#METABOLOMICS WORKBENCH gmpagnotti_20251021_165800 DATATRACK_ID:6581 STUDY_ID:ST004315 ANALYSIS_ID:AN007185 PROJECT_ID:PR002730
VERSION             	1
CREATED_ON             	October 27, 2025, 10:03 pm
#PROJECT
PR:PROJECT_TITLE                 	Determining the effect of low intensity vibration on bone and fat metabolism in
PR:PROJECT_TITLE                 	young female mice under complete estrogen deprivation.
PR:PROJECT_SUMMARY               	The goals of the project were to quantify the effect of complete estrogen
PR:PROJECT_SUMMARY               	deprivation with or without the 28 weeks of loading intervention on
PR:PROJECT_SUMMARY               	acylcarnitine species in female mice.
PR:INSTITUTE                     	Indiana University School of Medicine
PR:DEPARTMENT                    	Medicine
PR:LAST_NAME                     	Pagnotti
PR:FIRST_NAME                    	Gabriel M
PR:ADDRESS                       	908 west walnut street, Indianapolis, IN 46202
PR:EMAIL                         	gmpagnotti@mdanderson.org
PR:PHONE                         	407 492 8152
#STUDY
ST:STUDY_TITLE                   	Low Intensity Vibration Reduces Acylcarnitine Species as Derived from the
ST:STUDY_TITLE                   	Circulation in Estrogen Deprived Female Mice
ST:STUDY_SUMMARY                 	Aromatase inhibitors are widely used in the treatment of hormone-sensitive
ST:STUDY_SUMMARY                 	breast cancer, but their suppression of estrogen production accelerates bone
ST:STUDY_SUMMARY                 	loss, increases fracture risk, and negatively impacts fat metabolism. This study
ST:STUDY_SUMMARY                 	utilized C57bl/6 mice under complete estrogen deprivation to quantify its
ST:STUDY_SUMMARY                 	effects on bone and circulating acylcarnitine metabolites. Metabolites were
ST:STUDY_SUMMARY                 	measured from whole blood and measured via tandem mass spectrometry. Here, we
ST:STUDY_SUMMARY                 	demonstrate that, while C2, C4/Ci4, C6, and C24:2 acylcarnitine metabolites
ST:STUDY_SUMMARY                 	increased after 24weeks of complete estrogen deprivation, daily low intensity
ST:STUDY_SUMMARY                 	vibration reduced circulating C2, C4/Ci4 and C6 in skeletally immature, female
ST:STUDY_SUMMARY                 	mice under complete estrogen deprivation. These findings support the proposed
ST:STUDY_SUMMARY                 	hypothesis that low intensity vibration reduces skeletal frailty in this
ST:STUDY_SUMMARY                 	population of mice and regulates the amount of acyl carnitines in the
ST:STUDY_SUMMARY                 	circulation.
ST:INSTITUTE                     	Indiana University School of Medicine
ST:LAST_NAME                     	Pagotti
ST:FIRST_NAME                    	Gabriel M.
ST:ADDRESS                       	6565 MD Anderson blvd
ST:EMAIL                         	gmpagnotti@mdanderson.org
ST:PHONE                         	4074928152
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	n/a
SU:AGE_OR_AGE_RANGE              	4w-28w
SU:GENDER                        	Female
SU:ANIMAL_ANIMAL_SUPPLIER        	Envigo
SU:ANIMAL_HOUSING                	5/cage
SU:ANIMAL_FEED                   	ad libitum
SU:ANIMAL_WATER                  	ad libitum
#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           	-	BL1P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A055
SUBJECT_SAMPLE_FACTORS           	-	BL2P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A056
SUBJECT_SAMPLE_FACTORS           	-	BL3P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A057
SUBJECT_SAMPLE_FACTORS           	-	BL4P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A058
SUBJECT_SAMPLE_FACTORS           	-	BL5P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A059
SUBJECT_SAMPLE_FACTORS           	-	BL6P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A060
SUBJECT_SAMPLE_FACTORS           	-	BL7P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A061
SUBJECT_SAMPLE_FACTORS           	-	BL8P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A062
SUBJECT_SAMPLE_FACTORS           	-	BL9P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A063
SUBJECT_SAMPLE_FACTORS           	-	BL10P	Group:Baseline | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A064
SUBJECT_SAMPLE_FACTORS           	-	P1	Group:P(1) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A065
SUBJECT_SAMPLE_FACTORS           	-	P2	Group:P(1) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A066
SUBJECT_SAMPLE_FACTORS           	-	P3	Group:P(1) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A067
SUBJECT_SAMPLE_FACTORS           	-	P4	Group:P(1) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A068
SUBJECT_SAMPLE_FACTORS           	-	P5	Group:P(1) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A069
SUBJECT_SAMPLE_FACTORS           	-	P11	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A070
SUBJECT_SAMPLE_FACTORS           	-	P12	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A071
SUBJECT_SAMPLE_FACTORS           	-	P13	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A072
SUBJECT_SAMPLE_FACTORS           	-	P14	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A073
SUBJECT_SAMPLE_FACTORS           	-	P15	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A074
SUBJECT_SAMPLE_FACTORS           	-	P16	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A075
SUBJECT_SAMPLE_FACTORS           	-	P17	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A076
SUBJECT_SAMPLE_FACTORS           	-	P18	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A077
SUBJECT_SAMPLE_FACTORS           	-	P19	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A078
SUBJECT_SAMPLE_FACTORS           	-	P20	Group:P(2) | Sample source:Serum	RAW_FILE_NAME(raw file name)=MONTE_WILLIS_102318_AC_A079
#COLLECTION
CO:COLLECTION_SUMMARY            	Whole blood was collected from intracardiac exsanguination under isoflurane
CO:COLLECTION_SUMMARY            	anesthesia at euthanasia. Centrifuged to separate red blood cell fraction from
CO:COLLECTION_SUMMARY            	serum and stored at -80C.
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	P(1) refers to estrogen deprivation + sham low intensity vibration (frequency =
TR:TREATMENT_SUMMARY             	0Hz; magnitude = 0.0g; 20min per day). P(2) refers to estrogen deprivation + low
TR:TREATMENT_SUMMARY             	intensity vibration (proprietary). Whole blood collected at euthanasia via
TR:TREATMENT_SUMMARY             	cardiac puncture was centrifuged to separate red blood cell fraction from serum,
TR:TREATMENT_SUMMARY             	which was then stored at -80C.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Tissue homogenates prepared at 50 mg/ml in 50% acetonitrile/0.3% formic acid and
SP:SAMPLEPREP_SUMMARY            	serum samples were spiked with a cocktail of heavy-isotope internal standards
SP:SAMPLEPREP_SUMMARY            	(Cambridge Isotope Laboratories, MA, USA; CDN Isotopes, Canada) and
SP:SAMPLEPREP_SUMMARY            	deproteinated with methanol. The supernatants were dried and esterified with
SP:SAMPLEPREP_SUMMARY            	acidified methanol.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	none
CH:COLUMN_NAME                   	none
CH:SOLVENT_A                     	none
CH:SOLVENT_B                     	none
CH:FLOW_GRADIENT                 	none
CH:FLOW_RATE                     	none
CH:COLUMN_TEMPERATURE            	none
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Xevo-TQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Mass spectra for acylcarnitines were obtained in the positive mode using a
MS:MS_COMMENTS                   	precursor ion scan of m/z 99. The spectra were acquired in a multi-channel
MS:MS_COMMENTS                   	analyzer (MCA) mode to improve signal-to-noise. The data were generated using a
MS:MS_COMMENTS                   	Waters Xevo TQD mass spectrometer equipped with AcquityTM UPLC system and a data
MS:MS_COMMENTS                   	system controlled by MassLynx 4.1 operating system (Waters, Milford, MA). Ion
MS:MS_COMMENTS                   	ratios of analyte to respective internal standard computed from centroided
MS:MS_COMMENTS                   	spectra were converted to concentrations using calibrators constructed from
MS:MS_COMMENTS                   	authentic aliphatic acylcarnitines (Sigma, MO, USA; Larodan Sweden) and dialyzed
MS:MS_COMMENTS                   	fetal bovine serum (Sigma, MO, USA).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM
MS_METABOLITE_DATA_START
Samples	BL1P	BL2P	BL3P	BL4P	BL5P	BL6P	BL7P	BL8P	BL9P	BL10P	P1	P2	P3	P4	P5	P11	P12	P13	P14	P15	P16	P17	P18	P19	P20
Factors	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:Baseline | Sample source:Serum	Group:P(1) | Sample source:Serum	Group:P(1) | Sample source:Serum	Group:P(1) | Sample source:Serum	Group:P(1) | Sample source:Serum	Group:P(1) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum	Group:P(2) | Sample source:Serum
CAR 2:0	20.989455	16.083235	15.307198	16.161360	15.656154	13.864499	22.135282	23.390482	22.286322	21.656118	21.781117	26.593588	32.989382	33.525837	32.671676	22.119657	19.484256	19.223841	20.176960	17.031146	24.791515	29.744610	24.765474	15.937403	33.218547
CAR 3:0	0.527119	0.417238	0.411536	0.325497	0.281441	0.376810	0.487209	0.720966	0.449891	0.373700	0.937100	0.950058	0.493947	0.709045	0.961460	0.981156	2.205917	1.735812	0.911185	0.720966	0.993595	0.971827	0.598645	0.521417	0.683129
CAR 4:0	0.352126	0.214445	0.316963	0.335782	0.309534	0.209492	0.210978	0.257532	0.485844	0.474453	0.903839	1.301528	1.114817	1.188610	2.239044	1.004375	2.094429	1.165333	0.661164	0.671565	1.800744	0.971193	1.085597	0.824598	1.125713
CAR 5:1	0.134392	0.177187	0.136644	0.185446	0.098354	0.123130	0.156165	0.168177	0.205717	0.216228	0.202714	0.219982	0.195957	0.183193	0.171931	0.305572	0.219231	0.206468	0.147155	0.111868	0.338607	0.142650	0.197458	0.131389	0.117874
CAR 5:0	0.216228	0.140398	0.196707	0.122379	0.132890	0.096101	0.156916	0.195206	0.226739	0.257522	0.199711	0.136644	0.132890	0.153912	0.189950	0.116373	0.230493	0.159919	0.173433	0.084839	0.113370	0.165925	0.129136	0.114871	0.178688
CAR 4:0;OH	0.129136	0.114120	0.067571	0.098354	0.083338	0.048801	0.174184	0.102108	0.117874	0.150909	0.153162	0.122379	0.225238	0.300317	0.442216	0.051054	0.117124	0.060063	0.100606	0.079584	0.202714	0.272537	0.123130	0.072827	0.329598
CAR 6:0	0.000000	0.000000	0.034208	0.036144	0.000000	0.016136	0.025817	0.000000	0.000000	0.000000	0.062606	0.101332	0.081324	0.120695	0.212346	0.076160	0.121986	0.048407	0.042598	0.000000	0.089069	0.078742	0.105205	0.041307	0.127149
CAR DC3:0/CAR 5:0;OH [Methyl esters]	0.128440	0.128440	0.073579	0.091651	0.098750	0.070352	0.112304	0.085196	0.109077	0.122631	0.094232	0.072288	0.098105	0.076160	0.092296	0.034853	0.081969	0.068415	0.101332	0.050343	0.116822	0.080033	0.069706	0.060025	0.070352
CAR DC4:0/CAR DC3:0;2Me [Methyl esters]	0.029431	0.031767	0.019154	0.021957	0.010278	0.016818	0.043446	0.032701	0.036439	0.036439	0.024292	0.026628	0.027095	0.038774	0.035504	0.034570	0.034103	0.028030	0.017752	0.044380	0.036906	0.028964	0.047651	0.065403	0.065403
CAR 8:1	0.023358	0.010278	0.012146	0.007942	0.014482	0.008409	0.010278	0.020088	0.008876	0.021489	0.023825	0.027095	0.016351	0.008876	0.012613	0.014949	0.014482	0.021957	0.024760	0.079418	0.014949	0.021489	0.010745	0.025227	0.021957
CAR 8:0	0.020555	0.000000	0.015884	0.017752	0.011212	0.014482	0.014949	0.000000	0.019154	0.021022	0.017752	0.023825	0.015884	0.006540	0.045782	0.008876	0.017285	0.007942	0.018219	0.007007	0.022424	0.023825	0.009810	0.009343	0.028497
CAR DC5:0	0.056994	0.051855	0.000000	0.040643	0.033636	0.041577	0.056059	0.047651	0.042512	0.050921	0.046249	0.034103	0.065403	0.028964	0.044380	0.000000	0.077082	0.053256	0.028964	0.037840	0.042512	0.053724	0.039709	0.038774	0.047651
CAR DC6:1/CAR 8:1;OH [Methyl esters]	0.016125	0.006365	0.011033	0.016550	0.014004	0.000000	0.008487	0.009760	0.011457	0.010184	0.005517	0.006790	0.020369	0.011457	0.014428	0.012306	0.013155	0.019096	0.012306	0.008487	0.014428	0.020793	0.008487	0.007638	0.006365
CAR DC6:0/CAR 8:0;OH [Methyl esters]	0.022066	0.014428	0.028432	0.019520	0.018247	0.027583	0.019096	0.016550	0.021642	0.024612	0.019520	0.024188	0.053468	0.020793	0.012306	0.015701	0.032675	0.017398	0.022066	0.017823	0.027158	0.033948	0.017823	0.009760	0.025461
CAR 10:3	0.021218	0.019520	0.031402	0.025885	0.028856	0.013579	0.028856	0.034372	0.016125	0.014852	0.040313	0.032675	0.023339	0.040313	0.052195	0.036494	0.055590	0.049225	0.021218	0.024188	0.051346	0.022491	0.064077	0.016974	0.031826
CAR 10:2	0.000000	0.003395	0.004668	0.074261	0.006365	0.005517	0.006365	0.002546	0.005517	0.013155	0.012731	0.012731	0.023764	0.008911	0.009760	0.019096	0.007214	0.007638	0.007214	0.011882	0.016125	0.014004	0.013155	0.013155	0.005517
CAR 10:1	0.000000	0.018247	0.011457	0.013579	0.007214	0.008487	0.022491	0.000000	0.016550	0.010609	0.018247	0.020793	0.033524	0.034372	0.031826	0.031826	0.042859	0.017398	0.017398	0.016974	0.036070	0.009760	0.028432	0.000000	0.024612
CAR 10:0	0.000000	0.016125	0.019096	0.023339	0.020793	0.039465	0.022066	0.014852	0.020369	0.014004	0.040738	0.031402	0.028007	0.000000	0.048376	0.000000	0.016125	0.039889	0.039040	0.000000	0.023764	0.016125	0.000000	0.000000	0.054741
CAR DC7:0	0.015701	0.024612	0.019096	0.078505	0.000000	0.015701	0.024612	0.000000	0.008911	0.036919	0.030978	0.009336	0.000000	0.037343	0.011882	0.000000	0.042435	0.000000	0.000000	0.000000	0.000000	0.022491	0.000000	0.000000	0.000000
CAR DC8:1	0.006294	0.008741	0.002797	0.010489	0.005594	0.009091	0.012937	0.007692	0.010140	0.006294	0.010839	0.004196	0.006993	0.007692	0.009091	0.005944	0.008741	0.020280	0.005944	0.006294	0.008741	0.014336	0.009441	0.005245	0.011538
CAR DC8:0/CAR 10:0;OH [Methyl esters]	0.017832	0.016434	0.018881	0.010140	0.014685	0.013986	0.015734	0.017832	0.010839	0.021678	0.009091	0.004895	0.019231	0.019580	0.031818	0.009091	0.012937	0.010489	0.012587	0.007343	0.014336	0.013636	0.011888	0.012587	0.035315
CAR 12:1	0.020280	0.012937	0.009091	0.012587	0.073077	0.009441	0.010140	0.000000	0.011538	0.009091	0.015385	0.020979	0.036014	0.037413	0.025874	0.020280	0.040559	0.012238	0.022028	0.015035	0.033217	0.015385	0.015385	0.009790	0.025175
CAR 12:0	0.017482	0.016434	0.016783	0.022727	0.021329	0.063287	0.030420	0.006643	0.016434	0.019930	0.013986	0.016434	0.028671	0.023077	0.041608	0.020629	0.026573	0.010140	0.016434	0.018182	0.021678	0.024475	0.031818	0.017133	0.028671
CAR DC10:0/CAR 12:0;OH [Methyl esters]	0.008867	0.005067	0.002533	0.003800	0.003800	0.003800	0.002533	0.006334	0.003800	0.008867	0.011401	0.006334	0.012667	0.005067	0.011401	0.006334	0.005067	0.006334	0.003800	0.008867	0.007600	0.008867	0.002533	0.003800	0.008867
CAR 14:2	0.017734	0.015201	0.012667	0.010134	0.006334	0.010134	0.015201	0.010134	0.010134	0.005067	0.010134	0.013934	0.029135	0.024068	0.030402	0.025335	0.013934	0.027868	0.011401	0.008867	0.026602	0.030402	0.032935	0.019001	0.030402
CAR 14:1	0.020268	0.058270	0.030402	0.008867	0.020268	0.027868	0.027868	0.013934	0.027868	0.012667	0.035469	0.050670	0.068404	0.057003	0.088672	0.043069	0.045603	0.036735	0.019001	0.016468	0.126674	0.053203	0.048136	0.025335	0.045603
CAR 14:0	0.060803	0.072204	0.035469	0.040536	0.040536	0.062070	0.077271	0.045603	0.043069	0.044336	0.036735	0.045603	0.032935	0.058270	0.073471	0.032935	0.046869	0.040536	0.030402	0.030402	0.072204	0.045603	0.044336	0.030402	0.053203
CAR DC12:1/CAR 14:1;OH [Methyl esters]	0.015201	0.011401	0.007600	0.012667	0.008867	0.012667	0.015201	0.017734	0.003800	0.012667	0.011401	0.011401	0.019001	0.017734	0.015201	0.017734	0.019001	0.015201	0.011401	0.007600	0.020268	0.010134	0.016468	0.008867	0.012667
CAR DC12:0/CAR 14:0;OH [Methyl esters]	0.011401	0.012667	0.010134	0.010134	0.006334	0.005067	0.011401	0.012667	0.011401	0.011401	0.022801	0.016468	0.006334	0.010134	0.011401	0.010134	0.013934	0.003800	0.007600	0.005067	0.025335	0.012667	0.006334	0.010134	0.010134
CAR 16:2	0.012738	0.013717	0.008818	0.005879	0.010778	0.006859	0.015677	0.013717	0.017637	0.005879	0.002939	0.016657	0.027435	0.023515	0.034293	0.023515	0.015677	0.012738	0.008818	0.000000	0.041152	0.011758	0.020576	0.000000	0.030374
CAR 16:1	0.020576	0.039192	0.018616	0.014697	0.023515	0.026455	0.039192	0.027435	0.017637	0.022536	0.028414	0.036253	0.041152	0.061728	0.062708	0.034293	0.040172	0.030374	0.015677	0.013717	0.086223	0.043112	0.040172	0.028414	0.066627
CAR 16:0	0.200861	0.197921	0.133254	0.147951	0.124436	0.161668	0.218497	0.185184	0.093082	0.134234	0.100920	0.124436	0.174406	0.150890	0.153830	0.106799	0.135214	0.081324	0.068587	0.083284	0.178325	0.141092	0.135214	0.086223	0.207719
CAR DC14:1/CAR 16:1;OH [Methyl esters]	0.013717	0.010778	0.008818	0.007838	0.006859	0.009798	0.018616	0.017637	0.007838	0.011758	0.010778	0.015677	0.025475	0.016657	0.012738	0.021556	0.016657	0.010778	0.007838	0.004899	0.021556	0.013717	0.008818	0.010778	0.018616
CAR DC14:0/CAR 16:0;OH [Methyl esters]	0.009798	0.017637	0.008818	0.013717	0.010778	0.016657	0.018616	0.012738	0.013717	0.008818	0.013717	0.016657	0.018616	0.008818	0.010778	0.011758	0.007838	0.012738	0.004899	0.004899	0.025475	0.010778	0.006859	0.008818	0.010778
CAR 18:2	0.074242	0.076802	0.048641	0.065708	0.058028	0.055468	0.060588	0.050348	0.037548	0.036694	0.064855	0.075095	0.118617	0.093869	0.118617	0.075095	0.084482	0.052055	0.046081	0.059735	0.145071	0.088749	0.081922	0.047788	0.120323
CAR 18:1	0.104963	0.103256	0.053761	0.075949	0.075095	0.102403	0.145924	0.062295	0.050348	0.072535	0.095576	0.116910	0.174085	0.134830	0.198832	0.151898	0.142511	0.077655	0.047788	0.053761	0.209926	0.133977	0.119470	0.065708	0.186885
CAR 18:0	0.052055	0.069122	0.045228	0.044375	0.060588	0.038401	0.048641	0.037548	0.039254	0.031574	0.025601	0.035841	0.036694	0.036694	0.043521	0.034988	0.050348	0.022187	0.020481	0.024747	0.064855	0.033281	0.031574	0.019627	0.050348
CAR DC16:2/CAR 18:2;OH [Methyl esters]	0.012800	0.012800	0.007680	0.010240	0.012800	0.007680	0.013654	0.005120	0.022187	0.009387	0.010240	0.005973	0.002560	0.012800	0.008534	0.018774	0.013654	0.010240	0.011947	0.012800	0.015360	0.017920	0.006827	0.017920	0.011947
CAR DC16:1/CAR 18:1;OH [Methyl esters]	0.010240	0.010240	0.012800	0.009387	0.005120	0.012800	0.018774	0.014507	0.011094	0.011947	0.017920	0.020481	0.017920	0.016214	0.017067	0.017067	0.020481	0.011094	0.011094	0.005973	0.021334	0.011947	0.014507	0.008534	0.017067
CAR DC16:0/CAR 18:0;OH [Methyl esters]	0.015360	0.011094	0.011947	0.011947	0.007680	0.015360	0.021334	0.014507	0.008534	0.007680	0.014507	0.010240	0.020481	0.017067	0.012800	0.011094	0.020481	0.014507	0.011947	0.006827	0.022187	0.020481	0.013654	0.011094	0.013654
CAR 20:4	0.021334	0.023041	0.012800	0.017920	0.013654	0.011947	0.025601	0.017920	0.014507	0.017067	0.012800	0.027307	0.030721	0.024747	0.029014	0.029867	0.026454	0.023894	0.011947	0.017067	0.046081	0.023041	0.028161	0.017920	0.026454
CAR 20:0	0.004267	0.039254	0.008534	0.005973	0.004267	0.004267	0.010240	0.001707	0.004267	0.007680	0.005120	0.006827	0.003413	0.005973	0.005120	0.004267	0.008534	0.003413	0.003413	0.002560	0.004267	0.005120	0.005120	0.009387	0.005973
CAR DC18:1/CAR 20:1;OH [Methyl esters]	0.006827	0.008534	0.003413	0.006827	0.005120	0.009387	0.011947	0.008534	0.006827	0.006827	0.008534	0.012800	0.022187	0.010240	0.005973	0.005973	0.008534	0.009387	0.007680	0.006827	0.034988	0.006827	0.009387	0.005120	0.006827
CAR DC18:0/CAR 20:0;OH [Methyl esters]	0.002560	0.004267	0.005120	0.001707	0.004267	0.005120	0.005973	0.005973	0.005973	0.004267	0.004267	0.005120	0.002560	0.002560	0.002560	0.005120	0.004267	0.000853	0.000853	0.000000	0.002560	0.002560	0.005120	0.002560	0.002560
CAR 22:0	0.001707	0.001707	0.003413	0.003413	0.003413	0.002560	0.002560	0.009387	0.002560	0.005120	0.003413	0.002560	0.002560	0.003413	0.005973	0.004267	0.005973	0.003413	0.004267	0.005120	0.000000	0.004267	0.003413	0.010240	0.005120
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	neutral_mass	KEGG ID	Pubchem CID	HMDB ID
CAR 2:0	C9H17NO4	203.1158	C02571	18230	HMDB0240771
CAR 3:0	C10H19NO4	217.1314	C03017	188824	HMDB0062514
CAR 4:0	C11H21NO4	231.1471	C02862	213144	HMDB0002013
CAR 5:1	C12H21NO4	243.1471	NA	NA	NA
CAR 5:0	C12H23NO4	245.1627	NA	53481619	HMDB0013128
CAR 4:0;OH	C11H21NO5	247.142	NA	NA	NA
CAR 6:0	C13H25NO4	259.1784	NA	3246938	HMDB0000756
CAR DC3:0/CAR 5:0;OH [Methyl esters]	C10H17NO6/C12H23NO5	247.105589/261.157624	NA	22833583/NA	HMDB0002095/NA
CAR DC4:0/CAR DC3:0;2Me [Methyl esters]	C11H19NO6/C11H19NO6	261.121239/261.121239	NA	71464481/53481628	HMDB0061717/HMDB0013133
CAR 8:1	C15H27NO4	285.194	NA	NA	NA
CAR 8:0	C15H29NO4	287.2097	C02838	11953814	HMDB0000791
CAR DC5:0	C12H21NO6	275.1369	NA	53481622	HMDB0013130
CAR DC6:1/CAR 8:1;OH [Methyl esters]	C13H21NO6/C15H27NO5	287.136889/301.188924	NA	NA	NA
CAR DC6:0/CAR 8:0;OH [Methyl esters]	C13H23NO6/C15H29NO5	289.152539/303.204574	NA	71296139/NA	HMDB0061677/NA
CAR 10:3	C17H27NO4	309.194	NA	NA	NA
CAR 10:2	C17H29NO4	311.2097	NA	NA	NA
CAR 10:1	C17H31NO4	313.2253	NA	NA	NA
CAR 10:0	C17H33NO4	315.241	C03299	11953821	HMDB0000651
CAR DC7:0	C14H25NO6	303.1682	NA	91825640	HMDB0013328
CAR DC8:1	C15H25NO6	315.1682	NA	NA	NA
CAR DC8:0/CAR 10:0;OH [Methyl esters]	C15H27NO6/C17H33NO5	317.183839/331.235874	NA	71752223/NA	NA
CAR 12:1	C19H35NO4	341.2566	NA	NA	NA
CAR 12:0	C19H37NO4	343.2723	NA	168381	HMDB0002250
CAR DC10:0/CAR 12:0;OH [Methyl esters]	C17H31NO6/C19H37NO5	345.215139/359.267174	NA	NA	NA
CAR 14:2	C21H37NO4	367.2723	NA	NA	NA
CAR 14:1	C21H39NO4	369.2879	NA	NA	NA
CAR 14:0	C21H41NO4	371.3036	NA	53477791	HMDB0005066
CAR DC12:1/CAR 14:1;OH [Methyl esters]	C19H33NO6/C21H39NO5	371.230789/385.282824	NA	NA	NA
CAR DC12:0/CAR 14:0;OH [Methyl esters]	C19H35NO6/C21H41NO5	373.246439/387.298474	NA	145720503/NA	HMDB0013327/NA
CAR 16:2	C23H41NO4	395.3036	NA	NA	NA
CAR 16:1	C23H43NO4	397.3192	NA	NA	NA
CAR 16:0	C23H45NO4	399.3349	C02990	11953816	HMDB0000222
CAR DC14:1/CAR 16:1;OH [Methyl esters]	C21H37NO6/C23H43NO5	399.262089/413.314124	NA	NA	NA
CAR DC14:0/CAR 16:0;OH [Methyl esters]	C21H39NO6/C23H45NO5	401.277739/415.329774	NA	145720507/NA	NA
CAR 18:2	C25H45NO4	423.3349	NA	NA	NA
CAR 18:1	C25H47NO4	425.3505	NA	NA	NA
CAR 18:0	C25H49NO4	427.3662	NA	52922056	HMDB0000848
CAR DC16:2/CAR 18:2;OH [Methyl esters]	C23H39NO6/C25H45NO5	425.277739/439.329774	NA	NA	NA
CAR DC16:1/CAR 18:1;OH [Methyl esters]	C23H41NO6/C25H47NO5	427.293389/441.345424	NA	NA	NA
CAR DC16:0/CAR 18:0;OH [Methyl esters]	C23H43NO6/C25H49NO5	429.309039/443.361074	NA	NA	NA
CAR 20:4	C31H54NO4	447.3349	NA	NA	NA
CAR 20:0	C27H53NO4	455.3975	NA	53477833	HMDB0006460
CAR DC18:1/CAR 20:1;OH [Methyl esters]	C25H45NO6/C27H51NO5	455.324689/469.376724	NA	NA	NA
CAR DC18:0/CAR 20:0;OH [Methyl esters]	C25H47NO6/C27H53NO5	457.340339/471.392374	NA	145720513/NA	NA
CAR 22:0	C29H57NO4	483.4288	NA	71464577	HMDB0062468
METABOLITES_END
#END