#METABOLOMICS WORKBENCH CUIG2022_20230912_012710 DATATRACK_ID:4307 STUDY_ID:ST002870 ANALYSIS_ID:AN004704 PROJECT_ID:PR001793
VERSION             	1
CREATED_ON             	September 20, 2023, 12:38 am
#PROJECT
PR:PROJECT_TITLE                 	A carbon-nitrogen negative feedback loop underlies the repeated evolution of
PR:PROJECT_TITLE                 	cnidarian-Symbiodiniaceae symbioses across >700 Myr
PR:PROJECT_SUMMARY               	Using nutrient supplementation experiments, we show that the provision of
PR:PROJECT_SUMMARY               	additional carbohydrates significantly reduces symbiont density while ammonium
PR:PROJECT_SUMMARY               	promotes symbiont proliferation. UHPLC-HR-MS analysis confirmed that all hosts
PR:PROJECT_SUMMARY               	co-incorporated glucose-derived 13C and ammonium-derived 15N via GS/GOGAT
PR:PROJECT_SUMMARY               	mediated amino acid biosynthesis. Our results reveal a general carbon-nitrogen
PR:PROJECT_SUMMARY               	negative feedback loop underlying these symbioses and provide a parsimonious
PR:PROJECT_SUMMARY               	explanation for their repeated evolution.
PR:INSTITUTE                     	King Abdullah University of Science and Technology
PR:LAST_NAME                     	Cui
PR:FIRST_NAME                    	Guoxin
PR:ADDRESS                       	4700 KAUST, 23955-6900 Thuwal
PR:EMAIL                         	guoxin.cui@kaust.edu.sa
PR:PHONE                         	+966544701749
#STUDY
ST:STUDY_TITLE                   	A carbon-nitrogen negative feedback loop underlies the repeated evolution of
ST:STUDY_TITLE                   	cnidarian-Symbiodiniaceae symbioses across >700 Myr
ST:STUDY_SUMMARY                 	Symbiotic associations with Symbiodiniaceae have evolved independently across a
ST:STUDY_SUMMARY                 	diverse range of cnidarian taxa including reef-building corals, sea anemones,
ST:STUDY_SUMMARY                 	and jellyfish, yet the molecular mechanisms underlying their regulation and
ST:STUDY_SUMMARY                 	repeated evolution are still elusive. Here we show that despite their
ST:STUDY_SUMMARY                 	independent evolution, cnidarian hosts employ the same carbon-nitrogen negative
ST:STUDY_SUMMARY                 	feedback loop to control symbiont proliferation. Symbiont-derived photosynthates
ST:STUDY_SUMMARY                 	are used to assimilate nitrogenous waste via GS/GOGAT mediated amino acid
ST:STUDY_SUMMARY                 	biosynthesis in a carbon dependent manner, which regulates the availability of
ST:STUDY_SUMMARY                 	nitrogen to the symbionts. Using nutrient supplementation experiments, we show
ST:STUDY_SUMMARY                 	that the provision of additional carbohydrates significantly reduces symbiont
ST:STUDY_SUMMARY                 	density while ammonium promotes symbiont proliferation. UHPLC-HR-MS analysis
ST:STUDY_SUMMARY                 	confirmed that all hosts co-incorporated glucose-derived 13C and
ST:STUDY_SUMMARY                 	ammonium-derived 15N via GS/GOGAT mediated amino acid biosynthesis. Our results
ST:STUDY_SUMMARY                 	reveal a general carbon-nitrogen negative feedback loop underlying these
ST:STUDY_SUMMARY                 	symbioses and provide a parsimonious explanation for their repeated evolution.
ST:INSTITUTE                     	King Abdullah University of Science and Technology
ST:LAST_NAME                     	Cui
ST:FIRST_NAME                    	Guoxin
ST:ADDRESS                       	4700 KAUST, 23955-6900 Thuwal
ST:EMAIL                         	guoxin.cui@kaust.edu.sa
ST:PHONE                         	+966544701749
#SUBJECT
SU:SUBJECT_TYPE                  	Invertebrate
SU:SUBJECT_SPECIES               	Multiple Cnidarian species: Exaiptasia diaphana, Stylophora pistillata,
SU:SUBJECT_SPECIES               	Cassiopea andromeda
#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           	-	ApoAip_13C15N1	Treatment:13CG+15NA	RAW_FILE_NAME=ApoAip-13CG+15NA-1.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_13C15N2	Treatment:13CG+15NA	RAW_FILE_NAME=ApoAip-13CG+15NA-2.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_13C15N3	Treatment:13CG+15NA	RAW_FILE_NAME=ApoAip-13CG+15NA-3.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_13C15N4	Treatment:13CG+15NA	RAW_FILE_NAME=ApoAip-13CG+15NA-4.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_13C1	Treatment:13CGG	RAW_FILE_NAME=ApoAip-13CGG-1.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_13C2	Treatment:13CGG	RAW_FILE_NAME=ApoAip-13CGG-2.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_13C3	Treatment:13CGG	RAW_FILE_NAME=ApoAip-13CGG-3.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_13C4	Treatment:13CGG	RAW_FILE_NAME=ApoAip-13CGG-4.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_13C5	Treatment:13CGG	RAW_FILE_NAME=ApoAip-13CGG-5.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_15N1	Treatment:15NA	RAW_FILE_NAME=ApoAip-15NA-1.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_15N2	Treatment:15NA	RAW_FILE_NAME=ApoAip-15NA-2.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_15N3	Treatment:15NA	RAW_FILE_NAME=ApoAip-15NA-3.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_15N4	Treatment:15NA	RAW_FILE_NAME=ApoAip-15NA-4.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_Con1	Treatment:Con	RAW_FILE_NAME=ApoAip-Con-1.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_Con2	Treatment:Con	RAW_FILE_NAME=ApoAip-Con-2.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_Con3	Treatment:Con	RAW_FILE_NAME=ApoAip-Con-3.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_Con4	Treatment:Con	RAW_FILE_NAME=ApoAip-Con-4.raw
SUBJECT_SAMPLE_FACTORS           	-	ApoAip_Con5	Treatment:Con	RAW_FILE_NAME=ApoAip-Con-5.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C15N1	Treatment:13CG+15NA	RAW_FILE_NAME=SymAip-13CG+15NA-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C15N2	Treatment:13CG+15NA	RAW_FILE_NAME=SymAip-13CG+15NA-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C15N3	Treatment:13CG+15NA	RAW_FILE_NAME=SymAip-13CG+15NA-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C15N4	Treatment:13CG+15NA	RAW_FILE_NAME=SymAip-13CG+15NA-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C1	Treatment:13CGG	RAW_FILE_NAME=SymAip-13CGG-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C2	Treatment:13CGG	RAW_FILE_NAME=SymAip-13CGG-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C3	Treatment:13CGG	RAW_FILE_NAME=SymAip-13CGG-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C4	Treatment:13CGG	RAW_FILE_NAME=SymAip-13CGG-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_13C5	Treatment:13CGG	RAW_FILE_NAME=SymAip-13CGG-5.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_15N1	Treatment:15NA	RAW_FILE_NAME=SymAip-15NA-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_15N2	Treatment:15NA	RAW_FILE_NAME=SymAip-15NA-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_15N3	Treatment:15NA	RAW_FILE_NAME=SymAip-15NA-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_15N4	Treatment:15NA	RAW_FILE_NAME=SymAip-15NA-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_Con1	Treatment:Con	RAW_FILE_NAME=SymAip-Con-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_Con2	Treatment:Con	RAW_FILE_NAME=SymAip-Con-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_Con3	Treatment:Con	RAW_FILE_NAME=SymAip-Con-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_Con4	Treatment:Con	RAW_FILE_NAME=SymAip-Con-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymAip_Con5	Treatment:Con	RAW_FILE_NAME=SymAip-Con-5.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_13C15N1	Treatment:13CG+15NA	RAW_FILE_NAME=SymCas-13CG+15NA-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_13C15N2	Treatment:13CG+15NA	RAW_FILE_NAME=SymCas-13CG+15NA-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_13C15N3	Treatment:13CG+15NA	RAW_FILE_NAME=SymCas-13CG+15NA-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_13C15N4	Treatment:13CG+15NA	RAW_FILE_NAME=SymCas-13CG+15NA-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_13C1	Treatment:13CGG	RAW_FILE_NAME=SymCas-13CGG-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_13C2	Treatment:13CGG	RAW_FILE_NAME=SymCas-13CGG-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_13C3	Treatment:13CGG	RAW_FILE_NAME=SymCas-13CGG-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_15N1	Treatment:15NA	RAW_FILE_NAME=SymCas-15NA-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_15N2	Treatment:15NA	RAW_FILE_NAME=SymCas-15NA-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_15N3	Treatment:15NA	RAW_FILE_NAME=SymCas-15NA-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_15N4	Treatment:15NA	RAW_FILE_NAME=SymCas-15NA-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_Con1	Treatment:Con	RAW_FILE_NAME=SymCas-Con-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_Con2	Treatment:Con	RAW_FILE_NAME=SymCas-Con-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymCas_Con3	Treatment:Con	RAW_FILE_NAME=SymCas-Con-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C15N1	Treatment:13CGG+15NA	RAW_FILE_NAME=SymSty-13CGG+15NA-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C15N2	Treatment:13CGG+15NA	RAW_FILE_NAME=SymSty-13CGG+15NA-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C15N3	Treatment:13CGG+15NA	RAW_FILE_NAME=SymSty-13CGG+15NA-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C15N4	Treatment:13CGG+15NA	RAW_FILE_NAME=SymSty-13CGG+15NA-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C15N5	Treatment:13CGG+15NA	RAW_FILE_NAME=SymSty-13CGG+15NA-5.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C15N6	Treatment:13CGG+15NA	RAW_FILE_NAME=SymSty-13CGG+15NA-6.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C1	Treatment:13CGG	RAW_FILE_NAME=SymSty-13CGG-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C2	Treatment:13CGG	RAW_FILE_NAME=SymSty-13CGG-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C3	Treatment:13CGG	RAW_FILE_NAME=SymSty-13CGG-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C4	Treatment:13CGG	RAW_FILE_NAME=SymSty-13CGG-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C5	Treatment:13CGG	RAW_FILE_NAME=SymSty-13CGG-5.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_13C6	Treatment:13CGG	RAW_FILE_NAME=SymSty-13CGG-6.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_15N1	Treatment:15NA	RAW_FILE_NAME=SymSty-15NA-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_15N2	Treatment:15NA	RAW_FILE_NAME=SymSty-15NA-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_15N3	Treatment:15NA	RAW_FILE_NAME=SymSty-15NA-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_15N4	Treatment:15NA	RAW_FILE_NAME=SymSty-15NA-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_15N5	Treatment:15NA	RAW_FILE_NAME=SymSty-15NA-5.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_15N6	Treatment:15NA	RAW_FILE_NAME=SymSty-15NA-6.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_Con1	Treatment:Con	RAW_FILE_NAME=SymSty-Con-1.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_Con2	Treatment:Con	RAW_FILE_NAME=SymSty-Con-2.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_Con3	Treatment:Con	RAW_FILE_NAME=SymSty-Con-3.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_Con4	Treatment:Con	RAW_FILE_NAME=SymSty-Con-4.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_Con5	Treatment:Con	RAW_FILE_NAME=SymSty-Con-5.raw
SUBJECT_SAMPLE_FACTORS           	-	SymSty_Con6	Treatment:Con	RAW_FILE_NAME=SymSty-Con-6.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Coral fragments and jellyfish were collected from the Red Sea and maintained in
CO:COLLECTION_SUMMARY            	the lab for more than 6 months before the experiment. Sea anemone Exaiptasia
CO:COLLECTION_SUMMARY            	were maintained in the lab for more than 5 years before the experiment.
CO:SAMPLE_TYPE                   	Whole invertebrate animal
#TREATMENT
TR:TREATMENT_SUMMARY             	S. pistillata fragments, symbiotic and aposymbiotic E. diaphana polyps, and C.
TR:TREATMENT_SUMMARY             	andromeda at the medusa stage were incubated for 48 hours with either filtered
TR:TREATMENT_SUMMARY             	seawater, filtered seawater with 10 mM 13C6-glucose, filtered seawater with 250
TR:TREATMENT_SUMMARY             	µM 15N-ammonium, or filtered seawater and 10 mM 13C6-glucose and 250 µM
TR:TREATMENT_SUMMARY             	15N-ammonium.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Animal tissue homogenates were lysed in 5 ml milli-Q water and lyophilized using
SP:SAMPLEPREP_SUMMARY            	a freeze dryer (Labconco). The lyophilisates were resuspended in 1 ml
SP:SAMPLEPREP_SUMMARY            	pre-chilled (-20 ℃) 100% methanol, sonicated for 30 minutes at 4 ℃ in an
SP:SAMPLEPREP_SUMMARY            	ultrasonication bath (Branson), and centrifuged at 3,000g for 30 minutes at 4
SP:SAMPLEPREP_SUMMARY            	℃. The supernatants were collected and stored in -80 ℃. The pellets were
SP:SAMPLEPREP_SUMMARY            	resuspended in 1 ml 50% methanol (-20 ℃) and centrifuged at 3,000g for 30
SP:SAMPLEPREP_SUMMARY            	minutes at 4 ℃. The supernatants were then combined with those collected from
SP:SAMPLEPREP_SUMMARY            	the previous step. The total extracts were then centrifuged at 16,000g for 15
SP:SAMPLEPREP_SUMMARY            	minutes at 4 ℃ to remove any potential particulates. The supernatants were
SP:SAMPLEPREP_SUMMARY            	dried using a speed vacuum concentrator (Labconco) and stored at -80 ℃ until
SP:SAMPLEPREP_SUMMARY            	further processing.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Dionex Ultimate 3000 UHPLC
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	100% water; 0.01% formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.01% formic acid
CH:FLOW_GRADIENT                 	0–8 min, 95 % B to 25 % B; 8–11 min, 25 % B; 11–12 min, 25 % B to 95
CH:FLOW_GRADIENT                 	% B; 12–15 min, 95 % B
CH:FLOW_RATE                     	0.25 mL/min
CH:COLUMN_TEMPERATURE            	35
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Amino acids were detected using a mass spectrometer operated in positive mode
MS:MS_COMMENTS                   	with a spray voltage of 3.0 kV, sheath gas flow rate of 35 arbitrary units,
MS:MS_COMMENTS                   	auxiliary gas flow rate of 10 arbitrary units, spray capillary temperature of
MS:MS_COMMENTS                   	300 °C, auxiliary gas heater temperature of 325 °C, AGC target of 3e6, and
MS:MS_COMMENTS                   	resolution of 280,000. Xcalibur software was used for the MS data acquisition,
MS:MS_COMMENTS                   	peak identification, signal extraction, and the related quantifications.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	ApoAip_Con1	ApoAip_Con2	ApoAip_Con3	ApoAip_Con4	ApoAip_Con5	ApoAip_15N1	ApoAip_15N2	ApoAip_15N3	ApoAip_15N4	ApoAip_13C1	ApoAip_13C2	ApoAip_13C3	ApoAip_13C4	ApoAip_13C5	ApoAip_13C15N1	ApoAip_13C15N2	ApoAip_13C15N3	ApoAip_13C15N4	SymAip_Con1	SymAip_Con2	SymAip_Con3	SymAip_Con4	SymAip_Con5	SymAip_15N1	SymAip_15N2	SymAip_15N3	SymAip_15N4	SymAip_13C1	SymAip_13C2	SymAip_13C3	SymAip_13C4	SymAip_13C5	SymAip_13C15N1	SymAip_13C15N2	SymAip_13C15N3	SymAip_13C15N4	SymCas_Con1	SymCas_Con2	SymCas_Con3	SymCas_15N1	SymCas_15N2	SymCas_15N3	SymCas_15N4	SymCas_13C1	SymCas_13C2	SymCas_13C3	SymCas_13C15N1	SymCas_13C15N2	SymCas_13C15N3	SymCas_13C15N4	SymSty_Con1	SymSty_Con2	SymSty_Con3	SymSty_Con4	SymSty_Con5	SymSty_Con6	SymSty_15N1	SymSty_15N2	SymSty_15N3	SymSty_15N4	SymSty_15N5	SymSty_15N6	SymSty_13C1	SymSty_13C2	SymSty_13C3	SymSty_13C4	SymSty_13C5	SymSty_13C6	SymSty_13C15N1	SymSty_13C15N2	SymSty_13C15N3	SymSty_13C15N4	SymSty_13C15N5	SymSty_13C15N6
Factors	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:13CG+15NA	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:Con	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:15NA	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG	Treatment:13CGG+15NA	Treatment:13CGG+15NA	Treatment:13CGG+15NA	Treatment:13CGG+15NA	Treatment:13CGG+15NA	Treatment:13CGG+15NA
3-Phosphohydroxypyruvate	4975901	6706127	2925680	3021218	4063536	4648481	5883395	3567597	4991865	133049	606724	452078	232046	135105	280690	278680	224021	439325	601537	758635	1973487	1162420	na	8134302	11857794	16839379	6072124	427564	26438	228452	39175	na	1449977	700332	1355760	998406	4606549	2115088	2226665	12255339	13386177	6529286	4825811	870325	181727	552359	867637	653829	2147127	1547055	26764	1632652	33814200	22219896	7019272	8545727	8246397	7758434	8921547	7618258	7975970	6827096	2000911	1894055	1736916	1730147	1452908	1425965	1038881	1567008	1639237	1423141	1804377	1891475
Glutamate	1336107031	1748706214	1385321939	1199078459	1317283261	1182207225	1639095441	974187925	278922220	1279288925	870812313	756999054	600944309	960750133	482635594	442034282	513860480	508185180	1451445049	1735505650	1584933034	1971278995	1365881764	442458452	1530581592	1681436344	924810695	1463237972	765966612	691277078	819988646	561913241	603699865	167809514	421480883	176134354	885870062	1384954216	1685307851	987914	2029145	2077782	41200819	396256199	432473060	288306492	21618433	29966187	5037750	38560761	539255217	1159757961	2684228644	1100335898	903543896	1444544374	1382357883	2446589740	2762366653	1619596793	1820434287	1825107408	1654844106	1694733412	1208049626	215118180	370829090	1647024811	585753991	1475752790	1265324704	402168136	1732280599	2290868433
Glutamine	219746063	383848550	320739284	253142244	214321454	130817383	136365401	127314993	82459600	617796586	203233355	152149736	142153980	232288043	147906926	153129058	157293137	142767514	1558796616	2194588400	1697156534	1410854973	1315056297	177481661	537923656	523370109	335920083	712757393	1214634960	1257282273	1140900784	1175016155	197613919	167611603	167212692	196079174	2075265778	2141027031	1671049353	249699028	179372896	221777764	112752257	412228399	549698306	774460255	143264495	135841436	189227388	186588519	489585362	741511437	9641582105	3872063912	6574720573	5216748529	6607164617	3799180397	3648591031	4170646034	5023538633	4272180008	4193307273	3718003450	629573416	909380538	1449433606	1119096558	2412193737	3780463084	2393123228	2204780224	3572030664	3687521602
O-Phospho-L-serine	3142528	1980924	532459	801944	2328953	5171364	8162041	2356594	3916881	1120618	2625026	1771375	1678415	486062	1975968	2972252	1678325	2832812	8229331	7502438	8310084	8827896	1911779	2479544	2195715	3512672	2680988	5922959	8472762	6948786	7550187	3359075	2485345	1139655	1843051	1498344	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na	na
Serine	227042581	376087421	319277201	341761734	225039763	270563014	285085121	265115251	228487166	688733257	244941155	206317058	211374386	251271703	272040537	278814570	259349912	272583383	229404540	227411388	224736774	336806313	372444614	579605636	1182319293	1570449632	1023880911	235247804	127996077	142564341	182099139	247428950	400896153	277202792	285845029	339230587	695001334	434679190	395213149	204744762	158561326	126406296	75001250	250431653	245027600	318984220	172350202	159549442	201696448	189240277	429741370	599051683	1331848196	789417609	1271587196	1202373246	1171817009	918166837	945781055	1086208937	1682746221	1691448637	3315804009	3257148262	553218273	530359488	1132156737	1173762894	1029014650	2971054599	1678561482	1073364518	2200589384	2848618152
Glycine	190650979	288898610	219839728	197829932	208907094	438754292	338160973	163604463	126346964	184849151	201718759	178002492	152000504	220844691	372520486	410302943	327221479	175837751	45767067	46442800	5884573	60951654	67606964	104745075	821981929	578890783	385845485	70407268	23141001	19221414	44727932	19060247	257834106	88365609	295342424	98414575	49589329	82803820	49520068	5217235	3768299	3074682	9416476	41576425	38486574	25874162	25920809	29182426	9374227	45784178	16728276	23082894	1257932002	776753381	1129954310	1129772341	996051253	1008311302	1186282610	1287366395	1355873887	1410176727	1091022238	1127340900	586174486	576058844	1263174559	936380887	1035599673	1055934095	894067110	978583929	811888441	1039041798
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	m/z	PubChem ID	KEGG ID
3-Phosphohydroxypyruvate	184.98566	105	C03232
Glutamate	148.06034	33032	C00025
Glutamine	147.07642	5961	C00064
O-Phospho-L-serine	184.00165	68841	C01005
Serine	106.04987	5951	C00065
Glycine	76.0393	750	C00037
METABOLITES_END
#END