#METABOLOMICS WORKBENCH KDSpencer77_20230821_115049 DATATRACK_ID:4237 STUDY_ID:ST002837 ANALYSIS_ID:AN004638 PROJECT_ID:PR001776
VERSION             	1
CREATED_ON             	August 22, 2023, 12:07 pm
#PROJECT
PR:PROJECT_TITLE                 	Bacterial tryptophan metabolites increased by prebiotic galactooligosaccharide
PR:PROJECT_TITLE                 	reduce microglial reactivity and are associated with lower anxiety-like behavior
PR:PROJECT_SUMMARY               	Prebiotic galactooligosaccharides (GOS) reduce anxiety-like behaviors in mice
PR:PROJECT_SUMMARY               	and humans. However, the biological pathways behind these behavioral changes are
PR:PROJECT_SUMMARY               	not well understood. To begin to study these pathways, C57BL/6 mice were fed a
PR:PROJECT_SUMMARY               	standard diet with or without GOS supplementation for 3 weeks prior to testing
PR:PROJECT_SUMMARY               	on the open field. After behavioral testing, colonic contents and serum were
PR:PROJECT_SUMMARY               	collected for bacteriome (16S rRNA gene sequencing, colonic contents only) and
PR:PROJECT_SUMMARY               	metabolome (UPLC-MS, colonic contents and serum data) analyses. As expected, GOS
PR:PROJECT_SUMMARY               	significantly reduced anxiety-like behavior (i.e., increased time in the center
PR:PROJECT_SUMMARY               	(p < 0.05)). Time in the center was significantly correlated with serum
PR:PROJECT_SUMMARY               	methyl-indole-3-acetate (mI3A). This metabolite, which is a methylated form of
PR:PROJECT_SUMMARY               	indole-3-acetate, is derived from bacterial metabolism of tryptophan. Sequencing
PR:PROJECT_SUMMARY               	analyses showed that GOS significantly increased Akkermansia, which is known to
PR:PROJECT_SUMMARY               	metabolize both GOS and tryptophan. To test the hypothesis that mI3A can reduce
PR:PROJECT_SUMMARY               	anxiety-like behavior and affect microglial activity, we first tested mI3A
PR:PROJECT_SUMMARY               	effects on LPS-stimulated BV2 microglia. Cells treated with mI3A produced
PR:PROJECT_SUMMARY               	significantly less CCL2 and TNF-α than vehicle-treated cells (p<.05). We then
PR:PROJECT_SUMMARY               	treated mice with an intraperitoneal injection of mI3A or vehicle control, and
PR:PROJECT_SUMMARY               	found that mice given mI3A had lower CCL2 in the prefrontal cortex and
PR:PROJECT_SUMMARY               	hippocampus, as well as a reduction in a composite behavioral score in the open
PR:PROJECT_SUMMARY               	field. Together, these data support a novel pathway through which GOS reduces
PR:PROJECT_SUMMARY               	anxiety-like behaviors in mice, and suggests that the bacterial metabolite mI3A,
PR:PROJECT_SUMMARY               	which is elevated by GOS, reduces microglial CCL2, which in turn reduces
PR:PROJECT_SUMMARY               	anxiety-like behavior.
PR:INSTITUTE                     	National Center for Advancing Translational Sciences
PR:LAST_NAME                     	Spencer
PR:FIRST_NAME                    	Kyle
PR:ADDRESS                       	9800 Medical Center Dr, Rockville, MD 20850
PR:EMAIL                         	kyle.spencer@nih.gov
PR:PHONE                         	9897084858
#STUDY
ST:STUDY_TITLE                   	Bacterial tryptophan metabolites increased by prebiotic galactooligosaccharide
ST:STUDY_TITLE                   	reduce microglial reactivity and are associated with lower anxiety-like behavior
ST:STUDY_TITLE                   	(Blood)
ST:STUDY_SUMMARY                 	Prebiotic galactooligosaccharides (GOS) reduce anxiety-like behaviors in mice
ST:STUDY_SUMMARY                 	and humans. However, the biological pathways behind these behavioral changes are
ST:STUDY_SUMMARY                 	not well understood. To begin to study these pathways, C57BL/6 mice were fed a
ST:STUDY_SUMMARY                 	standard diet with or without GOS supplementation for 3 weeks prior to testing
ST:STUDY_SUMMARY                 	on the open field. After behavioral testing, colonic contents and serum were
ST:STUDY_SUMMARY                 	collected for bacteriome (16S rRNA gene sequencing, colonic contents only) and
ST:STUDY_SUMMARY                 	metabolome (UPLC-MS, colonic contents and serum data) analyses. As expected, GOS
ST:STUDY_SUMMARY                 	significantly reduced anxiety-like behavior (i.e., increased time in the center
ST:STUDY_SUMMARY                 	(p < 0.05)). Time in the center was significantly correlated with serum
ST:STUDY_SUMMARY                 	methyl-indole-3-acetate (mI3A). This metabolite, which is a methylated form of
ST:STUDY_SUMMARY                 	indole-3-acetate, is derived from bacterial metabolism of tryptophan. Sequencing
ST:STUDY_SUMMARY                 	analyses showed that GOS significantly increased Akkermansia, which is known to
ST:STUDY_SUMMARY                 	metabolize both GOS and tryptophan. To test the hypothesis that mI3A can reduce
ST:STUDY_SUMMARY                 	anxiety-like behavior and affect microglial activity, we first tested mI3A
ST:STUDY_SUMMARY                 	effects on LPS-stimulated BV2 microglia. Cells treated with mI3A produced
ST:STUDY_SUMMARY                 	significantly less CCL2 and TNF-α than vehicle-treated cells (p<.05). We then
ST:STUDY_SUMMARY                 	treated mice with an intraperitoneal injection of mI3A or vehicle control, and
ST:STUDY_SUMMARY                 	found that mice given mI3A had lower CCL2 in the prefrontal cortex and
ST:STUDY_SUMMARY                 	hippocampus, as well as a reduction in a composite behavioral score in the open
ST:STUDY_SUMMARY                 	field. Together, these data support a novel pathway through which GOS reduces
ST:STUDY_SUMMARY                 	anxiety-like behaviors in mice, and suggests that the bacterial metabolite mI3A,
ST:STUDY_SUMMARY                 	which is elevated by GOS, reduces microglial CCL2, which in turn reduces
ST:STUDY_SUMMARY                 	anxiety-like behavior.
ST:INSTITUTE                     	National Center for Advancing Translational Sciences
ST:LAST_NAME                     	Spencer
ST:FIRST_NAME                    	Kyle
ST:ADDRESS                       	9800 Medical Center Dr, Rockville, MD 20850
ST:EMAIL                         	kyle.spencer@nih.gov
ST:PHONE                         	9897084858
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	NACH-00271	GROUP_ID:GOS	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00272	GROUP_ID:GOS	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00273	GROUP_ID:GOS	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00274	GROUP_ID:GOS	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00275	GROUP_ID:GOS	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00276	GROUP_ID:CON	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00277	GROUP_ID:CON	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00278	GROUP_ID:CON	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00279	GROUP_ID:CON	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00280	GROUP_ID:CON	
SUBJECT_SAMPLE_FACTORS           	-	NACH-00281	GROUP_ID:CON	
#COLLECTION
CO:COLLECTION_SUMMARY            	After euthanasia the serum of the mice were collected and sent to Metabolon Inc
CO:COLLECTION_SUMMARY            	for UPLC-MS Analysis.
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	The mice were fed either a control diet or a diet supplemented with 10%
TR:TREATMENT_SUMMARY             	galactooligosaccharide for 3 weeks. After the 3 weeks had elapsed the mice were
TR:TREATMENT_SUMMARY             	euthanized and the colonic contents were collected.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The colonic contents were sent to Metabolon who then performed the sample
SP:SAMPLEPREP_SUMMARY            	preparation prior to UPLC-MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Low pH Lipophilic (LC/MS Pos late)
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (100 x 2mm, 1.7um)
CH:SOLVENT_A                     	-
CH:SOLVENT_B                     	-
CH:FLOW_GRADIENT                 	-
CH:FLOW_RATE                     	-
CH:COLUMN_TEMPERATURE            	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	Other
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Metabolon (LC/MS Pos late)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Relative Abundance
MS_METABOLITE_DATA_START
Samples	NACH-00271	NACH-00272	NACH-00273	NACH-00274	NACH-00275	NACH-00276	NACH-00277	NACH-00278	NACH-00279	NACH-00280	NACH-00281
Factors	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON
1,2-dilinoleoyl-GPC (18:2/18:2)	0.663	1.155	0.8284	1.098	0.9648	1.2468	1	0.8796	1.2247	0.8985	1.0437
1,2-dilinoleoyl-GPE (18:2/18:2)*	1	1.0235	0.5449	0.7097	1.2621	1.1141	0.7605	0.6237	1.0862	0.9509	1.2539
1,2-dipalmitoyl-GPC (16:0/16:0)	1.4013	0.989	1.0651	1	0.9099	0.897	0.9033	0.8021	1.2142	1.1536	2.5302
1,2-dipalmitoyl-GPE (16:0/16:0)*	0.873	1.0817	2.5205	0.7618	0.7618	0.9183	0.7831	0.7618	0.7618	2.7221	2.6626
1-(1-enyl-oleoyl)-GPE (P-18:1)*	0.9768	1.3809	0.6873	0.8961	0.7528	1.1759	1.3222	0.5009	1.5637	1.3511	1
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	1.3136	0.8361	0.9232	1.1772	0.9922	0.995	1.1258	0.7966	1.4155	0.7966	1.005
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	0.7689	0.8822	1.0067	1	1.0954	0.9906	0.9172	0.8604	1.4096	1.2208	1.8166
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	0.7278	1.0172	0.6541	1.1889	1.1679	1.3934	1	0.7527	1.4322	0.9347	0.9754
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	0.4748	0.4748	0.6361	0.4748	1.9355	1.0854	0.4748	1.0347	0.7388	0.4748	1
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	0.9446	1	0.5469	1.1415	0.9599	1.0751	1.0336	0.9434	1.4352	0.9604	1.0946
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	0.7505	0.8316	1.2825	0.8075	1.1322	1	0.994	0.6286	1.3486	1.2918	2.0513
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	1	0.9073	0.799	0.9385	1.062	0.9298	1.0884	0.9753	1.0949	1.1134	1.2318
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	0.7936	1	0.7923	1.046	1.0028	1.1023	1.0864	0.7726	1.0231	0.9544	0.7618
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	0.889	1.2514	0.8428	1	0.9527	1.1479	1.262	0.7319	1.2538	1.301	0.9806
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	0.5976	0.8836	0.8582	0.7956	1.0381	1.1264	1	0.9076	1.4478	1.1524	1.0615
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	0.5919	0.9144	0.8406	0.922	1.0955	1.3725	1.071	1	1.4067	1.0336	0.9411
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	0.5005	0.5005	0.8854	0.5005	1.1373	1.8592	0.5005	0.5526	0.5005	1.1146	0.5005
1-(1-enyl-stearoyl)-GPE (P-18:0)*	1	1.2365	0.8618	0.9675	0.9658	1.4171	1.3041	0.8357	1.372	1.1709	0.8264
1-arachidonoyl-GPC (20:4n6)*	0.7146	1.0302	0.844	1	0.78	1.1839	1.0617	0.8453	1.2952	1.034	0.8499
1-arachidonoyl-GPE (20:4n6)*	0.526	0.9702	1.0665	1.5907	1	0.9523	0.9273	0.8919	1.4859	1.3399	1.3632
1-lignoceroyl-GPC (24:0)	0.557	1.073	0.7184	1	0.9998	1.1155	1.1662	0.8221	1.3528	1.1885	0.6856
1-linolenoyl-GPC (18:3)*	0.8287	1.1519	0.9117	1.3426	1.2167	1.2349	1.091	0.9814	1	0.9592	0.8841
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	0.2941	1.1965	0.7869	1	0.8826	1.4216	1.2412	0.8044	1.3017	1.1415	0.9295
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*	1.0032	0.9649	1.1131	0.8733	0.8527	1	0.978	0.6324	1.0784	1.7563	2.1535
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	0.524	1.1361	0.7543	1.0661	1.2745	1.3161	1.162	0.9449	1	0.8792	0.8791
1-linoleoyl-GPC (18:2)	0.7357	1.0578	0.8648	1.1712	0.9825	1.1851	1.0253	0.9436	1.1703	1	0.9074
1-linoleoyl-GPE (18:2)*	0.9655	1.0211	0.8257	1.2875	1.1642	1	0.789	0.7859	1.2686	0.9204	1.0574
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	0.2877	1.1028	0.5389	0.9226	1	1.0115	1.0634	0.723	1.0692	1.0364	0.7262
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	1.1183	0.9772	1.1263	1.1119	0.9598	0.8905	0.9805	0.6665	1.2592	1	4.9047
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	0.5622	1.0733	0.8719	0.9795	0.9805	1.022	1	0.6658	1.3728	1.7142	1.8425
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*	0.5147	1.5667	0.9392	0.9725	0.6626	1.4917	1	0.7433	1.4527	1.5587	1.3782
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	0.2434	1	0.7976	1.0839	0.7007	1.0725	0.9406	0.6421	1.3997	1.1434	1.2243
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	0.5799	0.9438	1.0026	1	0.9625	0.9878	1.0699	0.7205	1.108	1.5831	1.7299
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	0.7419	0.9989	0.8138	1.2721	0.632	1.0207	1	0.6575	1.2391	1.0702	1.4621
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	0.8472	1.0664	0.6536	0.9096	1.2547	1	0.8266	0.6554	1.1177	1.2102	1.2846
1-oleoyl-GPC (18:1)	0.4571	1	0.7861	1.1561	0.7376	1.2478	0.9462	0.7387	1.3529	1.1697	1.0059
1-oleoyl-GPE (18:1)	0.8654	1.0509	0.8108	1.1181	0.9131	1.0171	0.8034	0.633	1.1037	1	1.0761
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*	0.248	1.0411	0.6174	1.1699	1.0295	1	1.0803	0.589	0.9034	1.0725	0.7975
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*	0.4136	1.1088	0.7482	1.2925	0.9582	0.9521	1.0251	0.6804	1.0187	1.0229	1
1-palmitoleoyl-GPC (16:1)*	0.5749	1.2092	0.7923	1.3082	0.791	1.021	1	0.6885	1.1362	1.219	0.9967
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	0.567	0.9786	0.731	1.001	1.0411	1	1.0205	0.9032	1.456	0.9913	1.0236
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	0.5745	1	0.7052	0.983	1.3377	0.9113	1.01	0.7831	1.4331	1.5504	1.463
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	0.3594	1.0098	0.6602	0.9664	1.0719	1	1.0844	0.8965	1.2009	1.177	0.5777
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	0.4977	1.0179	0.8061	1.1647	0.777	1.0605	0.9322	0.798	1.4127	1	1.1577
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	0.306	0.9456	0.7731	1.0006	1.1108	1	0.9909	0.8856	1.4579	1.0647	1.0375
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	0.2477	0.9393	0.5922	1	1.4333	0.9263	1.1615	0.804	1.2687	1.4108	1.1469
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*	0.4966	1	0.6682	1.0582	1.6034	1.0208	0.9557	1.0315	1.1286	0.9017	0.9024
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	0.6634	1	0.8416	1.2691	1.1227	0.9632	1.0131	0.9686	1.3525	0.9782	1.2784
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	0.8643	1.0534	0.6223	1	1.5804	0.8396	0.8773	0.7824	1.0908	1.1276	1.1469
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	0.6054	1.1015	0.7065	1.0092	1.1182	1.0339	1.1993	0.9324	1	0.9966	0.6243
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	0.3734	0.9433	0.774	1.2481	1	1.1036	0.9878	0.8691	1.6656	1.2499	1.3098
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	0.5749	1.1485	1	0.7898	1.1594	0.8917	0.8531	0.6153	1.2297	1.6567	1.8217
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	0.3647	1.0013	0.687	1.1912	1	0.8813	0.8654	0.7854	1.4337	1.1759	1.6519
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	0.5194	1.0188	0.8444	0.7887	0.8724	1.1491	1.0035	0.8228	1.1869	1.0274	1
1-palmitoyl-GPC (16:0)	0.616	1	0.7873	1.0846	1.0297	0.9871	1.0111	0.8683	1.1673	1.0189	0.8961
1-palmitoyl-GPE (16:0)	0.8068	1.004	0.7276	1.1213	1.146	0.9226	1	0.8318	1.0285	1.0384	0.9356
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	0.4636	0.9927	0.7564	1.0198	1.0505	1.2084	1.1363	0.8662	1.4811	1	0.949
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	0.6507	1	0.6296	0.8966	1.4567	0.9624	1.0197	0.7447	1.2658	1.2632	1.0848
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	0.3682	1	0.7332	1.0372	0.9651	1.1215	1.0729	0.8443	1.3652	1.0146	0.9174
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	0.3315	0.8207	0.7912	1.0446	1.0793	1.1926	1.0846	0.8917	1.5828	0.9893	1
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	0.666	0.9354	0.678	1.202	1.9043	0.924	1.0861	0.8156	1.254	1	1.6569
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	0.6928	1.0133	0.8257	1.2185	0.9844	1.1142	1	0.8889	1.2801	0.9155	1.1721
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	0.8957	1.2764	0.62	0.8971	1.6376	1.2365	0.9977	0.7735	1.3754	1.2377	1
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	0.9345	1.3217	0.8167	0.9325	1.1956	1.3588	1.2583	1	1.2415	0.9124	0.718
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	0.3625	1	0.6658	1.0115	0.8909	1.402	1.017	0.7474	1.6497	1.1203	0.9219
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	0.6713	1.0214	0.6198	0.6698	1.4397	1.0698	0.7077	0.5438	1.1371	1.0838	1
1-stearoyl-GPC (18:0)	0.5643	1.0104	0.7771	1.0644	0.9892	1.1382	1.0792	0.8461	1.2163	1	0.7796
1-stearoyl-GPE (18:0)	0.8919	0.9946	0.717	1.0302	1.2039	1	1.0193	0.8329	1.1112	1.0354	0.8
2-aminooctanoate	0.7174	0.4682	0.4459	1.5033	1.0788	1	0.9509	1.1469	0.5163	1.3223	1.4229
3-hydroxydecanoylcarnitine	1.6358	1.1472	0.961	1.039	0.4706	1.2036	1.2248	0.8403	0.4706	0.8915	0.7775
3-hydroxyoleoylcarnitine	0.5733	0.7507	1.0747	0.5733	0.5769	1.5135	1.4547	0.8276	1.5116	1.389	0.9253
3-hydroxypalmitoylcarnitine	0.694	1.2965	0.9558	1.3632	1	1.2738	1.4986	0.9225	0.9005	1.0632	0.9718
5-dodecenoylcarnitine (C12:1)	1.6742	1	1.0987	0.8991	0.3377	1.0746	1.37	0.7869	0.8975	1.0986	0.6366
alpha-tocopherol	0.8255	1.293	0.5976	1.4459	1.3944	0.9879	1.4733	1	1.0088	0.8352	0.0967
arachidonoylcarnitine (C20:4)	1.1588	1	0.8416	0.9666	0.6658	1.1259	1.1803	0.7073	1.3655	1.3022	0.9155
behenoyl dihydrosphingomyelin (d18:0/22:0)*	0.3038	0.7986	0.5998	0.3038	1.38	0.9643	1.0414	0.3038	1.0357	1.0729	0.3038
behenoyl sphingomyelin (d18:1/22:0)*	0.2581	0.9493	0.6875	0.9731	1.511	1.1163	1.292	1	1.2273	1.0426	0.7834
beta-sitosterol	0.7629	0.7785	0.7629	0.7629	1.205	1.3909	0.795	0.7629	1.3201	0.7629	0.7629
bilirubin (E,E)*	3.0236	0.8619	0.8619	0.9856	1	0.8619	2.2303	0.8619	0.8619	0.8619	0.8619
bilirubin (Z,Z)	2.8026	1.7964	0.0583	1.339	1.7566	0.661	3.2417	0.5078	0.1311	0.3289	0.0583
biliverdin	3.187	1.0954	0.7002	1.2192	0.8883	1.1467	1.0582	1	0.918	0.829	0.3785
campesterol	0.3471	0.9332	0.5418	0.6829	1.3643	1.3248	1.2501	1	1.5076	1.045	0.5719
ceramide (d16:1/24:1, d18:1/22:1)*	0.5327	1.0803	0.5327	0.5327	0.5438	1.1206	0.874	0.5327	1.5569	1.1519	0.9197
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	0.218	1.0125	0.739	0.3335	1.4195	1.253	0.8188	1	1.2876	1.2076	0.7331
ceramide (d18:2/24:1, d18:1/24:2)*	0.5359	1	0.8785	1.0173	0.752	1.0747	0.8185	0.6836	1.2873	1.4887	1.5043
cholesterol	0.889	1	0.7635	0.93	1.061	1.1118	1.0407	0.9732	1.4289	1.1549	0.9354
cis-4-decenoylcarnitine (C10:1)	1.2755	0.8504	1.0144	1.0075	0.7	1	0.3677	1.0405	0.9027	1.0355	0.9463
decanoylcarnitine (C10)	2.1147	0.7361	0.8492	0.7361	0.7361	1.0812	0.7601	1	0.7361	1.1246	0.7361
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	0.6927	0.9472	0.6927	0.9784	1.2492	1.0216	0.9465	1.0571	1.1967	1.3397	0.8908
dihomo-linolenoylcarnitine (C20:3n3 or 6)*	0.9433	0.7848	0.8816	0.7555	0.7555	1.3029	1	1.1236	1.1244	1.2334	0.7555
dihomo-linoleoylcarnitine (C20:2)*	0.8337	0.6186	1	0.9739	0.831	1.6132	1.0744	1.0408	0.9838	1.3967	1.2493
docosahexaenoylcholine	0.7355	0.7355	1.2633	1.2592	0.841	1.726	0.738	1.9398	1.0793	0.9207	0.8165
eicosenoylcarnitine (C20:1)*	0.5663	0.7773	1.0857	0.905	0.8992	1.4743	1.4504	1.0441	0.9559	1.335	0.5663
gamma-tocopherol/beta-tocopherol	2.5742	1.9955	0.7913	1.2449	2.3078	1.3487	1	0.7868	0.9508	0.7033	0.1767
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*	0.4176	1.562	0.6876	0.6618	0.5145	1.2688	0.9116	0.4176	2.1783	1.4523	1.0884
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	0.5783	1.1257	0.7607	0.5783	0.9054	1.536	1.1144	0.9004	1.7823	1.0946	0.6134
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	0.9575	1.2566	0.7902	0.6223	0.7842	1.5345	1.3339	0.9215	1.9904	1.6149	1
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	0.5759	0.7243	0.5759	0.972	0.6585	1.4772	1.0697	1.028	1.9021	1.0827	0.6865
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	1	1.0251	0.9256	0.9832	0.8174	1.186	1.1589	0.894	1.5157	1.1707	0.8546
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	0.5865	0.7721	0.5865	0.5865	0.6447	1.3683	1	0.5865	1.1816	1.0901	0.5865
heme	0.6207	0.7088	1.2496	0.9413	0.4406	1.0284	0.4901	1	1.587	1.1448	3.2532
hexadecasphingosine (d16:1)*	0.9517	1.2878	1.2823	0.7809	0.8811	0.8915	0.9146	1.4399	1.0146	1	4.3475
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**	1	0.8456	0.7159	1.0193	1.1389	0.8923	1.1761	0.9267	1.1869	1.0098	0.7899
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	0.6212	0.8594	0.6212	0.6212	1.0763	0.7334	1.1934	1	0.6212	1.0056	0.6212
laurylcarnitine (C12)	1.3655	1	1.0747	0.9949	0.5998	1.1235	1.1019	0.879	0.7991	1.1519	0.8236
lignoceroyl sphingomyelin (d18:1/24:0)	0.4888	0.9695	0.775	1.0121	1.1975	1.0181	1.1273	0.8793	1	1.2651	0.9849
lignoceroylcarnitine (C24)*	0.8018	0.9183	0.778	0.9248	1.4439	1.0944	1.1152	0.8164	1.3605	1.0752	0.778
linolenoylcarnitine (C18:3)*	1.2888	0.8814	1	0.8803	0.6534	1.3543	1.0337	0.9219	1.1	1.2218	0.6971
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	1.5607	0.8897	0.7376	0.7376	1.8636	0.9952	1.0166	1.0048	1.3346	0.8671	0.8528
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	1.6471	1.1107	0.6218	0.6218	1.4391	0.8353	0.9544	1	1.5852	0.768	0.6218
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*	0.3999	0.3965	0.5964	0.7126	1.2529	0.8492	1.1686	1.3219	1.1144	1.0772	1
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*	0.3532	1.7095	0.7081	0.7928	1.6762	1.0481	0.8877	1	1.1738	1.3845	0.8097
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	0.5467	0.5467	0.7728	0.9995	0.5467	1.0852	0.5467	1	1.2311	0.5467	1.3412
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	0.4307	1	0.8736	0.9734	1.3599	1.6454	0.7676	1.3136	1.6706	1.4764	0.8854
linoleoylcarnitine (C18:2)*	1.0129	0.8351	0.975	1	0.7315	1.3545	1.0363	0.8851	1.288	1.1134	0.8635
linoleoylcholine*	1.848	0.2717	1.1097	1.2023	0.8994	1.4158	0.6878	1.6381	0.7982	0.6649	1
margaroylcarnitine (C17)*	0.8195	1.0083	0.9917	0.8195	0.8583	1.398	1.4099	0.9884	0.8195	1.7402	0.8195
myristoleoylcarnitine (C14:1)*	1.2257	0.9487	1	1.1563	0.5242	1.0811	1.0649	0.8933	0.97	1.1734	0.7222
myristoylcarnitine (C14)	0.9773	1.1013	0.9291	1.1362	0.7347	1.1183	1.2067	0.8392	1	1.1709	0.8892
N-behenoyl-sphingadienine (d18:2/22:0)*	0.3311	0.9586	0.567	0.3311	1.2417	1.0347	0.963	1.0376	1.6299	1.3354	0.9653
N-palmitoyl-phytosphingosine (t18:0/16:0)	1.5582	0.8401	0.4111	0.4111	1.8273	0.7658	0.9914	1	1.1786	1.5387	0.4111
N-palmitoyl-sphinganine (d18:0/16:0)	1.9551	1.8144	1	0.8108	1.2189	1.2494	0.8826	0.5814	1.3794	0.8997	0.8353
N-palmitoyl-sphingosine (d18:1/16:0)	0.9359	0.8362	1	0.7828	1.0488	1.0535	0.7836	0.7991	1.1463	1.0138	1.6904
octadecenedioylcarnitine (C18:1-DC)*	3.8815	0.5324	0.8004	0.5324	0.5324	1.0259	1.4033	1	0.5324	0.9769	0.5324
octanoylcarnitine (C8)	1.3531	1.2451	0.9512	1	0.6852	1.0157	0.9914	0.7464	1.0675	1.0204	0.7701
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	0.8852	1.0278	0.8435	0.51	0.9686	1	1.1536	0.9894	2.0208	1.2296	1.5809
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	0.2446	1.0333	0.7355	0.8793	1.005	1.2953	0.9164	0.9281	1.427	1.3259	1
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	0.272	1.0002	0.7511	0.9728	1.0638	1.1553	0.9095	0.9238	1.5001	1.4672	1
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*	0.5466	0.5466	0.8582	0.8848	1.0775	1.5702	0.9225	0.9032	2.0268	3.4611	1.1483
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	0.5741	0.9418	1	0.9639	0.7568	1.2979	0.5741	0.5741	1.2627	2.3289	1.2623
oleoylcarnitine (C18:1)	0.8058	0.9644	1	1.1996	0.8331	1.4336	1.2374	0.9714	1.4079	1.3467	0.9859
oleoylcholine	1.2083	0.595	0.9998	1.4503	0.595	1.712	0.8909	1.6493	0.9329	1.0002	0.7795
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	0.6011	0.7532	0.6011	1.0073	1.1784	0.9527	0.9962	1.0038	1.4034	1.3453	0.6513
palmitoleoylcarnitine (C16:1)*	1.1125	0.9658	0.9272	1.3228	0.5958	1.2232	1.3472	0.9023	1	1.2254	0.9081
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	1.1193	1.0135	0.7924	0.8499	1.0663	1	1.0643	0.8645	1.143	0.957	0.8849
palmitoyl sphingomyelin (d18:1/16:0)	1.0508	0.9349	0.8463	1.1413	1	0.9874	1.0679	0.923	1.2804	0.9862	1.0897
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	0.3846	0.6586	0.5276	1.848	1.0958	2.1719	0.7674	1.734	2.4483	1	0.6503
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	0.2514	1.1395	0.4298	1.0323	1.2464	1.0264	0.8829	1.0334	1	0.7192	0.8967
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	0.3552	0.9927	0.7626	0.3552	1.0073	0.8061	0.3552	1.0255	2.0223	1.0813	0.3552
palmitoylcarnitine (C16)	0.747	1	0.8178	1.1166	0.9677	1.1278	1.2609	0.8253	1.0642	1.2531	0.9437
palmitoylcholine	1.7962	0.317	1.1725	1.3023	0.9523	1.5094	0.8546	1.9217	0.9621	1	0.9316
retinol (Vitamin A)	0.5448	1.1276	0.746	1	1.1747	1.0989	1.2974	0.945	1.01	0.9131	0.4101
sphingadienine	0.6052	0.8009	1.7614	0.6052	1.2591	0.6052	0.6052	1.0878	0.9122	0.8426	8.044
sphinganine	0.8109	1.007	1.577	0.6185	0.8329	0.7613	1.0546	1.0609	0.9403	1	3.5651
sphinganine-1-phosphate	1.2121	1.0075	0.8211	1	0.8721	0.9581	1.2277	0.6712	1.1259	1.0726	0.6512
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	0.8976	1.0118	0.9483	1.0669	0.8772	1.196	1.0746	0.911	1.2096	0.9507	1
sphingomyelin (d18:1/14:0, d16:1/16:0)*	0.7731	1.0721	0.8426	1.0431	1	1.2044	1.0223	0.822	1.2904	0.9826	0.7831
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	0.8569	1.0108	0.6734	0.8163	1.0851	1.0638	1.1536	0.8589	1.3655	1	0.4193
sphingomyelin (d18:1/18:1, d18:2/18:0)	0.7398	1.0386	0.8628	1.0516	1.1269	1.0527	1	0.9457	1.2686	0.9842	0.986
sphingomyelin (d18:1/19:0, d19:1/18:0)*	0.3918	1.0154	0.9011	0.6126	1.1887	1.1977	1.2774	0.726	1.1299	0.9846	0.3918
sphingomyelin (d18:1/20:0, d16:1/22:0)*	0.5119	1.0226	0.8313	0.9507	1.311	1.0918	1.1813	0.9128	1.1968	0.9343	1
sphingomyelin (d18:1/20:1, d18:2/20:0)*	0.6075	1.0024	0.9868	1.2204	0.9208	1	1.2815	0.885	1.4572	0.9561	1.0442
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	0.2428	1.0852	0.7893	0.9902	1.4363	1.2968	1.4041	1	1.2891	0.9732	0.7937
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	0.2542	1.0429	0.6623	1	1.081	1.0073	1.1189	0.7905	1.3664	0.965	0.7902
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	0.3589	1.1696	0.7123	1.131	0.7326	0.9192	1	0.6365	1.5154	1.1096	1.0207
sphingomyelin (d18:1/24:1, d18:2/24:0)*	0.6824	1	0.7588	1.0555	0.9567	1.0289	1.0656	0.8076	1.199	1.1127	0.9176
sphingomyelin (d18:2/14:0, d18:1/14:1)*	0.6989	1.0326	0.6989	0.6989	0.8603	0.9674	1.1872	0.6989	1.2276	0.6989	0.6989
sphingomyelin (d18:2/16:0, d18:1/16:1)*	0.5324	1	0.7097	0.9979	1.1766	1.1438	1.0913	0.8564	1.575	1.1368	0.8766
sphingomyelin (d18:2/18:1)*	0.5042	0.9625	0.8485	0.5042	1.6211	1.2343	1.1655	0.5487	1.4839	1	0.5042
sphingomyelin (d18:2/21:0, d16:2/23:0)*	0.5585	1.1703	0.6537	0.9823	0.6745	1.0804	1.0459	0.5585	1.2765	1.0177	0.8151
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	0.4913	1.0155	0.7867	1	0.7956	1.0631	1.0437	0.7348	1.0307	1.0025	0.7893
sphingomyelin (d18:2/23:1)*	0.7462	1.0715	0.7727	0.9171	0.9793	1.0906	1.1503	1	1.1876	1.2334	0.7355
sphingomyelin (d18:2/24:1, d18:1/24:2)*	0.839	1.0483	0.7602	1.0183	0.8966	0.9883	1.0421	0.7764	1.2936	1.2032	1
sphingomyelin (d18:2/24:2)*	1.5322	0.8272	0.7359	0.9814	1.2757	1	1.3182	1.0369	0.4018	1.0344	0.8787
sphingosine	1	0.9984	1.5144	0.7487	0.8325	0.8001	0.9524	1.3115	1.0674	1.0663	4.7499
stearoyl ethanolamide	1.1918	0.808	0.8709	1	0.9937	1.2677	1.0189	1.0429	0.9787	0.8479	1.0361
stearoyl sphingomyelin (d18:1/18:0)	1.2332	1	0.9143	1.1793	0.9938	0.89	1.0215	0.9301	1.0892	0.9133	1.3261
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*	0.6287	0.6287	0.6287	0.6287	0.8498	0.6287	0.8951	1.1521	0.6287	1.1049	2.201
stearoylcarnitine (C18)	0.6643	0.9202	0.7915	1	0.9904	1.0295	1.016	0.7248	1.1341	1.1869	1.0266
stearoylcholine*	1.8903	0.2332	1.0511	1.1586	0.7741	1.8958	0.9489	1.556	0.2332	0.9342	0.3624
tricosanoyl sphingomyelin (d18:1/23:0)*	0.4672	1.2006	0.8574	0.9904	1.2798	0.9628	1.5696	1.0043	1	1.2268	0.7157
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	SUPER_PATHWAY	SUB_PATHWAY	COMP_ID	PLATFORM	CHEMICAL_ID	RI	MASS	CAS	PUBCHEM	CHEMSPIDER	KEGG	HMDB_ID
1,2-dilinoleoyl-GPC (18:2/18:2)	Lipid	Phosphatidylcholine (PC)	52603	LC/MS Pos Late	100008903	2006	782.56944	998-06-1	5288075	4450312		HMDB08138
1,2-dilinoleoyl-GPE (18:2/18:2)*	Lipid	Phosphatidylethanolamine (PE)	53174	LC/MS Pos Late	100009217	2083	740.52248		9546812	7825762		HMDB09093
1,2-dipalmitoyl-GPC (16:0/16:0)	Lipid	Phosphatidylcholine (PC)	19130	LC/MS Pos Late	100000657	2365	734.56944	63-89-8	452110	398235		HMDB00564
1,2-dipalmitoyl-GPE (16:0/16:0)*	Lipid	Phosphatidylethanolamine (PE)	57341	LC/MS Pos Late	100009204	2498	692.52248		445468	393103		HMDB08923
1-(1-enyl-oleoyl)-GPE (P-18:1)*	Lipid	Lysoplasmalogen	44621	LC/MS Pos Late	100005372	1566	464.3136
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	Lipid	Plasmalogen	52689	LC/MS Pos Late	100009014	2154	766.57452			24767495		HMDB11220
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	Lipid	Plasmalogen	52673	LC/MS Pos Late	100009002	2270	724.52757			24769238		HMDB11352
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	Lipid	Plasmalogen	52682	LC/MS Pos Late	100009009	2226	742.57452			24767486		HMDB11211
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	Lipid	Plasmalogen	52677	LC/MS Pos Late	100009069	2351	700.52757			24769229		HMDB11343
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	Lipid	Plasmalogen	52478	LC/MS Pos Late	100009007	2443	744.59017
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	Lipid	Plasmalogen	52477	LC/MS Pos Late	100009005	2600	702.54322			24769228		HMDB11342
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	Lipid	Plasmalogen	52716	LC/MS Pos Late	100009162	2454	718.57452		11146967	9322076		HMDB11206
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	Lipid	Lysoplasmalogen	52474	LC/MS Pos Late	100002875	1547	480.34485		10917802	9093054		HMDB10407
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	Lipid	Lysoplasmalogen	39270	LC/MS Pos Late	100003000	1558	438.2979			10471193
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	Lipid	Plasmalogen	52475	LC/MS Pos Late	100008999	2511	752.55887		9547058	7826008		HMDB05779
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	Lipid	Plasmalogen	52748	LC/MS Pos Late	100009225	2633	728.55887			24769261		HMDB11376
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	Lipid	Plasmalogen	52614	LC/MS Pos Late	100008919	2950	730.57452	144371-68-6		24769260		HMDB11375
1-(1-enyl-stearoyl)-GPE (P-18:0)*	Lipid	Lysoplasmalogen	39271	LC/MS Pos Late	100003001	1649	466.3292
1-arachidonoyl-GPC (20:4n6)*	Lipid	Lysophospholipid	33228	LC/MS Pos Late	100001551	1460	544.33977			21403155	C05208	HMDB10395
1-arachidonoyl-GPE (20:4n6)*	Lipid	Lysophospholipid	35186	LC/MS Pos Late	100001571	1470	502.29282		42607465	21403171		HMDB11517
1-lignoceroyl-GPC (24:0)	Lipid	Lysophospholipid	49617	LC/MS Pos Late	100002873	1907	608.46497	325171-59-3		24766539		HMDB10405
1-linolenoyl-GPC (18:3)*	Lipid	Lysophospholipid	45951	LC/MS Pos Late	100005350	1410	518.32412					HMDB10388
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	Lipid	Phosphatidylcholine (PC)	52710	LC/MS Pos Late	100009131	1969	806.56944			24766809		HMDB08147
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*	Lipid	Phosphatidylethanolamine (PE)	53189	LC/MS Pos Late	100009222	2030	764.52248			24768565		HMDB09102
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	Lipid	Phosphatidylcholine (PC)	53176	LC/MS Pos Late	100009343	1939	780.55378			24766802		HMDB08141
1-linoleoyl-GPC (18:2)	Lipid	Lysophospholipid	34419	LC/MS Pos Late	100001395	1465	520.33977		11988421	10160888	C04100	HMDB10386
1-linoleoyl-GPE (18:2)*	Lipid	Lysophospholipid	36600	LC/MS Pos Late	100001570	1482	478.29282		52925130	21403170		HMDB11507
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	Lipid	Phosphatidylcholine (PC)	53195	LC/MS Pos Late	100009139	1914	754.53813			24766559		HMDB07883
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	Lipid	Phosphatidylcholine (PC)	19258	LC/MS Pos Late	100000672	2147	706.53813	69525-80-0	129657	114798		HMDB07869
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	Lipid	Phosphatidylethanolamine (PE)	55041	LC/MS Pos Late	100009219	2200	766.53813			24768534		HMDB09069
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*	Lipid	Phosphatidylinositol (PI)	54994	LC/MS Pos Late	100010951	2568	902.57531					HMDB09844
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	Lipid	Phosphatidylcholine (PC)	52697	LC/MS Pos Late	100009130	2011	832.58509			24766785		HMDB08123
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	Lipid	Phosphatidylethanolamine (PE)	53209	LC/MS Pos Late	100009220	2119	790.53813			24768542
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	Lipid	Phosphatidylcholine (PC)	52453	LC/MS Pos Late	100008981	2165	784.58509
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	Lipid	Phosphatidylethanolamine (PE)	52687	LC/MS Pos Late	100009078	2270	742.53813		9546753	7825703		HMDB05349
1-oleoyl-GPC (18:1)	Lipid	Lysophospholipid	48258	LC/MS Pos Late	100001272	1540	522.35542	19420-56-5	16081932	17240641		HMDB02815
1-oleoyl-GPE (18:1)	Lipid	Lysophospholipid	35628	LC/MS Pos Late	100001569	1554	480.30847	89576-29-4	9547071	7826021		HMDB11506
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*	Lipid	Phosphatidylcholine (PC)	53180	LC/MS Pos Late	100009345	1850	754.53813			24766677		HMDB08008
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*	Lipid	Phosphatidylcholine (PC)	52683	LC/MS Pos Late	100009075	2003	756.55378			24766675		HMDB08006
1-palmitoleoyl-GPC (16:1)*	Lipid	Lysophospholipid	33230	LC/MS Pos Late	100001511	1450	494.32412		24779461	21403152		HMDB10383
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	Lipid	Phosphatidylcholine (PC)	52462	LC/MS Pos Late	100008914	2091	782.56944	35418-58-7	10747814	8923140		HMDB07982
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	Lipid	Phosphatidylethanolamine (PE)	52464	LC/MS Pos Late	100008990	2198	740.52248		9546800	7825750		HMDB05323
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	Lipid	Phosphatidylinositol (PI)	52467	LC/MS Pos Late	100008993	2567	876.55966			24767674		HMDB09789
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	Lipid	Phosphatidylcholine (PC)	52454	LC/MS Pos Late	100008985	2199	784.58509
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	Lipid	Phosphatidylcholine (PC)	52610	LC/MS Pos Late	100008915	2023	806.56944	59403-54-2	6441886	4946007		HMDB07991
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	Lipid	Phosphatidylethanolamine (PE)	52465	LC/MS Pos Late	100008991	2119	764.52248		9546799	7825749		HMDB05324
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*	Lipid	Phosphatidylcholine (PC)	54812	LC/MS Pos Late	100009154	2034	756.55378			24766645		HMDB07974
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	Lipid	Phosphatidylcholine (PC)	42446	LC/MS Pos Late	1537	2160	758.56944	40811-94-7	5287971	4450224		HMDB07973
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	Lipid	Phosphatidylethanolamine (PE)	42449	LC/MS Pos Late	100001870	2275	716.52248		9546747	7825697		HMDB05322
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	Lipid	Phosphatidylinositol (PI)	52450	LC/MS Pos Late	1528	2730	852.55966			21403024		HMDB09784
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	Lipid	Phosphatidylcholine (PC)	52461	LC/MS Pos Late	1539	2358	760.58509	26853-31-6;26853-31-6	6436017	4940699		HMDB07972
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	Lipid	Phosphatidylethanolamine (PE)	19263	LC/MS Pos Late	1526	2509	718.53813	26662-94-2	5283496	4446615		HMDB05320
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	Lipid	Phosphatidylcholine (PC)	52470	LC/MS Pos Late	100008984	2160	732.55378					HMDB07969
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	Lipid	Phosphatidylcholine (PC)	52616	LC/MS Pos Late	100008921	2653	762.60074	59403-51-9		24766643		HMDB07970
1-palmitoyl-GPC (16:0)	Lipid	Lysophospholipid	33955	LC/MS Pos Late	100001263	1525	496.33977	17364-16-8	86554	78064		HMDB10382
1-palmitoyl-GPE (16:0)	Lipid	Lysophospholipid	35631	LC/MS Pos Late	100001567	1544	454.29282	53862-35-4	9547069	7826019		HMDB11503
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	Lipid	Phosphatidylcholine (PC)	42450	LC/MS Pos Late	100001869	2300	810.60074	35418-59-8	16219824	17347139		HMDB08048
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	Lipid	Phosphatidylethanolamine (PE)	52447	LC/MS Pos Late	100008977	2424	768.55378		5289133	4451158		HMDB09003
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	Lipid	Phosphatidylinositol (PI)	52449	LC/MS Pos Late	100000616	3000	904.59096	383907-33-3		21403055		HMDB09815
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	Lipid	Phosphatidylcholine (PC)	52611	LC/MS Pos Late	100008916	2197	834.60128	59403-52-0				HMDB08057
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	Lipid	Phosphatidylethanolamine (PE)	52466	LC/MS Pos Late	100008992	2317	792.55378		9546798	7825748		HMDB05334
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	Lipid	Phosphatidylcholine (PC)	52452	LC/MS Pos Late	100008980	2380	786.60074					HMDB08039
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	Lipid	Phosphatidylethanolamine (PE)	52446	LC/MS Pos Late	100008976	2522	744.55378		9546749	7825699		HMDB08994
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	Lipid	Phosphatidylinositol (PI)	52468	LC/MS Pos Late	100008994	3185	880.59096			24767694		HMDB09809
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	Lipid	Phosphatidylcholine (PC)	52438	LC/MS Pos Late	100008904	2644	788.61639	56421-10-4		24766704		HMDB08038
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	Lipid	Phosphatidylethanolamine (PE)	42448	LC/MS Pos Late	100001856	2858	746.56944					HMDB08993
1-stearoyl-GPC (18:0)	Lipid	Lysophospholipid	33961	LC/MS Pos Late	100001271	1606	524.37107	19420-57-6	497299	435389		HMDB10384
1-stearoyl-GPE (18:0)	Lipid	Lysophospholipid	42398	LC/MS Pos Late	100001461	1626	482.32412	69747-55-3	9547068	7826018		HMDB11130
2-aminooctanoate	Lipid	Fatty Acid, Amino	43343	LC/MS Pos Late	100004227	750	160.13321	644-90-6	69522	62727		HMDB00991
3-hydroxydecanoylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	63358	LC/MS Pos Late	100021141	961	332.24315			59664325		HMDB61636
3-hydroxyoleoylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	61840	LC/MS Pos Late	100019801	1406	442.3527			48061587
3-hydroxypalmitoylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	61839	LC/MS Pos Late	100019800	1380	416.33705
5-dodecenoylcarnitine (C12:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	61769	LC/MS Pos Late	100016069	1135	342.26389					HMDB13326
alpha-tocopherol	Cofactors and Vitamins	Tocopherol Metabolism	1561	LC/MS Pos Late	1105	2522	430.37818	59-02-9;10191-41-0	14985	14265	C02477	HMDB01893
arachidonoylcarnitine (C20:4)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57518	LC/MS Pos Late	100015837	1353	448.34215
behenoyl dihydrosphingomyelin (d18:0/22:0)*	Lipid	Dihydrosphingomyelins	57331	LC/MS Pos Late	100009026	3150	789.68441			24846880		HMDB12091
behenoyl sphingomyelin (d18:1/22:0)*	Lipid	Sphingomyelins	48492	LC/MS Pos Late	100006294	3083	787.66876			24846873		HMDB12103
beta-sitosterol	Lipid	Sterol	27414	LC/MS Pos Late	100001033	3054	397.38289	83-46-5	222284	192962	C01753	HMDB00852
bilirubin (E,E)*	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	32586	LC/MS Pos Late	100001950	1045	585.27076		5315454	4474753
bilirubin (Z,Z)	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	43807	LC/MS Pos Late	1090	1840	585.27076	635-65-4	5280352	4444055	C00486	HMDB00054
biliverdin	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	2137	LC/MS Pos Late	250	1016	583.25512	55482-27-4;55482-27-4	5353439	10628548	C00500	HMDB01008
campesterol	Lipid	Sterol	33997	LC/MS Pos Late	100001269	2873	383.36724	474-62-4	173183	151215	C01789	HMDB02869
ceramide (d16:1/24:1, d18:1/22:1)*	Lipid	Ceramides	57437	LC/MS Pos Late	100015727	3850	620.59763
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	Lipid	Ceramides	57440	LC/MS Pos Late	100015755	3920	594.58199
ceramide (d18:2/24:1, d18:1/24:2)*	Lipid	Ceramides	57443	LC/MS Pos Late	100015744	3858	646.6133
cholesterol	Lipid	Sterol	63	LC/MS Pos Late	266	2707	369.35159	57-88-5	11025495	4937803	C00187	HMDB00067
cis-4-decenoylcarnitine (C10:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	38178	LC/MS Pos Late	100002259	1057	314.23259	98930-66-6		28639171
decanoylcarnitine (C10)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	33941	LC/MS Pos Late	100001251	1130	316.24824	1492-27-9	10245190	8420677		HMDB00651
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	Lipid	Diacylglycerol	54966	LC/MS Pos Late	100010940	2733	608.52486
dihomo-linolenoylcarnitine (C20:3n3 or 6)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57521	LC/MS Pos Late	100015840	1392	450.35777
dihomo-linoleoylcarnitine (C20:2)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57520	LC/MS Pos Late	100015839	1436	452.37343
docosahexaenoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	53263	LC/MS Pos Late	100009333	1378	414.33666
eicosenoylcarnitine (C20:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	57519	LC/MS Pos Late	100015838	1484	454.38909
gamma-tocopherol/beta-tocopherol	Cofactors and Vitamins	Tocopherol Metabolism	52473	LC/MS Pos Late	100008998	2384	416.36427
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*	Lipid	Hexosylceramides (HCER)	57457	LC/MS Pos Late	100015730	3373	782.65045
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	Lipid	Hexosylceramides (HCER)	57595	LC/MS Pos Late	100015882	3414	756.6348
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	Lipid	Hexosylceramides (HCER)	57453	LC/MS Pos Late	100015745	3380	808.66609
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	Lipid	Hexosylceramides (HCER)	57421	LC/MS Pos Late	100015625	3420	782.65045
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Hexosylceramides (HCER)	53013	LC/MS Pos Late	100009272	2623	700.5722
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	Lipid	Hexosylceramides (HCER)	52234	LC/MS Pos Late	100001882	3053	728.6035
heme	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	41754	LC/MS Pos Late	100001386	1124	616.1762	14875-96-8	26945		C00032	HMDB03178
hexadecasphingosine (d16:1)*	Lipid	Sphingosines	57428	LC/MS Pos Late	100015723	1289	272.25841			28533427
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**	Lipid	Sphingomyelins	62851	LC/MS Pos Late	100021000	2056	719.56978
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Lactosylceramides (LCER)	53010	LC/MS Pos Late	100009030	2527	862.62502	4201-62-1
laurylcarnitine (C12)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	34534	LC/MS Pos Late	100001392	1235	344.27954	25518-54-1	10427569	8602997		HMDB02250
lignoceroyl sphingomyelin (d18:1/24:0)	Lipid	Sphingomyelins	57330	LC/MS Pos Late	100006298	3437	815.70006	60037-60-7		24846875
lignoceroylcarnitine (C24)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	57515	LC/MS Pos Late	100015834	1603	512.46733
linolenoylcarnitine (C18:3)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57511	LC/MS Pos Late	100015831	1310	422.32649
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	Lipid	Diacylglycerol	54955	LC/MS Pos Late	100010922	2590	658.54051					HMDB07257
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	Lipid	Diacylglycerol	54956	LC/MS Pos Late	100010923	2650	658.54051					HMDB07257
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*	Lipid	Diacylglycerol	54949	LC/MS Pos Late	100010928	2450	682.54051
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*	Lipid	Diacylglycerol	54963	LC/MS Pos Late	100010926	2426	632.52486					HMDB07249
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	Lipid	Diacylglycerol	54964	LC/MS Pos Late	100010927	2478	632.52486					HMDB07250
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	Lipid	Diacylglycerol	54968	LC/MS Pos Late	100010941	2720	634.54051					HMDB07248
linoleoylcarnitine (C18:2)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	46223	LC/MS Pos Late	100003151	1430	424.34214	36816-10-1	6450015	4952667		HMDB06469
linoleoylcholine*	Lipid	Fatty Acid Metabolism (Acyl Choline)	57463	LC/MS Pos Late	100015760	1388	366.33666
margaroylcarnitine (C17)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	57512	LC/MS Pos Late	100004054	1424	414.35779	106182-29-0		35015987		HMDB06210
myristoleoylcarnitine (C14:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	48182	LC/MS Pos Late	100006051	1316	370.29471	889848-55-9	90659872	34999520
myristoylcarnitine (C14)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	33952	LC/MS Pos Late	100001270	1350	372.31084	18822-89-4	6426854	4932274		HMDB05066
N-behenoyl-sphingadienine (d18:2/22:0)*	Lipid	Ceramides	57372	LC/MS Pos Late	100015624	3911	620.59763
N-palmitoyl-phytosphingosine (t18:0/16:0)	Lipid	Ceramides	62881	LC/MS Pos Late	100019761	2632	556.52994		10506988	8682389
N-palmitoyl-sphinganine (d18:0/16:0)	Lipid	Dihydroceramides	52604	LC/MS Pos Late	100009028	3090	540.53503	5966-29-0	5283572	4446685		HMDB11760
N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Ceramides	44877	LC/MS Pos Late	1518	2893	538.51937	24696-26-2	5283564	4446677		HMDB04949
octadecenedioylcarnitine (C18:1-DC)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate)	61865	LC/MS Pos Late	100005996	1180	456.33197	251981-06-3		28639201
octanoylcarnitine (C8)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	33936	LC/MS Pos Late	100001247	950	288.21694	3671-77-0	123701	110274	C02838	HMDB00791
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	Lipid	Diacylglycerol	54961	LC/MS Pos Late	100010937	2990	660.55616					HMDB07228
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	Lipid	Diacylglycerol	46798	LC/MS Pos Late	100002989	3115	636.55616	106292-55-1		23975985		HMDB07219
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	Lipid	Diacylglycerol	46799	LC/MS Pos Late	100002990	3223	636.55616	104346-53-4		29788004		HMDB07219
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*	Lipid	Diacylglycerol	54945	LC/MS Pos Late	100010918	3571	638.57181					HMDB07218
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	Lipid	Diacylglycerol	54946	LC/MS Pos Late	100010919	3695	638.57181					HMDB07218
oleoylcarnitine (C18:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	35160	LC/MS Pos Late	100001501	1423	426.35779	38677-66-6	6441392	21403150		HMDB05065
oleoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	53260	LC/MS Pos Late	100009331	1449	368.35231
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	Lipid	Diacylglycerol	54967	LC/MS Pos Late	100010930	2664	608.52486					HMDB07132
palmitoleoylcarnitine (C16:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	53223	LC/MS Pos Late	100009406	1357	398.32649		71464547	28639183
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	Lipid	Dihydrosphingomyelins	52434	LC/MS Pos Late	100008954	2290	705.5905		9939965	8115586
palmitoyl sphingomyelin (d18:1/16:0)	Lipid	Sphingomyelins	37506	LC/MS Pos Late	100002107	2168	703.57485	6254-89-3	9939941	8115562
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	Lipid	Diacylglycerol	52633	LC/MS Pos Late	100009052	3080	610.54051		9543695	7822645		HMDB07103
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	Lipid	Diacylglycerol	52634	LC/MS Pos Late	100009055	3197	610.54051					HMDB07103
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	Lipid	Diacylglycerol	54942	LC/MS Pos Late	100010917	3695	612.55616				C13861	HMDB07102
palmitoylcarnitine (C16)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	44681	LC/MS Pos Late	100000776	1425	400.34214	6865-14-1	461	448	C02990	HMDB00222
palmitoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	52944	LC/MS Pos Late	100009233	1482	342.33666		151731	133731
retinol (Vitamin A)	Cofactors and Vitamins	Vitamin A Metabolism	1806	LC/MS Pos Late	498	1636	269.22639	68-26-8	445354	393012	C00473	HMDB00305
sphingadienine	Lipid	Sphingolipid Synthesis	57426	LC/MS Pos Late	100015643	1350	298.27406	25696-03-1	6449795	4952479
sphinganine	Lipid	Sphingolipid Synthesis	17769	LC/MS Pos Late	313	1413	302.30536	3102-56-5	3126	3014	C00836	HMDB00269
sphinganine-1-phosphate	Lipid	Sphingolipid Synthesis	52605	LC/MS Pos Late	100001876	1431	382.27169	19794-97-9	520	505		HMDB01383
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	Lipid	Sphingomyelins	52433	LC/MS Pos Late	100006314	2082	689.5592	121999-58-4		28532779
sphingomyelin (d18:1/14:0, d16:1/16:0)*	Lipid	Sphingomyelins	42463	LC/MS Pos Late	100004328	1998	675.54355		11433862	9608732		HMDB12097
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	Lipid	Sphingomyelins	52615	LC/MS Pos Late	100008920	2312	717.5905	121999-64-2
sphingomyelin (d18:1/18:1, d18:2/18:0)	Lipid	Sphingomyelins	37529	LC/MS Pos Late	100002106	2167	729.5905	108392-10-5	6443882	4947837		HMDB12101
sphingomyelin (d18:1/19:0, d19:1/18:0)*	Lipid	Sphingomyelins	57475	LC/MS Pos Late	100015787	2330	745.62178
sphingomyelin (d18:1/20:0, d16:1/22:0)*	Lipid	Sphingomyelins	48490	LC/MS Pos Late	100006290	2685	759.6375			23113477		HMDB12102
sphingomyelin (d18:1/20:1, d18:2/20:0)*	Lipid	Sphingomyelins	48491	LC/MS Pos Late	100006292	2383	757.6218	222403-67-0
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	Lipid	Sphingomyelins	52495	LC/MS Pos Late	100009025	2793	773.65311
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	Lipid	Sphingomyelins	48493	LC/MS Pos Late	100006295	2666	785.65311			29368329		HMDB12104
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	Lipid	Sphingomyelins	57477	LC/MS Pos Late	100006296	2209	783.63746
sphingomyelin (d18:1/24:1, d18:2/24:0)*	Lipid	Sphingomyelins	47153	LC/MS Pos Late	100005986	3033	813.68441	94359-13-4		24846874		HMDB12107
sphingomyelin (d18:2/14:0, d18:1/14:1)*	Lipid	Sphingomyelins	47154	LC/MS Pos Late	100005985	1860	673.5279
sphingomyelin (d18:2/16:0, d18:1/16:1)*	Lipid	Sphingomyelins	42459	LC/MS Pos Late	100004329	2002	701.5592
sphingomyelin (d18:2/18:1)*	Lipid	Sphingomyelins	57474	LC/MS Pos Late	100015788	1904	727.57485
sphingomyelin (d18:2/21:0, d16:2/23:0)*	Lipid	Sphingomyelins	57480	LC/MS Pos Late	100015790	2330	771.63748
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	Lipid	Sphingomyelins	52435	LC/MS Pos Late	100008956	2845	799.66868
sphingomyelin (d18:2/23:1)*	Lipid	Sphingomyelins	57482	LC/MS Pos Late	100015791	2315	797.65308
sphingomyelin (d18:2/24:1, d18:1/24:2)*	Lipid	Sphingomyelins	52437	LC/MS Pos Late	100008957	2635	811.66868
sphingomyelin (d18:2/24:2)*	Lipid	Sphingomyelins	57479	LC/MS Pos Late	100015789	2215	809.65308
sphingosine	Lipid	Sphingosines	17747	LC/MS Pos Late	297	1393	300.28971	123-78-4	5353955	4510275	C00319	HMDB00252
stearoyl ethanolamide	Lipid	Endocannabinoid	38625	LC/MS Pos Late	100002254	1787	328.32101	111-57-9	27902	25958		HMDB13078
stearoyl sphingomyelin (d18:1/18:0)	Lipid	Sphingomyelins	19503	LC/MS Pos Late	1538	2400	731.60615	85187-10-6;85187-10-6	6453725	4956085	C00550	HMDB01348
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*	Lipid	Diacylglycerol	57450	LC/MS Pos Late	100010949	3404	662.57181
stearoylcarnitine (C18)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	34409	LC/MS Pos Late	100001391	1485	428.37344	18822-91-8	6426855	21233653		HMDB00848
stearoylcholine*	Lipid	Fatty Acid Metabolism (Acyl Choline)	57464	LC/MS Pos Late	100015759	1520	370.36797
tricosanoyl sphingomyelin (d18:1/23:0)*	Lipid	Sphingomyelins	52436	LC/MS Pos Late	100008955	3200	801.68441					HMDB12105
METABOLITES_END
#END