#METABOLOMICS WORKBENCH XiaoyangSu_20230830_135002 DATATRACK_ID:4269 STUDY_ID:ST002844 ANALYSIS_ID:AN004658 PROJECT_ID:PR001766
VERSION             	1
CREATED_ON             	September 1, 2023, 7:22 am
#PROJECT
PR:PROJECT_TITLE                 	Leukemia inhibitory factor suppresses hepatic de novo lipogenesis and induces
PR:PROJECT_TITLE                 	cachexia
PR:PROJECT_SUMMARY               	We performed metabolomic analysis to measure polar and lipid metabolites in the
PR:PROJECT_SUMMARY               	serum from TgLC and TgL mice with Tamoxifen (TAM) injection. We compared the
PR:PROJECT_SUMMARY               	levels of lipid metabolites in the liver from TgLC and TgL mice with TAM
PR:PROJECT_SUMMARY               	injection. The lipid metabolites levels in the liver from Balb/c mice bearing
PR:PROJECT_SUMMARY               	C26 or C26-LIF KO tumors were also measured. Mice under both fed and fasted
PR:PROJECT_SUMMARY               	conditions were included. To investigate whether fenofibrate can restore hepatic
PR:PROJECT_SUMMARY               	lipid homeostasis, TgLC mice were fed with a regular chow or fenofibrate diet.
PR:PROJECT_SUMMARY               	Lipid metabolites in liver tissues were analyzed after TAM injection. A similar
PR:PROJECT_SUMMARY               	effect of fenofibrate on lipid metabolites was observed in C26 tumor-bearing
PR:PROJECT_SUMMARY               	mice.
PR:INSTITUTE                     	Rutgers University
PR:DEPARTMENT                    	Department of Radiation Oncology
PR:LAST_NAME                     	Hu
PR:FIRST_NAME                    	Wenwei
PR:ADDRESS                       	195 Little Albany St, New Brunswick, NJ 08901
PR:EMAIL                         	wh221@cinj.rutgers.edu
PR:PHONE                         	7322356169
#STUDY
ST:STUDY_TITLE                   	lipid annotation
ST:STUDY_SUMMARY                 	We measure lipid metabolites in the serum from TgLC and TgL mice with Tamoxifen
ST:STUDY_SUMMARY                 	(TAM) injection.
ST:INSTITUTE                     	Rutgers University
ST:LAST_NAME                     	Hu
ST:FIRST_NAME                    	Wenwei
ST:ADDRESS                       	195 Little Albany St, New Brunswick, NJ 08901
ST:EMAIL                         	wh221@cinj.rutgers.edu
ST:PHONE                         	7322356169
ST:STUDY_COMMENTS                	study under projectID: PR001766
#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           	-	WT_ddMS2	Genotype:TgL	RAW_FILE_NAME=WT_ddMS2.mzXML
SUBJECT_SAMPLE_FACTORS           	-	LIF_ddMS2	Genotype:TgLC	RAW_FILE_NAME=LIF_ddMS2.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	Whole blood was collected and centrifuged at 9000 rpm for 10 minutes. The
CO:COLLECTION_SUMMARY            	supernatant is serum. Serum was then stored at -80 °C.
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	TgL and TgLC mice were injected with Tamoxifen
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For lipidomic metabolites extraction, 10 μL serum were mixed with 75 μL
SP:SAMPLEPREP_SUMMARY            	methanol and 250 μL Methyl tert-butyl ether (MTBE). After shaking for 6 minutes
SP:SAMPLEPREP_SUMMARY            	at 4 °C, 62 μL H2O was added and followed by centrifugation for 2 minutes.
SP:SAMPLEPREP_SUMMARY            	Supernatants were dried down for further analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Lipidomics method
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um)
CH:SOLVENT_A                     	90% water/10% methanol; 34.2 mM acetic acid; 1 mM ammonium acetate
CH:SOLVENT_B                     	75% isopropanol/25% methanol; 34.2 mM acetic acid; 1 mM ammonium acetate
CH:FLOW_GRADIENT                 	0 min, 25% B; 2 min, 25% B; 5.5 min, 65% B; 12.5 min, 100% B; 19.5 min, 100% B;
CH:FLOW_GRADIENT                 	20.0 min, 25% B; 30 min, 25% B
CH:FLOW_RATE                     	0.2mL/min
CH:COLUMN_TEMPERATURE            	55C
#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                   	Positive Ionization mode with ddMS2
MS:CAPILLARY_TEMPERATURE         	300
MS:ION_SOURCE_TEMPERATURE        	360
MS:SPRAY_VOLTAGE                 	3500
MS:AUTOMATIC_GAIN_CONTROL        	3000000
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Ion counts
MS_METABOLITE_DATA_START
Samples	LIF_ddMS2	WT_ddMS2
Factors	Genotype:TgLC	Genotype:TgL
CAR(16:0)	316815.66	311466.72
CAR(18:1)	437875.84	322278.28
CE_NH4(16:0)	1523014	1356487.12
CE_NH4(16:1)	3010951.25	1608326.5
CE_NH4(17:1)	553661.5	419846.34
CE_NH4(18:0)	1272229.62	324731.5
CE_NH4(18:1(d7))	27250978	41865180
CE_NH4(18:1)	59702896	18993786
CE_NH4(18:2)	209098128	183217712
CE_NH4(18:3)	10100457	6553301.5
CE_NH4(20:1)	466769.88	167166.8
CE_NH4(20:4)	156421904	172893392
CE_NH4(20:5)	25391106	16880404
CE_NH4(22:6)	84900168	45961260
Cer(40:1;2O|18:1;2O/22:0)	912957.5	716220.81
Cer(42:1;2O|18:1;2O/24:0)	2478680	1477102.62
Cer(42:2;2O|18:1;2O/24:1)	1815037.62	965373
DG_Na(37:7)	199755856	240251728
DG_Na(42:4)	348507.75	361513.34
DG_NH4(15:0_18:1(d7))	29342706	34207396
DG_NH4(32:0|16:0_16:0)	1610664.38	2151376.75
DG_NH4(32:1|16:0_16:1)	1536043.88	1683579.88
DG_NH4(34:0|16:0_18:0)	1299164.62	2118331
DG_NH4(34:1|16:0_18:1)	4438111.5	5311420
DG_NH4(34:2|16:0_18:2)	4493902.5	5452569.5
DG_NH4(36:0|18:0_18:0)	935608.56	1576590.62
DG_NH4(36:1|18:0_18:1)	674371.06	1007877.69
DG_NH4(36:2|18:1_18:1)	2578557	3389197
DG_NH4(36:3|18:1_18:2)	4304712	4694797
DG_NH4(36:4|18:2_18:2)	1853099.12	1914466
DG_NH4(38:6|18:2_20:4)	2410744.25	688907.25
DG_NH4(40:7|18:1_22:6)	2404934	437181.91
DG_NH4(40:8|18:2_22:6)	3209128	343864
HexCer(34:1;2O|18:1;2O/16:0)	1839597.38	917193.81
HexCer(42:1;2O|18:1;2O/24:0)	1047595.94	878979.69
HexCer(42:2;2O|18:1;2O/24:1)	1927583.38	1629389.88
LPC(14:0/0:0)	156295.5	372928
LPC(15:0/0:0)	455646.59	739871.94
LPC(16:0)	109565464	147786512
LPC(16:0/0:0)	109565464	147786512
LPC(16:1/0:0)	671865.56	1209499.62
LPC(17:0/0:0)	1691975.38	2070952.5
LPC(18:0)	118850504	87290648
LPC(18:0/0:0)	118850504	87290648
LPC(18:1(d7))	52249984	54293696
LPC(18:1)	12401571	27160030
LPC(18:1/0:0)	12401571	27160030
LPC(18:2)	28659144	106992216
LPC(18:2/0:0)	28659144	106992216
LPC(18:3/0:0)	7282808	9050372
LPC(19:0/0:0)	623522.19	779268.94
LPC(20:0/0:0)	349748.41	350000.22
LPC(20:1/0:0)	566028	675091.06
LPC(20:2/0:0)	255470.08	536129.81
LPC(20:3/0:0)	8255572	6034877.5
LPC(20:4/0:0)	4217994.5	16718307
LPC(20:5/0:0)	1989834.5	6693405.5
LPC(22:0/0:0)	233667.14	254319.12
LPC(22:6/0:0)	4246546	10149881
LPC(24:0/0:0)	424348.22	488647.09
LPC(O-16:0)	579855.06	797292.19
LPC(O-18:1)	358016.66	313402.72
LPC_Na(16:0)	7282808	9015135
LPC_Na(18:0)	8237798.5	6006415.5
LPC_Na(18:1)	4217994.5	16718307
LPC_Na(18:2)	1989834.5	6693405.5
LPC_Na(20:4)	309746.19	956920.81
LPC_Na(22:6)	250755.05	598805.44
LPE(16:0)	2234225.75	1989744.62
LPE(18:0)	3143458.75	2645006.5
LPE(18:1(d7))	6719987.5	7169399.5
LPE(18:1)	449281.78	755209.25
LPE(18:2)	1250486	2703024.75
LPE(20:4)	863398.31	1980206.62
LPE(22:6)	1319703.88	2813326.25
MG_NH4(16:0)	958832.19	6358772.5
MG_NH4(18:0)	2300387.75	8300133.5
MG_NH4(18:1)	376618.41	654198.06
MG_NH4(18:2)	814746.25	1281420.12
NAE(16:0)	235619.05	251091.33
NAE(16:1)	3513134	385015.03
NAE(16:2)	8341509.5	730378
NAE(16:3)	294616.59	24538.86
NAE(16:4)	364087.03	20340.15
NAE(18:0)	282461.91	294176.47
NAE(20:0)	389754.66	387135.59
NAE(20:1)	1335811.62	194655.58
NAE(20:2)	1650682.12	248493.36
NAE(22:0)	578297.31	602095.38
PC(30:0)	785815.44	1085490.5
PC(32:0)	14848043	22955000
PC(32:1)	4150922	6964016
PC(32:2)	872885.75	1783146.5
PC(33:2)	7617010.5	5769838.5
PC(34:0)	3095584	10721979
PC(34:1)	177625584	187032400
PC(34:2)	574958400	663805888
PC(34:3)	8617012	15620103
PC(35:1)	1755454.38	2737277.25
PC(35:2)	13107497	16715812
PC(36:1)	64637236	55676708
PC(36:2)	541138496	555490624
PC(36:4)	83733104	151816480
PC(37:2)	5185334	7449768.5
PC(37:4)	2731972	3877044.75
PC(38:2)	4493335.5	6216328
PC(38:4)	132878056	133524696
PC(38:5)	22814176	29270474
PC(38:6)	170707120	126113800
PC(38:7)	1827208	3242372
PC(39:6)	3041646.75	2264875
PC(40:6)	135364832	61330796
PC(40:8)	2465209	3035855.25
PC(O-34:1)	3242667.25	3952992.25
PC(O-34:2)	2034972.38	3904251.25
PC(O-34:3)	962791.94	1708797.62
PC(O-36:2)	1335806.88	2035647.38
PC(O-36:4)	4824452.5	8238436
PC(O-36:5)	2154867.75	2792608
PC(O-38:4)	1604051.62	2693054.25
PC(O-38:5)	4321523.5	6031040.5
PC(O-38:6)	4215635.5	4639539.5
PC(O-39:3)	516569.59	359166.88
PC(O-40:7)	2375316.25	2509703.5
PC_Na(34:2)	12497131	30217914
PC_Na(36:2)	25013666	29270474
PC_Na(36:4)	1827208	3242372
PC_Na(36:5)	607639.25	1366398.12
PC_Na(38:4)	8791373	7764286.5
PC_Na(38:6)	5097919.5	3545349.25
PC_Na(40:6)	2857720.75	1109877.62
PE(15:0_18:1(d7))	6228322.5	6622388
PE(34:2|16:0_18:2)	6724844.5	1791106.62
PE(36:2|18:0_18:2)	7617010.5	5769838.5
PE(36:3)	2167775.25	1330067.25
PE(36:4)	4265820	1608238.38
PE(38:4)	11346597	5388235.5
PE(38:6)	12410892	3472455.25
PE(40:6)	5751494	2864524
PE(P-36:4|P-16:0_20:4)	974185.31	2484474
PE(P-38:6|P-16:0_22:6)	2176736.75	5093440.5
PE(P-40:4|P-20:0_20:4)	1431076.12	1452074.12
PE(P-40:6|P-18:0_22:6)	2085299.5	4323810.5
PE(P-42:6|P-20:0_22:6)	728985.69	1587240.38
PG_NH4(15:0_18:1(d7))	14014672	16319652
PI_NH4(34:2)	1682957	2310042.75
PI_NH4(36:2)	1376918	2948414
PI_NH4(36:4)	2777663.25	3043705.75
PI_NH4(38:4)	20643858	23140006
PI_NH4(38:5)	1110681.12	838486
SM(18:1;2O/18:1(d9))	70365224	76975928
SM(32:1;2O|17:0;2O/15:1)	873054.69	619707.06
SM(33:1;2O)	2268727.75	2149349.25
SM(34:1;2O)	97089784	42051732
SM(34:2;2O)	7651144	4441052
SM(36:1;2O)	3657295.25	5137239.5
SM(36:2;2O|18:1;2O/18:1)	1428119.62	1777429.62
SM(40:1;2O)	17046370	10844945
SM(40:2;2O)	5247085.5	3437604.75
SM(41:1;2O)	4254476	4655085.5
SM(41:2;2O)	2183228.25	2600985.25
SM(42:1;2O|18:1;2O/24:0)	16345227	8894460
SM(42:2;2O)	72851360	40148484
SM(42:3;2O)	20653260	12786387
SM_Na(34:1;2O)	6351629.5	2673712.75
SM_Na(34:2;2O)	633679.31	353799.97
SM_Na(42:1;2O)	824178.06	452734.84
SM_Na(42:2;2O)	3004798	1729431.12
ST_H-H2O(27:1;O)	269649184	201081392
ST_H-H2O(27:2;O)	1001740.31	995481.5
ST_H-H2O(28:1;O)	2761830	4977903.5
ST_H-H2O(29:1;O)	1057112.12	2572259
TG_Na(52:2|16:0_18:1_18:1)	1443835	2161339.5
TG_Na(52:3|16:0_18:1_18:2)	1713849.38	1974156
TG_Na(52:4|16:0_18:2_18:2)	842466.69	1603577.88
TG_Na(54:2|18:0_18:1_18:1)	293795.53	736785.44
TG_Na(54:3|18:1_18:1_18:1)	734798.06	1288625.75
TG_Na(54:4|18:1_18:1_18:2)	782159.56	1426977.62
TG_Na(54:5|18:1_18:2_18:2)	456305.75	1077825.12
TG_Na(54:6|18:2_18:2_18:2)	392661.91	857828.56
TG_Na(56:8|16:0_18:2_22:6)	1271725.5	758097.81
TG_NH4(44:0|13:0_15:0_16:0)	540124.19	691215.69
TG_NH4(44:1|12:0_16:0_16:1)	720279.94	1077908.12
TG_NH4(44:2|10:0_16:0_18:2)	321422.75	661398.38
TG_NH4(45:0|14:0_15:0_16:0)	570652.31	679920.69
TG_NH4(45:1|14:0_15:0_16:1)	909808.81	975146.81
TG_NH4(46:0|14:0_16:0_16:0)	975582.94	1277569.88
TG_NH4(46:1|14:0_16:0_16:1)	1732272	2413677.25
TG_NH4(46:2|14:0_14:1_18:1)	1118553.25	2048336
TG_NH4(46:3|10:0_18:1_18:2)	277063.41	809417.31
TG_NH4(47:1|15:0_16:0_16:1)	1338596.12	1533013.62
TG_NH4(47:2|15:0_15:1_17:1)	1079927	1126505.12
TG_NH4(48:0|14:0_16:0_18:0)	1656778.5	4481125.5
TG_NH4(48:1|14:0_16:0_18:1)	2787749.25	6633766.5
TG_NH4(48:2|14:0_16:0_18:2)	2556639.25	7177070.5
TG_NH4(48:3|14:0_16:1_18:2)	893087.44	2679196.75
TG_NH4(48:4|12:0_18:2_18:2)	202597	847973.81
TG_NH4(49:1|15:0_16:0_18:1)	1589203.5	1931638
TG_NH4(49:2|15:0_16:1_18:1)	2372893	2925524.25
TG_NH4(49:3|15:0_16:1_18:2)	505766.59	1072788
TG_NH4(50:0|16:0_16:0_18:0)	1469098.62	4716041.5
TG_NH4(50:1|16:0_16:0_18:1)	9976535	29990502
TG_NH4(50:2|16:0_16:1_18:1)	10909205	35747468
TG_NH4(50:3|16:0_16:1_18:2)	4633339.5	19815272
TG_NH4(50:4|14:0_18:2_18:2)	1316147.62	7597220
TG_NH4(50:5|14:0_18:2_18:3)	308434.41	1940094.12
TG_NH4(51:1|16:0_17:0_18:1)	1076658.88	1806251.62
TG_NH4(51:2|16:0_17:1_18:1)	1710843.5	3562603.25
TG_NH4(51:3|15:0_18:1_18:2)	1094265	2822559.25
TG_NH4(51:4|15:0_18:2_18:2)	425675.25	1410997.88
TG_NH4(52:0|16:0_18:0_18:0)	1146509.62	1191384.38
TG_NH4(52:1|16:0_18:0_18:1)	10075102	25060170
TG_NH4(52:2|16:0_18:1_18:1)	48937444	105658528
TG_NH4(52:3|16:0_18:1_18:2)	72047368	142162976
TG_NH4(52:4|16:0_18:2_18:2)	44550292	92221376
TG_NH4(52:5|16:0_18:2_18:3)	5835450.5	24602936
TG_NH4(52:6|16:1_18:2_18:3)	918645.75	4618301.5
TG_NH4(52:7|18:1_16:3_18:3)	361457.72	1216045.38
TG_NH4(53:1|17:0_18:0_18:1)	424209.25	795586.25
TG_NH4(53:2|16:0_18:1_19:1)	1069975.38	2656216
TG_NH4(53:3|17:0_18:1_18:2)	1752504.38	3870586.25
TG_NH4(53:4|17:1_18:1_18:2)	943698.19	2664187.25
TG_NH4(53:5|18:1_17:2_18:2)	275488.91	1132628.38
TG_NH4(54:0|16:0_18:0_20:0)	340480.84	729771.94
TG_NH4(54:1|16:0_20:0_18:1)	1318976.88	3544014.75
TG_NH4(54:2|16:0_18:1_20:1)	6293210.5	18002864
TG_NH4(54:3|18:0_18:1_18:2)	19639678	53058896
TG_NH4(54:4|18:1_18:1_18:2)	27858322	72411280
TG_NH4(54:5|18:1_18:2_18:2)	20262344	68646176
TG_NH4(54:6|16:0_18:2_20:4)	17092638	38295236
TG_NH4(54:6|18:1_18:2_18:3)	17092638	38295236
TG_NH4(54:7|18:2_18:2_18:3)	7812770.5	12723219
TG_NH4(54:8|16:1_18:2_20:5)	1392071.12	2778906.75
TG_NH4(55:1|16:0_21:0_18:1)	611751.06	2575789
TG_NH4(55:2|18:0_19:0_18:2)	692400.81	2822675.75
TG_NH4(55:3|19:0_18:1_18:2)	364744.97	1479124
TG_NH4(55:7|16:0_18:2_21:5)	621671.25	1003225.19
TG_NH4(56:1|16:0_22:0_18:1)	361389.22	595582.06
TG_NH4(56:10|18:2_18:3_20:5)	1003805.81	1524509.62
TG_NH4(56:2|18:0_18:1_20:1)	663454.56	1747819.5
TG_NH4(56:3|18:0_20:1_18:2)	1606596.88	4283152.5
TG_NH4(56:4|18:1_20:1_18:2)	2340740.25	6050620
TG_NH4(56:5|18:0_18:1_20:4)	5007746	8851849
TG_NH4(56:6|16:0_18:1_22:5)	13257275	15845708
TG_NH4(56:7|18:1_18:2_20:4)	39625828	28982634
TG_NH4(56:8|18:1_18:2_20:5)	49259136	30525530
TG_NH4(56:9|16:1_18:2_22:6)	7928478.5	7917645.5
TG_NH4(57:1|16:0_23:0_18:1)	234605.48	257073.27
TG_NH4(58:1|16:0_24:0_18:1)	222297.7	297049.12
TG_NH4(58:10|18:1_20:4_20:5)	18598114	13118503
TG_NH4(58:11|18:2_20:4_20:5)	7196087.5	5572026.5
TG_NH4(58:2|22:0_18:1_18:1)	252029.45	440623.72
TG_NH4(58:3|22:0_18:1_18:2)	229914.95	653391.75
TG_NH4(58:4|18:1_22:1_18:2)	346928.59	666649.5
TG_NH4(58:6|18:0_18:2_22:4)	1436615.5	1914682
TG_NH4(58:7|16:0_18:1_24:6)	4207975.5	4283008
TG_NH4(58:8|18:1_18:1_22:6)	15147519	11046843
TG_NH4(58:9|18:1_18:2_22:6)	25167808	16529052
TG_NH4(60:10|18:1_20:4_22:5)	2977072.75	2253897.25
TG_NH4(60:11|18:1_20:4_22:6)	11902784	7633094.5
TG_NH4(60:12|18:2_20:4_22:6)	21112230	10415265
TG_NH4(60:13|18:2_20:5_22:6)	9774895	4708270
TG_NH4(60:8|18:1_20:1_22:6)	1046413.69	833642.25
TG_NH4(60:9|18:1_18:2_24:6)	1874885.88	1460555.38
TG_NH4(62:13|18:1_22:6_22:6)	12487725	6908222.5
TG_NH4(62:14|18:2_22:6_22:6)	18240218	8189395.5
TG_NH4(64:16|20:4_22:6_22:6)	1109977.62	881628.31
TG_NH4(66:18|22:6_22:6_22:6)	667132	652048.19
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	mz	RT	Formula	Ontology	INCHIKEY	SMILES
CAR(16:0)	400.34198	8.995	C23H45NO4	CAR	XOMRRQXKHMYMOC-UHFFFAOYSA-N	O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCC)C[N+](C)(C)C
CAR(18:1)	426.35739	9.216	C25H47NO4	CAR	IPOLTUVFXFHAHI-UHFFFAOYSA-N	O=C([O-])CC(OC(=O)CCCCCCCC=CCCCCCCCC)C[N+](C)(C)C
CE_NH4(16:0)	642.61743	17.252	C43H76O2	CE	BBJQPKLGPMQWBU-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCCCCCC
CE_NH4(16:1)	640.60205	16.867	C43H74O2	CE	HODJWNWCVNUPAQ-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCCCCCC
CE_NH4(17:1)	654.61774	17.11	C44H76O2	CE	RLMIGWIAENJHMP-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCCCCCCC
CE_NH4(18:0)	670.64917	17.747	C45H80O2	CE	XHRPOTDGOASDJS-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCCCCCCCC
CE_NH4(18:1(d7))	675.67786	17.269	C45H71D7O2	CE	RJECHNNFRHZQKU-LCUGTLGDNA-N	[C@]12(CC=C3C[C@@H](OC(=O)CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]
CE_NH4(18:1)	668.63306	17.307	C45H78O2	CE	RJECHNNFRHZQKU-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCCCCCCCC
CE_NH4(18:2)	666.61877	16.97	C45H76O2	CE	NAACPBBQTFFYQB-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCC=CCCCCC
CE_NH4(18:3)	664.60132	16.681	C45H74O2	CE	FYMCIBHUFSIWCE-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCC=CCC=CCC
CE_NH4(20:1)	696.66431	17.755	C47H82O2	CE	OWTYWMJVQZQWFH-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCC=CCCCCCCCC
CE_NH4(20:4)	690.61761	16.838	C47H76O2	CE	HZUAPDDXDDVFOX-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCC=CCC=CCC=CCC=CCC
CE_NH4(20:5)	688.60162	16.567	C47H74O2	CE	XZFUGMCJZFRBKF-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCC=CCC=CCC=CCC=CCC=CCC
CE_NH4(22:6)	714.61853	16.718	C49H76O2	CE	VOEVEGPMRIYYKC-UHFFFAOYSA-N	O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCC=CCC=CCC=CCC=CCC=CCC=CCC
Cer(40:1;2O|18:1;2O/22:0)	622.61188	14.687	C40H79NO3	Cer_NS	KEPQASGDXIEOIL-UHFFFAOYSA-N	O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
Cer(42:1;2O|18:1;2O/24:0)	650.6449	14.947	C42H83NO3	Cer_NS	ZJVVOYPTFQEGPH-UHFFFAOYSA-N	O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC
Cer(42:2;2O|18:1;2O/24:1)	648.62891	14.705	C42H81NO3	Cer_NS	HZPUWSUHFOTSAY-UHFFFAOYSA-N	O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC
DG_Na(37:7)	647.4574	15.174	C40H64O5	DG	HWGDKLDOTMWARD-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC
DG_Na(42:4)	723.58649	11.858	C45H80O5	DG	VHEGSINDELCQNS-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)CO)CCCCCCC
DG_NH4(15:0_18:1(d7))	605.58435	14.332	C36H61D7O5	DG	GWAPRYUVSHVZHN-ZYYJJESQNA-N	OC[C@]([H])(OC(CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O
DG_NH4(32:0|16:0_16:0)	586.54065	14.433	C35H68O5	DG	JEJLGIQLPYYGEE-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC
DG_NH4(32:1|16:0_16:1)	584.5249	14.198	C35H66O5	DG	ADLOEVQMJKYKSR-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)CO)CCCCCCCCCCCCCCC
DG_NH4(34:0|16:0_18:0)	614.5719	14.736	C37H72O5	DG	ONCLVQFEAFTXMN-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC
DG_NH4(34:1|16:0_18:1)	612.55591	14.517	C37H70O5	DG	YEJYLHKQOBOSCP-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCCCCCCCCC
DG_NH4(34:2|16:0_18:2)	610.54028	14.316	C37H68O5	DG	SVXWJFFKLMLOHO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCCCCCCCCC
DG_NH4(36:0|18:0_18:0)	642.60211	15.008	C39H76O5	DG	UHUSDOQQWJGJQS-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
DG_NH4(36:1|18:0_18:1)	640.58685	14.801	C39H74O5	DG	SAEPUUXWQQNLGN-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
DG_NH4(36:2|18:1_18:1)	638.57141	14.591	C39H72O5	DG	AFSHUZFNMVJNKX-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCC=CCCCCCCCC
DG_NH4(36:3|18:1_18:2)	636.55573	14.355	C39H70O5	DG	BLZVZPYMHLXLHG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCC=CCCCCCCCC
DG_NH4(36:4|18:2_18:2)	634.54089	14.118	C39H68O5	DG	MQGBAQLIFKSMEM-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCC=CCC=CCCCCC
DG_NH4(38:6|18:2_20:4)	658.54108	14.085	C41H68O5	DG	XQKXAZZSUMABAU-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC=CCC=CCCCCC
DG_NH4(40:7|18:1_22:6)	684.55591	14.292	C43H70O5	DG	ZILMKERHGSKQBG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC=CCCCCCCCC
DG_NH4(40:8|18:2_22:6)	682.53864	14.033	C43H68O5	DG	GPMAAGRGFWBOSO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC=CCC=CCCCCC
HexCer(34:1;2O|18:1;2O/16:0)	700.57208	13.156	C40H77NO8	HexCer_NS	VJLLLMIZEJJZTE-UHFFFAOYSA-N	O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
HexCer(42:1;2O|18:1;2O/24:0)	812.69629	14.617	C48H93NO8	HexCer_NS	POQRWMRXUOPCLD-UHFFFAOYSA-N	O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC
HexCer(42:2;2O|18:1;2O/24:1)	810.68097	14.343	C48H91NO8	HexCer_NS	PPSREVDUNDPZIG-UHFFFAOYSA-N	O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC
LPC(14:0/0:0)	468.30759	8.566	C22H46NO7P	LPC	VXUOFDJKYGDUJI-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC
LPC(15:0/0:0)	482.32343	8.976	C23H48NO7P	LPC	RJZVWDTYEWCUAR-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC
LPC(16:0)	496.33899	9.204	C24H50NO7P	LPC	ASWBNKHCZGQVJV-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
LPC(16:0/0:0)	496.33896	9.397	C24H50NO7P	LPC	ASWBNKHCZGQVJV-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
LPC(16:1/0:0)	494.32352	8.838	C24H48NO7P	LPC	LFUDDCMNKWEORN-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC
LPC(17:0/0:0)	510.35587	9.835	C25H52NO7P	LPC	SRRQPVVYXBTRQK-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC
LPC(18:0)	524.37122	10.07	C26H54NO7P	LPC	IHNKQIMGVNPMTC-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
LPC(18:0/0:0)	524.36987	10.273	C26H54NO7P	LPC	IHNKQIMGVNPMTC-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
LPC(18:1(d7))	529.39819	9.594	C26H45D7NO7P	LPC	YAMUFBLWGFFICM-HNNXNMBSNA-N	C(COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O
LPC(18:1)	522.35419	9.429	C26H52NO7P	LPC	YAMUFBLWGFFICM-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC
LPC(18:1/0:0)	522.35559	9.618	C26H52NO7P	LPC	YAMUFBLWGFFICM-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC
LPC(18:2)	520.33893	8.94	C26H50NO7P	LPC	SPJFYYJXNPEZDW-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC
LPC(18:2/0:0)	520.33905	9.106	C26H50NO7P	LPC	SPJFYYJXNPEZDW-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC
LPC(18:3/0:0)	518.32397	8.711	C26H48NO7P	LPC	WKQNRCYKYCKESD-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCC=CCC
LPC(19:0/0:0)	538.38623	10.706	C27H56NO7P	LPC	WYIMORDZGCUBAA-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC
LPC(20:0/0:0)	552.4024	11.127	C28H58NO7P	LPC	UATOAILWGVYRQS-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCC
LPC(20:1/0:0)	550.38538	10.432	C28H56NO7P	LPC	YYSFWGQAKJTHRE-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCCCCCCCC
LPC(20:2/0:0)	548.37152	9.898	C28H54NO7P	LPC	YYQVCMMXPIJVHY-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCC=CCCCCC
LPC(20:3/0:0)	546.35406	9.444	C28H52NO7P	LPC	XUDGAAFUMTTZCO-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCC=CCC=CCC
LPC(20:4/0:0)	544.33862	9.11	C28H50NO7P	LPC	GOMVPVRDBLLHQC-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC
LPC(20:5/0:0)	542.32336	8.687	C28H48NO7P	LPC	PDIGSOAOQOXRDU-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCC=CCC=CCC=CCC=CCC=CCC
LPC(22:0/0:0)	580.4328	11.891	C30H62NO7P	LPC	UIINDYGXBHJQHX-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCC
LPC(22:6/0:0)	568.33923	9.097	C30H50NO7P	LPC	LSOWKZULVQWMLY-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC
LPC(24:0/0:0)	608.46381	12.57	C32H66NO7P	LPC	SKJMUADLQLZAGH-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCC
LPC(O-16:0)	482.36093	9.817	C24H52NO6P	EtherLPC	RKKJZVVEVRCBJA-UHFFFAOYSA-N	O=P([O-])(OCC[N+](C)(C)C)OCC(OCCCCCCCCCCCCCCCC)CO
LPC(O-18:1)	508.37579	10.018	C26H54NO6P	EtherLPC	LGYDTKYITBAFRQ-UHFFFAOYSA-N	O=P([O-])(OCC[N+](C)(C)C)OCC(OCCCCCCCCC=CCCCCCCCC)CO
LPC_Na(16:0)	518.32129	9.4	C24H50NO7P	LPC	ASWBNKHCZGQVJV-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
LPC_Na(18:0)	546.35266	10.273	C26H54NO7P	LPC	IHNKQIMGVNPMTC-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
LPC_Na(18:1)	544.33698	9.617	C26H52NO7P	LPC	YAMUFBLWGFFICM-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC
LPC_Na(18:2)	542.32202	8.929	C26H50NO7P	LPC	SPJFYYJXNPEZDW-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC
LPC_Na(20:4)	566.32074	9.117	C28H50NO7P	LPC	GOMVPVRDBLLHQC-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC
LPC_Na(22:6)	590.32098	9.103	C30H50NO7P	LPC	LSOWKZULVQWMLY-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC
LPE(16:0)	454.29276	9.528	C21H44NO7P	LPE	YVYMBNSKXOXSKW-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC
LPE(18:0)	482.32336	10.402	C23H48NO7P	LPE	BBYWOYAFBUOUFP-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC
LPE(18:1(d7))	487.35156	9.72	C23H39D7NO7P	LPE	PYVRVRFVLRNJLY-CCLUNVSZNA-N	[C@](COP(=O)(O)OCCN)([H])(O)COC(CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O
LPE(18:1)	480.30768	9.74	C23H46NO7P	LPE	PYVRVRFVLRNJLY-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC
LPE(18:2)	478.29266	9.055	C23H44NO7P	LPE	DBHKHNGBVGWQJE-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC
LPE(20:4)	502.29248	9.22	C25H44NO7P	LPE	JPNPIRVRGLGTRE-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC
LPE(22:6)	526.2912	9.21	C27H44NO7P	LPE	XEVRBOQZSXWGQO-UHFFFAOYSA-N	O=C(OCC(O)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC
MG_NH4(16:0)	348.31012	10.562	C19H38O4	MG	QHZLMUACJMDIAE-UHFFFAOYSA-N	O=C(OCC(O)CO)CCCCCCCCCCCCCCC
MG_NH4(18:0)	376.34155	11.429	C21H42O4	MG	VBICKXHEKHSIBG-UHFFFAOYSA-N	O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC
MG_NH4(18:1)	374.32593	10.762	C21H40O4	MG	RZRNAYUHWVFMIP-UHFFFAOYSA-N	O=C(OCC(O)CO)CCCCCCCC=CCCCCCCCC
MG_NH4(18:2)	372.31055	10.201	C21H38O4	MG	WECGLUPZRHILCT-UHFFFAOYSA-N	O=C(OCC(O)CO)CCCCCCCC=CCC=CCCCCC
NAE(16:0)	300.28955	10.172	C18H37NO2	NAE	HXYVTAGFYLMHSO-UHFFFAOYSA-N	O=C(NCCO)CCCCCCCCCCCCCCC
NAE(16:1)	298.27383	8.938	C18H35NO2	NAE	WFRLANWAASSSFV-UHFFFAOYSA-N	O=C(NCCO)CCCCCCCC=CCCCCCC
NAE(16:2)	296.25778	8.406	C18H33NO2	NAE	KULZUVXNSCAVNT-UHFFFAOYSA-N	O=C(NCCO)CCCCCCCC=CCC=CCCC
NAE(16:3)	294.24222	9.556	C18H31NO2	NAE	RNAPVEPGLLMNHR-UHFFFAOYSA-N	O=C(NCCO)CCCCCC=CCC=CCC=CCC
NAE(16:4)	292.22699	7.81	C18H29NO2	NAE	VQFGMMDKSMBEHW-UHFFFAOYSA-N	O=C(NCCO)CCC=CCC=CCC=CCC=CCC
NAE(18:0)	328.32071	11.044	C20H41NO2	NAE	OTGQIQQTPXJQRG-UHFFFAOYSA-N	O=C(NCCO)CCCCCCCCCCCCCCCCC
NAE(20:0)	356.35214	11.869	C22H45NO2	NAE	AUJVQJHODMISJP-UHFFFAOYSA-N	O=C(NCCO)CCCCCCCCCCCCCCCCCCC
NAE(20:1)	354.33594	10.312	C22H43NO2	NAE	YDKRGMXLBRWZJR-UHFFFAOYSA-N	O=C(NCCO)CCCCCCCCCC=CCCCCCCCC
NAE(20:2)	352.32095	9.659	C22H41NO2	NAE	MWQCBVWCBTUPDQ-UHFFFAOYSA-N	O=C(NCCO)CCCCCCCCCC=CCC=CCCCCC
NAE(22:0)	384.38269	12.587	C24H49NO2	NAE	XHFWUECSNJWBJU-UHFFFAOYSA-N	O=C(NCCO)CCCCCCCCCCCCCCCCCCCCC
PC(30:0)	706.53644	13.088	C38H76NO8P	PC	LJARBVLDSOWRJT-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC
PC(32:0)	734.56958	13.559	C40H80NO8P	PC	KILNVBDSWZSGLL-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
PC(32:1)	732.5531	13.221	C40H78NO8P	PC	MLBVVLKJELORDK-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC(32:2)	730.53625	12.89	C40H76NO8P	PC	GPWHCUUIQMGELX-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC
PC(33:2)	744.55267	13.134	C41H78NO8P	PC	AIIVRGFXFCHAQG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC
PC(34:0)	762.59979	13.966	C42H84NO8P	PC	RTWAYAIMWLNAJW-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC
PC(34:1)	760.58331	13.643	C42H82NO8P	PC	DPRKXQMMMQTCGD-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC(34:2)	758.56793	13.353	C42H80NO8P	PC	RXPVDHQFHIMZPN-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCC
PC(34:3)	756.55328	13.093	C42H78NO8P	PC	WWRDYQGDVGTJLY-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC(35:1)	774.60126	13.846	C43H84NO8P	PC	REEPJMMZOWZPCJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC
PC(35:2)	772.58289	13.577	C43H82NO8P	PC	QHSSPICKLMYIHE-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
PC(36:1)	788.61517	14.028	C44H86NO8P	PC	GQRONIVZDUCCCG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCC
PC(36:2)	786.59991	13.788	C44H84NO8P	PC	SNKAWJBJQDLSFF-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC
PC(36:4)	782.56677	13.334	C44H80NO8P	PC	FVXDQWZBHIXIEJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC
PC(37:2)	800.61517	13.973	C45H86NO8P	PC	LOOVXTAPKGYHKO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC
PC(37:4)	796.58307	13.569	C45H82NO8P	PC	JOMWRRWZQPAGHE-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCCC
PC(38:2)	814.6311	14.159	C46H88NO8P	PC	HJYITXYOCDILBF-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCCC
PC(38:4)	810.59875	13.776	C46H84NO8P	PC	TWXNOZDNXVHOLP-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCCC
PC(38:5)	808.58392	13.529	C46H82NO8P	PC	NXXPLRWFTSQYFC-UHFFFAOYSA-N	O=C(OCC(OC(=O)CC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCC
PC(38:6)	806.56726	13.293	C46H80NO8P	PC	ZZCKHSDYCDDKIG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCC=CCC=CCC=CCC
PC(38:7)	804.55316	12.925	C46H78NO8P	PC	IAZOYEPAZWFAAV-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC(39:6)	820.58386	13.535	C47H82NO8P	PC	QHATYFPXHQPREY-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC
PC(40:6)	834.60004	13.72	C48H84NO8P	PC	SUSAZHLUBGMSDJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCC=CCC=CCC
PC(40:8)	830.56732	13.096	C48H80NO8P	PC	BFCSBEFTXQRIOJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC
PC(O-34:1)	746.60461	13.909	C42H84NO7P	EtherPC	OVZJGEFUWZPYRW-UHFFFAOYSA-N	O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC=CCCCCCCCCCC
PC(O-34:2)	744.58929	13.643	C42H82NO7P	EtherPC	WBAZRZTVRJLENP-UHFFFAOYSA-N	O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC=CCC=CCCCCCCC
PC(O-34:3)	742.5744	13.592	C42H80NO7P	EtherPC	MIKWCKCBCDZUNB-UHFFFAOYSA-N	O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCC=CCC=CCC=CCCCCCCC
PC(O-36:2)	772.62158	14.033	C44H86NO7P	EtherPC	MFLNWJCWDLDCLH-UHFFFAOYSA-N	O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC
PC(O-36:4)	768.58887	13.625	C44H82NO7P	EtherPC	AMIRMXUBGHUMRM-UHFFFAOYSA-N	O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC
PC(O-36:5)	766.57172	13.58	C44H80NO7P	EtherPC	RDKCYWXIOLUDKK-UHFFFAOYSA-N	O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC
PC(O-38:4)	796.62091	14.007	C46H86NO7P	EtherPC	JZNRQLVUHAJDFY-UHFFFAOYSA-N	O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC
PC(O-38:5)	794.60394	13.685	C46H84NO7P	EtherPC	XDRAHGUDUSFGRJ-UHFFFAOYSA-N	O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC
PC(O-38:6)	792.58942	13.587	C46H82NO7P	EtherPC	LYVCXQZOQYYLAM-UHFFFAOYSA-N	O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC
PC(O-39:3)	812.65417	15.581	C47H90NO7P	EtherPC	BICZDUAHLDHNDU-UHFFFAOYSA-N	O=C(OC(COCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC
PC(O-40:7)	818.60364	13.646	C48H84NO7P	EtherPC	VQFHSIDWVIVATB-UHFFFAOYSA-N	O=C(OC(COCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC
PC_Na(34:2)	780.55115	13.317	C42H80NO8P	PC	DMKGBZJOEARPBA-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC_Na(36:2)	808.58105	13.763	C44H84NO8P	PC	ANCOIGUVGMVZMF-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC_Na(36:4)	804.55023	13.289	C44H80NO8P	PC	ROAWVQALUMGMDA-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC_Na(36:5)	802.53357	13.078	C44H78NO8P	PC	CQFURSURYXJXCF-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC_Na(38:4)	832.58221	13.745	C46H84NO8P	PC	FJQQQTLUYGFYFW-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC_Na(38:6)	828.55035	13.272	C46H80NO8P	PC	KKVDMSZJVFAMDW-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PC_Na(40:6)	856.58038	13.699	C48H84NO8P	PC	ITSVFHIEQXZXCM-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC
PE(15:0_18:1(d7))	711.56622	13.535	C38H67D7NO8P	PE	ADCNXGARWPJRBV-RGLIIYCRNA-N	[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O
PE(34:2|16:0_18:2)	716.52222	13.472	C39H74NO8P	PE	HBZNVZIRJWODIB-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC
PE(36:2|18:0_18:2)	744.55286	13.892	C41H78NO8P	PE	YDTWOEYVDRKKCR-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC
PE(36:3)	742.53937	13.58	C41H76NO8P	PE	GKAFCSRKMWFPSJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC
PE(36:4)	740.52283	13.482	C41H74NO8P	PE	NQIMLWFRWGTTOZ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC
PE(38:4)	768.55347	13.879	C43H78NO8P	PE	YEHAZLUVAZKVRO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC
PE(38:6)	764.52008	13.431	C43H74NO8P	PE	VHHWPJFJXPSEDR-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC
PE(40:6)	792.55255	13.837	C45H78NO8P	PE	IUUCCVDIGJJMTR-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC
PE(P-36:4|P-16:0_20:4)	724.52692	13.679	C41H74NO7P	EtherPE	YITZQGLIICATLN-UHFFFAOYSA-N	O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC
PE(P-38:6|P-16:0_22:6)	748.52832	13.649	C43H74NO7P	EtherPE	WVGALBKSWOUIEZ-UHFFFAOYSA-N	O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC
PE(P-40:4|P-20:0_20:4)	780.59082	14.373	C45H82NO7P	EtherPE	QVNQNWKELAFJOX-UHFFFAOYSA-N	O=C(OC(COC=CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC
PE(P-40:6|P-18:0_22:6)	776.55743	14.039	C45H78NO7P	EtherPE	FIJFPUAJUDAZEY-UHFFFAOYSA-N	O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC
PE(P-42:6|P-20:0_22:6)	804.58905	14.38	C47H82NO7P	EtherPE	GWWKPJFGKBNJDJ-UHFFFAOYSA-N	O=C(OC(COC=CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC
PG_NH4(15:0_18:1(d7))	759.58691	12.531	C39H68D7O10P	PG	CAKDJPLPYOYWLK-AHOXJELVNA-N	[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O)(=O)O
PI_NH4(34:2)	852.55853	12.402	C43H79O13P	PI	YHPPEKFMAUATQU-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC
PI_NH4(36:2)	880.58966	12.833	C45H83O13P	PI	MTZOYTZXXAANDJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC
PI_NH4(36:4)	876.56042	12.378	C45H79O13P	PI	XVKABIPRYODIOB-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC
PI_NH4(38:4)	904.58929	12.835	C47H83O13P	PI	DLTKHZSJDRZTDM-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC
PI_NH4(38:5)	902.57318	12.565	C47H81O13P	PI	VQQYLRVDQYUPMC-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC
SM(18:1;2O/18:1(d9))	738.64618	13.137	C41H72D9N2O6P	SM	NBEADXWAAWCCDG-KYPZZJCONA-N	[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
SM(32:1;2O|17:0;2O/15:1)	675.54242	12.491	C37H75N2O6P	SM	HRADLTVRIXGIIE-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCC
SM(33:1;2O)	689.5578	12.781	C38H77N2O6P	SM	REEYJRIAQSUMNO-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCC
SM(34:1;2O)	703.57355	13.036	C39H79N2O6P	SM	ASWNCHFNKSPKBK-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
SM(34:2;2O)	701.55768	12.639	C39H77N2O6P	SM	VYDHYGBBAHKWKG-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC
SM(36:1;2O)	731.6048	13.53	C41H83N2O6P	SM	IMSJPGOHOORVQA-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC
SM(36:2;2O|18:1;2O/18:1)	729.58887	13.171	C41H81N2O6P	SM	NBEADXWAAWCCDG-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
SM(40:1;2O)	787.66833	14.278	C45H91N2O6P	SM	QHMKUNDEIJYLPC-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC
SM(40:2;2O)	785.65167	14.011	C45H89N2O6P	SM	PJNPQSJGQGUEKZ-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCC=CCCCCCCCCCC
SM(41:1;2O)	801.68335	14.437	C46H93N2O6P	SM	BLDDOFPGXMISDI-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
SM(41:2;2O)	799.66809	14.174	C46H91N2O6P	SM	MUJUIOOFUNCSJZ-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCC=CCCCCCCCCCCCC
SM(42:1;2O|18:1;2O/24:0)	815.69867	14.589	C47H95N2O6P	SM	QEDPUVGSSDPBMD-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC
SM(42:2;2O)	813.68323	14.308	C47H93N2O6P	SM	SZQCLXFQTJNJDY-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC
SM(42:3;2O)	811.66724	14.055	C47H91N2O6P	SM	OSQDHYJRSISFIL-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC
SM_Na(34:1;2O)	725.55438	13.032	C39H79N2O6P	SM	ASWNCHFNKSPKBK-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
SM_Na(34:2;2O)	723.54041	12.675	C39H77N2O6P	SM	VYDHYGBBAHKWKG-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC
SM_Na(42:1;2O)	837.68237	14.657	C47H95N2O6P	SM	SJKQWVPGRUTFNL-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
SM_Na(42:2;2O)	835.66479	14.336	C47H93N2O6P	SM	SZQCLXFQTJNJDY-UHFFFAOYSA-N	O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC
ST_H-H2O(27:1;O)	369.35162	17.288	C27H46O	ST	HVYWMOMLDIMFJA-UHFFFAOYSA-N	OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
ST_H-H2O(27:2;O)	367.33609	16.647	C27H44O	ST	AVSXSVCZWQODGV-UHFFFAOYSA-N	OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC=C(C)C)C2(C)CC1
ST_H-H2O(28:1;O)	383.36725	17.137	C28H48O	ST	SGNBVLSWZMBQTH-UHFFFAOYSA-N	OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(C)C(C)C)C2(C)CC1
ST_H-H2O(29:1;O)	397.38239	17.226	C29H50O	ST	KZJWDPNRJALLNS-UHFFFAOYSA-N	OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(CC)C(C)C)C2(C)CC1
TG_Na(52:2|16:0_18:1_18:1)	881.75598	16.642	C55H102O6	TG	JFISYPWOVQNHLS-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_Na(52:3|16:0_18:1_18:2)	879.73822	16.424	C55H100O6	TG	KGLAHZTWGPHKFF-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_Na(52:4|16:0_18:2_18:2)	877.72491	16.174	C55H98O6	TG	LXAWUIOWWNQCQA-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_Na(54:2|18:0_18:1_18:1)	909.78595	17.057	C57H106O6	TG	RYNHWWNZNIGDAQ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_Na(54:3|18:1_18:1_18:1)	907.77185	16.735	C57H104O6	TG	PHYFQTYBJUILEZ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_Na(54:4|18:1_18:1_18:2)	905.755	16.5	C57H102O6	TG	JTMWOTXEVWLTTO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_Na(54:5|18:1_18:2_18:2)	903.73877	16.215	C57H100O6	TG	VVEBTVMJPTZDHO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_Na(54:6|18:2_18:2_18:2)	901.72308	16.064	C57H98O6	TG	HBOQXIRUPVQLKX-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC
TG_Na(56:8|16:0_18:2_22:6)	925.72516	16.044	C59H98O6	TG	RDZINTYLBOTMAU-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(44:0|13:0_15:0_16:0)	768.70789	15.953	C47H90O6	TG	IEAURLGZGLUCSC-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC
TG_NH4(44:1|12:0_16:0_16:1)	766.69037	15.753	C47H88O6	TG	OUKDNADVOQVFAR-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCC=CCCCCCC
TG_NH4(44:2|10:0_16:0_18:2)	764.67535	15.569	C47H86O6	TG	NYEYZZJCSHLJCF-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(45:0|14:0_15:0_16:0)	782.72296	16.076	C48H92O6	TG	RIBSYLFDZQICKH-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCC
TG_NH4(45:1|14:0_15:0_16:1)	780.70715	15.878	C48H90O6	TG	WPZBPGLDPHSUSA-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCC
TG_NH4(46:0|14:0_16:0_16:0)	796.73816	16.238	C49H94O6	TG	JWVXCFSNEOMSHH-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCC
TG_NH4(46:1|14:0_16:0_16:1)	794.72113	16.014	C49H92O6	TG	JYICXCHHKWVGEI-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCC
TG_NH4(46:2|14:0_14:1_18:1)	792.70605	15.817	C49H90O6	TG	UVAHIOIFDNNSJD-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(46:3|10:0_18:1_18:2)	790.6908	15.643	C49H88O6	TG	KJTNBMXTRCBORQ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(47:1|15:0_16:0_16:1)	808.73914	16.142	C50H94O6	TG	RCYIETYFTUBXFK-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCC
TG_NH4(47:2|15:0_15:1_17:1)	806.72272	15.946	C50H92O6	TG	QMEJKXDMSCPDTM-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCC
TG_NH4(48:0|14:0_16:0_18:0)	824.76923	16.559	C51H98O6	TG	JTDPHURHZMZJHD-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC
TG_NH4(48:1|14:0_16:0_18:1)	822.75391	16.3	C51H96O6	TG	GPXZOHHIWJNYTJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(48:2|14:0_16:0_18:2)	820.73767	16.076	C51H94O6	TG	YUIIXXZIUIOJQY-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(48:3|14:0_16:1_18:2)	818.72321	15.884	C51H92O6	TG	IWSNEFQVYNGXGZ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(48:4|12:0_18:2_18:2)	816.70728	15.698	C51H90O6	TG	QYGNVKAJARKXER-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(49:1|15:0_16:0_18:1)	836.76862	16.458	C52H98O6	TG	IVRUJYRTYXTTIH-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(49:2|15:0_16:1_18:1)	834.75183	16.253	C52H96O6	TG	ZSHVDBVWHRXKEV-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(49:3|15:0_16:1_18:2)	832.73718	16.011	C52H94O6	TG	CQSXCZMDDSQLAG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(50:0|16:0_16:0_18:0)	852.80115	16.892	C53H102O6	TG	DQKMNCLZNGAXNX-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
TG_NH4(50:1|16:0_16:0_18:1)	850.78503	16.599	C53H100O6	TG	YHMDGPZOSGBQRH-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(50:2|16:0_16:1_18:1)	848.77051	16.356	C53H98O6	TG	TWJCMQZMAPGUSG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(50:3|16:0_16:1_18:2)	846.75433	16.128	C53H96O6	TG	HDFLQJUGWGNORO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(50:4|14:0_18:2_18:2)	844.73682	15.923	C53H94O6	TG	UVOGHPPAYFAQIT-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(50:5|14:0_18:2_18:3)	842.72296	15.78	C53H92O6	TG	BVZCCLFFAYZNFZ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC
TG_NH4(51:1|16:0_17:0_18:1)	864.80139	16.763	C54H102O6	TG	RHDRMOUSDQDVCE-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(51:2|16:0_17:1_18:1)	862.78485	16.512	C54H100O6	TG	QLIUVBJPQMDRHV-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(51:3|15:0_18:1_18:2)	860.7691	16.261	C54H98O6	TG	AFUGNQFGFOCTMS-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(51:4|15:0_18:2_18:2)	858.75507	16.049	C54H96O6	TG	MIHLTJZHRJACQQ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(52:0|16:0_18:0_18:0)	880.83185	17.26	C55H106O6	TG	SDNYRTVJOFMYIW-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
TG_NH4(52:1|16:0_18:0_18:1)	878.8175	16.938	C55H104O6	TG	NPCZZYKITFKRQZ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(52:2|16:0_18:1_18:1)	876.80084	16.648	C55H102O6	TG	JFISYPWOVQNHLS-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(52:3|16:0_18:1_18:2)	874.78503	16.406	C55H100O6	TG	KGLAHZTWGPHKFF-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(52:4|16:0_18:2_18:2)	872.77026	16.182	C55H98O6	TG	LXAWUIOWWNQCQA-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(52:5|16:0_18:2_18:3)	870.75354	15.995	C55H96O6	TG	MVAGPZSVOSGBMR-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC
TG_NH4(52:6|16:1_18:2_18:3)	868.73724	15.847	C55H94O6	TG	NOOJQDXMGLPOOA-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCCCCCC=CCC=CCC=CCC
TG_NH4(52:7|18:1_16:3_18:3)	866.72186	15.705	C55H92O6	TG	LZGJVZWAEFTSNX-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCC=CCC
TG_NH4(53:1|17:0_18:0_18:1)	892.83246	17.128	C56H106O6	TG	CTYHEFNQFHZLTL-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(53:2|16:0_18:1_19:1)	890.81775	16.819	C56H104O6	TG	IDUAWMUEKRFTEE-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCCC
TG_NH4(53:3|17:0_18:1_18:2)	888.8009	16.553	C56H102O6	TG	NIBMDPFMDDQNNX-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(53:4|17:1_18:1_18:2)	886.78442	16.316	C56H100O6	TG	VESVDAJIPQIOEH-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(53:5|18:1_17:2_18:2)	884.76886	16.103	C56H98O6	TG	MMPUZZMLBCMFDC-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(54:0|16:0_18:0_20:0)	908.86499	17.67	C57H110O6	TG	DHDAMQPBPJWJEI-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
TG_NH4(54:1|16:0_20:0_18:1)	906.84839	17.323	C57H108O6	TG	JCVFZHFBLDWEFA-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(54:2|16:0_18:1_20:1)	904.83167	17.001	C57H106O6	TG	FPUBLSPUCGHELU-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCC=CCCCCCCCC
TG_NH4(54:3|18:0_18:1_18:2)	902.81494	16.714	C57H104O6	TG	CNGSOZKJBWHOEG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(54:4|18:1_18:1_18:2)	900.79865	16.464	C57H102O6	TG	JTMWOTXEVWLTTO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(54:5|18:1_18:2_18:2)	898.78583	16.232	C57H100O6	TG	VVEBTVMJPTZDHO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(54:6|16:0_18:2_20:4)	896.77032	16.135	C57H98O6	TG	NPELAMJIYLFQEL-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC
TG_NH4(54:6|18:1_18:2_18:3)	896.77051	16.051	C57H98O6	TG	OTUIORVXGJUHBH-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCC=CCC
TG_NH4(54:7|18:2_18:2_18:3)	894.75238	15.941	C57H96O6	TG	NGPHUAVENUDDAO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCC=CCC
TG_NH4(54:8|16:1_18:2_20:5)	892.73743	15.777	C57H94O6	TG	WVSDNSFUOYSLDY-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(55:1|16:0_21:0_18:1)	920.86542	17.511	C58H110O6	TG	UOSRCCMWCCFWRP-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(55:2|18:0_19:0_18:2)	918.8479	17.169	C58H108O6	TG	LOMDHLAHJCSJPJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(55:3|19:0_18:1_18:2)	916.83063	16.875	C58H106O6	TG	HGBRTIWMKISQHH-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(55:7|16:0_18:2_21:5)	908.76862	16.083	C58H98O6	TG	QTSSTSCQCNNCAZ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(56:1|16:0_22:0_18:1)	934.87836	17.722	C59H112O6	TG	KVLYQVRJXYJGRU-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(56:10|18:2_18:3_20:5)	916.73822	15.697	C59H94O6	TG	FTNSTQXEJOMCOI-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(56:2|18:0_18:1_20:1)	932.86493	17.373	C59H110O6	TG	OWMDNFFJJVRJMG-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCC=CCCCCCCCC
TG_NH4(56:3|18:0_20:1_18:2)	930.84851	17.047	C59H108O6	TG	QJRMAUGZWXXFNC-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(56:4|18:1_20:1_18:2)	928.83215	16.764	C59H106O6	TG	RHGAXCJSYVVFNV-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(56:5|18:0_18:1_20:4)	926.81464	16.629	C59H104O6	TG	NMOSKFDAUMPINK-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC
TG_NH4(56:6|16:0_18:1_22:5)	924.80072	16.398	C59H102O6	TG	PIUUVQYTIKPYIJ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(56:7|18:1_18:2_20:4)	922.78351	16.251	C59H100O6	TG	WSZCBVABHNUPSE-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC
TG_NH4(56:8|18:1_18:2_20:5)	920.76965	16.051	C59H98O6	TG	XMEDLHXPFLTJAC-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(56:9|16:1_18:2_22:6)	918.75232	15.835	C59H96O6	TG	NPWRXJYSKONMPV-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(57:1|16:0_23:0_18:1)	948.89423	17.923	C60H114O6	TG	CBVGGWUJVCFCCO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(58:1|16:0_24:0_18:1)	962.91235	18.171	C61H116O6	TG	IWHAIDBTHLHHMB-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(58:10|18:1_20:4_20:5)	944.77008	15.926	C61H98O6	TG	KHNMVUXCIUHLCK-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(58:11|18:2_20:4_20:5)	942.75238	15.774	C61H96O6	TG	UGZBFOQDGPJMST-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(58:2|22:0_18:1_18:1)	960.89618	17.787	C61H114O6	TG	MAWRDGRSFXIWKV-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
TG_NH4(58:3|22:0_18:1_18:2)	958.87964	17.436	C61H112O6	TG	AMDSHUSILZVWMX-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(58:4|18:1_22:1_18:2)	956.86237	17.111	C61H110O6	TG	COGBIGLYXFERSM-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC
TG_NH4(58:6|18:0_18:2_22:4)	952.83331	16.67	C61H106O6	TG	ZXLOTZMENJTGDI-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC
TG_NH4(58:7|16:0_18:1_24:6)	950.81702	16.477	C61H104O6	TG	CQWYOIXYJYCQPL-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(58:8|18:1_18:1_22:6)	948.80048	16.312	C61H102O6	TG	QFVBKJOYLFHVKV-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(58:9|18:1_18:2_22:6)	946.78406	16.107	C61H100O6	TG	RLAPDVQGJNAHOC-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(60:10|18:1_20:4_22:5)	972.80115	16.245	C63H102O6	TG	XOYSWGHQVMLVFO-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(60:11|18:1_20:4_22:6)	970.78589	16.049	C63H100O6	TG	YDCWNPRKDZMBHL-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(60:12|18:2_20:4_22:6)	968.76953	15.878	C63H98O6	TG	VVQOCJRHOCGAET-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(60:13|18:2_20:5_22:6)	966.75311	15.71	C63H96O6	TG	GKGVYCDLFAHWTQ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(60:8|18:1_20:1_22:6)	976.83142	16.555	C63H106O6	TG	YNFNQTHMVAZPPY-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(60:9|18:1_18:2_24:6)	974.81519	16.352	C63H104O6	TG	JUCRAOVBUUHPMF-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(62:13|18:1_22:6_22:6)	994.78516	15.983	C65H100O6	TG	PTACBPKQWASVGS-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(62:14|18:2_22:6_22:6)	992.76801	15.805	C65H98O6	TG	NVRVRYSEUZDNFH-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(64:16|20:4_22:6_22:6)	1016.76892	15.759	C67H98O6	TG	MOGDFJVSJLJGTK-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
TG_NH4(66:18|22:6_22:6_22:6)	1040.77075	15.707	C69H98O6	TG	SOFMPBOQLPVEQZ-UHFFFAOYSA-N	O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC
METABOLITES_END
#END