:86.0 465:64.0 468:21.0 469:2.0 475:55.0 476:12.0 480:21.0 482:144.0 483:82.0 484:38.0 485:6.0 488:23.0 490:28.0 495:9.0 496:10.0 497:6.0
glycyl tyrosine	922071	174	92829		62472	86:1091.0 95:27.0 100:203.0 114:27.0 118:36.0 130:89.0 146:117.0 158:36.0 160:9.0 161:13.0 164:41.0 172:46.0 173:8.0 174:4074.0 175:790.0 176:566.0 177:154.0 178:80.0 179:390.0 180:59.0 187:56.0 201:14.0 213:11.0 214:2.0 215:4.0 220:8.0 229:36.0 232:2.0 233:8.0 234:5.0 250:22.0 256:4.0 262:13.0 274:1.0 275:6.0 284:3.0 291:12.0 293:47.0 294:16.0 307:5.0 308:299.0 309:83.0 310:55.0 311:34.0 312:4.0 320:1.0 327:11.0 333:17.0 343:17.0 344:5.0 346:5.0 347:6.0 351:7.0 354:14.0 359:13.0 366:9.0 367:8.0 379:2.0 381:4.0 387:13.0 393:14.0 398:9.0 399:21.0 403:10.0 410:29.0 411:18.0 412:3.0 413:15.0 414:15.0 417:5.0 418:50.0 419:16.0 422:6.0 426:5.0 427:2.0 428:20.0 432:2.0 433:26.0 434:20.0 436:35.0 437:20.0 442:1.0 446:13.0 449:2.0 450:7.0 451:10.0 452:14.0 453:2.0 460:13.0 462:16.0 463:7.0 464:11.0 465:15.0 470:12.0 473:9.0 475:1.0 476:8.0 479:13.0 480:19.0 481:5.0 482:8.0 485:10.0 488:7.0 489:2.0 490:3.0 492:16.0 493:11.0 496:1.0 500:6.0
glycolic acid	227636	177	757	C00160	1971	86:321.0 87:877.0 88:2215.0 89:1177.0 90:166.0 92:46.0 95:690.0 98:47.0 99:43.0 100:1.0 101:491.0 102:395.0 103:3236.0 104:445.0 105:759.0 106:5.0 107:431.0 110:197.0 113:123.0 114:1.0 115:778.0 116:235.0 117:2708.0 118:351.0 119:694.0 120:123.0 121:18.0 124:3.0 131:2476.0 132:305.0 133:6921.0 134:1259.0 135:297.0 144:1.0 146:382.0 147:57199.0 148:9255.0 149:5731.0 150:464.0 151:221.0 161:3331.0 162:563.0 163:245.0 164:13.0 174:12.0 175:25.0 176:44.0 177:9136.0 178:1499.0 179:744.0 180:12.0 184:100.0 186:21.0 189:5.0 190:199.0 205:5249.0 206:917.0 207:412.0 223:9.0 228:19.0 251:6.0 274:3.0 276:1.0 283:39.0 294:4.0 301:1.0 315:15.0 316:4.0 323:2.0 327:18.0 341:6.0 363:8.0 368:9.0 374:4.0 377:48.0 384:16.0 387:25.0 411:32.0 422:1.0 432:11.0 435:46.0 443:1.0 444:22.0 445:1.0 452:40.0 458:13.0 471:1.0 472:19.0 479:4.0 481:29.0 488:23.0 492:29.0
glycocyamine	511016	171	763	C00581	34141	85:96.0 86:63.0 87:87.0 88:98.0 89:214.0 90:47.0 91:59.0 98:116.0 99:304.0 100:1350.0 101:81.0 102:142.0 103:293.0 108:32.0 110:406.0 111:68.0 113:244.0 114:142.0 115:2023.0 116:301.0 117:175.0 119:17.0 126:75.0 127:282.0 128:123.0 129:126.0 130:567.0 131:241.0 132:104.0 134:496.0 136:20.0 139:131.0 140:18.0 141:351.0 142:61.0 143:1019.0 144:221.0 146:39.0 147:284.0 148:157.0 149:3.0 152:7.0 155:81.0 157:145.0 158:192.0 159:60.0 170:36.0 171:5616.0 172:956.0 173:491.0 174:90.0 176:7.0 182:6.0 183:34.0 184:222.0 185:1121.0 186:839.0 187:168.0 188:50.0 198:681.0 199:226.0 200:89.0 201:22.0 205:12.0 216:7.0 226:77.0 227:1.0 229:60.0 241:70.0 242:4.0 243:33.0 245:29.0 254:13.0 256:72.0 258:10.0 259:56.0 273:26.0 275:13.0 284:6.0 286:290.0 287:76.0 288:39.0 291:8.0 300:7.0 302:30.0 314:346.0 315:75.0 316:56.0 329:1315.0 330:332.0 331:93.0 332:24.0 363:1.0 365:12.0 368:9.0 371:45.0 388:23.0 423:9.0 485:4.0 491:8.0 494:29.0
glycine	368707	248	750	C00037	6	85:2882.0 86:87494.0 87:10917.0 88:4018.0 89:822.0 92:65.0 93:42.0 94:27.0 95:426.0 96:50.0 97:67.0 99:1489.0 100:53029.0 101:10140.0 102:5892.0 103:928.0 105:1276.0 110:146.0 113:1787.0 114:44.0 115:2820.0 116:1864.0 117:12472.0 118:47.0 119:3422.0 122:40.0 123:85.0 125:63.0 129:156.0 130:9640.0 131:7466.0 132:862.0 133:31722.0 134:5661.0 135:2633.0 144:2949.0 145:349.0 146:1208.0 147:26782.0 148:8179.0 149:5445.0 158:2433.0 159:1298.0 160:2359.0 161:551.0 162:205.0 163:69.0 171:65.0 172:1683.0 174:152336.0 175:28023.0 176:12302.0 177:361.0 178:255.0 187:150.0 188:2043.0 190:449.0 191:115.0 200:60.0 202:783.0 203:236.0 204:837.0 205:85.0 218:58.0 246:286.0 248:21677.0 249:5746.0 250:2638.0 251:499.0 253:40.0 254:32.0 258:17.0 263:51.0 267:29.0 268:34.0 276:4493.0 277:408.0 278:257.0 288:36.0 292:28.0 299:12.0 304:15.0 305:20.0 318:38.0 322:24.0 326:35.0 334:37.0 341:26.0 344:23.0 345:20.0 346:12.0 356:14.0 381:30.0 417:22.0 433:16.0 440:27.0 454:22.0 458:43.0 459:16.0 461:27.0
glycerol-alpha-phosphate	590747	357	754	C03189	1687	85:750.0 87:846.0 88:468.0 89:1193.0 90:82.0 91:168.0 92:114.0 93:127.0 94:26.0 95:116.0 97:212.0 98:232.0 99:483.0 101:13348.0 102:1461.0 103:9463.0 104:991.0 105:689.0 106:35.0 107:239.0 108:36.0 109:51.0 111:385.0 113:2220.0 114:284.0 115:2195.0 116:2414.0 117:2066.0 118:407.0 119:755.0 120:59.0 121:349.0 122:90.0 123:101.0 125:30.0 127:73.0 129:6764.0 130:1365.0 131:6671.0 132:512.0 133:8224.0 134:1367.0 135:2622.0 136:210.0 137:734.0 138:89.0 139:7.0 141:48.0 143:79.0 145:207.0 147:13466.0 148:1827.0 149:1914.0 150:411.0 151:828.0 152:115.0 153:225.0 154:44.0 155:238.0 156:30.0 157:42.0 158:46.0 159:125.0 160:8.0 161:19.0 162:61.0 163:637.0 164:103.0 165:326.0 166:39.0 167:230.0 168:40.0 169:94.0 170:4.0 171:62.0 175:211.0 176:90.0 177:289.0 178:57.0 179:257.0 180:82.0 181:999.0 182:194.0 183:566.0 184:207.0 189:460.0 190:52.0 191:1442.0 192:315.0 193:1121.0 194:231.0 195:1137.0 196:145.0 197:518.0 199:126.0 201:3.0 202:123.0 203:1065.0 204:682.0 205:689.0 206:138.0 207:3057.0 208:603.0 209:466.0 210:145.0 211:6976.0 212:1053.0 213:701.0 216:20.0 217:432.0 218:1720.0 219:752.0 220:1206.0 221:317.0 222:39.0 224:46.0 225:1468.0 226:607.0 227:1441.0 228:299.0 229:116.0 230:11.0 231:42.0 236:43.0 237:70.0 239:44.0 240:27.0 241:1405.0 242:394.0 243:989.0 244:164.0 245:21.0 246:2.0 248:6.0 249:4.0 250:7.0 251:23.0 252:13.0 253:316.0 254:97.0 255:193.0 256:1782.0 257:228.0 258:143.0 260:22.0 263:17.0 269:309.0 270:47.0 271:11.0 272:490.0 273:59.0 274:22.0 275:22.0 276:4.0 279:1.0 280:12.0 283:423.0 284:131.0 285:1338.0 286:322.0 287:111.0 288:8.0 289:13.0 290:46.0 291:45.0 292:27.0 293:35.0 296:3.0 297:1.0 298:420.0 299:15339.0 300:4161.0 301:2204.0 302:411.0 303:61.0 304:32.0 306:6.0 307:52.0 308:24.0 311:16.0 312:16.0 313:189.0 314:697.0 315:3487.0 316:968.0 317:491.0 318:65.0 319:67.0 327:135.0 328:686.0 329:242.0 330:93.0 331:47.0 332:17.0 337:1.0 338:101.0 341:1109.0 342:424.0 343:246.0 344:53.0 345:24.0 346:36.0 347:11.0 349:43.0 350:21.0 352:26.0 353:9.0 354:1.0 355:12.0 356:210.0 357:9048.0 358:2684.0 359:1369.0 360:281.0 361:84.0 362:307.0 363:42.0 364:51.0 366:36.0 369:22.0 370:1340.0 371:371.0 372:242.0 373:738.0 374:219.0 375:92.0 376:38.0 377:16.0 378:31.0 379:3.0 386:27.0 387:892.0 388:329.0 389:449.0 390:134.0 391:73.0 392:6.0 400:2.0 401:18.0 408:52.0 410:36.0 415:60.0 417:8.0 419:13.0 422:7.0 424:2.0 426:25.0 431:40.0 444:24.0 445:1230.0 446:455.0 447:210.0 448:62.0 449:17.0 450:2.0 456:3.0 467:4.0 484:27.0 487:37.0 490:1.0 495:14.0 499:5.0
glycerol	344428	205	753	C00116	102844	86:35649.0 87:13782.0 89:52081.0 90:4636.0 91:2790.0 92:331.0 94:2130.0 95:638.0 96:309.0 97:382.0 98:441.0 99:3874.0 100:44651.0 101:54722.0 102:14716.0 103:190700.0 104:22113.0 105:17401.0 106:820.0 113:6809.0 114:4692.0 115:32295.0 116:19426.0 117:387803.0 118:38731.0 119:35848.0 127:1203.0 128:4038.0 129:54615.0 130:16196.0 131:81985.0 132:12409.0 133:263730.0 134:35271.0 135:20567.0 146:458.0 147:158232.0 148:67778.0 149:86284.0 150:6321.0 151:1607.0 158:826.0 159:9255.0 161:2618.0 162:2863.0 163:29937.0 164:3347.0 165:2469.0 172:2039.0 173:2610.0 174:126857.0 175:76933.0 176:21354.0 177:58006.0 178:9254.0 179:5758.0 184:172.0 188:976.0 189:19578.0 190:3968.0 191:46756.0 192:7753.0 193:3656.0 204:7413.0 205:207984.0 206:73294.0 207:48470.0 208:5855.0 217:53043.0 218:331546.0 219:67671.0 220:28399.0 221:15549.0 222:1861.0 262:2113.0 263:9015.0 264:2488.0 265:954.0 275:16.0 277:90.0 281:43.0 291:972.0 292:197.0 293:35210.0 294:9358.0 295:4939.0 296:617.0 306:313.0 327:11.0 331:13.0 337:45.0 338:12.0 339:12.0 340:11.0 342:40.0 343:14.0 346:12.0 348:81.0 350:18.0 352:19.0 356:15.0 357:11.0 358:39.0 359:47.0 360:100.0 365:30.0 367:29.0 372:16.0 376:46.0 379:71.0 380:74.0 384:8.0 391:22.0 394:28.0 397:44.0 400:32.0 402:74.0 412:13.0 416:42.0 422:90.0 423:52.0 426:59.0 427:78.0 429:13.0 431:51.0 432:64.0 433:35.0 435:99.0 437:37.0 439:27.0 440:16.0 442:13.0 448:36.0 449:10.0 455:17.0 460:37.0 465:28.0 467:43.0 479:47.0 480:14.0 482:12.0 484:59.0 488:15.0 491:62.0 494:24.0 499:69.0
glyceric acid	377495	189	439194	C00258	48	87:199.0 89:698.0 90:111.0 93:56.0 98:33.0 99:176.0 100:63.0 101:1315.0 102:3672.0 103:4054.0 104:371.0 105:293.0 106:106.0 107:60.0 108:48.0 113:36.0 114:94.0 115:261.0 116:366.0 117:2480.0 119:409.0 122:34.0 130:941.0 131:1036.0 133:4658.0 135:416.0 142:23.0 147:8908.0 148:1388.0 149:813.0 157:22.0 158:22.0 159:33.0 161:42.0 162:30.0 163:86.0 166:42.0 175:382.0 176:31.0 177:220.0 189:3993.0 190:816.0 191:384.0 200:21.0 204:145.0 205:651.0 206:186.0 207:46.0 208:59.0 211:24.0 217:219.0 218:46.0 219:121.0 220:23.0 221:61.0 222:50.0 237:34.0 243:25.0 245:26.0 261:32.0 264:27.0 270:30.0 273:47.0 284:30.0 285:37.0 292:1142.0 293:273.0 294:107.0 305:33.0 307:198.0 308:34.0 310:45.0 312:36.0 313:47.0 315:36.0 316:51.0 317:52.0 322:29.0 323:52.0 324:63.0 325:50.0 329:36.0 332:14.0 344:46.0 345:20.0 359:28.0 363:19.0 364:40.0 373:28.0 404:21.0 418:24.0 428:15.0 439:37.0 443:47.0 447:30.0 448:29.0 456:41.0 460:25.0 463:14.0 466:8.0 472:46.0 477:16.0 478:39.0 480:38.0 482:35.0
glutaric acid	421260	261	743	C00489	1727	88:191.0 91:36.0 97:767.0 98:37.0 99:40.0 100:340.0 101:236.0 102:261.0 103:344.0 104:57.0 114:112.0 115:81.0 116:704.0 117:526.0 118:162.0 120:11.0 128:639.0 129:1748.0 130:358.0 131:182.0 132:119.0 133:497.0 135:53.0 142:34.0 143:21.0 144:1230.0 145:204.0 147:5413.0 148:702.0 149:827.0 151:43.0 158:934.0 159:179.0 160:47.0 186:172.0 187:30.0 189:439.0 199:13.0 203:445.0 204:296.0 205:234.0 217:7.0 233:283.0 234:2432.0 235:459.0 236:156.0 261:625.0 262:69.0 373:55.0
glutamine	600315	156	5961	C00064	18	85:588.0 86:773.0 87:527.0 88:297.0 89:472.0 90:276.0 91:144.0 92:65.0 93:78.0 94:61.0 95:137.0 96:185.0 97:201.0 98:705.0 99:418.0 100:4218.0 101:1051.0 102:801.0 104:146.0 105:125.0 107:73.0 110:227.0 111:76.0 112:1090.0 113:753.0 114:2855.0 115:2580.0 116:2463.0 117:1187.0 118:279.0 119:308.0 122:34.0 124:65.0 125:100.0 126:1306.0 128:4527.0 129:1216.0 130:1701.0 131:3856.0 132:1540.0 133:2992.0 134:655.0 135:215.0 136:26.0 139:3235.0 140:1116.0 141:410.0 142:1009.0 143:245.0 144:331.0 145:1747.0 146:257.0 147:9430.0 148:1993.0 149:1681.0 150:185.0 151:69.0 152:27.0 153:67.0 154:260.0 155:14394.0 156:43220.0 157:6313.0 158:1912.0 159:272.0 160:138.0 161:51.0 162:66.0 166:44.0 167:195.0 169:63.0 171:69.0 172:337.0 173:232.0 174:201.0 176:34.0 177:50.0 181:33.0 182:15.0 183:40.0 186:56.0 187:9.0 188:718.0 189:187.0 190:105.0 191:76.0 193:70.0 195:43.0 198:53.0 199:61.0 200:144.0 201:61.0 202:143.0 203:2487.0 204:663.0 205:265.0 207:36.0 208:28.0 209:34.0 210:14.0 211:80.0 213:189.0 214:143.0 215:102.0 216:364.0 217:226.0 218:826.0 219:310.0 220:115.0 221:221.0 222:68.0 227:413.0 228:98.0 229:1162.0 230:578.0 231:180.0 232:403.0 233:34.0 234:56.0 238:18.0 240:77.0 241:83.0 243:88.0 244:176.0 245:3569.0 246:718.0 247:273.0 248:58.0 249:40.0 250:54.0 257:296.0 258:134.0 259:83.0 260:22.0 262:21.0 263:12.0 265:34.0 266:39.0 270:17.0 272:175.0 273:318.0 274:109.0 275:87.0 276:71.0 277:36.0 283:37.0 287:19.0 291:57.0 293:48.0 296:24.0 300:23.0 301:325.0 302:104.0 304:15.0 305:13.0 308:10.0 310:34.0 313:14.0 315:34.0 317:19.0 319:37.0 322:31.0 323:21.0 331:50.0 332:44.0 333:42.0 335:28.0 337:25.0 338:23.0 339:40.0 343:20.0 344:64.0 347:497.0 348:145.0 349:93.0 361:29.0 362:151.0 363:83.0 365:13.0 366:13.0 367:18.0 368:25.0 369:31.0 376:43.0 384:19.0 385:19.0 402:20.0 404:19.0 406:22.0 407:15.0 410:28.0 428:43.0 444:15.0 454:23.0 464:17.0 477:23.0 478:15.0 483:17.0 484:21.0 485:26.0 494:15.0 500:15.0
glutamic acid	529100	246	33032	C00025	28	85:1143.0 86:983.0 87:725.0 88:453.0 89:313.0 90:36.0 91:51.0 95:189.0 96:269.0 97:224.0 98:467.0 99:626.0 100:5243.0 101:1252.0 102:493.0 103:1043.0 104:79.0 105:259.0 108:335.0 109:58.0 110:448.0 111:44.0 112:737.0 113:669.0 114:1398.0 115:911.0 116:669.0 117:712.0 118:217.0 119:303.0 120:26.0 122:179.0 123:41.0 125:90.0 126:202.0 127:190.0 128:17149.0 129:3445.0 130:1476.0 131:1330.0 132:969.0 133:3394.0 134:466.0 135:117.0 139:66.0 140:2017.0 141:344.0 142:289.0 143:479.0 144:208.0 145:181.0 146:73.0 147:12395.0 148:1869.0 149:2656.0 150:257.0 151:102.0 152:182.0 153:58.0 154:124.0 155:158.0 156:9249.0 157:1356.0 158:1273.0 159:344.0 160:91.0 161:30.0 163:60.0 164:48.0 165:46.0 168:93.0 170:90.0 172:163.0 173:126.0 174:375.0 175:16.0 176:12.0 177:67.0 179:59.0 180:166.0 184:7.0 185:48.0 186:82.0 188:139.0 189:92.0 190:42.0 191:50.0 192:24.0 195:102.0 196:48.0 197:42.0 199:41.0 200:39.0 202:206.0 203:133.0 204:691.0 205:186.0 206:69.0 214:316.0 216:158.0 218:917.0 219:152.0 220:106.0 221:127.0 228:111.0 229:56.0 230:3305.0 231:516.0 232:210.0 234:35.0 241:24.0 242:12.0 245:258.0 246:17742.0 247:3507.0 248:1253.0 249:165.0 254:76.0 258:309.0 259:1.0 274:179.0 276:36.0 279:16.0 285:15.0 289:9.0 294:13.0 299:51.0 302:15.0 304:18.0 307:61.0 320:6.0 321:42.0 324:8.0 332:17.0 348:537.0 349:201.0 350:27.0 363:189.0 365:57.0 380:18.0 392:22.0 402:24.0 403:14.0 405:16.0 447:18.0 468:17.0 489:19.0 491:13.0
glucose-1-phosphate	594647	217	65533	C00103	3167	85:385.0 86:98.0 87:248.0 88:286.0 89:468.0 90:224.0 92:20.0 95:218.0 99:284.0 101:1180.0 103:1916.0 104:47.0 107:220.0 109:96.0 110:193.0 111:260.0 112:20.0 113:386.0 114:41.0 115:209.0 116:863.0 117:2309.0 118:189.0 119:243.0 125:12.0 126:151.0 128:127.0 129:1571.0 130:306.0 131:508.0 132:123.0 133:2331.0 134:352.0 135:130.0 136:1.0 139:40.0 140:858.0 141:105.0 142:138.0 143:915.0 144:125.0 145:156.0 147:8229.0 148:1243.0 149:964.0 150:76.0 151:107.0 153:55.0 155:220.0 156:22.0 157:187.0 159:40.0 160:8.0 161:143.0 163:152.0 169:760.0 170:84.0 171:30.0 177:78.0 182:7.0 183:39.0 184:231.0 185:109.0 186:40.0 189:73.0 191:1095.0 192:147.0 193:12.0 194:17.0 197:36.0 203:360.0 204:41.0 205:58.0 207:14.0 215:105.0 216:33.0 217:21439.0 218:4677.0 219:1754.0 220:265.0 221:48.0 222:7.0 223:8.0 227:47.0 229:79.0 230:32.0 231:105.0 232:1782.0 233:379.0 234:124.0 235:16.0 239:11.0 243:228.0 244:42.0 245:147.0 246:14.0 247:15.0 255:62.0 257:552.0 258:57.0 270:6.0 271:28.0 274:7.0 284:7.0 291:2.0 305:458.0 306:42.0 307:23.0 317:60.0 318:39.0 319:14.0 331:42.0 332:40.0 347:9.0 362:1.0 391:1.0 414:7.0 447:3.0 450:226.0 451:156.0 452:22.0 453:5.0 484:1.0 494:11.0
glucose	659798	319	64689	C00221	22	85:955.0 86:739.0 87:1963.0 88:1249.0 89:23654.0 90:1741.0 91:1135.0 94:110.0 95:64.0 96:681.0 97:924.0 98:177.0 99:1302.0 100:4269.0 101:5985.0 102:2628.0 103:55876.0 104:5298.0 105:6003.0 106:471.0 107:134.0 108:44.0 109:106.0 110:151.0 111:715.0 112:295.0 113:1157.0 114:1065.0 115:1902.0 116:1693.0 117:24869.0 118:2407.0 119:3013.0 120:325.0 121:179.0 122:26.0 125:71.0 126:224.0 127:784.0 128:764.0 129:26818.0 130:4097.0 131:8107.0 132:1183.0 133:20675.0 134:2878.0 135:1403.0 136:88.0 137:88.0 138:128.0 139:78.0 140:168.0 141:461.0 142:600.0 143:3011.0 144:391.0 145:752.0 146:298.0 147:74365.0 148:11914.0 149:7215.0 150:643.0 151:308.0 152:144.0 153:106.0 154:234.0 155:230.0 156:167.0 157:15880.0 158:2265.0 159:1354.0 160:26476.0 161:4855.0 162:1167.0 163:1980.0 164:353.0 165:173.0 166:66.0 167:41.0 168:218.0 169:875.0 170:314.0 171:300.0 172:779.0 173:653.0 174:336.0 175:957.0 176:247.0 177:1348.0 178:344.0 179:133.0 180:209.0 181:33.0 182:242.0 183:163.0 184:97.0 185:254.0 186:673.0 187:389.0 188:291.0 189:6007.0 190:1558.0 191:2460.0 192:417.0 193:292.0 195:60.0 196:246.0 197:91.0 198:134.0 199:66.0 200:234.0 201:1318.0 202:313.0 203:888.0 204:5053.0 205:33730.0 206:6322.0 207:3539.0 208:472.0 209:199.0 210:200.0 213:53.0 214:817.0 215:292.0 216:400.0 217:15616.0 218:2944.0 219:1198.0 220:326.0 221:1077.0 222:246.0 223:158.0 224:41.0 226:71.0 227:64.0 228:170.0 229:3566.0 230:982.0 231:1293.0 232:448.0 233:1580.0 234:523.0 235:1031.0 236:130.0 237:100.0 238:55.0 239:51.0 240:176.0 241:34.0 242:333.0 243:368.0 244:344.0 245:388.0 246:375.0 247:193.0 248:65.0 249:99.0 250:67.0 251:20.0 254:44.0 255:84.0 256:91.0 257:62.0 258:63.0 259:196.0 260:89.0 261:79.0 262:148.0 263:54.0 264:75.0 265:142.0 266:27.0 267:73.0 268:390.0 269:229.0 270:150.0 271:74.0 272:56.0 273:568.0 274:363.0 275:124.0 276:89.0 277:829.0 278:385.0 279:183.0 280:104.0 281:55.0 282:35.0 283:33.0 285:77.0 288:42.0 289:54.0 290:40.0 291:1057.0 292:312.0 293:179.0 294:59.0 295:51.0 297:42.0 299:61.0 300:246.0 302:56.0 304:108.0 305:648.0 306:254.0 307:702.0 308:154.0 309:105.0 311:48.0 312:21.0 316:37.0 317:71.0 318:429.0 319:19404.0 320:5891.0 321:2652.0 322:624.0 323:182.0 324:34.0 325:32.0 327:46.0 328:35.0 331:96.0 332:37.0 333:95.0 337:160.0 338:50.0 339:22.0 341:25.0 342:53.0 343:73.0 344:108.0 345:74.0 347:146.0 349:60.0 351:49.0 358:30.0 365:62.0 366:39.0 372:18.0 376:127.0 378:55.0 384:34.0 388:28.0 391:19.0 392:28.0 406:24.0 411:63.0 413:45.0 419:18.0 420:29.0 426:32.0 427:27.0 429:20.0 437:52.0 439:41.0 442:51.0 446:32.0 447:58.0 448:29.0 449:37.0 450:19.0 453:25.0 459:30.0 461:36.0 462:37.0 467:17.0 475:36.0 487:19.0 496:50.0
gluconic acid	693148	333	6857417	C00800	7501	87:39.0 89:155.0 99:15.0 100:306.0 101:268.0 102:393.0 103:2729.0 104:264.0 105:196.0 109:2.0 111:2.0 113:144.0 116:8.0 117:1117.0 118:12.0 127:30.0 129:1186.0 130:285.0 131:546.0 132:183.0 133:997.0 134:13.0 137:1.0 139:7.0 140:38.0 141:4.0 142:28.0 143:746.0 144:263.0 145:25.0 147:6161.0 148:1144.0 149:642.0 150:39.0 151:46.0 153:74.0 154:66.0 155:3.0 157:599.0 159:89.0 160:27.0 161:88.0 164:14.0 166:16.0 168:50.0 169:102.0 170:4.0 171:328.0 172:130.0 175:132.0 177:22.0 178:40.0 182:6.0 185:1.0 188:12.0 189:815.0 190:148.0 191:208.0 193:71.0 197:104.0 198:5.0 199:1.0 201:22.0 203:114.0 204:678.0 205:1272.0 206:309.0 207:153.0 215:154.0 216:154.0 217:1887.0 218:850.0 219:423.0 220:71.0 221:320.0 222:33.0 223:25.0 229:303.0 230:25.0 231:111.0 232:35.0 233:19.0 237:35.0 239:19.0 241:5.0 243:104.0 245:193.0 246:73.0 247:73.0 248:14.0 249:29.0 255:37.0 257:64.0 258:26.0 259:98.0 260:22.0 261:78.0 263:68.0 265:70.0 266:34.0 267:19.0 268:3.0 269:65.0 270:10.0 272:22.0 273:46.0 274:12.0 276:11.0 277:318.0 278:173.0 279:93.0 280:26.0 281:20.0 283:7.0 284:49.0 288:4.0 289:16.0 290:3.0 291:100.0 292:1494.0 293:519.0 294:243.0 295:26.0 296:7.0 301:14.0 303:27.0 304:17.0 305:815.0 306:266.0 307:361.0 308:64.0 311:12.0 314:7.0 315:22.0 316:15.0 317:16.0 318:18.0 319:562.0 320:339.0 321:186.0 322:55.0 323:11.0 324:38.0 329:25.0 331:215.0 332:100.0 333:1763.0 334:520.0 335:265.0 336:75.0 337:8.0 340:12.0 343:10.0 344:4.0 345:101.0 346:36.0 347:50.0 348:10.0 351:12.0 359:285.0 360:69.0 361:70.0 364:15.0 365:10.0 366:1.0 369:2.0 370:9.0 372:17.0 379:34.0 380:3.0 381:48.0 388:24.0 389:10.0 391:5.0 392:24.0 393:48.0 394:44.0 395:9.0 397:7.0 401:30.0 405:52.0 406:7.0 408:48.0 410:4.0 412:2.0 413:5.0 414:6.0 417:5.0 419:12.0 422:34.0 423:221.0 424:45.0 425:30.0 427:8.0 432:11.0 433:162.0 434:47.0 435:128.0 436:34.0 437:42.0 438:27.0 440:3.0 443:2.0 444:20.0 445:24.0 446:8.0 449:1.0 451:28.0 452:10.0 453:10.0 454:10.0 455:49.0 464:13.0 476:2.0 478:10.0 479:4.0 480:10.0 482:20.0
glucoheptulose	828606	217	5459879	C02076	3191	85:139.0 86:13.0 89:1593.0 91:2.0 94:55.0 97:1692.0 98:126.0 99:121.0 100:313.0 101:365.0 103:5867.0 104:480.0 105:349.0 109:19.0 111:2.0 114:1800.0 115:154.0 116:242.0 117:2040.0 118:246.0 119:195.0 120:35.0 122:30.0 128:61.0 129:1591.0 130:174.0 131:183.0 133:1318.0 134:156.0 136:15.0 141:68.0 142:187.0 143:391.0 144:75.0 147:6372.0 148:889.0 149:623.0 152:13.0 154:11.0 156:61.0 157:517.0 158:120.0 159:80.0 160:16.0 161:17.0 163:75.0 166:11.0 169:863.0 170:230.0 171:10.0 172:231.0 173:198.0 174:66.0 175:186.0 186:71.0 188:38.0 189:583.0 190:298.0 191:4525.0 192:817.0 193:211.0 194:84.0 197:9.0 199:35.0 201:59.0 202:94.0 203:12.0 204:1202.0 205:1868.0 206:369.0 207:148.0 208:106.0 215:23.0 216:58.0 217:3888.0 218:737.0 219:334.0 220:35.0 221:126.0 222:53.0 229:82.0 230:72.0 231:77.0 232:16.0 233:24.0 235:9.0 242:6.0 243:62.0 244:59.0 245:20.0 246:18.0 252:6.0 256:23.0 257:1.0 258:10.0 259:1012.0 260:248.0 261:92.0 262:751.0 263:194.0 264:56.0 265:16.0 271:37.0 277:109.0 278:72.0 289:10.0 290:4.0 291:127.0 292:41.0 295:4.0 296:3.0 304:26.0 305:411.0 306:181.0 307:687.0 308:170.0 309:57.0 310:27.0 312:20.0 316:3.0 317:9.0 318:28.0 319:546.0 320:142.0 321:85.0 324:1.0 330:6.0 331:1076.0 332:428.0 333:238.0 334:39.0 335:11.0 341:16.0 346:6.0 349:8.0 362:2.0 372:1.0 374:16.0 376:99.0 377:26.0 380:2.0 382:15.0 383:1.0 386:13.0 393:4.0 399:1.0 401:15.0 411:4.0 415:15.0 420:5.0 421:302.0 422:115.0 423:49.0 424:9.0 427:6.0 432:14.0 437:8.0 438:10.0 445:1.0 447:15.0 466:9.0 473:34.0 484:1.0 500:2.0
galactonic acid	690882	292	128869	C00880	4706	85:918.0 86:238.0 87:865.0 88:630.0 89:3376.0 90:737.0 91:316.0 95:57.0 96:68.0 97:1011.0 98:413.0 99:1406.0 100:448.0 101:4514.0 102:3806.0 103:26292.0 104:2417.0 105:1403.0 106:36.0 107:255.0 108:13.0 109:160.0 110:149.0 111:353.0 112:80.0 113:956.0 114:440.0 115:1587.0 116:1106.0 117:12863.0 118:1333.0 119:1189.0 124:209.0 125:121.0 126:8.0 127:610.0 128:752.0 129:11296.0 130:3317.0 131:4665.0 132:800.0 133:8579.0 134:1371.0 135:1003.0 137:72.0 139:58.0 140:2168.0 141:374.0 142:355.0 143:5872.0 144:852.0 145:1079.0 146:408.0 147:47167.0 148:7284.0 149:5107.0 150:586.0 151:296.0 152:157.0 153:511.0 154:86.0 155:272.0 156:483.0 157:6540.0 158:559.0 159:1237.0 160:248.0 161:362.0 162:124.0 163:589.0 164:65.0 165:69.0 167:37.0 168:10.0 169:1360.0 170:252.0 171:913.0 172:233.0 173:443.0 175:1006.0 176:133.0 177:640.0 178:104.0 179:9.0 180:73.0 181:120.0 182:36.0 183:373.0 184:678.0 185:336.0 186:116.0 187:308.0 188:229.0 189:7197.0 190:1375.0 191:3434.0 192:833.0 193:596.0 194:135.0 196:32.0 197:688.0 198:123.0 199:102.0 201:1382.0 202:237.0 203:953.0 204:4065.0 205:13548.0 206:3004.0 207:2336.0 208:44.0 209:57.0 210:53.0 213:102.0 214:29.0 215:1938.0 216:446.0 217:19325.0 218:4329.0 219:2918.0 220:1066.0 221:2947.0 222:674.0 223:431.0 224:31.0 225:42.0 226:28.0 227:218.0 228:156.0 229:2564.0 230:630.0 231:1050.0 232:489.0 233:195.0 235:6.0 237:52.0 238:16.0 239:13.0 240:19.0 241:285.0 242:81.0 243:485.0 244:361.0 245:1109.0 246:255.0 247:859.0 248:142.0 249:209.0 250:109.0 251:2.0 252:36.0 253:91.0 254:108.0 255:94.0 256:41.0 257:274.0 258:81.0 259:409.0 260:129.0 261:241.0 262:138.0 263:243.0 264:130.0 265:217.0 266:171.0 267:45.0 269:316.0 270:46.0 271:197.0 272:26.0 273:137.0 274:66.0 275:152.0 276:12.0 277:2466.0 278:690.0 279:402.0 280:137.0 281:7.0 285:11.0 287:98.0 288:20.0 289:101.0 291:2201.0 292:13303.0 293:4633.0 294:2236.0 295:578.0 296:99.0 297:93.0 298:12.0 299:134.0 300:215.0 301:34.0 302:65.0 304:179.0 305:6083.0 306:1858.0 307:1958.0 308:588.0 309:268.0 310:13.0 311:20.0 312:65.0 314:3.0 315:262.0 316:37.0 317:143.0 318:363.0 319:7680.0 320:2624.0 321:1656.0 322:326.0 323:138.0 325:21.0 327:84.0 328:25.0 330:33.0 331:1059.0 332:283.0 333:5087.0 334:1929.0 335:922.0 336:241.0 337:49.0 338:34.0 339:13.0 340:8.0 342:15.0 343:226.0 344:24.0 345:654.0 346:291.0 347:196.0 348:43.0 349:8.0 351:21.0 352:10.0 354:30.0 358:66.0 359:1600.0 360:594.0 361:358.0 362:118.0 363:25.0 367:7.0 368:15.0 370:1.0 371:20.0 375:43.0 376:33.0 379:293.0 380:213.0 381:57.0 384:12.0 385:15.0 387:24.0 389:371.0 390:301.0 391:84.0 392:10.0 393:120.0 394:144.0 395:53.0 396:7.0 399:2.0 400:7.0 401:17.0 402:16.0 405:253.0 406:324.0 407:321.0 408:70.0 409:83.0 410:3.0 413:30.0 417:9.0 418:36.0 419:29.0 420:96.0 421:162.0 422:106.0 423:303.0 424:83.0 425:44.0 426:2.0 427:11.0 429:25.0 432:59.0 433:1202.0 434:715.0 435:913.0 436:460.0 437:163.0 438:18.0 439:6.0 440:11.0 441:10.0 442:11.0 446:1.0 447:29.0 448:38.0 449:28.0 450:22.0 451:16.0 452:5.0 463:1.0 472:6.0 475:4.0 478:2.0 481:16.0 486:2.0 489:1.0 494:10.0 499:23.0
galactinol	1017580	204	11727586	C01235	1975	85:17.0 86:36.0 87:46.0 88:20.0 97:9.0 99:36.0 101:68.0 102:47.0 103:1462.0 104:144.0 105:69.0 111:44.0 116:13.0 117:137.0 118:2.0 122:4.0 124:26.0 125:24.0 129:1340.0 130:121.0 131:155.0 133:138.0 136:13.0 139:5.0 140:38.0 142:58.0 143:185.0 144:24.0 147:1783.0 148:114.0 149:219.0 153:11.0 154:30.0 155:123.0 156:92.0 157:109.0 158:4.0 159:4.0 161:42.0 163:14.0 164:29.0 165:10.0 168:5.0 169:376.0 170:56.0 171:2.0 173:58.0 175:35.0 177:115.0 178:39.0 181:12.0 185:19.0 187:13.0 189:139.0 190:45.0 191:1472.0 192:307.0 194:33.0 196:37.0 197:9.0 201:20.0 202:17.0 203:91.0 204:5560.0 205:1128.0 206:415.0 207:372.0 208:183.0 211:12.0 215:26.0 217:1852.0 218:386.0 219:78.0 221:185.0 222:141.0 224:24.0 229:24.0 230:118.0 231:36.0 233:43.0 237:11.0 243:164.0 244:13.0 245:14.0 246:5.0 251:9.0 253:49.0 258:2.0 265:19.0 271:74.0 272:33.0 276:18.0 277:2.0 281:127.0 283:91.0 286:2.0 291:63.0 293:3.0 294:31.0 299:60.0 301:23.0 304:20.0 305:190.0 306:73.0 311:20.0 313:33.0 315:52.0 317:39.0 318:29.0 319:47.0 320:15.0 321:3.0 325:18.0 327:80.0 330:18.0 342:28.0 343:71.0 344:6.0 350:1.0 354:3.0 355:10.0 361:195.0 362:39.0 368:30.0 370:4.0 379:35.0 384:23.0 389:19.0 390:11.0 392:31.0 396:15.0 399:4.0 402:3.0 407:3.0 408:1.0 410:5.0 412:19.0 413:16.0 415:39.0 422:8.0 426:1.0 432:15.0 433:84.0 434:15.0 435:42.0 437:31.0 446:5.0 454:18.0 456:30.0 475:1.0 477:2.0 486:16.0 488:7.0 491:11.0 497:27.0 500:3.0
fumaric acid	392338	245	444972	C00122	64523	87:4096.0 89:14447.0 93:5424.0 95:1377.0 97:17909.0 98:22930.0 99:25859.0 103:25556.0 104:4519.0 105:12225.0 106:1044.0 108:401.0 109:85.0 111:5421.0 113:36144.0 114:4711.0 115:203643.0 116:17056.0 117:40588.0 118:8308.0 119:17857.0 120:1207.0 121:1194.0 122:832.0 123:134.0 126:21945.0 127:60663.0 128:24748.0 129:5497.0 131:43947.0 132:16519.0 133:243740.0 134:26331.0 135:17144.0 136:749.0 138:220.0 142:11736.0 143:306504.0 144:10266.0 145:4658.0 147:1100136.0 148:148899.0 149:135665.0 150:11477.0 151:6751.0 153:1227.0 155:127196.0 156:13954.0 157:60237.0 158:1751.0 159:8454.0 161:1756.0 164:30.0 167:44.0 170:20578.0 171:18060.0 173:8605.0 178:338.0 180:295.0 182:635.0 188:5514.0 190:1275.0 191:2006.0 192:869.0 194:369.0 195:251.0 196:134.0 198:342.0 199:1382.0 201:15318.0 202:3380.0 203:2797.0 204:16378.0 206:2269.0 207:703.0 208:1082.0 209:561.0 210:542.0 212:129.0 213:1139.0 214:734.0 215:9423.0 216:4417.0 217:67553.0 218:32996.0 219:15167.0 220:4539.0 221:1901.0 222:229.0 223:93.0 225:709.0 226:236.0 227:1247.0 228:243.0 229:1410.0 230:2868.0 231:1296.0 232:632.0 233:140.0 234:388.0 235:366.0 237:464.0 239:355.0 242:3687.0 243:940.0 244:3435.0 245:1277245.0 246:125549.0 247:66109.0 259:1753.0 260:286.0 266:266.0 268:26.0 282:214.0 294:16.0 298:2487.0 312:21.0 318:8.0 324:15.0 325:12.0 336:27.0 337:23.0 338:7.0 339:26.0 340:9.0 343:16.0 345:26.0 346:13.0 347:13.0 348:25.0 350:4.0 351:17.0 352:6.0 354:39.0 355:49.0 359:38.0 360:37.0 361:19.0 364:34.0 365:35.0 367:25.0 369:6.0 374:26.0 378:36.0 379:16.0 381:17.0 384:26.0 385:32.0 390:20.0 391:28.0 393:9.0 395:29.0 397:20.0 399:34.0 400:18.0 401:35.0 402:5.0 404:25.0 405:4.0 408:30.0 411:6.0 412:22.0 414:14.0 415:15.0 417:28.0 421:31.0 426:16.0 427:2.0 428:35.0 429:19.0 431:6.0 432:7.0 434:36.0 436:15.0 437:22.0 438:33.0 439:10.0 441:26.0 442:13.0 447:3.0 448:5.0 449:17.0 451:11.0 454:11.0 458:29.0 461:23.0 462:7.0 463:41.0 464:20.0 466:6.0 467:9.0 468:24.0 469:29.0 471:1.0 472:29.0 474:19.0 476:14.0 477:3.0 479:17.0 480:29.0 483:8.0 485:11.0 486:35.0 487:4.0 488:29.0 489:31.0 490:27.0 491:32.0 493:1.0 494:19.0 498:31.0 499:24.0
fucose	578299	160	439650	C02095	3009	85:191.0 89:328.0 91:5.0 98:6.0 100:250.0 101:182.0 103:132.0 105:64.0 107:33.0 117:5349.0 118:423.0 119:197.0 127:28.0 129:429.0 130:344.0 131:248.0 133:363.0 134:138.0 143:112.0 147:658.0 148:60.0 159:12.0 160:926.0 161:309.0 162:4.0 171:31.0 174:36.0 189:39.0 191:27.0 204:79.0 205:9.0 206:19.0 217:28.0 219:124.0 223:10.0 231:37.0 233:151.0 235:13.0 277:238.0 278:54.0 293:13.0 299:12.0 321:80.0 332:5.0 342:6.0 356:8.0 365:2.0 459:5.0 468:1.0 475:10.0
ethanolamine	343800	174	700	C00189	45341	85:17544.0 86:175868.0 87:37978.0 88:16848.0 89:41209.0 90:4709.0 91:10643.0 92:1773.0 93:2745.0 94:638.0 95:902.0 96:1260.0 97:1477.0 98:2978.0 99:7231.0 100:169810.0 101:52380.0 102:24044.0 103:172854.0 104:24239.0 105:38562.0 106:5669.0 107:15911.0 108:1840.0 109:5126.0 110:2504.0 111:841.0 112:951.0 113:9857.0 114:19793.0 115:72673.0 116:28088.0 117:182126.0 118:22232.0 119:55318.0 120:8272.0 121:28203.0 122:3810.0 123:12350.0 124:1123.0 125:936.0 126:1139.0 127:1285.0 128:1944.0 129:25367.0 130:29939.0 131:75453.0 132:17909.0 133:346120.0 134:46798.0 135:85438.0 136:10727.0 137:39974.0 138:4687.0 139:4533.0 140:538.0 141:513.0 142:688.0 143:1849.0 144:4760.0 145:5807.0 146:4232.0 147:387099.0 148:58933.0 149:41759.0 150:6187.0 151:37658.0 152:4681.0 153:6042.0 154:547.0 155:372.0 156:238.0 157:245.0 158:11060.0 159:5230.0 160:1895.0 161:3007.0 162:1204.0 163:11560.0 164:2369.0 165:17148.0 166:3588.0 167:14504.0 168:1921.0 169:1632.0 170:493.0 171:1349.0 172:7360.0 173:2691.0 174:355624.0 175:76694.0 176:32605.0 177:22022.0 178:5632.0 179:11259.0 180:3221.0 181:36991.0 182:6129.0 183:13910.0 184:1613.0 185:1557.0 186:506.0 187:1408.0 188:5266.0 189:20079.0 190:5539.0 191:67417.0 192:15546.0 193:70606.0 194:15011.0 195:18172.0 196:3434.0 197:4776.0 198:1053.0 199:778.0 200:483.0 201:1785.0 202:836.0 203:11009.0 204:14324.0 205:95030.0 206:19427.0 207:71860.0 208:16188.0 209:12865.0 210:3991.0 211:115760.0 212:19444.0 213:11349.0 214:1298.0 215:421.0 216:116.0 217:4470.0 218:28065.0 219:6037.0 220:2688.0 221:8448.0 222:2276.0 223:1954.0 224:619.0 225:40685.0 226:7711.0 227:12553.0 228:2049.0 229:997.0 230:99.0 232:201.0 233:79.0 234:17.0 235:67.0 236:24.0 237:347.0 238:137.0 239:1157.0 240:262.0 241:319.0 242:101.0 243:49.0 244:49.0 245:23.0 246:191.0 247:107.0 248:60.0 249:51.0 250:54.0 251:22.0 252:353.0 253:3251.0 254:838.0 255:2819.0 256:815.0 257:420.0 258:120.0 259:98.0 260:219.0 261:501.0 262:5133.0 263:1844.0 264:868.0 265:211.0 266:148.0 267:3778.0 268:1136.0 269:6021.0 270:1620.0 271:978.0 272:181.0 273:107.0 274:95.0 275:233.0 276:205.0 277:280.0 278:127.0 279:147.0 282:324.0 283:45654.0 284:12120.0 285:7548.0 286:1366.0 287:435.0 288:24.0 289:74.0 290:91.0 291:165.0 292:175.0 293:1722.0 294:611.0 295:379.0 296:74.0 297:452.0 298:6909.0 299:692231.0 300:187999.0 301:106447.0 302:20520.0 303:5852.0 304:891.0 305:577.0 306:703.0 307:699.0 308:683.0 309:571.0 310:575.0 311:226.0 312:106.0 314:104142.0 315:29543.0 316:16643.0 317:3316.0 318:951.0 319:145.0 320:72.0 321:41.0 322:60.0 323:7.0 334:10.0 336:1.0 337:1.0 338:8.0 341:21.0 352:33.0 353:19.0 375:1.0 394:3.0 421:7.0 467:4.0 485:2.0 491:9.0
enolpyruvate NIST	234394	217	1005	C00074	16823	85:72.0 86:319.0 87:712.0 88:700.0 89:28.0 90:24.0 91:16.0 92:32.0 93:3.0 97:16.0 99:126.0 100:271.0 101:92.0 102:495.0 103:57.0 104:47.0 105:38.0 106:90.0 107:819.0 108:294.0 110:702.0 111:342.0 113:543.0 114:39.0 115:324.0 118:82.0 120:96.0 124:11.0 125:301.0 126:257.0 127:693.0 130:102.0 131:827.0 133:419.0 134:585.0 136:215.0 137:19.0 143:30.0 144:43.0 146:3.0 147:26175.0 148:4289.0 149:2351.0 150:45.0 151:100.0 152:39.0 153:16.0 166:2.0 168:74.0 171:16.0 173:92.0 180:3.0 184:366.0 185:177.0 186:52.0 189:740.0 190:150.0 198:30.0 199:85.0 201:124.0 202:1.0 209:13.0 213:32.0 215:31.0 217:3207.0 218:576.0 219:243.0 228:13.0 244:71.0 245:10.0 246:7.0 253:4.0 255:35.0 262:4.0 266:6.0 269:4.0 274:14.0 277:3.0 280:18.0 288:14.0 318:18.0 326:4.0 331:11.0 332:3.0 336:24.0 340:10.0 346:2.0 359:21.0 361:4.0 363:1.0 367:7.0 376:18.0 379:3.0 380:1.0 382:2.0 385:12.0 387:2.0 391:5.0 395:1.0 399:4.0 402:10.0 404:5.0 407:2.0 412:1.0 413:20.0 414:3.0 415:1.0 427:1.0 429:22.0 431:6.0 435:2.0 441:13.0 445:2.0 448:2.0 449:14.0 457:10.0 464:9.0 466:3.0 468:1.0 469:19.0 497:7.0
docosahexaenoic acid	902819	91	445580	C06429	87709	89:153.0 91:4417.0 92:909.0 93:2453.0 94:871.0 95:942.0 96:135.0 97:156.0 98:30.0 99:74.0 103:158.0 104:148.0 105:1782.0 106:442.0 107:727.0 108:775.0 109:294.0 110:46.0 111:42.0 115:239.0 116:175.0 117:1938.0 118:276.0 119:1453.0 120:408.0 121:401.0 122:154.0 123:56.0 128:107.0 129:1147.0 130:243.0 131:1109.0 132:276.0 133:714.0 134:388.0 135:292.0 136:81.0 137:51.0 141:89.0 142:64.0 143:202.0 144:85.0 145:622.0 146:156.0 148:232.0 149:98.0 150:28.0 151:21.0 152:28.0 155:93.0 157:127.0 159:213.0 160:117.0 161:227.0 162:98.0 165:28.0 167:20.0 169:103.0 170:33.0 171:90.0 172:49.0 173:195.0 175:186.0 176:109.0 177:33.0 179:15.0 181:35.0 182:24.0 184:49.0 185:29.0 187:116.0 188:47.0 190:32.0 194:19.0 196:25.0 199:52.0 201:55.0 203:30.0 209:18.0 214:15.0 217:80.0 218:38.0 219:29.0 222:22.0 225:26.0 239:33.0 255:19.0 264:12.0 269:14.0 273:18.0 277:20.0 278:18.0 287:15.0 289:37.0 290:24.0 291:20.0 300:17.0 302:25.0 303:19.0 314:21.0 318:25.0 321:16.0 329:14.0 330:16.0 333:18.0 357:22.0 360:18.0 370:14.0 374:24.0 413:14.0 420:14.0 431:25.0 433:36.0 444:26.0 445:27.0 447:16.0 452:16.0 453:23.0 464:22.0 465:12.0 469:16.0 473:17.0
dihydroxyacetone	332120	89	670	C00184	22000	85:347.0 86:296.0 87:242.0 88:356.0 89:3561.0 90:168.0 97:34.0 98:98.0 99:129.0 100:1180.0 101:141.0 102:427.0 103:3726.0 104:261.0 105:358.0 110:95.0 111:8.0 114:1204.0 115:134.0 116:33.0 117:58.0 119:160.0 120:2.0 121:18.0 128:42.0 130:6.0 131:151.0 133:1424.0 134:167.0 135:46.0 136:7.0 139:4.0 142:708.0 143:3.0 147:3616.0 148:459.0 149:251.0 150:1.0 151:34.0 152:3.0 154:4.0 157:51.0 158:20.0 160:521.0 161:36.0 162:1.0 163:1626.0 164:231.0 165:86.0 170:2.0 171:11.0 172:118.0 173:1059.0 174:166.0 177:2.0 179:3.0 181:15.0 182:2.0 188:11.0 189:72.0 191:57.0 196:16.0 197:7.0 202:73.0 204:6.0 205:7.0 214:1.0 215:1.0 224:1.0 229:3.0 230:1.0 232:60.0 235:5.0 248:321.0 249:22.0 251:2.0 255:3.0 257:1.0 259:6.0 261:7.0 263:16.0 271:2.0 274:2.0 278:2.0 285:5.0 288:1.0 291:5.0 294:8.0 296:4.0 302:7.0 303:13.0 304:6.0 310:8.0 311:3.0 312:3.0 313:7.0 324:5.0 330:2.0 332:1.0 334:1.0 342:4.0 343:6.0 344:7.0 345:10.0 351:3.0 357:4.0 358:2.0 367:6.0 372:6.0 373:5.0 375:33.0 380:9.0 386:2.0 387:4.0 388:1.0 392:2.0 393:7.0 395:4.0 397:1.0 399:3.0 402:5.0 404:3.0 407:1.0 412:2.0 419:7.0 421:4.0 422:2.0 424:1.0 440:3.0 449:3.0 451:6.0 454:7.0 465:7.0 471:1.0 472:1.0 481:3.0 483:16.0 484:5.0 487:2.0 488:6.0 493:7.0 500:3.0
dihydrocholesterol	1082070	215	66066	C12978	42937	85:915.0 86:94.0 87:34.0 89:485.0 91:4176.0 92:787.0 93:4869.0 94:1228.0 95:5414.0 96:299.0 97:914.0 98:121.0 99:603.0 100:190.0 101:817.0 103:357.0 104:284.0 105:3131.0 106:3045.0 107:4872.0 108:1660.0 109:2455.0 110:512.0 111:1052.0 112:39.0 113:254.0 115:321.0 116:86.0 117:909.0 118:257.0 119:2448.0 120:1216.0 121:2904.0 122:777.0 123:1040.0 124:179.0 125:446.0 128:124.0 129:1634.0 130:938.0 131:1705.0 132:154.0 133:1616.0 134:708.0 135:1659.0 136:493.0 137:319.0 138:409.0 139:126.0 141:95.0 142:1017.0 143:354.0 145:1900.0 146:599.0 147:3576.0 148:758.0 149:596.0 150:80.0 151:144.0 152:206.0 153:137.0 155:1281.0 156:236.0 157:222.0 159:1136.0 160:696.0 161:1256.0 162:346.0 163:185.0 165:289.0 166:92.0 167:70.0 168:10.0 169:216.0 171:145.0 173:651.0 174:150.0 175:574.0 176:116.0 177:293.0 179:440.0 180:87.0 181:299.0 182:87.0 183:170.0 184:110.0 186:20.0 187:318.0 188:82.0 189:301.0 190:92.0 191:229.0 192:75.0 193:1038.0 194:336.0 195:149.0 196:297.0 197:208.0 198:5.0 199:28.0 201:828.0 202:203.0 203:314.0 204:59.0 205:13.0 206:90.0 207:2300.0 208:483.0 209:296.0 210:143.0 211:421.0 212:13.0 213:58.0 214:39.0 215:3526.0 216:2044.0 217:991.0 218:148.0 219:96.0 221:302.0 222:32.0 223:118.0 224:82.0 225:9.0 226:85.0 227:1078.0 228:118.0 229:214.0 230:540.0 231:222.0 233:60.0 234:12.0 235:113.0 237:321.0 238:7.0 241:18.0 243:615.0 244:45.0 245:119.0 247:98.0 249:174.0 250:100.0 251:84.0 252:21.0 253:93.0 255:63.0 256:66.0 257:183.0 258:6.0 261:4.0 262:210.0 263:158.0 264:74.0 265:240.0 267:184.0 268:68.0 271:3.0 275:88.0 276:1.0 280:14.0 281:361.0 282:194.0 283:206.0 284:22.0 285:163.0 286:56.0 287:14.0 288:23.0 291:26.0 296:13.0 298:119.0 299:641.0 300:275.0 301:204.0 302:17.0 305:486.0 306:527.0 307:135.0 308:11.0 309:94.0 310:46.0 312:28.0 313:28.0 314:44.0 315:191.0 316:55.0 317:55.0 319:13.0 320:57.0 325:95.0 327:175.0 328:235.0 329:275.0 330:26.0 331:30.0 332:1.0 339:9.0 340:19.0 341:549.0 342:182.0 345:9.0 353:54.0 355:1023.0 356:80.0 357:18.0 359:34.0 361:2.0 367:32.0 369:191.0 370:353.0 371:185.0 373:118.0 374:2.0 375:8.0 384:7.0 385:13.0 387:45.0 389:32.0 399:19.0 400:5.0 401:31.0 402:182.0 403:273.0 404:137.0 405:11.0 410:4.0 413:37.0 415:168.0 416:116.0 417:64.0 429:17.0 430:85.0 434:21.0 443:18.0 444:42.0 445:521.0 446:298.0 447:17.0 448:16.0 453:22.0 456:4.0 459:18.0 460:402.0 461:375.0 462:16.0 463:29.0 468:12.0 475:134.0 476:78.0 477:61.0 478:9.0 488:8.0 489:69.0 490:124.0 491:67.0 492:33.0 493:3.0
D-erythro-sphingosine	859500	204	5280335	C00319	126903	100:421.0 114:218.0 116:303.0 128:133.0 129:310.0 130:24.0 147:380.0 155:21.0 188:166.0 202:115.0 204:5513.0 205:732.0 206:427.0 223:20.0 345:29.0
cytosin	486724	254	597	C00380	2186	85:305.0 86:945.0 88:631.0 89:66.0 91:93.0 92:12.0 93:60.0 94:50.0 95:688.0 96:493.0 97:996.0 98:12707.0 99:1818.0 100:5096.0 101:1193.0 102:433.0 103:101.0 104:99.0 105:431.0 106:204.0 107:67.0 108:20.0 109:92.0 110:178.0 111:229.0 112:504.0 113:1713.0 114:980.0 115:589.0 116:686.0 117:327.0 118:47.0 120:75.0 123:207.0 124:149.0 125:2555.0 126:219.0 127:121.0 128:47.0 129:459.0 130:1719.0 131:511.0 132:336.0 133:465.0 134:102.0 135:97.0 136:71.0 137:73.0 138:109.0 139:59.0 140:535.0 141:151.0 143:279.0 144:73.0 145:109.0 146:1329.0 147:3418.0 148:489.0 149:94.0 150:439.0 151:64.0 152:193.0 153:99.0 154:59.0 155:231.0 161:6.0 164:11.0 166:71.0 167:184.0 168:1124.0 169:155.0 170:6298.0 171:1452.0 172:635.0 173:122.0 178:2.0 181:40.0 182:790.0 183:354.0 184:187.0 186:38.0 187:37.0 189:35.0 190:76.0 192:1.0 194:11.0 197:439.0 198:127.0 199:69.0 201:1.0 204:5.0 205:9.0 206:2.0 207:1.0 208:207.0 210:10.0 211:33.0 212:33.0 213:61.0 215:67.0 219:2.0 220:8.0 221:5.0 223:57.0 224:390.0 225:98.0 228:12.0 230:550.0 238:2174.0 239:405.0 240:10337.0 241:2300.0 242:765.0 243:156.0 246:4.0 247:3.0 248:1.0 249:3.0 252:3.0 253:1.0 254:11187.0 255:5242.0 256:1410.0 257:386.0 258:231.0 268:2.0 273:21.0 275:28.0 288:2.0 291:1.0 293:2.0 307:6.0 326:27.0 349:21.0 412:13.0 424:21.0 482:19.0 485:24.0
cytidine-5-monophosphate	700635	243	6131	C00055	2246	85:144.0 86:125.0 87:68.0 95:74.0 97:27.0 99:140.0 100:73.0 101:52.0 102:63.0 103:170.0 105:12.0 107:4.0 111:73.0 113:108.0 114:60.0 115:113.0 116:36.0 117:50.0 119:18.0 121:11.0 123:12.0 125:20.0 129:308.0 130:71.0 131:47.0 133:687.0 135:189.0 137:50.0 140:12.0 141:91.0 142:23.0 143:12.0 144:18.0 147:1244.0 148:217.0 149:105.0 151:75.0 152:6.0 153:132.0 154:7.0 157:15.0 162:14.0 164:23.0 167:29.0 168:1.0 169:1260.0 170:202.0 171:154.0 172:65.0 173:30.0 174:30.0 176:19.0 177:32.0 179:16.0 181:119.0 182:15.0 183:24.0 184:158.0 185:49.0 187:21.0 193:51.0 195:139.0 196:30.0 197:41.0 199:3.0 207:133.0 208:6.0 210:33.0 211:836.0 212:73.0 213:111.0 214:8.0 215:115.0 216:1.0 217:31.0 218:522.0 219:59.0 220:44.0 225:102.0 226:43.0 227:246.0 228:39.0 229:10.0 230:45.0 231:13.0 233:8.0 236:6.0 241:27.0 242:8.0 243:1849.0 244:401.0 245:227.0 246:11.0 247:9.0 248:3.0 252:21.0 253:63.0 254:33.0 255:19.0 256:28.0 257:54.0 258:817.0 259:263.0 260:89.0 261:23.0 262:7.0 265:1.0 267:5.0 268:19.0 271:9.0 275:27.0 276:9.0 282:3.0 284:15.0 292:14.0 293:21.0 297:2.0 298:21.0 299:812.0 300:259.0 301:149.0 302:20.0 303:1.0 307:7.0 308:5.0 313:39.0 314:34.0 315:666.0 316:182.0 317:73.0 318:36.0 324:3.0 325:2.0 326:5.0 327:27.0 332:3.0 335:6.0 338:8.0 343:22.0 346:4.0 348:6.0 350:2.0 354:46.0 357:36.0 359:5.0 367:9.0 374:16.0 378:14.0 379:4.0 387:20.0 390:4.0 391:1.0 392:12.0 398:4.0 401:19.0 402:13.0 403:2.0 409:4.0 410:5.0 414:19.0 419:14.0 420:1.0 423:7.0 426:2.0 429:26.0 434:13.0 435:1.0 436:1.0 438:5.0 442:3.0 447:5.0 448:9.0 454:12.0 456:2.0 459:4.0 460:25.0 461:15.0 463:30.0 468:5.0 469:3.0 470:11.0 474:16.0 475:12.0 478:18.0 479:2.0 480:8.0 485:33.0 486:15.0 487:6.0 489:16.0 496:6.0 499:12.0
cytidine	934269	223			137364	86:146.0 94:21.0 95:87.0 97:71.0 98:385.0 100:784.0 101:421.0 102:105.0 103:633.0 111:31.0 112:64.0 113:120.0 115:88.0 117:263.0 119:64.0 122:57.0 123:33.0 124:21.0 125:172.0 127:78.0 129:396.0 130:61.0 133:470.0 134:55.0 135:45.0 140:41.0 141:67.0 142:46.0 143:139.0 145:99.0 147:1793.0 148:178.0 149:45.0 151:48.0 152:91.0 153:72.0 163:25.0 166:62.0 167:349.0 168:863.0 169:407.0 170:222.0 172:17.0 175:22.0 182:215.0 183:52.0 184:801.0 185:97.0 186:32.0 189:63.0 193:48.0 195:447.0 196:124.0 204:113.0 212:47.0 215:113.0 217:1261.0 218:404.0 219:165.0 223:2582.0 224:338.0 225:121.0 230:92.0 240:444.0 241:149.0 242:36.0 243:480.0 244:70.0 245:1056.0 246:206.0 247:87.0 254:132.0 255:34.0 256:414.0 257:183.0 258:243.0 284:110.0 285:78.0 298:36.0 314:80.0 315:19.0 338:14.0 348:56.0
cystine	804619	218	595	C01420	94	85:108.0 86:247.0 87:139.0 88:76.0 89:69.0 91:149.0 92:44.0 93:30.0 95:38.0 98:79.0 99:84.0 100:3048.0 101:429.0 102:207.0 103:131.0 104:31.0 109:39.0 111:37.0 114:248.0 115:750.0 116:370.0 117:152.0 118:99.0 119:32.0 120:118.0 121:41.0 122:20.0 128:86.0 129:101.0 130:257.0 131:402.0 132:617.0 133:343.0 134:123.0 135:57.0 143:27.0 144:115.0 145:43.0 146:3584.0 147:1813.0 148:1380.0 149:261.0 156:21.0 157:29.0 158:55.0 160:66.0 167:29.0 172:110.0 173:20.0 174:87.0 178:272.0 179:44.0 188:147.0 194:27.0 195:18.0 201:20.0 202:50.0 203:99.0 205:31.0 207:52.0 216:208.0 218:3003.0 219:625.0 220:327.0 221:84.0 230:22.0 232:341.0 241:16.0 243:13.0 246:15.0 250:69.0 260:32.0 264:234.0 265:140.0 266:534.0 267:67.0 268:64.0 274:12.0 277:25.0 281:20.0 288:47.0 289:53.0 290:16.0 296:42.0 297:151.0 299:39.0 300:23.0 302:24.0 303:23.0 308:13.0 317:31.0 322:33.0 332:16.0 338:18.0 339:32.0 347:17.0 367:20.0 382:14.0 411:142.0 487:14.0
cysteine-glycine	715335	220	439498	C01419	2787	85:185.0 86:404.0 88:100.0 90:67.0 91:332.0 92:34.0 94:53.0 97:57.0 98:151.0 99:49.0 100:1375.0 101:377.0 102:262.0 103:390.0 104:15.0 105:20.0 107:142.0 110:50.0 112:23.0 113:69.0 114:78.0 115:367.0 116:813.0 118:39.0 126:62.0 129:25.0 130:279.0 131:65.0 132:916.0 134:134.0 135:1.0 141:102.0 142:99.0 144:44.0 146:198.0 147:351.0 148:451.0 154:30.0 155:46.0 157:102.0 158:256.0 159:18.0 160:51.0 172:591.0 173:91.0 174:739.0 175:61.0 176:92.0 184:106.0 185:132.0 186:10.0 190:1.0 197:1.0 199:28.0 200:48.0 204:65.0 213:6.0 217:49.0 218:12.0 220:4383.0 221:868.0 222:561.0 223:12.0 232:4.0 233:9.0 252:6.0 258:3.0 263:6.0 270:4.0 271:17.0 273:14.0 275:620.0 276:137.0 277:59.0 279:4.0 287:2.0 290:28.0 292:19.0 293:41.0 299:15.0 309:6.0 324:14.0 346:2.0 351:24.0 357:1.0 361:43.0 369:24.0 379:49.0 402:1.0 411:21.0 429:9.0 445:10.0 448:2.0 450:13.0 461:5.0 463:4.0 465:8.0 486:8.0
cysteine	500158	220	5862	C00097	65	86:175.0 90:83.0 91:341.0 97:81.0 98:68.0 100:3118.0 101:289.0 102:126.0 103:157.0 104:40.0 106:71.0 111:61.0 112:46.0 113:48.0 115:193.0 116:681.0 117:121.0 119:107.0 120:61.0 130:238.0 132:808.0 133:307.0 135:39.0 146:182.0 147:1274.0 149:187.0 163:84.0 172:22.0 204:108.0 217:15.0 218:2544.0 219:362.0 220:2803.0 221:383.0 222:297.0 223:28.0 231:29.0 232:38.0 262:21.0 287:23.0 301:27.0 304:25.0 312:12.0 322:14.0 325:41.0 330:18.0 336:30.0 348:15.0 365:12.0 377:21.0 394:15.0 399:20.0 404:21.0 406:19.0 409:25.0 439:20.0 449:26.0 465:33.0 480:25.0 495:26.0 499:25.0
creatinine	502599	115	588	C00791	31	85:370.0 88:85.0 89:36.0 93:61.0 98:181.0 99:1414.0 100:9158.0 101:1232.0 103:128.0 108:34.0 111:15.0 113:594.0 114:567.0 115:27718.0 116:1868.0 118:47.0 124:34.0 130:931.0 134:91.0 135:38.0 136:59.0 139:101.0 142:85.0 143:10910.0 144:1070.0 147:1641.0 155:268.0 158:453.0 159:92.0 160:80.0 161:20.0 162:30.0 165:17.0 167:15.0 169:18.0 170:66.0 171:2993.0 172:140.0 173:285.0 174:113.0 175:26.0 176:37.0 177:19.0 178:18.0 179:22.0 181:27.0 183:40.0 185:83.0 186:60.0 187:655.0 188:221.0 189:99.0 190:40.0 191:21.0 194:26.0 197:24.0 199:144.0 202:39.0 203:34.0 205:8.0 206:46.0 210:37.0 211:18.0 212:28.0 213:79.0 215:275.0 216:120.0 217:64.0 218:14.0 219:27.0 220:29.0 225:28.0 226:126.0 227:75.0 229:62.0 231:19.0 233:24.0 237:17.0 240:68.0 247:20.0 255:22.0 256:36.0 257:61.0 258:27.0 259:23.0 262:21.0 263:18.0 277:28.0 285:23.0 290:27.0 293:19.0 294:26.0 297:13.0 303:15.0 309:16.0 312:25.0 313:34.0 314:787.0 315:277.0 316:131.0 317:12.0 319:17.0 321:17.0 326:22.0 327:21.0 329:1086.0 331:136.0 335:20.0 341:24.0 345:30.0 347:25.0 348:15.0 349:24.0 350:29.0 353:14.0 357:22.0 368:22.0 373:28.0 375:18.0 378:22.0 392:21.0 394:13.0 401:11.0 403:27.0 405:25.0 431:14.0 455:21.0 461:17.0 470:23.0 475:26.0 476:26.0 478:23.0 479:28.0 484:27.0 487:17.0 490:31.0 496:20.0 497:24.0
conduritol-beta-epoxide	675635	318	9989541		2670	85:36.0 86:264.0 87:119.0 89:71.0 90:3.0 96:4.0 97:45.0 100:25.0 101:25.0 102:89.0 103:1499.0 104:98.0 106:19.0 108:25.0 110:52.0 111:13.0 113:96.0 114:7.0 115:120.0 116:89.0 117:65.0 120:22.0 121:16.0 122:20.0 125:21.0 126:64.0 127:5.0 128:52.0 129:2124.0 130:118.0 131:398.0 132:68.0 133:1415.0 139:13.0 140:24.0 141:13.0 142:4.0 143:397.0 144:106.0 146:101.0 147:5675.0 148:698.0 149:369.0 150:2.0 153:7.0 154:265.0 159:257.0 160:21.0 161:150.0 162:2.0 164:1.0 167:6.0 169:31.0 171:69.0 172:1.0 174:7.0 176:19.0 177:98.0 178:19.0 179:437.0 180:61.0 182:17.0 184:26.0 185:24.0 187:24.0 189:113.0 190:146.0 191:2677.0 192:388.0 193:165.0 197:141.0 198:1.0 199:61.0 200:33.0 202:8.0 204:806.0 205:402.0 206:111.0 208:1.0 211:9.0 213:15.0 215:50.0 217:4038.0 218:487.0 219:244.0 220:186.0 221:455.0 222:43.0 223:2.0 227:30.0 228:8.0 229:11.0 230:77.0 233:165.0 234:14.0 237:7.0 239:75.0 240:3.0 241:257.0 242:41.0 243:116.0 244:58.0 247:15.0 253:22.0 255:23.0 256:8.0 257:681.0 258:125.0 260:77.0 261:37.0 265:1048.0 266:188.0 267:197.0 268:72.0 270:11.0 271:17.0 272:24.0 274:15.0 277:1.0 278:4.0 279:26.0 282:19.0 283:9.0 286:27.0 288:14.0 289:59.0 291:247.0 292:34.0 293:78.0 295:12.0 298:26.0 300:18.0 301:16.0 304:10.0 305:2404.0 306:625.0 307:293.0 308:31.0 309:5.0 314:34.0 315:109.0 316:16.0 317:40.0 318:2741.0 319:988.0 320:374.0 321:61.0 322:23.0 325:33.0 326:28.0 331:512.0 332:127.0 333:7.0 335:28.0 336:3.0 341:13.0 342:7.0 344:8.0 349:4.0 354:11.0 357:13.0 361:27.0 367:139.0 368:148.0 369:104.0 370:3.0 371:6.0 384:1.0 386:6.0 390:6.0 393:38.0 394:13.0 395:12.0 396:1.0 403:5.0 407:3.0 413:5.0 419:109.0 424:33.0 432:119.0 433:160.0 434:80.0 435:23.0 443:18.0 452:4.0 455:13.0 460:2.0 467:7.0 472:1.0 479:9.0 485:3.0 491:1.0 492:5.0 497:17.0
citrulline	622918	157	9750	C00327	46151	87:340.0 88:98.0 89:2185.0 90:1081.0 98:279.0 99:1335.0 100:7486.0 101:1042.0 103:929.0 115:823.0 117:798.0 118:276.0 119:246.0 120:21.0 121:96.0 122:62.0 123:75.0 124:75.0 125:3618.0 126:472.0 127:1589.0 128:422.0 129:115.0 134:78.0 138:82.0 139:226.0 140:723.0 141:1549.0 144:544.0 147:2011.0 148:151.0 149:101.0 150:32.0 155:427.0 157:8319.0 158:1440.0 159:578.0 166:68.0 167:164.0 168:290.0 169:75.0 170:190.0 171:842.0 172:510.0 173:171.0 185:28.0 187:227.0 188:155.0 191:57.0 198:36.0 203:141.0 210:113.0 213:106.0 215:136.0 216:139.0 218:398.0 230:48.0 233:13.0 240:195.0 241:35.0 242:17.0 243:99.0 244:257.0 245:100.0 246:38.0 256:2673.0 257:711.0 258:172.0 260:29.0 268:65.0 269:21.0 274:35.0 286:12.0 299:79.0 313:15.0 314:13.0 329:11.0 340:2.0 345:9.0 351:11.0 352:2.0 358:70.0 359:7.0 373:111.0 374:55.0 377:12.0 469:5.0 471:6.0
citric acid	617342	273	311	C00158	288	85:108.0 87:167.0 88:92.0 89:136.0 92:58.0 93:86.0 95:193.0 96:108.0 97:78.0 99:605.0 100:143.0 101:223.0 102:92.0 103:336.0 104:70.0 105:58.0 109:24.0 110:55.0 111:256.0 112:15.0 114:87.0 115:639.0 116:312.0 117:522.0 118:105.0 119:62.0 120:32.0 124:17.0 125:53.0 126:49.0 127:177.0 128:22.0 129:915.0 131:952.0 132:92.0 133:1929.0 134:60.0 135:258.0 136:35.0 137:44.0 139:90.0 140:83.0 141:331.0 142:86.0 143:477.0 144:77.0 145:76.0 146:47.0 147:10067.0 148:1778.0 149:1131.0 150:225.0 151:7.0 152:37.0 153:16.0 155:64.0 156:38.0 157:237.0 158:61.0 159:72.0 160:57.0 161:96.0 162:22.0 163:183.0 164:27.0 165:59.0 166:35.0 167:23.0 168:16.0 169:129.0 170:11.0 171:168.0 172:64.0 173:128.0 174:50.0 175:66.0 177:28.0 178:42.0 179:36.0 182:29.0 183:1284.0 184:180.0 185:362.0 186:68.0 187:31.0 188:26.0 189:120.0 190:135.0 191:107.0 192:45.0 193:28.0 195:34.0 196:25.0 197:16.0 198:22.0 199:13.0 200:24.0 201:86.0 202:21.0 204:64.0 205:91.0 207:168.0 210:13.0 211:1318.0 212:188.0 213:146.0 215:221.0 217:281.0 218:68.0 221:479.0 222:99.0 223:38.0 227:35.0 228:49.0 229:92.0 230:87.0 231:131.0 233:43.0 234:40.0 237:17.0 240:19.0 242:17.0 243:20.0 245:53.0 246:24.0 247:19.0 249:25.0 250:23.0 253:19.0 256:18.0 257:581.0 259:94.0 260:49.0 262:16.0 267:28.0 268:44.0 269:27.0 271:44.0 272:64.0 273:4585.0 274:923.0 275:418.0 276:93.0 277:45.0 278:30.0 279:22.0 283:37.0 285:183.0 287:95.0 289:27.0 290:23.0 292:21.0 298:25.0 300:27.0 301:92.0 302:68.0 303:84.0 304:55.0 305:240.0 306:21.0 307:23.0 308:16.0 312:30.0 320:6.0 322:31.0 325:26.0 326:12.0 329:18.0 330:24.0 331:44.0 332:21.0 335:42.0 337:12.0 343:20.0 346:38.0 347:722.0 348:178.0 349:50.0 350:35.0 355:20.0 356:13.0 358:12.0 363:419.0 364:156.0 365:44.0 367:29.0 370:19.0 374:37.0 375:555.0 376:155.0 379:17.0 396:37.0 400:33.0 407:23.0 420:20.0 423:23.0 429:17.0 437:28.0 439:31.0 448:42.0 449:41.0 450:16.0 452:31.0 455:26.0 456:19.0 457:27.0 459:32.0 461:28.0 462:28.0 464:32.0 465:80.0 467:9.0 469:42.0 472:23.0 473:25.0 474:23.0 476:34.0 477:20.0 482:28.0 486:35.0 488:28.0 491:30.0 492:25.0 499:16.0 500:39.0
cis-gondoic acid	847372	367	5282768	C16526	87783	85:2318.0 89:1537.0 91:1953.0 92:494.0 93:1867.0 94:1814.0 95:6984.0 96:10449.0 97:6552.0 98:6703.0 99:1435.0 105:1710.0 106:308.0 107:1454.0 108:883.0 109:3479.0 110:3575.0 111:2492.0 112:1073.0 113:314.0 117:29549.0 118:2998.0 119:2252.0 120:341.0 121:1361.0 122:447.0 123:2047.0 124:1355.0 125:876.0 126:132.0 127:401.0 129:20607.0 130:2301.0 131:4009.0 132:4647.0 133:2381.0 134:1003.0 135:968.0 136:299.0 137:1325.0 138:918.0 139:275.0 141:83.0 143:1184.0 145:8092.0 146:1106.0 148:607.0 149:268.0 150:186.0 151:630.0 152:1111.0 153:196.0 155:781.0 157:471.0 158:255.0 159:361.0 161:88.0 162:77.0 163:127.0 165:288.0 166:392.0 169:344.0 170:193.0 171:700.0 172:252.0 173:202.0 175:109.0 177:59.0 183:357.0 185:1515.0 187:288.0 188:93.0 190:49.0 192:254.0 194:247.0 199:1939.0 200:227.0 201:471.0 203:89.0 207:177.0 208:726.0 209:163.0 211:222.0 213:241.0 216:107.0 219:53.0 222:154.0 227:241.0 229:175.0 230:11.0 231:110.0 233:292.0 234:282.0 235:145.0 237:122.0 241:230.0 242:85.0 243:100.0 248:117.0 249:195.0 250:482.0 251:186.0 255:122.0 267:58.0 269:125.0 270:102.0 274:86.0 279:110.0 293:418.0 339:103.0 366:171.0 367:1977.0 368:900.0 369:232.0 370:85.0 382:176.0 385:84.0 387:97.0 433:80.0 437:63.0 448:77.0 464:249.0 465:77.0 467:59.0 476:38.0 491:74.0
cis-caffeic acid	688023	219	1549111		16593	89:103.0 91:67.0 93:38.0 94:23.0 98:49.0 101:17.0 105:8.0 106:23.0 108:9.0 116:26.0 117:267.0 119:88.0 120:74.0 121:31.0 123:15.0 124:12.0 127:5.0 128:34.0 129:429.0 130:106.0 131:139.0 135:4.0 143:149.0 145:6.0 149:127.0 155:34.0 159:15.0 160:33.0 161:36.0 163:14.0 169:13.0 174:1.0 175:145.0 176:20.0 179:49.0 181:45.0 182:13.0 185:3.0 189:36.0 191:813.0 192:130.0 193:31.0 203:38.0 204:303.0 205:120.0 217:831.0 218:261.0 219:3413.0 220:567.0 221:303.0 222:16.0 223:61.0 230:10.0 231:40.0 233:23.0 234:8.0 235:12.0 243:41.0 247:20.0 249:246.0 251:23.0 252:5.0 255:3.0 260:10.0 267:6.0 268:8.0 270:7.0 271:2.0 278:16.0 280:20.0 291:14.0 292:46.0 293:73.0 295:58.0 305:82.0 306:3.0 307:123.0 318:52.0 319:19.0 325:8.0 341:108.0 355:13.0 356:10.0 360:18.0 375:10.0 381:152.0 382:41.0 383:32.0 395:5.0 396:472.0 397:241.0 398:44.0 399:3.0 417:4.0 420:8.0 422:3.0 423:19.0 426:10.0 429:13.0 438:9.0 497:13.0 498:4.0
cholesterone	1095940	456	91477	C00599	170271	85:327.0 87:127.0 88:149.0 89:147.0 90:32.0 91:999.0 92:232.0 93:1255.0 94:239.0 95:1365.0 96:446.0 97:394.0 100:133.0 101:272.0 102:192.0 103:788.0 104:249.0 105:1577.0 107:529.0 109:492.0 111:57.0 113:98.0 115:355.0 116:46.0 117:539.0 118:279.0 119:1182.0 120:357.0 121:277.0 123:235.0 125:107.0 126:144.0 127:331.0 128:364.0 129:1423.0 130:312.0 131:933.0 132:449.0 133:557.0 136:138.0 137:119.0 142:204.0 143:866.0 144:106.0 145:784.0 146:265.0 147:1514.0 148:355.0 149:216.0 151:56.0 152:48.0 154:38.0 155:341.0 156:173.0 157:444.0 158:291.0 159:397.0 160:133.0 161:323.0 166:51.0 167:254.0 168:63.0 169:348.0 170:104.0 171:230.0 173:99.0 175:128.0 179:166.0 180:72.0 181:177.0 182:82.0 184:51.0 185:68.0 187:62.0 190:44.0 191:156.0 193:253.0 195:102.0 196:221.0 197:120.0 198:40.0 199:122.0 200:69.0 203:51.0 205:101.0 207:615.0 208:558.0 209:502.0 210:225.0 211:332.0 212:50.0 217:100.0 218:73.0 219:192.0 220:64.0 222:68.0 225:34.0 231:91.0 232:84.0 233:772.0 234:255.0 235:104.0 238:52.0 239:20.0 243:131.0 244:16.0 246:70.0 247:169.0 248:46.0 249:50.0 250:52.0 253:100.0 254:90.0 261:68.0 263:43.0 265:52.0 266:54.0 267:46.0 268:47.0 269:43.0 273:53.0 275:32.0 276:31.0 279:31.0 281:47.0 286:30.0 287:46.0 288:22.0 292:24.0 296:54.0 297:55.0 298:24.0 299:96.0 302:55.0 303:31.0 305:42.0 306:39.0 309:30.0 311:46.0 313:75.0 314:55.0 315:77.0 317:27.0 318:74.0 320:15.0 322:24.0 323:37.0 324:50.0 325:33.0 326:66.0 327:45.0 328:53.0 329:37.0 330:53.0 332:46.0 333:25.0 335:18.0 336:20.0 337:19.0 340:30.0 341:50.0 343:105.0 348:39.0 349:57.0 351:156.0 354:58.0 357:24.0 359:20.0 365:51.0 366:98.0 367:86.0 375:22.0 382:19.0 386:51.0 389:38.0 392:21.0 393:23.0 399:55.0 400:15.0 405:17.0 407:21.0 409:27.0 412:12.0 413:25.0 415:49.0 416:29.0 419:13.0 421:28.0 425:18.0 428:58.0 429:20.0 430:19.0 434:31.0 437:16.0 438:18.0 440:33.0 441:106.0 442:144.0 444:59.0 451:21.0 454:43.0 455:391.0 456:3179.0 457:2892.0 458:1241.0 459:179.0 460:121.0 461:49.0 462:17.0 484:14.0 487:11.0 493:15.0 498:27.0
cholesterol	1078536	129	5997	C00187	19	85:3277.0 86:357.0 87:698.0 88:331.0 89:2173.0 90:402.0 91:29340.0 92:4360.0 93:20764.0 94:3772.0 95:27816.0 96:2369.0 97:5814.0 98:576.0 99:1514.0 100:67.0 101:2755.0 102:616.0 103:3141.0 104:1732.0 105:26895.0 106:4885.0 107:20090.0 108:3742.0 109:12657.0 110:1522.0 111:3689.0 112:263.0 113:906.0 114:11.0 115:5342.0 116:2555.0 117:9801.0 118:2755.0 119:20567.0 120:8989.0 121:16634.0 122:2141.0 123:4503.0 124:437.0 125:1170.0 127:1663.0 128:3577.0 129:54005.0 130:8829.0 131:13284.0 132:3825.0 133:11161.0 134:2718.0 135:6902.0 136:1043.0 137:1921.0 138:221.0 139:366.0 140:34.0 141:1736.0 142:1564.0 143:8660.0 144:2673.0 145:14947.0 146:3939.0 147:8061.0 148:1915.0 149:3985.0 150:610.0 151:1319.0 152:408.0 153:758.0 154:319.0 155:3169.0 156:1021.0 157:3810.0 158:1828.0 159:9076.0 160:5601.0 161:6795.0 162:1227.0 163:4384.0 164:458.0 165:1284.0 166:161.0 167:384.0 168:347.0 169:1185.0 170:423.0 171:2081.0 172:834.0 173:3703.0 174:1262.0 175:2235.0 176:439.0 177:1560.0 178:113.0 179:858.0 180:243.0 181:887.0 182:560.0 183:716.0 184:280.0 185:1819.0 186:590.0 187:1277.0 188:206.0 189:1339.0 190:309.0 191:332.0 192:162.0 193:955.0 194:180.0 195:202.0 196:482.0 197:729.0 198:263.0 199:1768.0 200:662.0 201:1515.0 202:242.0 203:1729.0 204:370.0 205:745.0 206:395.0 207:1056.0 208:276.0 209:107.0 210:110.0 211:254.0 212:189.0 213:3077.0 214:734.0 215:1368.0 216:439.0 217:1498.0 218:326.0 219:1206.0 220:313.0 221:23.0 224:30.0 225:87.0 226:79.0 227:502.0 228:534.0 229:661.0 230:170.0 231:364.0 232:115.0 233:900.0 234:177.0 235:204.0 236:85.0 237:55.0 238:52.0 239:177.0 240:60.0 241:339.0 242:144.0 243:210.0 244:59.0 245:572.0 246:461.0 247:2344.0 248:403.0 249:125.0 250:59.0 252:53.0 253:179.0 254:30.0 255:2800.0 256:601.0 257:163.0 258:64.0 259:538.0 260:243.0 261:199.0 263:32.0 264:23.0 265:65.0 273:274.0 274:225.0 275:639.0 276:187.0 281:145.0 282:75.0 283:120.0 284:36.0 285:63.0 286:82.0 287:170.0 288:74.0 289:90.0 290:43.0 291:75.0 292:49.0 293:15.0 296:49.0 297:104.0 298:74.0 299:129.0 300:98.0 301:381.0 302:72.0 303:115.0 306:40.0 309:24.0 310:40.0 311:54.0 313:138.0 314:139.0 315:97.0 316:21.0 317:63.0 325:87.0 326:283.0 327:494.0 328:1516.0 329:5692.0 330:1874.0 331:297.0 332:48.0 333:26.0 339:121.0 340:250.0 341:51.0 342:94.0 345:35.0 348:13.0 350:24.0 352:51.0 353:2296.0 354:1049.0 355:294.0 356:56.0 359:28.0 360:26.0 366:37.0 367:311.0 368:4398.0 369:2014.0 370:454.0 371:32.0 373:31.0 377:19.0 381:21.0 383:18.0 384:15.0 387:31.0 389:26.0 401:14.0 402:26.0 409:16.0 418:10.0 420:7.0 426:14.0 430:34.0 443:382.0 444:223.0 445:52.0 448:21.0 452:20.0 455:31.0 456:34.0 457:237.0 458:1008.0 459:866.0 460:253.0 461:82.0 462:32.0 484:18.0 486:19.0
cellobiose	932179	204	6255	C01971	1373	85:169.0 86:40.0 87:224.0 89:1164.0 93:16.0 95:81.0 96:78.0 97:144.0 99:39.0 100:142.0 101:420.0 102:239.0 103:2566.0 104:303.0 105:530.0 107:39.0 108:20.0 113:215.0 114:2.0 115:122.0 116:171.0 117:1882.0 119:55.0 123:25.0 125:56.0 127:215.0 129:1861.0 130:230.0 131:535.0 132:80.0 133:993.0 141:125.0 142:21.0 143:419.0 144:69.0 145:87.0 146:72.0 147:5903.0 148:921.0 149:340.0 155:337.0 156:102.0 157:308.0 159:101.0 160:711.0 161:166.0 162:103.0 163:212.0 165:54.0 166:53.0 167:40.0 169:754.0 170:151.0 171:22.0 173:147.0 177:72.0 183:91.0 187:25.0 189:441.0 191:683.0 192:99.0 193:4.0 200:19.0 203:74.0 204:3798.0 205:1516.0 206:247.0 210:83.0 216:40.0 217:2047.0 218:429.0 219:68.0 220:36.0 221:143.0 229:139.0 231:159.0 232:71.0 233:137.0 241:13.0 243:224.0 244:122.0 245:51.0 246:46.0 247:56.0 254:10.0 255:39.0 256:9.0 257:90.0 259:66.0 262:59.0 269:77.0 270:77.0 271:387.0 272:77.0 273:91.0 274:50.0 275:63.0 277:34.0 279:57.0 281:52.0 288:46.0 289:35.0 290:16.0 292:15.0 295:34.0 300:12.0 302:37.0 305:93.0 310:38.0 311:60.0 313:60.0 314:50.0 315:29.0 317:80.0 318:44.0 319:476.0 320:181.0 321:114.0 322:73.0 324:43.0 325:52.0 329:71.0 331:146.0 332:98.0 347:20.0 348:32.0 349:66.0 356:7.0 358:70.0 359:78.0 360:71.0 361:1011.0 362:372.0 363:206.0 364:13.0 365:27.0 367:19.0 371:44.0 377:25.0 378:47.0 379:25.0 381:47.0 382:17.0 384:34.0 386:46.0 389:48.0 390:63.0 393:34.0 414:50.0 419:37.0 426:14.0 451:13.0 470:21.0 499:35.0
capric acid	451790	229	2969	C01571	726	85:361.0 86:211.0 87:97.0 88:188.0 89:198.0 91:72.0 92:53.0 93:28.0 95:596.0 97:211.0 98:268.0 99:154.0 100:272.0 101:339.0 102:103.0 105:195.0 107:56.0 108:74.0 109:24.0 111:141.0 112:93.0 115:176.0 116:533.0 117:8029.0 118:528.0 119:291.0 122:50.0 123:33.0 125:55.0 126:57.0 129:3117.0 130:404.0 131:2042.0 132:1733.0 133:413.0 134:170.0 136:42.0 138:29.0 139:27.0 143:208.0 145:657.0 150:34.0 152:47.0 153:55.0 155:102.0 156:55.0 157:88.0 158:44.0 159:184.0 160:26.0 165:63.0 166:33.0 167:65.0 169:51.0 171:44.0 173:80.0 184:71.0 185:175.0 187:96.0 188:44.0 190:51.0 193:19.0 194:19.0 195:27.0 196:22.0 197:28.0 199:49.0 200:32.0 201:187.0 202:121.0 203:33.0 205:44.0 210:27.0 212:23.0 214:56.0 215:48.0 217:38.0 218:39.0 219:23.0 220:35.0 222:66.0 223:31.0 224:47.0 227:21.0 228:95.0 229:1694.0 230:344.0 231:48.0 234:22.0 235:49.0 238:19.0 239:38.0 242:30.0 244:74.0 248:24.0 249:32.0 251:16.0 259:43.0 261:21.0 262:83.0 264:21.0 265:71.0 266:63.0 268:31.0 271:28.0 273:39.0 275:29.0 276:20.0 277:33.0 278:15.0 279:21.0 280:23.0 283:27.0 284:37.0 285:44.0 286:20.0 287:48.0 288:44.0 290:48.0 291:54.0 292:24.0 294:19.0 296:30.0 297:40.0 298:43.0 299:56.0 300:50.0 301:21.0 302:32.0 304:9.0 305:13.0 306:63.0 307:48.0 308:35.0 309:16.0 310:21.0 311:47.0 312:37.0 313:32.0 315:25.0 316:23.0 317:19.0 319:28.0 320:39.0 321:30.0 322:38.0 323:28.0 324:40.0 325:25.0 326:17.0 327:34.0 328:41.0 329:42.0 330:49.0 331:36.0 334:54.0 335:44.0 337:55.0 338:18.0 339:42.0 340:42.0 341:27.0 342:40.0 343:38.0 344:10.0 346:50.0 347:17.0 348:48.0 350:37.0 351:30.0 352:52.0 353:25.0 354:60.0 357:37.0 358:12.0 361:11.0 363:44.0 367:48.0 368:36.0 369:42.0 373:41.0 378:34.0 379:30.0 380:18.0 382:46.0 384:60.0 386:28.0 387:43.0 388:36.0 389:12.0 390:36.0 391:21.0 393:42.0 395:25.0 396:33.0 397:47.0 398:43.0 399:18.0 400:35.0 401:34.0 404:63.0 405:29.0 406:56.0 408:35.0 409:46.0 412:11.0 413:26.0 414:46.0 415:46.0 416:16.0 417:56.0 418:13.0 419:56.0 420:38.0 421:36.0 422:44.0 423:14.0 424:34.0 427:51.0 428:30.0 429:19.0 430:40.0 431:26.0 432:18.0 433:52.0 434:43.0 438:47.0 439:18.0 440:55.0 441:31.0 442:38.0 444:29.0 445:50.0 447:38.0 453:23.0 455:18.0 456:37.0 457:37.0 458:16.0 460:24.0 462:22.0 466:27.0 470:25.0 471:40.0 473:28.0 474:22.0 475:24.0 476:16.0 478:42.0 480:28.0 482:22.0 487:36.0 490:40.0 493:32.0 495:19.0 497:31.0 498:16.0 500:40.0
butyrolactam NIST	277199	142	12025		2047	85:20.0 86:58.0 88:236.0 89:101.0 99:89.0 100:965.0 101:112.0 102:36.0 107:15.0 108:64.0 110:113.0 112:60.0 113:20.0 114:80.0 115:83.0 116:36.0 134:97.0 140:21.0 142:4184.0 143:458.0 144:89.0 155:31.0 156:217.0 157:779.0 158:23.0 173:153.0 184:27.0 185:7.0 199:33.0 213:132.0 302:10.0 306:2.0 314:3.0
bisphosphoglycerol NIST	764660	299	102018		27154	85:464.0 87:35.0 89:33.0 96:1005.0 97:67.0 98:32.0 99:267.0 101:1010.0 103:70.0 104:8.0 107:202.0 109:32.0 110:23.0 111:47.0 113:1310.0 117:382.0 121:245.0 122:132.0 123:293.0 125:18.0 126:397.0 128:203.0 129:82.0 131:69.0 133:2859.0 135:1396.0 137:473.0 138:7.0 139:6.0 140:93.0 143:9.0 146:1.0 147:201.0 148:26.0 151:394.0 152:1.0 153:1.0 154:64.0 155:65.0 156:287.0 157:19.0 160:3.0 165:21.0 167:82.0 170:17.0 179:59.0 180:7.0 181:855.0 182:1.0 183:457.0 185:1.0 189:27.0 191:8.0 193:717.0 195:1164.0 197:171.0 204:137.0 207:346.0 208:4.0 209:216.0 211:7335.0 212:976.0 213:510.0 216:8.0 217:544.0 218:19.0 219:9.0 225:1798.0 226:191.0 227:1256.0 228:75.0 229:3.0 230:48.0 231:19.0 232:50.0 233:8.0 234:29.0 236:6.0 237:396.0 238:79.0 239:160.0 240:11.0 241:338.0 242:16.0 243:976.0 244:86.0 245:8.0 246:274.0 247:9.0 249:2.0 250:6.0 253:319.0 255:162.0 256:36.0 257:1413.0 258:177.0 259:156.0 260:48.0 261:1.0 263:4.0 266:3.0 267:77.0 269:189.0 270:418.0 271:331.0 272:113.0 273:5.0 276:20.0 277:2.0 279:5.0 281:230.0 282:89.0 283:4718.0 284:956.0 285:1182.0 286:228.0 287:92.0 291:90.0 293:26.0 294:1.0 295:82.0 296:16.0 297:58.0 298:387.0 299:10270.0 300:2634.0 301:1595.0 302:143.0 304:4.0 305:1672.0 306:647.0 307:197.0 310:3.0 311:4.0 313:145.0 314:541.0 315:1810.0 316:461.0 317:187.0 318:129.0 319:45.0 320:1.0 321:2.0 322:143.0 324:6.0 325:2.0 327:28.0 328:611.0 329:127.0 330:108.0 331:2.0 335:10.0 336:66.0 337:63.0 339:68.0 340:60.0 341:303.0 342:264.0 343:160.0 344:34.0 345:17.0 346:1.0 347:10.0 349:20.0 350:14.0 351:9.0 352:66.0 354:48.0 355:448.0 356:214.0 357:3714.0 358:1112.0 359:486.0 360:164.0 361:39.0 362:6.0 363:18.0 364:34.0 365:22.0 366:1.0 367:26.0 368:7.0 369:11.0 370:402.0 371:786.0 372:244.0 373:329.0 374:73.0 375:8.0 378:4.0 383:1.0 386:38.0 387:652.0 388:200.0 389:36.0 390:1.0 394:19.0 396:26.0 397:3.0 409:13.0 411:3.0 416:2.0 417:125.0 418:106.0 419:27.0 420:24.0 421:14.0 425:4.0 426:3.0 430:11.0 437:40.0 439:13.0 450:58.0 451:297.0 452:131.0 453:93.0 455:1.0 460:14.0 461:31.0 489:19.0 497:21.0
beta-glycerolphosphate	574470	243	2526	C02979	22021	85:37.0 101:553.0 102:50.0 103:684.0 106:24.0 112:8.0 113:19.0 115:137.0 117:69.0 129:971.0 130:171.0 131:352.0 133:740.0 134:41.0 135:156.0 137:89.0 139:3.0 147:979.0 148:10.0 149:98.0 155:36.0 179:29.0 181:96.0 183:49.0 191:186.0 192:18.0 193:100.0 195:81.0 207:280.0 208:22.0 209:15.0 211:1590.0 212:184.0 213:144.0 217:86.0 218:77.0 225:19.0 227:200.0 228:29.0 234:34.0 243:1830.0 244:286.0 245:123.0 253:10.0 255:4.0 269:15.0 283:15.0 285:128.0 286:32.0 299:1137.0 300:307.0 301:149.0 302:2.0 315:191.0 316:52.0 317:16.0 321:4.0 342:30.0 357:6.0 373:62.0 374:2.0 389:79.0 390:28.0 445:57.0 446:11.0 447:5.0 471:3.0
beta-alanine	435564	248	239	C00099	148	85:228.0 86:3117.0 87:240.0 90:32.0 93:32.0 95:19.0 99:386.0 100:1891.0 101:337.0 102:313.0 103:237.0 104:118.0 107:63.0 113:116.0 114:91.0 117:236.0 119:17.0 120:39.0 129:105.0 130:635.0 133:1533.0 134:301.0 135:92.0 137:24.0 142:51.0 146:224.0 147:2196.0 148:431.0 160:346.0 161:56.0 162:41.0 164:29.0 168:16.0 170:19.0 172:67.0 173:3.0 174:3380.0 175:583.0 176:292.0 181:27.0 187:19.0 188:94.0 189:42.0 199:15.0 202:47.0 203:21.0 211:16.0 213:22.0 214:43.0 229:20.0 232:136.0 236:20.0 241:13.0 247:23.0 248:2136.0 249:543.0 250:246.0 251:76.0 258:17.0 265:23.0 275:23.0 276:29.0 277:36.0 279:16.0 283:18.0 289:40.0 290:263.0 291:86.0 292:32.0 297:15.0 298:13.0 301:35.0 305:16.0 306:25.0 315:7.0 323:19.0 330:21.0 333:18.0 334:20.0 335:16.0 341:16.0 346:20.0 357:35.0 366:27.0 371:15.0 390:21.0 403:18.0 406:21.0 408:12.0 421:22.0 427:25.0 442:16.0 450:29.0 458:21.0 460:14.0 464:27.0 466:21.0 475:17.0 476:24.0 480:16.0 486:22.0 488:15.0 491:19.0 492:12.0 495:22.0 499:29.0
benzoic acid	339067	179	243	C00180	36	86:343.0 87:342.0 88:702.0 89:324.0 90:144.0 91:469.0 93:84.0 95:73.0 98:224.0 101:459.0 102:419.0 103:2363.0 105:19922.0 106:1506.0 107:541.0 108:41.0 109:28.0 115:81.0 116:11012.0 117:1187.0 118:403.0 119:326.0 120:194.0 121:192.0 128:258.0 130:1267.0 131:785.0 132:5944.0 133:1178.0 134:622.0 135:12484.0 136:1522.0 137:356.0 139:52.0 144:953.0 146:581.0 149:399.0 158:68.0 159:237.0 160:66.0 161:45.0 163:48.0 167:18.0 169:14.0 178:46.0 179:11997.0 180:1513.0 181:445.0 182:55.0 184:37.0 188:108.0 193:73.0 194:797.0 195:74.0 219:190.0 234:165.0 237:19.0 255:24.0 270:29.0 271:17.0 286:14.0 287:14.0 289:27.0 291:17.0 292:21.0 297:17.0 298:13.0 320:16.0 324:22.0 329:13.0 330:27.0 347:33.0 350:16.0 390:23.0 396:23.0 399:21.0 402:25.0 409:21.0 433:19.0 443:28.0 445:12.0 447:16.0 460:17.0 462:12.0 478:20.0 486:23.0 492:29.0 497:16.0
aspartic acid	480387	232	5960	C00049	79	87:91.0 96:51.0 97:57.0 98:86.0 99:100.0 100:3071.0 101:325.0 102:140.0 103:85.0 115:76.0 117:579.0 118:67.0 129:72.0 130:177.0 132:82.0 133:399.0 134:83.0 142:92.0 147:1028.0 148:289.0 149:74.0 160:33.0 163:47.0 164:28.0 173:22.0 174:51.0 188:319.0 189:76.0 190:42.0 202:314.0 203:31.0 204:79.0 216:94.0 218:511.0 219:116.0 220:18.0 232:2572.0 233:417.0 234:183.0 235:21.0 267:39.0 291:15.0 306:42.0 315:14.0 316:15.0 335:36.0 344:20.0 365:13.0 379:16.0 408:22.0 482:15.0 485:20.0 494:14.0 497:35.0
asparagine	553078	188	6267	C00152	146	86:261.0 87:142.0 88:87.0 89:283.0 90:151.0 91:43.0 92:46.0 93:35.0 98:167.0 100:1725.0 101:112.0 102:22.0 104:36.0 107:43.0 108:48.0 109:43.0 111:105.0 112:77.0 113:62.0 114:223.0 115:405.0 116:5151.0 117:1014.0 118:309.0 119:90.0 120:36.0 125:136.0 126:95.0 128:266.0 130:448.0 131:829.0 132:2241.0 133:857.0 134:239.0 135:54.0 137:47.0 141:1377.0 142:341.0 143:178.0 144:126.0 145:46.0 146:126.0 147:2699.0 148:344.0 149:308.0 150:69.0 151:39.0 152:16.0 154:23.0 155:16.0 156:24.0 158:69.0 159:423.0 160:58.0 161:69.0 168:18.0 172:124.0 173:227.0 174:87.0 176:58.0 179:18.0 181:21.0 183:18.0 186:15.0 188:1132.0 189:241.0 190:194.0 191:45.0 192:24.0 198:17.0 199:60.0 200:23.0 201:66.0 202:375.0 203:114.0 204:161.0 205:169.0 206:99.0 207:59.0 209:21.0 210:18.0 211:17.0 213:86.0 214:72.0 215:185.0 216:111.0 217:148.0 218:371.0 219:63.0 220:25.0 223:25.0 224:22.0 227:27.0 228:20.0 229:33.0 230:32.0 231:1151.0 232:266.0 233:112.0 234:35.0 237:20.0 240:17.0 242:50.0 243:101.0 244:54.0 245:24.0 246:28.0 247:30.0 249:18.0 251:31.0 254:13.0 257:13.0 258:201.0 259:60.0 261:19.0 263:75.0 265:45.0 270:23.0 275:42.0 276:19.0 278:25.0 280:34.0 281:38.0 282:26.0 288:28.0 292:61.0 293:16.0 294:13.0 300:23.0 301:40.0 303:15.0 305:19.0 306:26.0 307:58.0 309:11.0 311:20.0 312:19.0 314:29.0 315:35.0 316:36.0 317:25.0 318:17.0 321:26.0 325:46.0 327:20.0 328:13.0 329:36.0 331:33.0 333:52.0 334:24.0 335:95.0 336:37.0 337:24.0 338:31.0 339:32.0 344:15.0 348:36.0 350:18.0 359:21.0 365:12.0 369:25.0 380:19.0 383:31.0 385:28.0 389:25.0 391:31.0 392:17.0 393:19.0 403:24.0 406:30.0 408:18.0 413:14.0 414:28.0 416:26.0 417:15.0 418:13.0 419:16.0 422:16.0 426:21.0 428:20.0 435:30.0 436:13.0 437:22.0 442:20.0 445:13.0 447:22.0 451:26.0 453:13.0 457:24.0 458:30.0 459:19.0 460:26.0 462:24.0 464:41.0 469:24.0 470:41.0 497:33.0 500:26.0
arachidonic acid	834339	91	444899	C00219	6529	85:397.0 86:104.0 87:64.0 89:105.0 90:43.0 91:4416.0 92:1216.0 93:2782.0 94:1158.0 95:941.0 96:496.0 97:213.0 98:69.0 99:155.0 100:26.0 101:139.0 102:52.0 103:160.0 104:234.0 105:1843.0 106:1764.0 107:979.0 108:197.0 109:348.0 110:119.0 111:47.0 112:6.0 113:53.0 114:46.0 115:358.0 116:598.0 117:2905.0 118:489.0 119:1172.0 120:880.0 121:800.0 122:154.0 123:154.0 124:66.0 125:11.0 128:134.0 129:1503.0 130:371.0 131:1159.0 132:501.0 133:1103.0 134:337.0 135:386.0 136:136.0 137:43.0 139:53.0 140:38.0 141:160.0 142:156.0 143:220.0 144:187.0 145:645.0 146:235.0 147:136.0 148:78.0 149:122.0 150:537.0 151:70.0 153:4.0 154:17.0 155:92.0 157:326.0 158:257.0 159:257.0 160:128.0 161:262.0 162:153.0 163:36.0 164:85.0 165:8.0 166:10.0 167:13.0 168:43.0 169:161.0 170:19.0 171:260.0 172:15.0 173:185.0 174:60.0 175:293.0 176:125.0 177:106.0 178:22.0 181:24.0 182:17.0 183:114.0 185:58.0 187:150.0 188:68.0 189:78.0 190:56.0 193:1.0 196:9.0 197:63.0 201:121.0 203:100.0 204:39.0 207:15.0 211:42.0 215:50.0 216:30.0 217:21.0 222:18.0 238:56.0 239:20.0 240:7.0 258:121.0 259:43.0 272:29.0 278:3.0 279:3.0 281:1.0 305:18.0 308:15.0 315:5.0 322:6.0 326:13.0 327:3.0 330:1.0 346:1.0 359:2.0 367:1.0 401:4.0 467:7.0
arachidic acid	856421	117	10467	C06425	291	85:167.0 89:444.0 90:10.0 92:58.0 93:400.0 94:80.0 95:656.0 98:494.0 99:384.0 100:46.0 102:86.0 105:51.0 107:116.0 110:60.0 111:101.0 113:12.0 115:21.0 116:933.0 117:16860.0 118:1459.0 119:650.0 120:71.0 125:117.0 128:67.0 129:7682.0 130:803.0 132:6486.0 133:1341.0 134:343.0 135:92.0 137:72.0 138:29.0 140:58.0 141:48.0 143:611.0 144:144.0 145:3932.0 146:417.0 157:65.0 159:172.0 160:80.0 161:46.0 164:44.0 168:34.0 171:218.0 172:32.0 174:54.0 185:81.0 199:101.0 201:667.0 202:5.0 208:42.0 213:60.0 217:11.0 225:24.0 227:130.0 229:24.0 243:65.0 246:23.0 262:12.0 269:7.0 272:45.0 278:21.0 280:15.0 285:59.0 297:34.0 312:18.0 317:15.0 325:29.0 326:62.0 336:17.0 341:67.0 369:769.0 370:279.0 371:22.0
aminomalonate	455754	218	100714	C00872	413	86:2942.0 88:141.0 89:112.0 91:83.0 95:21.0 96:52.0 99:117.0 100:1404.0 101:500.0 102:258.0 103:262.0 105:161.0 113:119.0 114:63.0 115:110.0 116:295.0 117:454.0 119:188.0 120:63.0 121:40.0 122:45.0 131:1530.0 132:103.0 133:2100.0 134:376.0 143:19.0 144:92.0 147:5888.0 148:433.0 149:305.0 152:37.0 154:11.0 158:171.0 160:45.0 161:81.0 164:29.0 167:17.0 173:76.0 174:1023.0 175:272.0 176:72.0 178:67.0 184:42.0 188:48.0 204:78.0 205:64.0 211:13.0 213:29.0 218:2826.0 219:556.0 220:208.0 221:31.0 224:31.0 229:15.0 231:22.0 237:16.0 240:7.0 248:256.0 249:114.0 250:61.0 256:21.0 257:46.0 259:31.0 260:6.0 261:16.0 263:24.0 265:54.0 266:30.0 268:16.0 270:38.0 275:9.0 276:83.0 277:42.0 283:37.0 288:12.0 290:10.0 291:27.0 292:411.0 293:171.0 294:35.0 298:33.0 305:24.0 307:55.0 320:685.0 321:241.0 324:12.0 325:14.0 326:17.0 328:29.0 331:20.0 335:38.0 345:15.0 350:18.0 354:21.0 365:13.0 366:45.0 368:34.0 373:17.0 382:11.0 390:43.0 398:28.0 415:20.0 422:14.0 431:12.0 432:28.0 441:23.0 446:19.0 448:13.0 453:13.0 465:17.0 467:30.0 472:13.0 477:58.0
alpha-ketoglutarate	507392	198	51	C00026	294	85:208.0 87:154.0 89:4657.0 90:84.0 91:201.0 94:49.0 98:155.0 99:133.0 101:112.0 102:113.0 103:234.0 110:90.0 112:1654.0 113:180.0 114:75.0 115:296.0 118:19.0 125:56.0 126:615.0 128:246.0 129:323.0 131:331.0 133:422.0 135:87.0 142:51.0 143:95.0 144:23.0 145:67.0 147:7768.0 148:1161.0 149:693.0 152:14.0 154:243.0 155:35.0 156:3139.0 157:398.0 158:205.0 159:36.0 160:14.0 161:16.0 163:100.0 170:1125.0 171:173.0 172:311.0 173:128.0 174:90.0 175:31.0 182:102.0 183:89.0 184:104.0 185:35.0 186:1020.0 187:139.0 190:35.0 198:3239.0 199:335.0 200:204.0 201:209.0 202:664.0 203:43.0 204:45.0 206:13.0 214:29.0 229:539.0 230:93.0 268:20.0 272:44.0 273:25.0 288:551.0 289:122.0 304:395.0 305:40.0 306:19.0 450:18.0 458:20.0
alpha-aminoadipic acid	573295	260	92136	C00956	125502	85:5171.0 86:2872.0 87:1853.0 88:805.0 89:1528.0 90:266.0 91:249.0 92:126.0 93:125.0 94:122.0 95:131.0 96:1290.0 97:581.0 98:6263.0 99:3004.0 100:22245.0 101:4204.0 102:2216.0 103:6429.0 104:717.0 105:691.0 106:54.0 107:157.0 108:1397.0 109:428.0 110:436.0 111:454.0 112:1270.0 113:1070.0 114:2235.0 115:12931.0 116:5935.0 117:5889.0 118:1058.0 119:1156.0 120:208.0 122:78.0 123:104.0 124:144.0 125:179.0 126:937.0 127:557.0 128:31549.0 129:30721.0 130:6109.0 131:8806.0 132:3177.0 133:8926.0 134:1583.0 135:853.0 136:143.0 137:108.0 138:335.0 139:247.0 140:389.0 141:417.0 142:1245.0 143:1149.0 144:608.0 145:1036.0 146:530.0 147:27436.0 148:4964.0 149:5016.0 150:646.0 151:380.0 152:393.0 153:184.0 154:4064.0 155:1122.0 156:1304.0 157:503.0 158:518.0 159:432.0 160:371.0 161:299.0 162:62.0 163:1222.0 164:226.0 165:101.0 168:379.0 169:185.0 170:5037.0 171:939.0 172:1788.0 173:588.0 174:1444.0 175:415.0 176:206.0 177:230.0 178:39.0 180:118.0 182:1359.0 183:309.0 184:164.0 186:171.0 187:125.0 188:1005.0 189:837.0 190:389.0 191:648.0 192:113.0 193:131.0 195:68.0 196:103.0 198:72.0 199:85.0 200:232.0 201:86.0 202:855.0 203:2392.0 204:1099.0 205:2197.0 206:518.0 207:380.0 212:122.0 213:28.0 214:69.0 215:204.0 216:527.0 217:33533.0 218:10537.0 219:3896.0 220:810.0 221:980.0 222:241.0 226:118.0 228:951.0 229:192.0 230:237.0 231:162.0 232:178.0 233:93.0 235:84.0 236:78.0 237:90.0 238:133.0 239:135.0 240:147.0 241:92.0 242:190.0 243:328.0 244:7338.0 245:1748.0 246:767.0 247:236.0 248:68.0 249:88.0 250:65.0 251:26.0 254:93.0 255:43.0 256:72.0 258:92.0 259:513.0 260:36204.0 261:8808.0 262:3440.0 263:592.0 264:96.0 271:45.0 272:2405.0 273:672.0 274:278.0 276:21.0 277:88.0 278:43.0 279:61.0 286:81.0 287:148.0 288:533.0 289:228.0 290:114.0 291:622.0 292:210.0 293:128.0 301:59.0 307:241.0 308:91.0 319:259.0 320:103.0 321:68.0 329:23.0 333:39.0 334:390.0 335:141.0 336:76.0 345:40.0 361:198.0 362:1308.0 363:600.0 364:269.0 365:52.0 376:88.0 377:651.0 378:257.0 379:138.0 380:70.0 397:33.0 458:53.0 472:15.0 494:19.0
alloxanoic acid NIST	584472	331	94146		5488	85:90.0 86:216.0 88:12.0 90:29.0 91:60.0 92:647.0 93:31.0 98:94.0 99:71.0 100:928.0 101:142.0 103:181.0 105:46.0 106:30.0 107:34.0 110:73.0 114:97.0 115:268.0 116:505.0 117:248.0 118:33.0 120:196.0 128:88.0 130:65.0 131:771.0 132:188.0 133:599.0 134:186.0 136:10.0 140:42.0 141:51.0 142:42.0 143:25.0 144:271.0 145:19.0 147:2447.0 148:355.0 149:217.0 150:54.0 152:12.0 153:35.0 154:1.0 156:107.0 157:65.0 158:275.0 159:61.0 160:49.0 161:17.0 170:36.0 171:33.0 172:841.0 173:236.0 174:411.0 175:25.0 176:68.0 177:51.0 178:6.0 184:48.0 187:29.0 188:510.0 189:209.0 190:35.0 191:28.0 192:37.0 193:7.0 198:2.0 200:57.0 201:1.0 202:16.0 203:23.0 204:127.0 212:15.0 216:20.0 218:9.0 224:26.0 225:10.0 227:5.0 231:29.0 232:369.0 233:52.0 234:18.0 242:10.0 243:92.0 244:6.0 246:90.0 256:8.0 259:13.0 262:10.0 269:98.0 275:2.0 276:46.0 277:17.0 288:11.0 298:30.0 303:188.0 304:2.0 305:22.0 306:106.0 307:31.0 308:4.0 312:12.0 317:3.0 320:6.0 330:45.0 331:1466.0 332:526.0 333:242.0 334:44.0 350:10.0 353:1.0 357:4.0 371:19.0 378:59.0 404:38.0 405:64.0 406:12.0 407:1.0 408:7.0 411:8.0 419:7.0 433:29.0 436:13.0 446:4.0 448:8.0 464:10.0 484:1.0 487:13.0
alanine	244189	116	5950	C00041	2	85:3158.0 86:13644.0 87:4068.0 88:3439.0 89:983.0 90:196.0 91:253.0 93:372.0 94:6680.0 95:665.0 97:207.0 98:1020.0 99:805.0 100:24444.0 101:7141.0 102:7827.0 103:18348.0 104:1762.0 105:2019.0 107:860.0 110:602.0 112:751.0 113:917.0 114:4190.0 115:4871.0 116:395401.0 117:48488.0 118:16494.0 119:2692.0 120:172.0 127:1339.0 128:5915.0 129:862.0 130:2771.0 131:6829.0 132:2965.0 133:10359.0 134:1720.0 135:1132.0 136:81.0 142:62.0 143:39.0 144:1251.0 145:101.0 146:927.0 147:78930.0 148:12646.0 149:6222.0 150:478.0 151:105.0 158:147.0 160:155.0 161:51.0 167:26.0 172:139.0 174:823.0 175:285.0 176:139.0 178:14.0 188:186.0 190:14341.0 191:3102.0 192:1175.0 193:187.0 199:27.0 200:71.0 203:85.0 216:93.0 218:3500.0 219:651.0 220:269.0 223:21.0 229:19.0 230:13.0 232:73.0 233:81.0 234:29.0 242:26.0 261:24.0 271:29.0 277:32.0 282:19.0 288:15.0 301:22.0 303:30.0 304:32.0 308:16.0 318:26.0 319:31.0 328:24.0 334:37.0 338:19.0 340:31.0 342:29.0 343:17.0 355:18.0 359:33.0 360:27.0 366:25.0 367:47.0 370:28.0 373:46.0 376:15.0 386:28.0 387:21.0 388:33.0 391:42.0 396:20.0 398:12.0 399:25.0 404:33.0 410:40.0 413:31.0 415:13.0 416:30.0 418:30.0 420:30.0 422:42.0 423:18.0 425:19.0 427:22.0 432:36.0 434:48.0 446:16.0 447:34.0 449:29.0 451:15.0 461:22.0 463:16.0 464:21.0 471:24.0 495:27.0 498:30.0
adipic acid	474435	111	196	C06104	125	85:2037.0 86:2852.0 87:703.0 88:641.0 89:904.0 90:27.0 91:64.0 92:167.0 93:122.0 94:58.0 95:60.0 96:79.0 97:441.0 99:4029.0 100:405.0 101:502.0 102:524.0 105:259.0 107:59.0 108:26.0 109:187.0 110:362.0 111:58622.0 112:3744.0 113:1086.0 114:171.0 115:1351.0 116:2824.0 117:11244.0 118:1055.0 119:703.0 120:50.0 123:10.0 124:19.0 125:208.0 126:57.0 128:229.0 129:9390.0 130:2687.0 131:1989.0 132:910.0 133:3866.0 134:574.0 135:363.0 136:36.0 137:28.0 139:134.0 140:91.0 141:22408.0 142:2976.0 143:1671.0 144:12.0 145:426.0 146:254.0 147:25012.0 148:3888.0 149:5613.0 150:383.0 151:303.0 152:35.0 154:141.0 155:180.0 157:2340.0 158:564.0 159:5456.0 160:659.0 161:232.0 162:24.0 163:64.0 164:48.0 166:40.0 167:18.0 170:81.0 171:29.0 172:8835.0 173:1327.0 174:429.0 175:115.0 177:33.0 181:23.0 183:89.0 184:59.0 185:7436.0 186:765.0 187:338.0 188:18.0 189:114.0 191:28.0 197:13.0 198:23.0 199:48.0 200:825.0 201:305.0 202:94.0 203:216.0 204:1408.0 205:327.0 206:103.0 207:55.0 211:18.0 213:19.0 215:387.0 216:72.0 217:1764.0 218:417.0 219:176.0 220:55.0 222:21.0 225:9.0 226:21.0 228:29.0 229:113.0 230:49.0 231:404.0 232:97.0 234:22.0 235:18.0 236:13.0 237:39.0 240:33.0 242:13.0 243:27.0 245:35.0 246:12.0 247:307.0 248:117.0 249:47.0 250:36.0 251:46.0 252:14.0 253:31.0 254:29.0 255:16.0 259:33.0 261:61.0 262:34.0 263:32.0 264:19.0 272:17.0 273:20.0 274:40.0 275:3283.0 276:745.0 278:61.0 284:31.0 286:15.0 288:16.0 290:49.0 291:28.0 292:40.0 297:26.0 298:39.0 304:22.0 307:23.0 310:16.0 314:31.0 315:21.0 316:32.0 318:37.0 321:28.0 322:22.0 323:26.0 324:33.0 325:17.0 327:23.0 328:36.0 329:33.0 330:27.0 332:22.0 333:26.0 335:32.0 336:29.0 342:11.0 343:15.0 345:14.0 348:24.0 349:20.0 350:32.0 354:29.0 359:37.0 361:17.0 363:13.0 364:26.0 365:35.0 369:24.0 373:26.0 374:22.0 375:13.0 377:43.0 380:30.0 382:15.0 387:26.0 389:23.0 391:38.0 392:15.0 393:42.0 398:31.0 400:17.0 406:24.0 407:18.0 408:33.0 411:29.0 413:39.0 417:38.0 421:20.0 423:28.0 424:17.0 426:34.0 427:20.0 428:20.0 430:18.0 432:15.0 435:15.0 436:12.0 437:36.0 438:25.0 439:30.0 441:14.0 444:42.0 446:28.0 448:19.0 450:25.0 455:27.0 456:32.0 458:27.0 460:28.0 461:19.0 462:27.0 465:14.0 467:38.0 468:29.0 470:25.0 472:17.0 474:10.0 475:20.0 476:36.0 478:18.0 483:35.0 484:30.0 485:36.0 486:15.0 488:31.0 490:28.0 492:37.0 493:26.0 494:18.0 495:44.0 496:28.0 497:23.0 499:33.0
adenosine-5-monophosphate	1041375	315	6083	C00020	26719	85:696.0 86:186.0 91:22.0 93:9.0 94:366.0 95:1191.0 97:483.0 98:151.0 99:737.0 101:1386.0 102:66.0 106:322.0 107:85.0 108:1903.0 109:373.0 111:385.0 112:345.0 113:986.0 114:85.0 115:885.0 116:368.0 119:38.0 120:49.0 121:622.0 123:185.0 125:488.0 126:42.0 127:526.0 129:4373.0 130:530.0 131:161.0 133:3619.0 134:404.0 135:4104.0 136:4066.0 137:529.0 138:164.0 139:179.0 140:1369.0 141:702.0 142:982.0 143:863.0 144:59.0 147:6219.0 148:1405.0 149:984.0 150:423.0 151:558.0 153:642.0 154:101.0 158:50.0 159:48.0 160:193.0 162:39.0 164:1615.0 165:562.0 167:201.0 168:62.0 169:24170.0 170:3114.0 171:2369.0 172:212.0 173:249.0 174:161.0 176:179.0 177:183.0 178:96.0 179:106.0 180:123.0 181:756.0 182:138.0 183:428.0 184:305.0 185:60.0 186:385.0 188:36.0 189:61.0 191:123.0 192:936.0 193:490.0 194:161.0 195:814.0 196:176.0 197:404.0 198:73.0 200:31.0 201:130.0 202:55.0 204:533.0 205:258.0 206:806.0 207:367.0 208:1403.0 209:309.0 210:101.0 211:4426.0 212:586.0 213:479.0 214:410.0 215:828.0 216:206.0 217:1332.0 218:335.0 219:94.0 220:95.0 221:2.0 223:17.0 224:7.0 225:877.0 226:100.0 227:975.0 228:46.0 229:90.0 230:5539.0 231:1669.0 232:687.0 233:140.0 234:725.0 235:122.0 236:193.0 237:58.0 238:80.0 240:131.0 241:82.0 242:44.0 243:3154.0 244:706.0 245:312.0 246:17.0 248:266.0 249:54.0 250:755.0 251:136.0 252:80.0 253:374.0 254:125.0 255:77.0 257:111.0 258:2969.0 259:780.0 260:425.0 261:126.0 262:339.0 263:222.0 264:164.0 265:1068.0 266:278.0 267:62.0 268:122.0 269:119.0 270:43.0 271:165.0 272:8.0 275:128.0 276:55.0 277:37.0 278:4.0 279:73.0 281:207.0 282:18.0 283:142.0 284:44.0 285:306.0 286:52.0 287:48.0 288:76.0 290:64.0 291:63.0 292:11.0 294:35.0 295:12.0 297:26.0 298:112.0 299:3521.0 300:1044.0 301:492.0 302:241.0 303:209.0 304:530.0 305:182.0 306:307.0 307:65.0 308:48.0 309:45.0 310:156.0 311:180.0 312:158.0 313:117.0 314:296.0 315:9442.0 316:2613.0 317:1237.0 318:262.0 319:188.0 320:109.0 321:75.0 322:1.0 324:9.0 325:50.0 327:141.0 328:73.0 329:51.0 330:12.0 331:16.0 333:47.0 334:56.0 335:26.0 336:41.0 337:80.0 338:45.0 342:43.0 343:64.0 344:20.0 345:20.0 351:59.0 352:46.0 354:6.0 355:128.0 356:16.0 357:33.0 359:85.0 361:206.0 362:138.0 363:37.0 367:73.0 368:19.0 369:41.0 370:5.0 371:360.0 372:124.0 373:100.0 374:3.0 376:5.0 377:19.0 378:111.0 380:37.0 381:35.0 382:789.0 383:353.0 384:112.0 385:55.0 387:66.0 388:23.0 391:21.0 393:126.0 394:733.0 395:313.0 396:95.0 397:23.0 400:8.0 401:68.0 402:28.0 404:25.0 407:27.0 408:31.0 409:104.0 410:46.0 411:67.0 412:65.0 415:34.0 416:41.0 417:1.0 418:15.0 419:10.0 423:5.0 426:5.0 429:89.0 438:10.0 444:17.0 445:5.0 446:27.0 447:22.0 449:3.0 451:21.0 455:2.0 460:50.0 463:46.0 465:1.0 472:19.0 474:12.0 478:8.0 480:21.0 486:2.0 489:18.0 492:16.0 497:5.0
adenosine	918039	236	60961	C00212	290	85:353.0 86:112.0 89:208.0 95:41.0 98:54.0 99:460.0 100:35.0 101:439.0 102:88.0 103:2553.0 104:236.0 105:110.0 109:159.0 111:217.0 113:236.0 115:473.0 116:284.0 117:469.0 119:106.0 120:28.0 126:71.0 129:719.0 130:43.0 131:300.0 132:124.0 133:869.0 134:103.0 135:182.0 136:60.0 137:23.0 138:121.0 139:38.0 142:46.0 143:329.0 144:32.0 145:58.0 147:1456.0 148:317.0 149:320.0 151:23.0 153:75.0 155:49.0 157:111.0 158:65.0 159:46.0 161:36.0 163:32.0 164:65.0 165:357.0 166:35.0 167:26.0 169:461.0 170:40.0 172:18.0 176:112.0 181:43.0 189:137.0 191:65.0 192:1613.0 193:207.0 204:44.0 206:352.0 207:149.0 208:920.0 209:168.0 210:27.0 217:1389.0 218:314.0 219:95.0 220:42.0 229:41.0 230:3166.0 231:750.0 232:335.0 236:3623.0 237:456.0 238:57.0 243:536.0 244:93.0 245:1467.0 246:353.0 247:72.0 248:32.0 258:110.0 259:221.0 260:57.0 264:155.0 265:52.0 278:42.0 279:85.0 280:312.0 281:57.0 293:25.0 294:12.0 296:16.0 306:174.0 320:51.0 321:27.0 322:106.0 324:30.0 334:84.0 346:24.0 348:71.0
adenine	646534	264	190	C00147	1764	85:258.0 92:26.0 93:169.0 98:13.0 99:241.0 100:98.0 102:99.0 104:48.0 110:149.0 111:262.0 112:6.0 116:64.0 122:1.0 124:60.0 126:21.0 129:21.0 130:276.0 137:10.0 138:43.0 139:12.0 144:218.0 148:39.0 149:1110.0 150:48.0 152:17.0 153:364.0 157:26.0 158:2.0 160:15.0 162:52.0 164:56.0 165:208.0 166:57.0 167:27.0 180:42.0 192:582.0 202:3.0 205:36.0 206:131.0 219:65.0 221:9.0 223:14.0 225:69.0 226:52.0 235:9.0 237:68.0 238:3.0 255:145.0 264:2576.0 265:565.0 266:248.0 278:7.0 279:415.0 280:50.0 282:57.0 292:9.0 293:27.0 309:145.0 425:12.0 447:1.0 470:29.0 481:9.0
aconitic acid	586815	229	643757	C00417	29	85:823.0 86:194.0 87:662.0 88:337.0 89:711.0 90:119.0 91:200.0 93:1018.0 94:224.0 95:1683.0 96:1733.0 97:6038.0 98:1174.0 99:1242.0 100:178.0 101:600.0 102:310.0 103:1548.0 104:242.0 105:655.0 107:259.0 108:172.0 109:241.0 110:546.0 111:911.0 112:674.0 113:694.0 115:1207.0 116:392.0 117:2280.0 118:273.0 119:1093.0 120:174.0 121:326.0 122:39.0 123:487.0 124:76.0 125:294.0 126:191.0 127:456.0 128:263.0 129:304.0 130:82.0 131:2456.0 132:433.0 133:12641.0 134:1547.0 135:1441.0 136:68.0 137:131.0 138:116.0 139:600.0 140:589.0 141:1958.0 142:188.0 143:858.0 144:141.0 145:165.0 146:30.0 147:68394.0 148:11613.0 149:12191.0 150:1479.0 151:543.0 152:95.0 154:177.0 155:698.0 156:491.0 157:1087.0 158:217.0 159:340.0 160:96.0 161:209.0 163:232.0 164:59.0 166:51.0 168:110.0 169:1152.0 170:278.0 171:563.0 172:174.0 173:223.0 174:29.0 175:113.0 176:36.0 177:524.0 178:117.0 179:97.0 180:39.0 182:241.0 183:650.0 184:1346.0 185:635.0 186:162.0 187:140.0 188:22.0 189:104.0 190:60.0 191:337.0 192:70.0 193:152.0 195:168.0 196:85.0 197:103.0 198:55.0 199:337.0 200:173.0 201:311.0 202:135.0 203:90.0 204:99.0 205:87.0 206:80.0 207:390.0 208:123.0 210:36.0 211:12535.0 212:1859.0 213:1080.0 214:289.0 215:5405.0 216:954.0 217:445.0 218:50.0 220:30.0 221:762.0 222:212.0 223:32.0 224:36.0 226:40.0 227:34.0 228:645.0 229:16572.0 230:3226.0 231:1403.0 232:208.0 233:41.0 236:38.0 237:26.0 239:42.0 240:42.0 241:84.0 242:57.0 243:239.0 245:375.0 246:93.0 248:41.0 252:30.0 253:28.0 254:37.0 255:48.0 256:268.0 257:983.0 258:264.0 259:335.0 260:89.0 263:47.0 265:50.0 268:45.0 270:20.0 271:53.0 272:697.0 273:455.0 274:62.0 275:105.0 278:53.0 284:97.0 285:4739.0 286:1085.0 287:966.0 288:254.0 289:118.0 291:52.0 292:28.0 293:30.0 294:29.0 295:47.0 296:28.0 297:35.0 298:27.0 300:778.0 301:231.0 302:136.0 303:364.0 304:149.0 305:28.0 306:58.0 307:36.0 308:19.0 310:41.0 311:38.0 312:52.0 313:29.0 314:22.0 316:32.0 317:53.0 318:44.0 323:34.0 324:22.0 327:39.0 328:51.0 330:85.0 331:69.0 332:44.0 333:92.0 337:36.0 338:51.0 339:31.0 340:34.0 342:33.0 344:59.0 346:533.0 347:88.0 348:80.0 349:54.0 351:45.0 353:45.0 356:24.0 359:39.0 360:23.0 364:32.0 366:23.0 370:12.0 371:29.0 374:261.0 375:3283.0 376:1199.0 377:532.0 378:147.0 379:88.0 380:60.0 381:50.0 383:60.0 386:48.0 391:63.0 392:31.0 394:35.0 397:36.0 398:50.0 399:15.0 400:39.0 402:27.0 403:20.0 404:55.0 405:27.0 408:39.0 410:25.0 414:19.0 415:50.0 416:36.0 417:27.0 419:31.0 420:12.0 422:26.0 425:38.0 426:34.0 427:43.0 429:25.0 430:48.0 431:21.0 432:50.0 433:21.0 434:53.0 435:17.0 437:21.0 438:51.0 439:35.0 440:37.0 443:31.0 444:35.0 445:62.0 446:40.0 448:28.0 451:37.0 452:27.0 453:51.0 455:36.0 456:47.0 458:23.0 459:33.0 460:25.0 462:40.0 463:20.0 465:53.0 467:31.0 468:24.0 469:53.0 471:36.0 472:20.0 473:30.0 474:23.0 475:30.0 476:35.0 477:39.0 481:40.0 482:48.0 485:25.0 487:25.0 489:38.0 490:20.0 491:33.0 493:18.0 494:18.0 497:19.0 499:30.0 500:27.0
5-methoxytryptamine	864466	174	1833	C05659	284	86:1203.0 87:181.0 88:92.0 90:42.0 92:34.0 95:29.0 100:628.0 101:65.0 102:70.0 105:49.0 110:34.0 112:50.0 115:39.0 117:67.0 118:56.0 121:41.0 124:29.0 130:92.0 131:54.0 132:79.0 135:54.0 150:31.0 155:19.0 158:46.0 159:57.0 172:30.0 174:4979.0 175:869.0 176:366.0 202:87.0 204:33.0 205:32.0 206:13.0 211:21.0 212:12.0 217:34.0 218:39.0 222:50.0 223:29.0 225:17.0 228:24.0 231:36.0 233:36.0 235:29.0 240:7.0 244:38.0 246:20.0 260:95.0 261:44.0 267:15.0 270:27.0 272:50.0 274:24.0 276:36.0 278:15.0 280:17.0 283:31.0 289:34.0 290:113.0 291:28.0 296:43.0 298:23.0 302:42.0 312:38.0 316:31.0 321:30.0 324:32.0 325:60.0 332:26.0 338:33.0 340:19.0 344:30.0 345:47.0 348:48.0 352:31.0 353:35.0 354:20.0 355:65.0 356:13.0 359:32.0 361:66.0 366:25.0 369:53.0 374:38.0 376:22.0 378:53.0 379:20.0 382:25.0 383:25.0 384:20.0 385:41.0 388:19.0 392:13.0 399:22.0 402:23.0 403:53.0 407:44.0 412:30.0 414:29.0 419:40.0 421:63.0 422:43.0 427:48.0 428:38.0 433:19.0 434:39.0 436:29.0 437:34.0 438:32.0 449:77.0 451:20.0 453:17.0 454:36.0 457:28.0 459:33.0 462:28.0 466:19.0 467:28.0 468:34.0 480:20.0 481:21.0 482:35.0 488:44.0 491:37.0 500:34.0
5'-deoxy-5'-methylthioadenosine	967036	236	439176	C00170	21821	85:99.0 86:132.0 94:26.0 96:62.0 99:123.0 100:70.0 101:24.0 105:120.0 111:44.0 112:105.0 113:82.0 114:27.0 115:34.0 121:46.0 122:14.0 123:36.0 126:141.0 129:197.0 130:26.0 134:23.0 137:43.0 138:17.0 141:16.0 142:14.0 143:9.0 145:27.0 147:46.0 149:28.0 151:2.0 155:2.0 157:5.0 162:54.0 163:36.0 164:9.0 165:196.0 167:14.0 169:374.0 170:80.0 171:39.0 173:30.0 175:661.0 176:140.0 177:69.0 179:27.0 185:14.0 188:879.0 189:163.0 190:69.0 191:115.0 192:416.0 193:4.0 195:38.0 203:29.0 204:24.0 206:71.0 207:218.0 208:208.0 209:62.0 210:7.0 211:34.0 217:27.0 218:6.0 223:42.0 227:14.0 230:20.0 234:8.0 236:1235.0 237:221.0 238:8.0 241:12.0 245:58.0 246:10.0 249:71.0 251:23.0 254:19.0 257:6.0 266:12.0 274:15.0 277:2.0 278:6.0 281:58.0 283:29.0 288:12.0 291:3.0 292:1.0 295:10.0 298:11.0 299:10.0 321:10.0 327:34.0 328:31.0 341:25.0 342:1.0 346:2.0 351:5.0 360:1.0 363:17.0 365:3.0 373:10.0 375:7.0 376:2.0 389:9.0 401:3.0 406:26.0 414:16.0 416:1.0 427:14.0 429:6.0 430:3.0 439:12.0 447:19.0 451:18.0 452:7.0 454:9.0 455:10.0 457:13.0 475:8.0 487:1.0 488:6.0 491:13.0 492:8.0 493:5.0 494:28.0 498:10.0 500:28.0
5-aminovaleric acid	536657	174	138	C00431	1698	85:189.0 86:2159.0 87:251.0 97:75.0 98:42.0 99:58.0 100:1189.0 101:180.0 102:422.0 107:116.0 109:25.0 112:223.0 114:52.0 115:46.0 116:194.0 117:280.0 123:29.0 125:1.0 126:134.0 128:21.0 129:828.0 130:249.0 131:289.0 132:190.0 133:45.0 135:16.0 146:99.0 148:253.0 152:19.0 154:184.0 156:230.0 157:40.0 158:71.0 160:40.0 170:64.0 172:165.0 174:8981.0 175:1547.0 176:642.0 177:54.0 186:31.0 188:42.0 192:384.0 193:33.0 195:1.0 198:27.0 200:625.0 201:121.0 202:86.0 218:6.0 219:369.0 220:128.0 221:13.0 226:6.0 228:130.0 230:59.0 232:4.0 241:35.0 244:82.0 260:20.0 272:53.0 275:35.0 312:6.0 318:150.0 319:46.0 320:50.0 325:6.0 355:3.0 358:2.0 383:6.0 389:15.0 399:1.0 407:18.0 415:3.0 425:3.0 439:16.0 491:2.0
4-hydroxybutyric acid	325027	233	10413	C00989	85123	85:1473.0 86:1030.0 88:1141.0 90:78.0 97:88.0 99:1509.0 100:534.0 101:1470.0 102:152.0 103:1274.0 104:135.0 105:287.0 109:555.0 110:127.0 111:131.0 113:83.0 115:915.0 116:653.0 117:10011.0 118:922.0 119:717.0 129:821.0 130:174.0 131:930.0 132:466.0 133:1873.0 134:148.0 143:2878.0 144:298.0 147:42121.0 148:6583.0 149:3200.0 150:406.0 151:85.0 157:102.0 187:41.0 192:99.0 204:836.0 205:197.0 222:17.0 233:4427.0 234:653.0 235:99.0 240:17.0 253:16.0 282:37.0 304:23.0 307:32.0 340:19.0 350:18.0 403:16.0 411:20.0 431:18.0 459:15.0 463:24.0 494:12.0 498:19.0
4-aminobutyric acid	488730	304	119	C00334	1842	85:2931.0 86:36127.0 88:1868.0 89:824.0 90:367.0 91:21.0 92:27.0 93:383.0 94:61.0 95:474.0 96:289.0 97:896.0 98:1926.0 99:2673.0 100:23284.0 101:4921.0 102:4701.0 103:1487.0 104:675.0 105:715.0 106:24.0 107:184.0 108:203.0 109:406.0 110:716.0 111:335.0 112:2089.0 113:1884.0 114:3527.0 115:3212.0 116:3300.0 117:5040.0 118:1020.0 119:1376.0 120:195.0 121:54.0 122:39.0 123:55.0 124:233.0 125:201.0 126:695.0 127:750.0 128:1904.0 129:2479.0 130:8748.0 131:8086.0 132:2534.0 133:10377.0 134:1719.0 135:870.0 136:287.0 137:75.0 138:111.0 139:163.0 140:2627.0 141:840.0 142:9851.0 143:11539.0 144:2963.0 145:1333.0 146:4278.0 147:64119.0 148:10687.0 149:6221.0 150:736.0 151:258.0 152:20.0 153:184.0 154:376.0 155:175.0 157:599.0 158:3264.0 159:640.0 160:649.0 161:355.0 162:92.0 164:120.0 165:15.0 166:19.0 168:48.0 169:168.0 170:650.0 171:1117.0 172:5187.0 173:1311.0 174:125497.0 175:23155.0 176:10451.0 177:1324.0 178:203.0 180:107.0 182:126.0 183:582.0 184:249.0 185:169.0 186:1005.0 187:500.0 188:204.0 189:23.0 190:114.0 191:158.0 192:46.0 193:38.0 195:38.0 198:129.0 199:12.0 200:757.0 201:218.0 202:70.0 203:55.0 204:346.0 205:112.0 206:143.0 207:132.0 208:32.0 209:45.0 211:62.0 212:18.0 213:85.0 214:2330.0 215:446.0 216:8413.0 217:1722.0 218:833.0 219:855.0 220:154.0 221:494.0 222:331.0 223:139.0 224:65.0 225:52.0 226:139.0 228:142.0 229:5.0 230:674.0 231:271.0 232:431.0 234:73.0 235:7.0 236:154.0 237:484.0 238:156.0 239:41.0 241:7.0 242:12.0 244:81.0 246:3528.0 247:734.0 248:332.0 249:37.0 250:7.0 252:51.0 254:11.0 256:13.0 264:45.0 268:57.0 273:3.0 275:67.0 276:215.0 278:14.0 279:44.0 281:6.0 283:102.0 288:175.0 289:6.0 294:65.0 295:66.0 297:31.0 299:116.0 300:61.0 302:34.0 303:76.0 304:15710.0 305:4628.0 306:2240.0 307:385.0 308:148.0 314:97.0 318:5.0 323:19.0 325:31.0 326:4.0 341:50.0 342:25.0 343:26.0 345:2.0 351:61.0 352:28.0 355:53.0 371:319.0 372:88.0 394:11.0 449:2.0 454:8.0 475:13.0 483:13.0 487:14.0
3-phosphoglycerate	610734	227	724	C00597	1667	85:3431.0 86:914.0 87:3880.0 88:915.0 89:5026.0 90:691.0 91:1326.0 92:1132.0 93:2666.0 94:226.0 95:1037.0 96:384.0 97:379.0 98:1535.0 99:3192.0 100:1292.0 101:64790.0 102:7687.0 103:9445.0 104:1320.0 105:3744.0 106:1380.0 107:1485.0 108:512.0 109:573.0 110:30.0 111:263.0 112:119.0 113:943.0 114:479.0 115:8290.0 116:19606.0 117:11090.0 118:1967.0 119:6002.0 120:1081.0 121:3497.0 122:403.0 123:1251.0 124:178.0 125:236.0 126:73.0 127:41.0 128:291.0 129:3967.0 130:558.0 131:12951.0 132:2494.0 133:54262.0 134:7576.0 135:16069.0 136:1794.0 137:5544.0 138:687.0 139:701.0 140:123.0 141:230.0 142:538.0 143:24022.0 144:3549.0 145:3505.0 146:471.0 147:146921.0 148:23210.0 149:14851.0 150:1545.0 151:5411.0 152:651.0 153:1612.0 154:389.0 155:421.0 156:516.0 157:411.0 158:116.0 159:668.0 160:122.0 161:1066.0 162:176.0 163:1771.0 164:307.0 165:1867.0 166:382.0 167:1721.0 168:341.0 169:377.0 170:476.0 171:370.0 172:134.0 173:407.0 174:160.0 175:943.0 176:281.0 177:1666.0 178:406.0 179:2193.0 180:473.0 181:8252.0 182:1278.0 183:3628.0 184:506.0 185:509.0 186:32.0 187:153.0 188:122.0 189:11544.0 190:2388.0 191:9366.0 192:2062.0 193:10222.0 194:1993.0 195:9106.0 196:1768.0 197:3451.0 198:897.0 199:566.0 200:160.0 201:400.0 202:122.0 203:462.0 204:567.0 205:2240.0 206:516.0 207:18348.0 208:3898.0 209:3507.0 210:1170.0 211:73744.0 212:11992.0 213:6866.0 214:1244.0 215:978.0 216:520.0 217:39956.0 218:7967.0 219:4240.0 220:780.0 221:1394.0 222:480.0 223:553.0 224:262.0 225:12456.0 226:2994.0 227:68254.0 228:11058.0 229:5812.0 230:759.0 231:1114.0 232:298.0 233:818.0 234:286.0 235:21.0 236:38.0 237:261.0 238:63.0 239:247.0 240:126.0 241:907.0 242:396.0 243:2965.0 244:665.0 245:163.0 246:29.0 247:29.0 249:118.0 250:7.0 251:144.0 252:72.0 253:3314.0 254:757.0 255:1966.0 256:515.0 257:332.0 258:140.0 259:4.0 260:44.0 261:16.0 263:53.0 264:1.0 265:79.0 266:2.0 267:665.0 268:540.0 269:2615.0 270:671.0 271:750.0 272:145.0 273:80.0 274:39.0 275:3.0 276:43.0 277:6.0 278:7.0 279:22.0 280:32.0 281:92.0 282:32.0 283:2780.0 284:913.0 285:7450.0 286:1867.0 287:1127.0 288:187.0 289:144.0 290:52.0 291:30.0 292:96.0 293:36.0 294:47.0 295:223.0 296:88.0 297:221.0 298:1928.0 299:85234.0 300:22753.0 301:12522.0 302:2472.0 303:698.0 304:113.0 305:166.0 306:102.0 307:244.0 308:129.0 309:164.0 310:92.0 311:215.0 312:146.0 313:1205.0 314:1002.0 315:28977.0 316:7722.0 317:5227.0 318:1037.0 319:461.0 320:92.0 321:88.0 322:21.0 323:39.0 324:13.0 325:35.0 327:679.0 328:1170.0 329:511.0 330:209.0 331:49.0 332:39.0 333:47.0 334:45.0 335:17.0 336:42.0 337:40.0 338:4.0 339:6.0 340:111.0 341:7475.0 342:2619.0 343:1349.0 344:347.0 345:92.0 346:45.0 347:57.0 348:55.0 349:92.0 350:77.0 351:112.0 352:53.0 353:79.0 354:16.0 355:159.0 356:1163.0 357:45421.0 358:13394.0 359:6958.0 360:1429.0 361:514.0 362:38.0 363:70.0 364:35.0 365:33.0 366:24.0 368:26.0 369:1531.0 370:419.0 371:772.0 372:310.0 373:1150.0 374:470.0 375:244.0 376:94.0 377:44.0 378:97.0 379:40.0 380:31.0 381:48.0 382:16.0 383:75.0 384:171.0 385:121.0 386:1147.0 387:20424.0 388:7548.0 389:6077.0 390:1689.0 391:758.0 392:115.0 393:110.0 394:85.0 395:43.0 396:27.0 399:20.0 401:26.0 404:43.0 406:15.0 407:2.0 408:2.0 409:61.0 410:33.0 411:50.0 412:29.0 413:38.0 414:58.0 415:1391.0 416:599.0 417:279.0 418:57.0 419:17.0 424:26.0 425:44.0 426:41.0 427:47.0 428:20.0 429:68.0 430:69.0 431:1629.0 432:592.0 433:288.0 434:37.0 441:6.0 443:8.0 444:81.0 445:20.0 447:2.0 453:9.0 456:4.0 458:555.0 459:9535.0 460:3690.0 461:2087.0 462:484.0 463:153.0 464:20.0 475:3.0 477:9.0 481:9.0 485:5.0 491:5.0 496:10.0 499:13.0
3-hydroxypropionic acid	269265	177	68152	C01013	1977	85:317.0 87:1774.0 88:555.0 89:599.0 90:145.0 92:72.0 94:12.0 97:21.0 98:250.0 99:13.0 100:2863.0 101:1816.0 102:1129.0 103:1749.0 104:165.0 105:296.0 106:148.0 107:346.0 108:79.0 110:47.0 111:3.0 112:18.0 114:15.0 115:504.0 116:1895.0 117:741.0 118:214.0 124:3.0 125:97.0 127:452.0 128:11.0 129:912.0 130:261.0 131:1035.0 132:105.0 133:1862.0 134:111.0 135:188.0 139:1.0 140:13.0 142:22.0 143:205.0 144:26.0 145:66.0 147:28646.0 148:4716.0 149:2312.0 150:189.0 151:130.0 156:17.0 158:75.0 159:18.0 160:20.0 163:149.0 164:23.0 167:2.0 173:17.0 175:24.0 177:5981.0 178:1098.0 179:469.0 180:75.0 182:13.0 183:24.0 184:78.0 190:2.0 199:68.0 203:2.0 204:5.0 217:43.0 219:3455.0 220:745.0 221:260.0 222:17.0 226:17.0 233:18.0 234:34.0 240:11.0 249:15.0 251:10.0 258:16.0 264:3.0 266:19.0 273:26.0 274:11.0 280:20.0 283:9.0 301:2.0 302:13.0 304:12.0 311:16.0 312:10.0 316:26.0 319:25.0 320:6.0 324:8.0 326:8.0 332:25.0 334:5.0 335:49.0 341:17.0 343:16.0 344:13.0 346:10.0 348:18.0 354:11.0 355:18.0 357:16.0 373:5.0 374:10.0 376:13.0 378:4.0 385:17.0 388:13.0 391:15.0 394:26.0 400:2.0 405:1.0 408:20.0 412:20.0 413:12.0 415:16.0 422:3.0 426:2.0 434:9.0 441:12.0 444:12.0 452:6.0 459:5.0 461:33.0 462:12.0 464:31.0 468:20.0 472:5.0 477:3.0 480:4.0 482:42.0 485:15.0 487:26.0 489:18.0 490:17.0 494:24.0
3-hydroxy-3-methylglutaric acid	521554	247	1662	C03761	32000	85:626.0 88:16.0 99:275.0 100:730.0 101:73.0 102:61.0 103:177.0 105:4.0 109:1920.0 110:105.0 111:74.0 112:83.0 113:58.0 114:82.0 115:2396.0 116:497.0 117:648.0 119:126.0 122:1.0 128:36.0 129:150.0 131:335.0 133:955.0 134:20.0 135:5.0 140:38.0 141:84.0 142:47.0 144:16.0 147:3623.0 148:545.0 149:525.0 150:59.0 151:23.0 157:174.0 159:95.0 163:168.0 164:7.0 170:7.0 171:247.0 172:45.0 183:513.0 184:30.0 188:42.0 189:270.0 190:5.0 191:84.0 198:37.0 199:1241.0 200:148.0 201:103.0 203:410.0 204:193.0 205:99.0 215:59.0 216:5.0 217:15.0 224:8.0 226:10.0 229:24.0 231:992.0 232:174.0 233:35.0 241:16.0 244:29.0 246:14.0 247:1252.0 248:237.0 249:61.0 257:5.0 273:715.0 274:125.0 275:59.0 292:6.0 307:46.0 329:74.0 330:39.0 344:1.0 363:250.0 364:109.0 399:2.0 467:1.0
3-aminoisobutyric acid	309837	102	64956	C05145	10827	85:1011.0 86:1106.0 87:43.0 88:268.0 92:7.0 95:929.0 98:283.0 99:453.0 100:470.0 101:495.0 102:18966.0 103:1967.0 104:794.0 105:126.0 107:32.0 110:167.0 112:59.0 113:388.0 114:529.0 115:1463.0 116:356.0 117:661.0 118:53.0 128:34.0 129:195.0 130:1046.0 131:6450.0 132:1141.0 133:780.0 134:21.0 142:82.0 143:147.0 144:13.0 146:151.0 147:9196.0 148:1484.0 149:882.0 150:44.0 157:66.0 158:10.0 160:11.0 163:28.0 170:30.0 171:204.0 172:67.0 173:41.0 174:49.0 176:1719.0 177:186.0 178:97.0 184:62.0 185:40.0 189:31.0 203:153.0 204:247.0 205:174.0 218:897.0 219:41.0 220:1.0 232:292.0 233:62.0 245:280.0 246:3.0 247:593.0 248:99.0 261:33.0 262:63.0
3,4-dihydroxyhydrocinnamic acid NIST	673176	179	348154	C10447	34133	86:57.0 88:2.0 89:62.0 91:247.0 93:29.0 95:307.0 98:55.0 100:233.0 101:210.0 103:148.0 104:129.0 105:148.0 107:217.0 108:38.0 109:71.0 110:8.0 111:71.0 112:54.0 113:469.0 114:111.0 115:183.0 116:91.0 117:147.0 119:382.0 120:201.0 121:24.0 122:57.0 123:94.0 126:18.0 129:72.0 130:135.0 131:466.0 134:44.0 135:65.0 136:344.0 137:95.0 139:47.0 140:6.0 141:102.0 142:161.0 143:60.0 144:161.0 146:24.0 147:722.0 148:40.0 149:510.0 150:114.0 152:58.0 153:45.0 154:19.0 157:50.0 160:68.0 161:97.0 162:126.0 163:2.0 164:190.0 165:13.0 168:35.0 170:20.0 171:168.0 172:2.0 173:1.0 174:9.0 175:266.0 176:6.0 177:167.0 178:55.0 179:6411.0 180:665.0 181:314.0 184:3.0 188:42.0 191:43.0 192:285.0 193:295.0 196:4.0 203:15.0 207:74.0 211:40.0 214:23.0 215:1.0 217:129.0 222:96.0 223:50.0 226:11.0 233:27.0 235:9.0 237:27.0 238:12.0 241:122.0 246:11.0 247:2.0 250:1.0 251:1.0 252:2.0 253:2.0 255:73.0 259:155.0 263:20.0 264:2.0 265:174.0 266:221.0 267:1251.0 268:306.0 269:116.0 275:5.0 280:464.0 281:127.0 282:45.0 284:7.0 285:37.0 287:27.0 288:1.0 294:4.0 295:60.0 296:156.0 297:71.0 298:43.0 299:10.0 301:1.0 302:12.0 309:188.0 310:29.0 311:16.0 319:98.0 340:3.0 341:136.0 354:5.0 355:9.0 371:1.0 381:1.0 383:115.0 384:64.0 385:69.0 391:1.0 394:1.0 395:1.0 398:818.0 399:300.0 400:127.0 401:69.0 415:24.0 430:5.0 433:6.0 450:1.0 469:1.0 472:2.0 495:9.0
3,4-dihydroxycinnamic acid	748847	219	689043	C01197	16546	85:1780.0 86:20.0 87:24.0 88:1684.0 89:4807.0 90:388.0 91:739.0 92:85.0 93:33.0 94:49.0 95:700.0 97:1259.0 98:647.0 99:413.0 101:816.0 102:963.0 103:1469.0 104:421.0 105:1160.0 106:113.0 107:601.0 108:95.0 109:940.0 110:199.0 111:64.0 112:116.0 113:303.0 115:3976.0 116:1253.0 117:4062.0 118:601.0 119:1232.0 120:1.0 121:523.0 122:115.0 123:7.0 124:63.0 125:51.0 127:648.0 128:467.0 129:1690.0 130:444.0 131:2606.0 132:522.0 133:3179.0 134:225.0 135:3408.0 136:577.0 137:1098.0 138:184.0 139:343.0 141:430.0 142:222.0 143:2647.0 144:254.0 145:1333.0 146:43.0 147:5029.0 148:1085.0 149:1251.0 150:94.0 151:185.0 153:33.0 155:120.0 157:520.0 158:32.0 159:514.0 160:1819.0 161:2110.0 162:407.0 163:2809.0 164:280.0 165:276.0 166:100.0 167:165.0 168:70.0 169:200.0 170:3.0 171:266.0 172:78.0 173:570.0 174:169.0 175:2718.0 176:469.0 177:546.0 178:60.0 179:1096.0 180:180.0 181:159.0 183:105.0 184:118.0 185:452.0 187:314.0 188:68.0 189:1319.0 190:1207.0 191:15520.0 192:2789.0 193:1453.0 194:199.0 195:310.0 196:143.0 197:67.0 199:657.0 200:136.0 201:189.0 202:9.0 203:1497.0 204:340.0 205:825.0 206:307.0 207:347.0 208:5.0 209:323.0 210:80.0 211:125.0 213:272.0 214:63.0 215:51.0 216:442.0 217:514.0 218:587.0 219:80049.0 220:13502.0 221:4393.0 222:627.0 223:801.0 224:138.0 225:75.0 227:105.0 229:3.0 231:132.0 232:73.0 233:2117.0 234:507.0 235:363.0 236:70.0 237:53.0 238:75.0 239:95.0 240:51.0 243:3.0 244:18.0 245:40.0 247:312.0 248:137.0 249:6334.0 250:1453.0 251:852.0 252:118.0 255:273.0 257:14.0 258:1.0 259:141.0 260:40.0 261:91.0 262:85.0 263:375.0 264:111.0 265:457.0 266:115.0 267:1354.0 268:209.0 270:86.0 275:112.0 277:161.0 278:355.0 279:176.0 280:439.0 281:194.0 282:26.0 284:27.0 286:6.0 287:16.0 288:11.0 289:26.0 290:81.0 291:489.0 292:810.0 293:2777.0 294:792.0 295:314.0 296:89.0 297:25.0 298:355.0 302:59.0 303:45.0 306:69.0 307:3583.0 308:1293.0 309:453.0 310:77.0 311:104.0 312:4.0 313:57.0 314:22.0 315:4.0 316:2.0 318:34.0 320:16.0 321:3.0 322:80.0 323:135.0 324:143.0 325:102.0 326:85.0 332:6.0 334:4.0 337:225.0 339:47.0 341:30.0 347:1.0 351:3.0 354:13.0 355:226.0 356:40.0 357:14.0 358:6.0 364:4.0 366:10.0 367:34.0 368:2.0 369:4.0 374:2.0 375:2.0 378:4.0 380:235.0 381:4951.0 382:2311.0 383:914.0 384:340.0 385:79.0 386:27.0 387:78.0 388:42.0 389:12.0 392:47.0 393:22.0 394:35.0 395:719.0 396:15032.0 397:5973.0 398:2902.0 399:858.0 400:125.0 401:33.0 405:3.0 424:3.0 429:2.0 432:8.0 441:1.0 443:9.0 454:4.0 472:7.0 478:9.0 492:3.0 493:10.0
2-monopalmitin	890356	129	123409		2080	85:1173.0 86:178.0 88:144.0 89:1066.0 90:126.0 91:140.0 94:99.0 95:941.0 96:63.0 97:733.0 98:502.0 99:592.0 100:60.0 101:2348.0 102:302.0 103:7151.0 104:680.0 105:645.0 107:102.0 109:408.0 111:290.0 112:75.0 113:755.0 115:765.0 116:501.0 117:1096.0 118:156.0 119:207.0 123:127.0 125:88.0 127:131.0 128:189.0 129:12972.0 130:1803.0 131:2768.0 132:385.0 133:1642.0 134:217.0 135:186.0 137:85.0 139:19.0 143:108.0 145:474.0 146:204.0 147:7648.0 148:1225.0 149:1173.0 150:133.0 151:73.0 159:196.0 160:26.0 161:43.0 162:41.0 163:508.0 164:87.0 165:50.0 173:110.0 174:175.0 175:227.0 177:209.0 179:23.0 185:65.0 188:20.0 189:108.0 191:1803.0 192:340.0 194:31.0 201:119.0 202:39.0 203:2064.0 204:417.0 205:200.0 206:21.0 213:55.0 217:1104.0 218:3952.0 219:901.0 220:246.0 221:159.0 239:235.0 240:28.0 244:19.0 257:48.0 266:28.0 312:20.0 313:564.0 314:155.0 315:34.0 327:24.0 342:17.0 360:15.0 370:15.0 401:22.0 402:14.0 403:45.0 420:21.0
2-monoolein	941794	129	5319879		84531	85:232.0 87:211.0 88:58.0 89:445.0 91:823.0 92:128.0 93:916.0 94:354.0 95:1224.0 96:388.0 97:243.0 98:63.0 99:217.0 101:1656.0 102:154.0 103:14217.0 104:1223.0 105:902.0 107:335.0 108:145.0 109:395.0 110:153.0 111:102.0 112:25.0 113:248.0 114:23.0 115:284.0 116:221.0 117:652.0 119:259.0 120:34.0 121:300.0 122:28.0 123:125.0 124:65.0 125:21.0 128:32.0 129:8919.0 130:1155.0 131:1582.0 132:109.0 133:1180.0 134:82.0 135:308.0 136:101.0 137:66.0 138:42.0 141:9.0 143:150.0 144:28.0 145:197.0 146:107.0 147:4502.0 148:866.0 149:642.0 150:101.0 151:59.0 157:56.0 159:111.0 161:30.0 163:305.0 164:82.0 166:22.0 167:21.0 169:17.0 171:88.0 172:29.0 173:49.0 174:36.0 175:226.0 176:47.0 177:151.0 178:61.0 188:32.0 189:151.0 190:22.0 191:500.0 192:29.0 194:22.0 201:220.0 202:33.0 203:711.0 204:235.0 205:92.0 208:52.0 213:17.0 215:58.0 217:521.0 218:939.0 219:486.0 220:174.0 221:28.0 222:25.0 225:21.0 237:32.0 241:19.0 244:47.0 246:28.0 255:18.0 261:24.0 262:71.0 263:43.0 264:29.0 265:12.0 270:19.0 271:7.0 276:15.0 280:14.0 281:57.0 309:20.0 311:18.0 322:12.0 326:16.0 336:12.0 337:99.0 338:34.0 341:28.0 351:16.0 367:42.0 370:14.0 387:23.0 397:19.0 408:176.0 409:75.0 410:12.0 412:25.0 413:19.0 427:27.0 429:17.0 430:24.0 447:16.0 469:18.0 471:26.0 474:15.0 477:18.0 481:17.0 483:34.0 484:40.0 485:15.0 486:17.0 500:23.0
2-ketoisocaproic acid	310761	89	70	C00233	208	85:129.0 86:213.0 88:136.0 89:5113.0 90:387.0 91:282.0 98:690.0 99:3574.0 100:584.0 101:86.0 103:142.0 104:34.0 105:37.0 110:2780.0 111:140.0 113:196.0 114:693.0 115:2338.0 116:377.0 117:158.0 118:61.0 119:177.0 123:21.0 126:192.0 128:49.0 134:174.0 135:32.0 140:183.0 143:201.0 150:40.0 151:21.0 153:18.0 154:48.0 156:80.0 157:32.0 158:269.0 159:57.0 162:23.0 167:25.0 172:42.0 173:31.0 174:195.0 176:65.0 182:80.0 183:64.0 185:19.0 187:8.0 189:1534.0 190:172.0 191:32.0 197:31.0 199:14.0 200:1899.0 201:202.0 202:58.0 204:20.0 213:13.0 216:1419.0 217:200.0 218:44.0 219:27.0 234:19.0 243:15.0 270:14.0 283:27.0 288:16.0 309:15.0 310:11.0 316:22.0 341:26.0 342:26.0 357:11.0 358:14.0 360:15.0 363:17.0 364:18.0 370:29.0 371:18.0 372:14.0 375:22.0 376:16.0 377:13.0 379:18.0 380:23.0 382:16.0 388:12.0 390:18.0 401:19.0 414:18.0 418:13.0 420:16.0 428:18.0 447:17.0 455:15.0 457:27.0 464:31.0 478:15.0 492:20.0 496:42.0
2-ketobutyric acid	225358	89	58	C00109	305	85:1687.0 86:198.0 87:79.0 88:735.0 89:45116.0 90:2083.0 91:1168.0 92:72.0 93:51.0 101:76.0 105:1606.0 106:287.0 109:24.0 113:56.0 115:139.0 117:167.0 121:2230.0 122:177.0 123:91.0 128:228.0 130:1346.0 132:146.0 133:35.0 141:29.0 144:19.0 145:343.0 151:14.0 152:16.0 159:2308.0 160:218.0 161:130.0 162:116.0 163:97.0 174:891.0 175:1538.0 176:238.0 177:92.0 178:40.0 180:26.0 189:70.0 191:57.0 210:20.0 214:23.0 218:36.0 221:19.0 226:29.0 238:22.0 251:16.0 255:22.0 256:33.0 258:24.0 267:34.0 275:19.0 285:27.0 297:28.0 348:12.0 354:15.0 357:39.0 360:14.0 364:20.0 365:20.0 383:23.0 384:20.0 388:15.0 393:13.0 395:24.0 401:30.0 402:30.0 407:19.0 412:15.0 413:23.0 415:18.0 417:32.0 423:18.0 430:24.0 431:19.0 439:17.0 443:16.0 446:15.0 448:24.0 449:27.0 457:21.0 465:15.0 468:36.0 470:20.0 480:14.0 489:22.0 490:20.0 499:12.0
2-hydroxyvaleric acid	309587	131	98009		25922	85:783.0 86:12.0 89:96.0 95:343.0 99:185.0 101:10.0 110:16.0 113:33.0 115:380.0 116:57.0 117:78.0 127:85.0 130:28.0 131:2537.0 132:259.0 133:199.0 147:2527.0 148:299.0 149:168.0 189:23.0 200:55.0 204:42.0 205:87.0 247:159.0
2-hydroxyglutaric acid	506306	247	43	C02630	2000	85:987.0 86:115.0 99:30.0 101:119.0 103:121.0 105:91.0 115:9.0 116:84.0 117:39.0 129:3826.0 130:487.0 131:370.0 132:6.0 133:412.0 134:38.0 146:11.0 147:1685.0 148:252.0 149:537.0 150:24.0 157:1113.0 158:97.0 159:129.0 163:13.0 172:4.0 184:12.0 203:612.0 204:140.0 217:9.0 218:20.0 231:219.0 247:1048.0 248:174.0 249:17.0 349:124.0 350:3.0 354:11.0 477:11.0 479:1.0
2,5-dihydroxypyrazine NIST	397526	241	23368901		2254	85:168.0 86:172.0 87:115.0 93:14.0 97:710.0 98:27.0 100:66.0 108:4.0 109:15.0 111:179.0 113:419.0 114:172.0 115:562.0 127:101.0 128:126.0 129:169.0 130:13.0 140:38.0 144:10.0 145:499.0 146:11.0 167:155.0 168:17.0 172:5.0 174:1.0 177:4.0 182:157.0 183:31.0 197:1.0 211:11.0 213:6.0 215:3.0 241:1811.0 242:397.0 243:132.0 255:138.0 256:387.0 257:73.0 258:12.0 302:5.0 311:2.0 328:1.0 337:1.0 395:8.0 406:4.0 455:3.0 465:4.0
1-monostearin	959214	203	24699	D01947	648	85:2387.0 86:245.0 88:342.0 89:880.0 90:108.0 91:126.0 93:404.0 94:183.0 95:2259.0 96:306.0 97:2167.0 98:609.0 99:768.0 100:91.0 101:4087.0 102:436.0 103:4290.0 104:462.0 105:416.0 106:95.0 107:246.0 108:39.0 109:1410.0 110:130.0 111:1003.0 112:196.0 113:337.0 114:74.0 115:511.0 116:2218.0 117:3517.0 118:444.0 119:328.0 120:48.0 121:179.0 122:22.0 123:677.0 124:97.0 125:278.0 128:153.0 129:4761.0 130:996.0 131:2479.0 132:1067.0 133:2217.0 134:366.0 135:390.0 137:389.0 138:44.0 140:36.0 141:62.0 142:48.0 143:132.0 144:21.0 145:1358.0 146:585.0 147:8437.0 148:1355.0 149:1287.0 150:106.0 151:213.0 152:31.0 153:62.0 154:67.0 155:39.0 157:46.0 159:222.0 161:118.0 163:186.0 165:78.0 168:39.0 170:44.0 171:40.0 173:78.0 174:83.0 175:475.0 176:82.0 179:44.0 181:37.0 183:27.0 184:60.0 185:84.0 187:437.0 188:383.0 189:106.0 190:63.0 191:77.0 198:18.0 201:383.0 202:70.0 203:2423.0 204:447.0 205:1247.0 206:248.0 207:102.0 211:31.0 213:17.0 215:20.0 216:30.0 217:68.0 218:316.0 219:178.0 220:47.0 228:30.0 230:40.0 234:40.0 237:73.0 241:25.0 243:54.0 251:42.0 257:130.0 258:51.0 259:24.0 260:21.0 267:771.0 268:141.0 275:27.0 297:20.0 328:21.0 333:33.0 334:17.0 341:170.0 351:31.0 355:19.0 358:15.0 370:24.0 380:18.0 398:147.0 399:2124.0 400:966.0 401:249.0 407:25.0 412:39.0 413:48.0 414:17.0 415:14.0 427:13.0 433:21.0 436:26.0 439:15.0 444:20.0 446:19.0 448:17.0 451:12.0 453:19.0 467:18.0 473:28.0 481:13.0 484:14.0 486:17.0 487:129.0 489:52.0 490:21.0 491:18.0 493:15.0 495:18.0 500:14.0
1-monoolein	952623	129	5283468		7508	85:574.0 86:56.0 87:709.0 88:73.0 89:747.0 90:78.0 91:856.0 92:154.0 93:1294.0 94:580.0 95:2736.0 96:562.0 97:1409.0 98:812.0 99:402.0 100:65.0 101:4011.0 102:484.0 103:7050.0 104:595.0 105:742.0 106:156.0 107:791.0 108:155.0 109:1114.0 110:270.0 111:672.0 112:115.0 113:214.0 114:24.0 115:456.0 116:1288.0 117:2529.0 118:273.0 119:379.0 120:122.0 121:917.0 122:237.0 123:624.0 124:165.0 125:190.0 127:105.0 128:15.0 129:10793.0 130:1722.0 131:2720.0 132:784.0 133:2163.0 134:261.0 135:824.0 136:158.0 137:284.0 138:34.0 139:78.0 140:2.0 141:18.0 142:156.0 143:199.0 144:19.0 145:681.0 146:562.0 147:7007.0 148:1077.0 149:1116.0 150:262.0 151:249.0 152:108.0 153:87.0 156:61.0 157:106.0 158:28.0 159:173.0 160:98.0 161:233.0 162:63.0 163:367.0 164:112.0 165:149.0 166:28.0 169:41.0 171:120.0 172:27.0 173:170.0 174:161.0 175:336.0 176:52.0 177:89.0 178:31.0 179:93.0 180:10.0 181:3.0 183:15.0 184:1.0 185:19.0 186:42.0 187:207.0 188:242.0 189:208.0 190:42.0 191:97.0 193:66.0 194:18.0 199:32.0 200:49.0 201:1328.0 202:207.0 203:2252.0 204:921.0 205:1105.0 206:237.0 207:206.0 208:60.0 209:24.0 213:17.0 215:234.0 216:23.0 217:264.0 218:232.0 219:379.0 220:133.0 221:116.0 223:11.0 227:21.0 228:8.0 229:36.0 230:42.0 235:14.0 237:158.0 241:8.0 242:13.0 243:91.0 244:100.0 245:48.0 246:64.0 247:33.0 248:26.0 249:17.0 250:9.0 252:6.0 255:71.0 257:448.0 258:120.0 259:27.0 261:4.0 262:146.0 263:59.0 264:57.0 265:373.0 266:56.0 267:57.0 271:48.0 272:13.0 273:18.0 283:20.0 285:25.0 286:22.0 287:33.0 288:24.0 289:3.0 292:3.0 293:3.0 297:8.0 298:4.0 299:13.0 300:38.0 303:2.0 305:138.0 306:15.0 307:95.0 308:54.0 310:25.0 311:27.0 313:60.0 314:82.0 315:24.0 319:59.0 320:9.0 321:5.0 322:1.0 325:7.0 328:34.0 329:4.0 335:7.0 337:26.0 339:103.0 340:22.0 341:95.0 345:5.0 346:2.0 347:30.0 355:51.0 357:1.0 359:20.0 363:9.0 366:12.0 368:18.0 373:3.0 375:2.0 382:24.0 384:7.0 387:9.0 395:186.0 396:101.0 397:795.0 398:323.0 399:91.0 400:13.0 401:7.0 403:5.0 408:108.0 409:66.0 410:106.0 411:37.0 429:8.0 443:2.0 455:1.0 461:16.0 464:6.0 472:2.0 475:54.0 478:4.0 479:1.0 483:40.0 484:35.0 485:87.0 486:52.0 487:55.0 489:6.0
1-hexadecanol	679596	299	2682	C00823	16713	85:705.0 86:51.0 89:1086.0 90:140.0 91:307.0 97:1910.0 98:76.0 99:149.0 100:37.0 101:703.0 102:99.0 103:1810.0 104:22.0 106:25.0 110:37.0 111:800.0 112:61.0 113:101.0 114:49.0 115:16.0 117:120.0 125:182.0 127:25.0 129:351.0 130:47.0 142:3.0 143:136.0 144:18.0 145:15.0 157:186.0 184:83.0 187:40.0 189:14.0 201:2.0 204:93.0 205:304.0 206:39.0 209:9.0 217:431.0 218:22.0 219:17.0 227:8.0 229:22.0 231:43.0 248:24.0 259:128.0 273:4.0 282:33.0 292:386.0 293:48.0 298:40.0 299:1419.0 300:354.0 301:84.0 305:134.0 306:8.0 319:163.0 320:15.0 321:41.0 331:19.0 332:7.0 333:311.0 334:39.0 335:13.0 345:17.0 349:14.0 359:1.0 360:6.0 382:2.0 407:1.0 423:15.0 433:26.0 449:6.0 476:12.0 482:4.0
1,2-anhydro-myo-inositol NIST	651472	318	119054		16557	85:790.0 86:151.0 87:1307.0 88:8.0 90:93.0 91:58.0 95:305.0 97:198.0 98:63.0 99:708.0 101:2297.0 102:106.0 103:7446.0 104:505.0 109:190.0 110:51.0 111:679.0 112:156.0 113:813.0 116:1127.0 119:592.0 124:1.0 125:76.0 126:241.0 127:578.0 129:10841.0 131:3376.0 132:122.0 133:9161.0 134:1359.0 135:672.0 137:79.0 138:32.0 139:109.0 140:12.0 141:333.0 142:319.0 143:2694.0 144:231.0 146:121.0 147:30131.0 148:4448.0 149:3552.0 150:132.0 151:242.0 152:68.0 153:155.0 155:543.0 156:255.0 157:399.0 158:43.0 159:76.0 161:488.0 168:99.0 169:628.0 170:98.0 171:372.0 172:260.0 173:84.0 175:771.0 176:151.0 177:659.0 178:150.0 179:11.0 181:154.0 183:92.0 185:67.0 187:86.0 188:327.0 189:3902.0 190:1146.0 191:16422.0 192:2781.0 193:1448.0 194:183.0 195:72.0 197:19.0 199:83.0 200:86.0 201:405.0 202:142.0 203:873.0 204:17003.0 205:5597.0 206:1692.0 207:935.0 208:372.0 209:36.0 212:69.0 214:65.0 215:434.0 217:15028.0 218:2686.0 219:1369.0 221:2100.0 222:486.0 223:236.0 224:55.0 227:56.0 228:55.0 230:380.0 231:500.0 232:45.0 234:50.0 236:32.0 237:24.0 239:154.0 240:41.0 241:52.0 242:114.0 243:845.0 244:167.0 245:213.0 249:100.0 250:15.0 254:137.0 255:164.0 256:16.0 257:87.0 258:38.0 259:285.0 260:29.0 264:87.0 265:3046.0 266:763.0 267:398.0 268:36.0 269:52.0 270:13.0 271:213.0 272:172.0 273:913.0 274:189.0 275:10.0 276:26.0 278:151.0 279:16.0 281:51.0 285:8.0 287:6.0 288:24.0 289:68.0 291:1522.0 292:493.0 293:333.0 294:68.0 295:67.0 298:7.0 299:20.0 301:33.0 302:57.0 303:117.0 304:215.0 305:3626.0 306:963.0 307:507.0 308:10.0 309:12.0 310:42.0 313:56.0 314:24.0 315:13.0 316:59.0 317:324.0 318:10424.0 319:2422.0 320:1572.0 321:235.0 322:24.0 323:2.0 325:33.0 326:19.0 327:35.0 328:24.0 329:71.0 330:6.0 331:9.0 332:59.0 337:16.0 339:7.0 341:111.0 342:69.0 343:408.0 344:159.0 345:281.0 346:111.0 347:45.0 353:10.0 356:30.0 362:66.0 363:148.0 364:42.0 365:9.0 367:510.0 368:179.0 369:86.0 370:53.0 371:2.0 373:3.0 374:8.0 375:2.0 379:21.0 381:7.0 384:20.0 385:22.0 386:22.0 392:32.0 393:204.0 394:113.0 395:84.0 397:37.0 398:22.0 399:4.0 400:43.0 401:47.0 402:3.0 404:23.0 406:54.0 407:26.0 408:10.0 410:1.0 412:2.0 413:25.0 414:17.0 416:80.0 417:74.0 418:8.0 419:83.0 422:10.0 425:2.0 427:48.0 429:19.0 430:48.0 431:134.0 432:1644.0 433:1110.0 434:634.0 435:247.0 436:86.0 437:7.0 438:35.0 440:2.0 442:8.0 444:33.0 446:3.0 447:8.0 449:2.0 452:2.0 453:16.0 454:18.0 455:10.0 456:21.0 457:39.0 458:10.0 459:19.0 460:32.0 464:6.0 470:5.0 472:22.0 473:39.0 474:13.0 475:70.0 477:29.0 481:8.0 484:3.0 485:56.0 487:4.0 488:22.0 489:7.0 490:37.0 491:39.0 493:9.0 494:24.0 496:36.0 497:42.0 498:39.0