Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST000692

(Analysis AN001069): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22	F23	F24	F25	F26	F27	F28	F29
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-	4335.00	4522.00	-	2257.00	-	4796.50	-	2152.00	-	2015.00	1329.00	2831.00	2620.00	-	-	-	-	6648.00	-	-	-	9626.00	-	-	2346.00	3505.00	2995.00	1040.00	2849.00
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5458.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-	-	-	-	17863.00	-	15847.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-	413346.50	26486.50	158847.00	682582.00	656011.00	152972.00	-	5251.00	-	37688.00	212480.50	8010.00	268799.00	-	-	-	17623.00	14440.00	-	-	-	14122.50	-	-	-	-	-	-	-
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-	40196.50	8962.00	28786.00	3712.00	-	40854.00	-	3623.00	1042.00	21668.00	44454.00	14061.00	24226.00	2588.00	13338.00	2428.00	-	-	-	2759.00	-	-	-	-	-	-	-	-	-
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-	1829294.50	607796.00	3600815.00	432942.00	4240500.00	1891451.00	27518.00	85705.00	-	2337119.00	2605189.50	1775663.00	2390139.00	53995.00	252552.00	89519.00	45229.00	43241.00	38255.00	85717.00	12411.00	68269.50	94468.00	13300.00	29465.00	21691.00	54484.50	13407.00	49408.50
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-	21738.50	5446.00	-	6563.00	15973.00	12485.00	-	11152.00	20751.00	-	-	-	7867.00	6702.00	16409.00	6731.00	2410.00	-	2003.00	2835.00	-	-	-	-	-	-	2834.00	1264.00	-
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M-H)-	4628.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-	-	-	-	5234.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
1-METHYLADENOSINE (CAS# 15763-06-1); (M+HCOO)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	2023.00	-	-
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	61762.00	-	-	-
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-	13776.00	3514.00	6478.00	-	23029.00	6564.00	-	-	-	2426.00	-	1695.00	1676.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-	-	-	-	-	-	-	-	-	13516.00	-	10183.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-	6741.00	4614.00	-	1493.00	-	4879.00	-	-	-	-	-	-	2047.00	-	-	-	-	-	-	-	-	-	-	-	-	-	4691.00	-	-
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-	25769.00	19770.00	11192.00	1493.00	13612.00	19260.00	-	-	5906.00	1707.00	71314.00	-	26548.00	-	-	-	-	1091.00	-	-	-	-	-	-	-	-	1105.00	-	-
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-	-	-	-	-	-	-	-	27055.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE (CAS# 1032-65-1); (2M-H)-	-	-	-	-	1525.00	-	-	-	-	6343.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE (CAS# 1032-65-1); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	3144.00	-	-	-	-	-	-	-
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-	-	-	-	-	-	-	-	-	-	-	-	-	357050.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-	-	-	-	44347.00	-	-	-	-	-	-	-	-	-	-	24741.00	-	5233.00	-	-	19907.00	-	22004.00	-	-	-	-	-	-	-
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-	-	-	-	158176.00	70115.00	-	-	121614.00	-	-	48592.00	-	141937.00	-	227283.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)-	-	-	-	20283.00	-	-	59542.00	-	30644.00	-	2760.00	-	71268.00	-	-	10620.00	-	-	46446.00	-	-	-	-	10933.00	-	-	-	-	-
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-	178495.00	258614.50	164658.00	88061.00	285419.00	199431.00	443118.00	1202569.00	-	343750.00	-	-	219929.00	339793.00	181107.00	-	186577.00	262726.00	185237.00	185051.00	359781.00	231693.00	722575.00	1206157.00	515017.00	524409.00	521946.00	-	-
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)-	17345.00	30398.00	10646.00	6255.00	32723.00	19279.00	79070.00	151175.00	129483.00	-	-	-	-	-	14683.00	-	2456.00	-	-	17315.00	-	-	-	-	233628.00	-	-	-	-
2-HYDROXYBUTYRATE (CAS# ); (M-H)-	74719.00	114915.00	-	-	-	81370.00	-	-	-	-	9507.50	-	31061.00	-	-	-	21230.50	114116.00	-	-	-	60681.00	-	-	-	-	-	-	-
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-	-	-	-	-	-	-	10775.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-	-	-	5543.00	227454.00	19152.00	-	-	-	301966.00	3451.00	445620.50	279369.00	322882.00	-	-	-	-	-	-	-	-	-	-	-	-	69889.00	290379.00	-	296936.00
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-	-	-	-	-	-	-	124370.00	104831.00	-	34714.00	-	102443.00	67737.00	-	-	-	23241.00	-	20370.00	-	-	-	126150.00	136157.00	-	-	145012.00	-	113900.00
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (2M-H)-	-	-	-	-	-	-	-	-	-	-	1971.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-	22019.00	44345.50	14580.00	7223.00	42827.00	24057.50	70388.00	184086.00	-	-	-	-	-	-	-	-	-	61877.00	12557.00	13820.00	36220.00	23944.00	-	-	-	-	-	-	-
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5667.00	-	-	-	-	-	-	-	-	-	-	7741.00	-
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-...	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	3646.00	-	-	-	-	-	-	-	-	-	-	-	-
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)-	-	-	-	-	-	24072.00	-	-	-	-	58753.00	18864.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	14582.00	-	-
3^-CMP (CAS# 63-37-6); (M-H)-	-	-	-	192116.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)-	-	-	-	-	-	-	1319.00	-	5035.00	-	-	-	8841.00	-	-	-	-	-	-	-	-	3302.00	-	-	3197.00	-	4489.00	-	-
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-	401412.00	274045.00	308679.00	236066.00	527075.00	254674.50	285206.00	331715.00	309174.00	47588.00	382247.50	28585.00	378478.00	321440.00	418196.00	297976.00	248756.50	260544.00	334510.00	-	387048.00	215314.00	333601.00	268915.00	268762.00	-	142062.00	-	414194.00
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-	-	-	-	-	-	-	8298.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-	-	-	-	-	-	-	-	-	-	1252.00	1510.00	-	1378.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-	-	-	-	2831.00	-	42864.00	71657.00	56397.00	27340.00	-	94687.00	-	232643.00	132259.00	-	261841.00	-	-	-	-	-	-	167240.00	96404.00	57842.00	651349.00	58030.00	-	70090.00
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M+HCOO)-	-	-	-	55484.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	3870.00	-	2204.00	-	-	-	-	-	-	-	-	2839.00	4724.00	9303.00	-	7249.00
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-	6819.50	6923.00	5761.00	2343.00	7235.00	4767.00	6666.00	5864.00	8947.00	7931.00	7079.50	5950.00	6803.00	8345.00	3711.00	5281.00	5147.50	6430.00	8136.00	4274.00	3381.00	4976.00	6783.00	-	9450.00	3914.00	7365.50	5463.00	6255.50
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-	-	-	-	-	-	-	15922.00	-	-	-	-	-	-	27998.00	-	-	-	-	-	-	-	-	-	-	10536.00	-	-	12902.00	-
3-OXALOMALATE (CAS# 89304-26-7); (M-H)-[-H2O]	-	-	1838.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-	555781.00	486857.00	521730.00	103382.00	491784.00	597542.50	279073.00	605384.00	-	-	114154.00	27377.00	458738.00	-	-	-	-	-	-	-	-	-	-	-	36791.00	-	-	-	-
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-	128358.00	124877.00	-	-	-	244659.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-	17748.00	-	-	-	-	163221.00	-	-	-	-	-	-	-	-	187160.00	-	-	-	-	197468.00	-	144409.00	-	-	-	-	-	-	-
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1070969.00	-	-	-	-	-	866568.00	-	570591.00
4-COUMARATE (CAS# 501-98-4); (M-H)-	-	-	12828.00	-	-	-	-	-	2872.00	1154802.00	6426.00	823354.00	7386.00	-	-	-	-	-	-	-	-	-	-	-	-	1023438.00	-	805599.00	10945.00
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 4...	18839.00	1559.00	-	4353.00	-	-	-	-	1979.00	-	-	-	-	-	5083.00	-	-	27522.00	-	11468.00	-	13807.50	-	-	-	-	-	-	-
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-	35209.50	43886.50	23492.00	16288.00	31146.00	37480.50	-	-	-	-	-	12959.00	-	-	15139.00	-	23564.00	42564.00	23611.00	23126.00	23971.00	28346.50	-	-	-	22932.00	19369.00	14076.00	-
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-	4795.00	11419.00	-	-	-	6843.00	13173.00	23213.00	-	9696.00	-	-	-	-	-	-	-	-	-	-	-	1762.50	-	-	-	-	14965.00	-	-
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-	306131.50	-	65965.00	95051.00	-	186927.50	341264.00	878275.00	1156427.00	-	86749.00	185227.00	176750.00	50547.00	-	44343.00	-	-	223451.00	310093.00	-	484157.00	-	-	2930268.00	-	148342.00	-	275595.00
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-	306131.50	-	65965.00	95051.00	-	186927.50	355321.00	878275.00	1155978.00	-	86749.00	184915.00	176750.00	50547.00	-	44343.00	-	-	223451.00	310093.00	-	484157.00	-	-	2929172.00	-	148342.00	-	-
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-	57418.00	72922.00	83942.00	14840.00	81800.00	84943.00	38709.00	31671.00	45344.00	5547.00	28144.00	45140.00	69594.00	108336.00	-	17953.00	2161.00	5323.50	-	1919.00	-	161070.00	170735.00	61740.00	70693.00	24004.00	23241.00	101804.00	22333.00
4-NITROPHENOL (CAS# 100-02-7); (M-H)-	-	-	-	-	-	-	10219.00	-	28130.00	-	11852.00	8833.00	7732.50	5706.00	-	4782.00	-	-	-	-	-	-	3737.00	-	3232.00	4834.00	7544.00	4511.00	7538.00
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-	25558.50	19415.50	16976.00	4596.00	35763.00	33400.00	-	-	-	-	-	-	-	-	32612.00	-	24083.50	27464.00	27039.00	-	40656.00	28755.50	-	-	-	-	-	-	-
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M-H)-	-	-	-	-	-	-	-	-	-	-	6145.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-	647106.00	1068960.50	614669.00	318357.00	680957.00	567959.00	191484.00	182096.00	195512.00	-	316389.00	-	332750.00	-	184812.00	273666.00	466225.50	1037858.50	503189.00	717904.00	268195.00	560051.50	165832.00	46299.00	315448.00	329718.00	428445.00	-	431678.00
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-	88233.00	144791.50	27061.00	11967.00	138709.00	117321.50	363028.00	-	95509.00	-	131275.50	103577.00	111887.50	-	8841.00	-	72400.00	82524.00	78136.00	-	-	73110.50	128250.00	-	131941.00	164589.00	195567.50	159379.00	166267.50
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M-H)-[-H2O]	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	6635.00	-	-	-	-	-	-	-	-	-	-	-
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-	-	-	-	-	-	-	-	60709.00	56702.00	-	-	86014.00	-	-	-	-	-	-	-	-	-	-	-	-	-	162666.00	-	-	-
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-	-	21795.00	278648.00	43490.00	251772.00	58023.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	102766.00	-	-	-	-	-	-	-
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	47043.00	-	-	-	-	-	-	-	-	-	-	-	-	-
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-	-	-	-	-	-	-	-	40184.00	9156.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-	25200000.00	27250000.00	12000000.00	23500000.00	1327150.00	23250000.00	15700000.00	15400000.00	16600000.00	-	13766891.50	-	18050000.00	13300000.00	16200000.00	13300000.00	19250000.00	20550000.00	13900000.00	20900000.00	-	20950000.00	13200000.00	12300000.00	14800000.00	-	16300000.00	-	16150000.00
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-	6819.50	6923.00	4994.00	2343.00	7235.00	4767.00	6666.00	5864.00	8947.00	7931.00	7079.50	5950.00	6803.00	8345.00	3711.00	5281.00	5147.50	6430.00	8136.00	4274.00	3381.00	4976.00	6783.00	-	9450.00	4558.00	7365.50	5463.00	9243.00
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)-	-	-	-	-	-	8542.00	-	-	-	-	-	-	-	-	-	-	-	-	-	3058.00	-	1070.00	-	-	-	-	-	-	-
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)-	-	-	-	-	-	-	-	-	-	-	3693.00	-	-	-	38301.00	-	-	-	-	-	12844.00	-	-	-	-	-	-	15842.00	-
ACETOACETATE (CAS# 541-50-4); (M-H)-	5879.00	20861.00	5487.00	-	-	12735.00	5787.00	-	7748.00	-	1007.00	6794.00	7531.50	17937.00	1323.00	14845.00	-	6284.00	-	-	-	3825.50	2459.00	13445.00	8974.00	6275.00	12088.00	-	11754.00
ACETOACETYL-COA (CAS# 1420-36-6); (M-H)-	-	-	-	-	-	-	-	-	-	-	1015.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ADENINE (CAS# 73-24-5); (M-H)-	-	-	-	275528.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+	-	-	-	-	-	5275.00	3889.00	14044.00	-	-	-	-	6249.00	-	-	2886.00	-	-	-	-	-	-	-	-	-	-	-	10681.00	-
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-	1105829.50	114825.00	-	-	-	93911.50	-	261204.00	239772.00	-	-	-	93964.00	246882.00	795352.00	212246.00	-	-	-	-	-	2727593.00	1139.00	417768.00	-	1859.00	-	-	-
ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)-	-	-	3974.00	-	2590.00	1144.00	13421.00	14151.00	13650.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ADENOSINE (CAS# 58-61-7); (M+CL)-	-	-	-	158176.00	70115.00	-	-	120954.00	44119.00	-	46980.00	-	113264.00	-	227283.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ADENOSINE (CAS# 58-61-7); (M+HCOO)-	393598.50	98837.50	273006.00	773998.00	203447.00	295664.00	328494.00	950692.00	94407.00	33805.00	119919.00	165795.00	266177.50	-	1325681.00	-	34593.00	-	-	72762.00	-	-	11724.00	-	-	-	-	59449.00	-
ADPGLUCOSE (CAS# ); (M-H)-	-	-	-	2982.00	-	-	-	-	-	-	-	-	65193.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ADP-RIBOSE (CAS# ); (M-H)-	2786.00	-	-	1901.00	-	6292.00	-	116266.00	-	-	2711.00	-	26858.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	2467.00
AHBA (CAS# 76045-71-1); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5667.00	-	-	-	-	-	-	-	-	-	-	7741.00	-
ALDOSTERONE (CAS# 52-39-1); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	1449.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ALLANTOIN (CAS# 97-59-6); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1496.00	-	-	-	-	-	-	-	-
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]	447570.50	271940.50	227353.00	234715.00	524669.00	365106.00	282781.00	331715.00	312612.00	49759.00	382247.50	311004.00	377326.00	328877.00	418196.00	297976.00	245127.00	264082.00	228893.00	177987.00	387048.00	240408.00	333601.00	268915.00	268762.00	232960.00	144171.00	-	299308.50
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)-	1813.00	-	334040.00	976763.00	10139.00	146876.00	1468177.00	-	1250506.00	7675.00	1039075.50	-	1185782.00	866886.00	-	707158.00	-	-	-	-	2468.00	-	654091.00	990570.00	-	-	559163.00	-	639902.00
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-	74719.00	114915.00	-	-	-	81370.00	-	-	-	-	8794.50	-	31061.00	-	-	-	21230.50	112489.50	-	-	-	60681.00	-	-	-	-	-	-	-
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-	80031.00	83856.00	142023.00	99950.00	280551.00	112358.00	103584.00	102881.00	292883.00	213454.00	360620.50	191878.00	143985.00	153148.00	169097.00	142610.00	171983.50	132360.00	146774.00	141281.00	110976.00	99320.00	113626.00	102120.00	106427.00	129232.00	150272.50	110767.00	110381.00
ARABITOL (CAS# 7643-75-6); (M+CL)-	-	-	-	3323.00	-	-	-	-	-	4840.00	-	-	-	-	-	-	-	-	-	-	-	-	-	488979.00	591771.00	-	-	163226.00	-
ARABITOL (CAS# 7643-75-6); (M+HCOO)-	-	-	-	-	-	-	-	-	1255.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-	38151.00	7130.50	30000.00	3074.00	29362.00	15837.50	-	-	-	7396.00	6478.50	4527.00	29714.50	1467.00	2676.00	1157.00	2426.00	2744.00	4230.00	3466.00	-	3057.00	1311.00	1461.00	1231.00	2483.00	1795.00	1390.00	1427.00
ARACHIDONATE (CAS# 506-32-1); (M-H)-	1303547.00	1239639.50	1986230.00	110118.00	3096185.00	1029283.00	1767.00	1455493.00	4240182.00	814705.00	494800.50	630237.00	1430083.00	243743.00	462021.00	258997.00	348366.00	436076.00	795474.00	457336.00	806773.00	346803.00	1919.00	128552.00	244408.00	153302.00	88328.00	191250.00	169200.00
ASPARAGINE (CAS# 70-47-3); (M-H)-	245307.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ASPARTATE (CAS# 56-84-8); (M-H)-	249514.00	216745.00	358331.00	1242251.00	61894.00	192499.00	36732.00	96824.00	77287.00	-	58566.00	24339.00	42563.00	-	99462.00	-	114562.50	79137.50	-	179965.00	42525.00	-	-	37078.00	38601.00	-	-	19079.00	30172.00
AZELAIC ACID (CAS# 123-99-9); (M-H)-	177719.00	137076.50	126791.00	57242.00	150183.00	117539.00	51451.00	55649.00	67487.00	61882.00	67539.00	49718.00	60477.00	69308.00	45464.00	37387.00	80593.50	162955.00	114444.00	73932.00	92901.00	90436.50	43388.00	36055.00	46402.00	33861.00	44664.50	48876.00	55843.50
BEHENIC ACID (CAS# 112-85-6); (M-H)-	-	-	2718.00	4191.00	1937.00	-	-	-	-	-	-	3157.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-	4795.00	11419.00	-	-	-	6843.00	13173.00	23213.00	-	-	-	-	-	-	-	-	-	-	-	-	-	1762.50	-	-	-	-	-	-	-
BETA-ALANINE (CAS# 107-95-9); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	1619.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]	-	47359.00	62972.00	47916.00	-	127579.00	-	-	157372.00	-	28097.50	-	-	-	-	-	16221.50	-	-	-	-	5968.00	-	-	-	-	-	-	-
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]	-	-	6970.00	-	-	-	-	1023.00	-	-	-	-	-	-	-	-	-	-	16763.00	-	-	-	-	-	-	-	-	-	-
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-	796325.00	269897.00	1358943.00	348396.00	477411.00	-	-	-	-	-	2816900.00	-	2600213.00	-	2686671.00	1700612.00	-	164922.00	1211183.00	-	480721.00	808321.00	-	1792434.00	1429315.00	1946752.00	1400810.50	-	1355394.50
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-	21685.00	-	2044.00	5075.00	22367.00	24149.00	-	69051.00	-	-	82619.00	-	97915.00	70654.00	-	65814.00	-	25817.00	-	-	-	3216.00	-	-	-	-	-	-	-
BIOTIN (CAS# 58-85-5); (M-H)-	-	-	-	18087.00	-	-	-	-	21211.00	149290.00	22169.00	74340.00	27737.50	30700.00	-	21921.00	-	-	-	-	-	-	-	1204.00	21814.00	72551.00	53676.50	24349.00	56795.50
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)-	-	14664.00	-	1981.00	-	6643.00	55827.00	51137.00	-	-	6611.00	22411.00	13629.00	-	-	-	-	-	-	-	-	2156.00	52347.00	-	-	8052.00	7739.00	-	6822.00
BOC-ALA-OH (CAS# 15761-38-3); (M-H)-	-	2736.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
BOC-ASN (CAS# 7536-55-2); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	1330.00	2010.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1738.00
BOC-PRO-OH (CAS# 15761-39-4); (M-H)-	-	-	-	-	-	24823.00	-	-	-	1500.00	-	-	-	-	3589.00	-	3355.00	87430.00	-	-	-	6979.50	18097.00	12585.00	-	-	-	30229.00	2215.00
BOC-SER-OH (CAS# 3262-72-4); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1507.00	-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...	192264.00	2849.00	-	2870.00	-	171583.00	-	1349.00	3438.00	-	6098.00	-	241214.00	-	-	-	8780.00	-	-	-	-	-	-	-	-	-	-	-	-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...	-	-	-	-	-	-	-	-	-	-	-	-	7342.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-	3700.00	-	-	-	1481.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CARNOSINE (CAS# 305-84-0); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1590.00	-	-	-	-	-	-	-	-	-	-	-	-
CATECHOL (CAS# 120-80-9); (M-H)-	-	-	-	-	3043.00	-	-	-	-	-	-	-	-	-	-	-	3467.50	3988.00	3917.00	4225.00	3034.00	2126.00	1066.00	-	-	-	-	-	-
CELLOBIOSE (CAS# 528-50-7); (M+CL)-	796325.00	269897.00	1358943.00	348396.00	477411.00	-	-	-	-	-	2816900.00	-	2600213.00	-	2686671.00	1700612.00	-	164922.00	1211183.00	-	481847.00	810266.00	-	1792434.00	1429315.00	1946752.00	1400810.50	-	1355394.50
CHOLATE (CAS# 81-25-4); (M-H)-	8081.00	12795.00	-	-	-	-	-	-	-	-	-	2482.00	6214.00	-	8309.00	-	7798.00	-	7666.00	-	11618.00	4700.00	-	-	-	-	-	-	-
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-H)-	-	-	-	15936.00	-	5947.00	-	-	-	7299.00	-	-	-	-	-	-	4081.00	-	-	-	-	-	-	-	-	-	-	-	-
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-	-	-	-	15153.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-	223510.00	45786.50	39759.00	1278.00	317576.00	168782.00	4640.00	-	2785.00	2102.00	166024.50	1254.00	194403.50	-	1981.00	-	6108.50	4088.00	4795.00	1692.00	1809.00	5180.50	-	-	-	-	2937.00	-	-
CIS-ACONITATE (CAS# 585-84-2); (M-H)-	363141.00	-	269160.00	243678.00	-	415227.00	930468.00	772808.00	1044764.00	460666.00	300587.00	227283.00	263489.00	574350.00	-	381189.00	-	365321.00	275815.00	-	-	311482.00	1785315.00	-	2635942.00	563909.00	579519.50	-	605069.00
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-	1278000.00	532712.00	355042.00	22383.00	1127632.00	741581.00	26379.00	61391.00	825907.00	60807.00	237229.50	44803.00	464420.50	129942.00	538551.00	124504.00	629434.50	471164.00	69017.00	30040.00	315282.00	417304.50	26907.00	29980.00	82782.00	9182.00	33567.00	9936.00	12034.00
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-	73031.50	52902.50	90841.00	208351.00	81872.00	74688.00	648787.00	600750.00	642229.00	334877.00	565990.00	373139.00	456374.50	185365.00	17143.00	224139.00	21385.50	-	15164.00	-	22617.00	24479.00	144630.00	195525.00	166722.00	111251.00	94874.50	89706.00	139661.50
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-	447844.50	399217.00	517750.00	445893.00	455487.00	445595.50	2303223.00	2049028.00	2315645.00	896566.00	1756317.00	930031.00	1111085.50	602556.00	150870.00	621380.00	169521.00	205904.50	163491.00	157314.00	192734.00	185808.00	509236.00	639821.00	574110.00	517189.00	453360.00	439648.00	578696.00
CITRAMALATE (CAS# 2306-22-1); (M-H)-	635910.00	2334289.00	228315.00	1236789.00	340139.00	1375703.50	196940.00	-	248958.00	622153.00	1380972.00	607532.00	1604294.50	285663.00	150373.00	329866.00	462681.50	1419243.50	270042.00	-	-	681510.50	221867.00	-	241014.00	264022.00	3521751.50	49602.00	3983244.00
CITRATE (CAS# 77-92-9); (M-H)-	27600000.00	27050000.00	20600000.00	9604769.00	-	25700000.00	22300000.00	15800000.00	19400000.00	-	20650000.00	-	21950000.00	27100000.00	32500000.00	27100000.00	32400000.00	33750000.00	28300000.00	33300000.00	-	35700000.00	27400000.00	26000000.00	23800000.00	1035543.00	25550000.00	581785.00	26150000.00
CITRULLINE (CAS# 372-75-8); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	114429.00	-	-	-	-	-	-	-	-
CMP (CAS# 63-37-6); (M-H)-	-	-	-	192116.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5537.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CORTISOL (CAS# 50-23-7); (M+CL)-	2622.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CORTISOL (CAS# 50-23-7); (M+HCOO)-	45045.00	-	-	-	-	44427.00	-	2852.00	3514.00	-	-	3723.00	35195.00	9335.00	-	6962.00	-	-	-	5434.00	-	-	3345.00	7439.00	7968.00	2512.00	1982.00	7916.00	2476.00
CORTISONE (CAS# 53-06-5); (M+CL)-	1695.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CORTISONE (CAS# 53-06-5); (M+HCOO)-	-	-	-	-	-	-	-	-	-	-	-	2952.00	-	2686.00	2387.00	1879.00	2102.00	1659.50	-	-	-	2703.00	-	1387.00	2525.00	-	-	-	-
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+CL)-	-	-	-	-	-	-	39861.00	48444.00	-	-	54278.00	33648.00	26797.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-	177719.00	137076.50	129258.00	57242.00	150183.00	117539.00	51451.00	55649.00	67487.00	61882.00	67539.00	49718.00	60441.00	69308.00	45464.00	37103.00	80593.50	162955.00	114206.00	73932.00	92901.00	90436.50	43388.00	36055.00	46402.00	33861.00	44664.50	48876.00	55843.50
CYSTATHIONINE (CAS# 56-88-2); (M-H)-	-	-	-	-	-	-	-	165272.00	120445.00	424532.00	-	147660.00	-	59192.00	-	175124.00	-	-	-	-	-	-	61674.00	-	59191.00	216171.00	-	138538.00	54275.00
CYSTINE (CAS# 56-89-3); (M-H)-	-	-	-	23804.00	-	-	50421.00	19029.00	-	28872.00	32603.00	-	19568.00	8249.00	17327.00	14204.00	-	-	3850.00	-	-	-	-	-	-	-	-	-	-
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-H)-	-	-	-	-	-	-	-	-	-	1089.00	1133.00	-	-	-	-	3904.00	-	-	-	-	-	-	-	3965.00	-	-	-	-	-
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)-	-	-	-	-	-	2625.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M-H)-	44343.00	37904.00	47007.00	18227.00	-	42118.00	-	-	-	8345.00	7443.00	-	-	17579.00	11640.00	-	24332.00	-	-	33098.00	-	30036.00	-	-	-	-	19497.00	-	-
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+HCOO)-	-	-	-	-	-	-	8266.00	-	3559.00	-	3332.00	4708.00	7568.00	-	-	-	-	-	-	-	-	-	-	22117.00	24065.00	-	-	-	-
CYTIDINE (CAS# 65-46-3); (M-H)-	19716.00	66458.00	-	160061.00	91251.00	-	-	-	-	-	-	-	-	-	8351.00	-	46984.50	-	-	-	17979.00	46324.50	-	-	-	-	-	-	-
CYTIDINE (CAS# 65-46-3); (M+HCOO)-	5664.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1558.00	-	-	-	21665.00	-	-	-
DAMP (CAS# 653-63-4); (M-H)-	-	-	-	-	-	-	2512.00	-	132180.00	-	-	-	-	7647.00	-	-	-	-	-	-	-	-	-	-	-	-	10290.00	-	-
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-	145202.50	162433.00	-	-	180611.00	146047.00	-	-	-	-	-	-	-	-	-	-	92488.00	62747.00	68742.00	-	44379.00	82893.00	-	-	-	-	-	-	-
DECANOATE (CAS# 334-48-5); (M-H)-	2008.00	2310.50	4172.00	-	-	2991.50	2739.00	-	-	-	2628.00	5404.00	3312.50	4036.00	3485.00	3372.00	2496.00	2208.00	-	4887.00	2808.00	2144.00	1472.00	1626.00	-	2854.00	4359.00	2560.00	2121.00
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-	-	-	-	-	-	-	78770.00	-	-	-	-	-	-	31048.00	-	-	-	-	-	-	-	-	-	47539.00	47176.00	24059.00	-	-	-
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-	-	-	-	20892.00	-	-	807890.00	-	1045474.00	-	-	-	-	927042.00	-	730580.00	-	-	-	-	-	-	1718175.00	-	2409437.00	877389.00	-	-	745731.00
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-	-	-	-	-	-	-	-	-	-	-	-	17568.00	-	-	-	-	-	8699.00	-	-	-	-	-	29295.00	-	-	7333.00	-	-
DEOXYADENOSINE (CAS# 16373-93-6); (M-H)-	-	-	-	14313.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
DEOXYADENOSINE (CAS# 16373-93-6); (M+HCOO)-	14823.00	-	-	12469.00	-	18768.00	-	-	-	-	-	-	15104.00	-	-	-	31244.00	52511.00	-	-	-	66807.00	-	-	-	-	-	-	-
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-	-	-	-	-	1740.00	-	-	-	7141.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-	121961.00	76830.50	99008.00	37994.00	-	84966.50	66192.00	66926.00	108000.00	59169.00	69684.00	84243.00	70164.00	51902.00	99083.00	51611.00	92602.50	101670.50	93134.00	94697.00	103433.00	92347.00	59389.00	50514.00	59835.00	51128.00	59723.50	45911.00	62414.50
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-	-	-	28787.00	-	-	-	-	-	-	-	-	-	-	-	-	18738.00	-	92796.50	-	-	-	-	-	-	-	52644.00	30276.00	-	-
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-	-	-	-	-	-	-	-	-	-	3350.00	-	2082.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-	1392.00	20349.00	-	-	-	-	147520.00	-	140854.00	-	-	-	-	-	-	-	-	9518.00	5403.00	-	12124.00	1925.00	-	-	39510.00	-	-	-	-
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-	-	-	221359.00	-	68478.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
DEOXYURIDINE (CAS# 951-78-0); (M-H)-	78902.50	35202.50	53707.00	14062.00	-	51138.50	40082.00	21512.00	16202.00	44824.00	30224.00	61199.00	53548.00	41384.00	-	-	80133.50	-	87647.00	57239.00	-	45866.00	-	32204.00	11427.00	-	28018.00	-	-
D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	49713.00	-	-	-	-
DGDP (CAS# 653-63-4); (M-H)-	-	-	-	-	-	-	2512.00	-	132180.00	-	-	5614.00	-	7647.00	-	-	-	-	-	-	-	-	-	-	-	-	10290.00	-	-
D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	167163.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	51721.00	147573.00	24973.00
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-	1813.00	1071.00	334040.00	258258.00	99475.00	218416.00	1468177.00	-	1250506.00	1461401.00	1041817.50	-	1187287.50	866886.00	-	707158.00	-	-	-	-	2468.00	-	654091.00	982321.00	-	-	555114.00	-	629580.00
DGMP (CAS# 902-04-5); (M-H)-	1105829.50	114825.00	-	-	-	93911.50	-	261204.00	71633.00	-	-	-	93964.00	246882.00	795352.00	212246.00	-	-	-	-	-	-	-	417768.00	-	-	-	-	-
DIACETYL (CAS# 431-03-8); (M+HCOO)-	23492.00	20646.50	-	17730.00	328987.00	-	6655.00	-	24424.00	376453.00	44752.00	22337.00	13533.00	10410.00	-	34388.00	-	32911.00	36137.00	-	180575.00	25411.00	22386.00	47758.00	35040.00	527576.00	-	-	38384.50
DIETHYLSTILBESTROL (CAS# 56-53-1); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1212.00	-	-	-	-	-	-	1469.00	-	-	-	1913.00	-	2259.00
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (2M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	6591.00	-	-	-	-	-	-	-	-	-	-	-	-
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-	-	-	-	-	-	-	-	-	-	5316.00	-	-	2257.00	-	-	-	-	-	-	-	-	-	3510.00	-	-	-	-	7007.00	-
D-LYXOSE (CAS# 1114-34-7); (M+CL)-	-	-	-	-	-	90745.00	148255.00	50852.00	8607.00	-	-	-	110413.50	237359.00	-	250229.00	-	-	-	-	-	-	79220.00	-	-	144789.00	151782.00	-	139860.50
D-LYXOSE (CAS# 1114-34-7); (M-H)-	-	76758.00	7133.00	4108.00	3531.00	3267.00	-	1347.00	1782.00	-	3344.00	-	2846.50	357686.00	-	314406.00	-	90604.50	-	-	-	86502.00	1973.00	3375.00	3486.00	463967.00	-	-	4325.00
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-	145202.50	162433.00	-	-	180611.00	146047.00	-	-	-	-	-	-	-	-	-	-	92488.00	62747.00	68742.00	-	44379.00	82893.00	-	-	-	-	-	-	-
D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	39453.00	-	-	-	-
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-	78959.00	71972.00	59258.00	-	101616.00	198619.00	-	218736.00	874721.00	330279.00	285414.00	179253.00	215220.00	41059.00	-	40712.00	-	-	-	-	-	-	-	26020.00	39090.00	46243.00	48670.00	41704.00	49087.00
D-ORNITHINE (CAS# 348-66-3); (M-H)-	39371.00	43922.00	199710.00	49765.00	284062.00	43999.00	40429.00	39681.00	80450.00	32579.00	-	72815.00	9121.00	-	-	-	116300.50	62245.00	402236.00	-	511367.00	140336.00	31884.00	24841.00	85429.00	54690.00	-	65241.00	11240.00
D-PSICOSE (CAS# 551-68-8); (M+CL)-	4333537.00	4316165.00	-	4164289.00	432290.00	2180824.50	326219.00	349425.00	461510.00	-	338160.50	89589.00	420205.00	270590.00	2799164.00	242511.00	3641952.50	2559038.50	-	3455201.00	2606136.00	3350758.50	322171.00	411781.00	-	364927.00	307166.00	-	285281.00
D-TAGATOSE (CAS# 87-81-0); (M+CL)-	4040524.00	4319791.00	-	4164289.00	433337.00	2178845.00	326219.00	363984.00	461510.00	-	338160.50	89589.00	420205.00	270590.00	2799164.00	242511.00	3641952.50	2581124.00	-	3455201.00	2607366.00	3350758.50	322171.00	411781.00	-	364927.00	307166.00	-	285281.00
DTDPGLUCOSE (CAS# ); (M-H)-	39526.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
DUMP (CAS# 964-26-1); (M-H)-	-	-	-	14913.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	27462.00	-	-	-	-	-	-	-	-	-
EDTA (CAS# 60-00-4); (M-H)-	96022.00	-	-	-	-	31011.00	142590.00	-	-	125399.00	-	2248.00	127127.00	87637.00	83438.00	84487.00	68465.00	43070.00	67081.00	-	-	79619.00	121987.00	86640.00	112966.00	208837.00	157669.00	-	163163.50
ELAIDIC ACID (CAS# 112-79-8); (M-H)-	1278000.00	532712.00	355042.00	22383.00	1127632.00	741581.00	26379.00	61391.00	825907.00	60807.00	237229.50	44803.00	464420.50	129942.00	538551.00	124504.00	629434.50	471164.00	69017.00	30040.00	315282.00	417304.50	26907.00	29980.00	82782.00	9182.00	33567.00	9936.00	12034.00
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-	195424.00	186702.00	261815.00	26330.00	389279.00	196730.00	206552.00	175634.00	204320.00	213752.00	218973.50	234657.00	217625.50	214243.00	219858.00	177349.00	206128.00	205723.50	243936.00	224547.00	234442.00	166606.00	164740.00	176744.00	161361.00	184114.00	185783.50	170356.00	191888.00
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-	7865812.50	7503023.00	9062598.00	1298995.00	11500000.00	7453131.00	8417537.00	7182512.00	8341974.00	8352551.00	8155983.50	8235667.00	7922803.00	7582482.00	7629617.00	6391053.00	7077673.00	7321722.00	8210704.00	7814714.00	8574066.00	6724930.50	6577003.00	7010472.00	6481360.00	7281212.00	6910356.50	6927986.00	7273751.00
ERUCIC ACID (CAS# 112-86-7); (M-H)-	15827.00	6118.00	12218.00	-	34823.00	8327.50	-	-	-	-	2539.00	-	13710.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-	20557.00	18804.00	22263.00	6363.00	28842.00	20696.50	14942.00	17035.00	15481.00	16286.00	27060.00	2912.00	25783.00	17324.00	-	8180.00	19898.00	7518.00	25635.00	-	10239.00	-	24078.00	2356.00	19528.00	24750.00	31988.00	-	-
FERULATE (CAS# 1135-24-6); (M-H)-	-	-	-	-	-	1393.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)-	-	-	-	4034.00	-	-	-	-	-	2347.00	-	-	-	-	-	5896.00	-	-	-	-	-	-	-	-	-	-	-	-	-
FOLIC ACID (CAS# 59-30-3); (M-H)-	-	-	-	1048.00	-	-	-	-	-	-	-	-	-	-	-	6906.00	-	-	-	-	-	-	-	-	-	7722.00	-	6874.00	-
FRUCTOSE (CAS# 57-48-7); (M+CL)-	4040524.00	4317468.50	-	4164289.00	439268.00	2180824.50	326219.00	363984.00	461510.00	-	338160.50	89589.00	420205.00	270590.00	2794812.00	242511.00	3641952.50	2578384.00	-	3455201.00	2607366.00	3350758.50	322171.00	411781.00	-	364927.00	307166.00	-	285281.00
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-	42393.00	60551.00	49971.00	16369.00	45025.00	42600.00	-	-	-	-	-	-	-	-	38542.00	8000.00	63234.50	101243.00	66480.00	61406.00	100005.00	72805.00	-	11658.00	-	12378.00	9457.00	-	14984.50
FUMARATE (CAS# 110-17-8); (M-H)-	128657.00	130012.00	91524.00	-	-	171048.00	45170.00	21502.00	332781.00	216491.00	157494.50	-	120650.00	896657.00	-	873084.00	201958.50	2999805.00	207438.00	-	2285561.00	311710.00	54486.00	-	324900.00	356109.00	249615.00	-	311225.00
GALACTARATE (CAS# 526-99-8); (M-H)-	-	-	-	-	-	-	-	-	1591.00	-	11820.00	63599.00	9738.00	-	-	-	-	8670.50	-	-	-	-	8150.00	8845.00	28328.00	16595.00	12639.00	-	61602.00
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+CL)-	-	-	-	-	-	31358.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-	14322.00	-	-	-	-	97513.00	186193.00	-	-	254640.00	188996.50	69587.00	191910.00	250218.00	7063.00	290894.00	-	-	-	-	-	-	162717.00	-	-	292488.00	258008.50	135357.00	312315.00
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-	23492.00	20646.50	-	17730.00	328987.00	-	6655.00	-	24424.00	376453.00	44752.00	22337.00	13521.00	10410.00	-	15934.00	-	32911.00	36137.00	-	217593.00	25411.00	21926.00	49493.00	12453.00	525362.00	23610.00	-	38022.00
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)-	-	4752.00	-	-	30327.00	-	221556.00	135230.00	64509.00	216510.00	95733.00	-	35449.50	-	-	-	-	-	9140.00	-	-	-	-	-	90470.00	-	81155.00	-	87780.00
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-	80031.00	83856.00	142023.00	100327.00	280551.00	112358.00	103584.00	102881.00	292883.00	213454.00	360620.50	191878.00	143985.00	153148.00	169097.00	142610.00	171983.50	132741.00	146774.00	141382.00	110976.00	99320.00	113626.00	102120.00	106363.00	129232.00	148658.50	110767.00	110381.00
GDPMANNOSE (CAS# ); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1032.00	-	-	-	-	-	-	-	-	-	-	-	-	-
GERANYLGERANYL DIPHOSPHATE (CAS# 6699-20-3); (M-H)-	-	-	-	-	4921.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-	648921.50	452935.50	759318.00	-	694612.00	320149.50	44850.00	34649.00	45806.00	40688.00	36894.50	46882.00	45104.50	-	-	-	-	264573.00	-	-	-	-	-	-	-	60132.00	32247.50	57994.00	33235.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-	69013.00	56821.00	83723.00	-	81857.00	23670.00	14978.00	12551.00	13852.00	11789.00	12629.00	14183.00	13266.50	18351.00	9076.00	12778.00	23919.00	62474.00	-	-	-	-	12448.00	15268.00	13649.00	14366.00	14279.00	14403.00	13370.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-	763641.00	855159.50	850166.00	167240.00	746019.00	809532.00	906740.00	817853.00	905061.00	852815.00	854483.50	865872.00	847807.50	836851.00	231653.00	715187.00	293394.00	455885.50	277618.00	301278.00	317809.00	315329.00	762518.00	817893.00	754246.00	817686.00	713122.00	793754.00	761268.50
GLUCARIC ACID (CAS# 87-73-0); (M-H)-	-	-	-	-	-	-	-	-	1889.00	-	15547.00	63599.00	9501.00	-	-	-	-	8670.50	-	-	-	-	36916.00	8845.00	28328.00	20991.00	12639.00	-	58487.00
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]	11600000.00	11637651.00	7881383.00	9365549.00	-	9446757.00	31324.00	5710388.00	4759219.00	816433.00	7539836.00	-	9607005.00	15400000.00	13800000.00	14400000.00	13850000.00	13650000.00	11900000.00	14000000.00	-	14050000.00	13100000.00	14400000.00	13200000.00	884426.00	13950000.00	-	13650000.00
GLUCONIC ACID (CAS# 526-95-4); (M-H)-	145202.50	162433.00	-	-	180611.00	108978.00	-	-	-	-	-	-	-	-	-	-	92488.00	62747.00	68742.00	-	44379.00	82893.00	-	-	-	-	-	-	-
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M-H)-	-	-	-	-	-	-	-	-	-	-	151696.00	119122.00	-	-	-	61811.00	-	-	-	-	-	-	-	-	-	-	98937.00	91640.00	97164.00
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-	1813.00	1738.00	334040.00	976763.00	99475.00	218416.00	1468177.00	-	1250506.00	7675.00	1051333.50	-	1192662.50	866886.00	-	707158.00	-	-	-	-	2468.00	-	654091.00	990570.00	-	-	559163.00	-	639902.00
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]	-	269897.00	1358943.00	-	477411.00	-	-	-	-	-	-	-	-	-	2686671.00	1700612.00	-	-	-	-	481847.00	-	-	1792434.00	-	-	1479084.00	-	-
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]	21685.00	-	2044.00	-	22367.00	-	-	-	-	-	-	-	-	-	-	-	-	25817.00	-	-	-	-	-	-	-	-	-	-	-
GLUCOSE (CAS# 50-99-7); (M+CL)-	4040524.00	4319791.00	-	4164289.00	439268.00	2180824.50	326219.00	363984.00	461510.00	-	338160.50	89589.00	420205.00	270590.00	2799164.00	242511.00	3641952.50	2565627.50	-	3455201.00	2607366.00	3350758.50	322171.00	411781.00	-	364927.00	307166.00	-	285281.00
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-	-	-	120743.00	160485.00	-	10279.00	3424.00	-	-	-	-	71470.00	-	-	-	-	4187.00	-	18650.00	6846.00	-	2343.00	-	-	-	-	-	-	-
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-	14322.00	-	-	-	-	97513.00	186193.00	-	-	254640.00	188996.50	69587.00	191910.00	250218.00	7063.00	290894.00	-	-	-	-	-	-	162717.00	-	-	292488.00	258008.50	135357.00	312315.00
GLUTAMATE (CAS# 56-86-0); (M-H)-	1375179.00	1096480.50	-	449221.00	-	908347.00	-	122700.00	174832.00	-	-	-	98772.00	81954.00	693862.00	-	818166.50	846002.00	-	211963.00	-	787249.50	42323.00	124023.00	-	-	36182.00	-	-
GLUTAMINE (CAS# 56-85-9); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	49948.00	-	-	-	-	-	-	-	-
GLUTARATE (CAS# 110-94-1); (M-H)-	23492.00	20646.50	34408.00	17730.00	328987.00	13764.00	6655.00	7659.00	24424.00	376453.00	44752.00	22337.00	24908.00	10410.00	21131.00	15934.00	-	31408.50	36137.00	-	217593.00	25411.00	21926.00	49493.00	12453.00	525362.00	36735.50	57246.00	38022.00
GLUTATHIONE (CAS# 27025-41-8); (M-H)-	9586.50	-	-	-	-	3487.00	2479972.00	1624503.00	1680893.00	-	-	2340385.00	-	4568699.00	-	4041040.00	-	21284.00	-	-	-	15138.50	4108284.00	3827665.00	3833811.00	-	-	4277661.00	-
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]	-	130712.00	-	236066.00	-	379929.00	285206.00	-	309174.00	-	276229.50	-	378478.00	321440.00	418196.00	297976.00	-	260544.00	-	-	383494.00	215314.00	-	223225.00	-	-	-	-	-
GLYCERATE (CAS# 473-81-4); (M-H)-	-	-	-	2280.00	-	-	20354.00	-	-	-	11757.00	-	8117.00	22340.00	-	21345.00	-	-	-	-	7632.00	-	-	8022.00	8932.00	29528.00	-	-	-
GLYCEROL 2-PHOSPHATE (CAS# ); (2M-H)-	-	-	-	312740.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-	197662.50	-	84062.00	2097123.00	12455.00	42424.50	-	-	6153.00	-	-	-	1679.00	1651.00	-	-	3027.00	-	-	-	-	22009.00	-	-	-	-	5957.00	-	4872.00
GLYCINE (CAS# 56-40-6); (M-H)-	12433.00	25518.00	12477.00	16236.00	23333.00	9152.00	-	-	-	-	2959.00	-	2215.00	-	13086.00	-	15447.50	35998.00	12221.00	-	40374.00	24519.00	-	4825.00	-	-	-	-	-
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-	6247.50	6034.50	-	-	-	6238.00	-	1119.00	1860.00	3244.00	-	-	1759.00	-	5744.00	1876.00	5140.00	2663.00	6802.00	5203.00	7339.00	5293.00	-	-	-	1868.00	-	2635.00	-
GLYOXYLATE (CAS# 298-12-4); (M-H)-	-	-	-	-	-	14127.00	29645.00	18569.00	-	-	10566.00	-	25506.00	35948.00	-	-	-	-	-	-	-	-	26634.00	15922.00	-	61765.00	28129.50	-	25643.00
GUANINE (CAS# 73-40-5); (M-H)-	194209.50	206169.50	-	48146.00	-	145323.50	108702.00	76624.00	83881.00	-	115923.50	-	88537.00	-	60761.00	-	92475.50	177592.50	40275.00	68927.00	-	151523.00	55917.00	49733.00	72637.00	-	43437.00	-	68947.00
GUANOSINE 5^-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-H)-	-	-	-	2982.00	-	-	-	-	-	-	-	-	65193.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (2M-H)+	3673.00	20341.00	-	-	-	-	-	-	8996.00	-	-	-	-	-	-	2839.00	20645.00	-	-	-	-	39000.50	-	3188.00	-	-	-	-	2945.00
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)-	-	806681.00	507832.00	-	-	547520.50	9791.00	-	325689.00	-	51980.50	-	32850.00	-	234133.00	-	1069249.50	1282208.00	966644.00	806033.00	-	1092371.50	130448.00	-	-	-	187415.00	245100.00	363569.00
GUANOSINE (CAS# 118-00-3); (M+CL)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	34825.00	-	-
GUANOSINE (CAS# 118-00-3); (M-H)-	843487.50	362219.00	-	949465.00	-	772578.50	453907.00	1174239.00	276308.00	257660.00	-	-	711142.00	806924.00	-	732333.00	1004506.50	-	-	1576419.00	-	-	313393.00	-	-	-	-	-	-
HEPTADECANOATE (CAS# 506-12-7); (M-H)-	28269.00	12545.00	43637.00	11114.00	140853.00	27385.50	8109.00	9189.00	36677.00	47203.00	129571.00	29436.00	31275.00	14375.00	17927.00	17069.00	19590.50	14373.50	18299.00	18630.00	12189.00	10696.00	9826.00	8066.00	9315.00	10910.00	21536.50	11252.00	11493.50
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-	3796.00	2396.00	-	-	18149.00	3276.00	-	-	-	-	6228.50	-	4929.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
HIPPURATE (CAS# 495-69-2); (M-H)-	-	-	79426.00	-	98783.00	-	-	-	-	-	-	18467.00	-	-	99688.00	-	-	-	93698.00	-	103201.00	-	-	-	-	-	-	-	-
HOMOCYSTINE (CAS# 462-10-2); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	73154.00	-	-	-	-	-	-	-	-	-	-	5008.00	-	-	-	21615.00	79110.00	-
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-	453686.00	953180.50	1676528.00	945142.00	450329.00	771660.00	745207.00	457228.00	313870.00	1985028.00	2140907.00	2223641.00	2156866.00	1411661.00	1026566.00	260823.00	368093.50	1145644.00	966485.00	952038.00	481873.00	740061.50	1105320.00	1097258.00	844730.00	1044022.00	1223277.50	939252.00	1085066.50
HYPOXANTHINE (CAS# 68-94-0); (M-H)-	701746.00	1020744.50	359400.00	283030.00	1122255.00	696486.00	455232.00	-	336237.00	-	1132740.50	-	1314562.00	-	71029.00	166628.00	562158.00	1382703.00	221534.00	360295.00	1424150.00	862107.00	1280396.00	401278.00	438910.00	-	871239.00	-	-
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	1408.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O]	-	-	-	40522.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	2200.00	-	-	-	-	-	-
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+CL)-	-	-	-	-	-	-	5133.00	-	3741.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1032.00	3216.00
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-	20926.50	28941.00	13281.00	-	12889.00	12922.00	-	-	-	-	-	-	-	-	63757.00	-	84056.00	132505.50	51544.00	33441.00	39105.00	104984.00	-	-	-	-	-	-	-
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)-	10439.00	12285.50	10228.00	-	6314.00	-	-	-	-	3759.00	6453.00	5807.00	5229.00	-	-	-	-	-	-	-	-	-	-	-	-	-	1538.50	1316.00	1043.00
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)-	2300.00	2037.00	1368.00	3427.00	-	2201.00	3347.00	4356.00	-	2001.00	1175.00	1509.00	3144.00	-	3819.00	1216.00	2269.00	-	1680.00	3247.00	-	2469.50	-	-	-	-	6911.00	-	-
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)+[-H2O]	-	-	-	-	3889.00	-	-	-	-	-	-	-	-	-	-	-	-	1829.00	6033.00	-	5895.00	1624.00	-	-	-	-	-	-	-
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M-H)-	66290.50	146125.00	26444.00	11328.00	-	-	-	-	-	2057.00	-	-	25136.00	-	-	-	-	50109.00	-	877730.00	-	-	21249.00	-	-	-	2819.00	-	-
INOSINE (CAS# 58-63-9); (M-H)-	1970647.50	449483.00	2679084.00	1833561.00	433989.00	1340003.00	409728.00	1340424.00	254987.00	-	130859.00	-	560599.00	3442822.00	-	3155246.00	2129581.50	4839.00	3935759.00	1961269.00	7971.00	2066669.00	-	323253.00	-	-	-	-	-
ISOCITRATE (CAS# 320-77-4); (M-H)-	11650000.00	11115285.50	7951136.00	8647538.00	-	9495212.00	4661331.00	15300000.00	4725279.00	21150.00	7553251.50	-	9551016.50	15400000.00	13800000.00	14400000.00	13850000.00	13650000.00	12000000.00	14000000.00	-	14050000.00	13100000.00	14500000.00	13100000.00	884893.00	13900000.00	-	13600000.00
ISOLEUCINE (CAS# 73-32-5); (M-H)-	8207700.50	11700000.00	6765045.00	900183.00	10000000.00	8031708.50	1672164.00	1839421.00	1825217.00	1375763.00	2873175.50	-	2811780.00	2574008.00	7885970.00	2667991.00	9197487.50	13900000.00	9770699.00	10300000.00	12700000.00	10550000.00	1749245.00	1583351.00	1618970.00	3746895.00	5328071.00	-	4661127.50
ITACONATE (CAS# 97-65-4); (M-H)-	-	-	-	251462.00	-	-	-	-	301966.00	-	411581.00	295621.00	322882.00	-	-	-	-	-	-	-	-	-	-	-	-	69889.00	290379.00	-	296936.00
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-	141498.00	96232.50	158257.00	-	143393.00	120648.50	68063.00	48500.00	61924.00	56033.00	67513.00	65925.00	70467.00	64671.00	25130.00	39334.00	71865.00	100804.50	50406.00	48020.00	51082.00	86568.00	46390.00	54159.00	46974.00	58205.00	43631.50	50712.00	46608.50
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-	3329316.50	3014070.00	3450727.00	633707.00	3198700.00	3196779.50	2992999.00	2600889.00	2903764.00	2727390.00	2890359.00	2777678.00	2851403.50	2696146.00	994869.00	2328579.00	1977138.50	2786396.50	1560739.00	1569596.00	1643995.00	2393464.00	2460109.00	2595111.00	2391910.00	2642250.00	2348844.00	2538787.00	2486726.50
KYNURENINE (CAS# 343-65-7); (M-H)-	-	-	11598.00	2486.00	-	-	-	-	-	-	-	-	4590.00	-	-	-	-	-	8622.00	-	-	-	-	-	-	-	-	-	-
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-	19686.00	22074.00	12780.00	22036.00	12138.00	19792.00	-	277075.00	309163.00	156023.00	-	167313.00	162476.00	42492.00	6943.00	53655.00	9543.50	12267.50	10876.00	9915.00	10287.00	9786.50	51807.00	57831.00	46873.00	-	-	32537.00	73606.00
LACTOSE (CAS# 63-42-3); (M+CL)-	796325.00	269897.00	1358943.00	348396.00	477411.00	-	-	-	-	-	2816900.00	-	2600213.00	-	2686671.00	1700612.00	-	164922.00	1211183.00	-	481847.00	810266.00	-	1792434.00	1435270.00	1946752.00	1400810.50	-	1355394.50
LACTOSE (CAS# 63-42-3); (M-H)-	-	15298.00	-	-	-	-	-	-	-	-	-	-	-	-	-	1365.00	-	-	-	-	19426.00	14512.00	-	-	-	-	-	-	-
LANTHIONINE (CAS# 3183-08-2); (M-H)-	2874.00	-	3328.00	-	4075.00	14262.00	36420.00	-	2639.00	-	47992.00	161033.00	46113.00	35651.00	-	36507.00	-	-	2283.00	-	10806.00	3820.50	19520.00	23492.00	28788.00	-	44772.00	170121.00	41410.00
L-ARGININE (CAS# 74-79-3); (M-H)-	37888.50	1974.00	-	183409.00	-	7436.00	71887.00	79165.00	-	-	-	-	2870.00	64840.00	191920.00	74220.00	113024.00	11584.00	-	241490.00	-	55647.00	56841.00	76161.00	-	-	-	-	2618.00
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)-	-	-	-	-	-	-	2548.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
LAURIC ACID (CAS# 143-07-7); (M-H)-	3806.50	3670.50	7228.00	-	24279.00	4872.50	4886.00	-	9671.00	7825.00	5521.00	7502.00	5247.50	2209.00	4341.00	3604.00	4080.50	2365.50	3484.00	3228.00	2362.00	2119.00	-	1298.00	-	2543.00	2417.50	1830.00	2345.00
L-CARNITINE (CAS# 541-15-1); (M+CL)-	-	-	-	-	-	-	-	-	-	-	-	6847.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
LEUCINE (CAS# 328-39-2); (M-H)-	8207700.50	11700000.00	6765045.00	2776400.00	10000000.00	8031708.50	1583641.00	1839421.00	1825217.00	2464811.00	3004423.00	-	3644800.00	2519386.00	7885970.00	2667991.00	9197487.50	13900000.00	9770699.00	10300000.00	12700000.00	10550000.00	3554532.00	3440344.00	3323649.00	3746895.00	3117815.00	268874.00	4329636.00
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-	-	-	9013.00	-	11089.00	-	-	3384.00	17262.00	-	4212.00	-	-	-	-	-	3946.00	-	9024.00	12442.00	-	-	-	-	-	-	-	-	-
L-FUCOSE 1-PHOSPHATE (CAS# 16562-58-6); (2M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1386.00
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]	9700.00	-	37632.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
L-GULONATE (CAS# 6322-07-2); (M-H)-	145202.50	162433.00	-	-	180611.00	108978.00	-	-	-	-	-	-	-	-	-	-	92488.00	62747.00	68742.00	-	44379.00	80460.00	-	-	-	-	-	-	-
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]	38772.00	46198.00	43179.00	103949.00	-	41268.00	-	218248.00	-	-	-	-	72754.00	-	14168.00	-	31775.00	25680.50	15688.00	110222.00	15259.00	30059.50	561183.00	536231.00	-	-	-	-	-
L-HISTIDINE (CAS# 71-00-1); (M-H)-	376948.00	213927.50	724946.00	341473.00	830530.00	264024.00	707828.00	864066.00	760812.00	691986.00	-	634658.00	13455.00	416773.00	275031.00	424768.00	392829.50	281607.50	453876.00	431125.00	924188.00	433154.00	495393.00	536488.00	536570.00	588599.00	-	416241.00	-
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-	3284.00	6887.00	9473.00	3271.00	9347.00	4362.00	-	-	-	3437.00	5391.50	2223.00	4411.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
LINOLEATE (CAS# 60-33-3); (M-H)-	1293149.50	702576.50	833447.00	32157.00	1050816.00	919967.50	43788.00	143256.00	1558203.00	112747.00	259317.00	106767.00	465555.50	147343.00	701149.00	148322.00	853645.50	616066.50	720850.00	71330.00	560743.00	562827.00	70801.00	43723.00	162584.00	4039.00	40210.50	13612.00	5329.00
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-	10531.00	-	-	-	6212.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-	-	-	-	-	-	-	10701.00	-	-	-	-	121680.00	-	-	-	-	-	-	-	-	-	-	-	-	11866.00	-	34788.00	6310.00	-
L-ORNITHINE (CAS# 70-26-8); (M-H)-	39371.00	43922.00	199710.00	49765.00	284062.00	43999.00	40429.00	39681.00	76566.00	32579.00	-	72815.00	9121.00	-	-	-	116300.50	62245.00	402236.00	-	511367.00	140336.00	31884.00	34694.00	85429.00	54690.00	-	70345.00	11240.00
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-	-	-	-	-	-	-	-	-	-	-	-	-	358846.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-	56605.00	42249.50	-	36019.00	-	33918.00	-	-	-	-	-	-	-	-	33278.00	-	39579.00	26885.00	33675.00	-	-	35976.00	-	-	-	-	-	-	-
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-	-	-	-	44347.00	-	-	-	-	-	-	-	-	-	-	24741.00	-	24774.00	-	-	22421.00	-	22004.00	-	-	-	-	-	-	-
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-	-	86729.00	-	-	-	-	-	-	-	-	131033.50	120446.00	113816.50	-	-	-	-	47398.00	-	-	-	-	-	-	-	-	76945.00	-	81605.50
LUMICHROME (CAS# 1086-80-2); (M-H)-	282465.50	330313.50	254425.00	31798.00	491156.00	296201.00	52430.00	28153.00	8555.00	122854.00	174040.00	76324.00	178337.00	13727.00	3693.00	6567.00	19140.50	48081.00	-	7893.00	-	20787.50	15013.00	7798.00	10732.00	21966.00	80950.00	20904.00	66553.50
LYSINE (CAS# 56-87-1); (M-H)-	674493.50	1071008.00	598703.00	296966.00	697583.00	630426.50	111814.00	143748.00	125698.00	94545.00	130444.50	130584.00	235527.50	94330.00	590735.00	94021.00	928869.50	1600914.50	874087.00	882561.00	1168411.00	1104334.00	85019.00	85149.00	101627.00	104532.00	110314.50	105724.00	121235.00
MALATE (CAS# 97-67-6); (M-H)-	1646957.00	2694844.00	3023554.00	1242612.00	3822195.00	2785767.00	1289190.00	727976.00	3020493.00	-	2995545.00	-	3382554.50	2296436.00	939751.00	2462401.00	1690104.50	3414520.50	1510872.00	831004.00	4660202.00	2644895.00	2555763.00	1559361.00	3013575.00	9885445.00	5800847.50	-	5862852.50
MALATE (CAS# 97-67-6); (M-H)+[-H2O]	127380.00	163576.50	586438.00	33327.00	481531.00	386589.00	190260.00	119012.00	544343.00	908226.00	584677.50	-	493345.00	572902.00	-	506236.00	70009.50	220043.00	55672.00	30364.00	-	317442.00	819614.00	369983.00	591831.00	1501666.00	958184.50	515813.00	1156377.00
MALEAMATE (CAS# 557-24-4); (M-H)-	-	-	-	46925.00	-	-	-	-	3868.00	-	-	-	-	-	-	-	-	-	21677.00	-	-	-	-	-	-	-	-	-	-
MALEIC ACID (CAS# 110-16-7); (M-H)-	123818.00	179755.00	88269.00	-	500155.00	121164.50	45170.00	114176.00	552147.00	216491.00	64888.50	84138.00	68309.50	1023074.00	135674.00	816386.00	203038.00	261740.50	203073.00	114680.00	272644.00	306491.00	793447.00	125492.00	377137.00	722009.00	582696.00	-	553344.50
MALONATE (CAS# 141-82-2); (M-H)-	-	-	-	3270.00	-	42864.00	71657.00	52486.00	26908.00	-	91172.00	-	87719.00	132259.00	-	261841.00	-	-	-	-	-	-	167240.00	96404.00	50347.00	633570.00	-	-	-
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-	-	-	-	3270.00	-	21133.00	71657.00	38360.00	23448.00	-	91300.00	-	87719.00	132259.00	-	3053.00	-	-	-	-	-	-	-	96404.00	47140.00	621665.00	195017.00	-	-
MALTOSE (CAS# 69-79-4); (M+CL)-	796325.00	269897.00	1358943.00	348396.00	477411.00	-	-	-	-	-	2816900.00	-	2600213.00	-	2686671.00	1700612.00	-	164922.00	1211183.00	-	481847.00	810266.00	-	1792434.00	1435270.00	1946752.00	1400810.50	-	1355394.50
MALTOSE (CAS# 69-79-4); (M+HCOO)-	21685.00	-	2044.00	1856.00	22367.00	24149.00	-	69051.00	-	-	82619.00	-	97915.00	70654.00	-	65814.00	-	25817.00	-	-	-	3216.00	-	-	-	-	-	-	-
MANDELIC ACID (CAS# 611-71-2); (M-H)-	22304.00	36586.00	10125.00	23517.00	20028.00	25230.50	31784.00	39916.00	33634.00	58704.00	37044.00	-	55975.00	75889.00	14354.00	78611.00	15915.50	38165.00	15470.00	17812.00	16354.00	19053.50	81316.00	-	70228.00	89032.00	94678.50	59171.00	97927.50
MANNITOL (CAS# 69-65-8); (M+CL)-	-	-	-	-	-	31358.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	84013.00	-
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-	1813.00	-	334040.00	976763.00	10139.00	218416.00	1468177.00	-	1250506.00	7675.00	1051333.50	-	1186030.50	866886.00	-	707158.00	-	-	-	-	-	-	654091.00	990570.00	-	-	559163.00	-	639902.00
MELIBIOSE (CAS# 585-99-9); (M+CL)-	796325.00	269897.00	1358943.00	346557.00	477411.00	-	-	-	-	-	2816900.00	-	2600213.00	-	2686671.00	1700612.00	-	164922.00	1211183.00	-	481847.00	810266.00	-	1792434.00	1429315.00	1946752.00	1400810.50	-	1355394.50
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-	21685.00	-	2044.00	4131.00	22367.00	24149.00	-	69051.00	-	-	82619.00	-	97915.00	70654.00	-	65814.00	-	25817.00	-	-	-	2302.00	-	-	-	-	-	-	-
METHIONINE (CAS# 63-68-3); (M-H)-	153628.50	-	297611.00	-	-	87154.00	-	-	-	-	-	-	-	-	606830.00	-	374650.00	-	502441.00	-	896495.00	307325.50	-	-	-	-	-	-	-
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)-	-	-	-	17213.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)-	-	5888.00	-	-	-	2728.50	-	-	-	-	-	-	-	-	-	-	-	5327.00	-	5592.00	-	-	-	-	-	-	-	-	-
METHYLMALONATE (CAS# 516-05-2); (M-H)-	2294266.00	2151547.00	2052724.00	1493824.00	1140778.00	1983349.50	3533624.00	3305113.00	1221027.00	1461112.00	1144375.50	901854.00	1343164.50	1613646.00	2310354.00	1447585.00	2012802.50	1908699.00	2137060.00	2298516.00	2434667.00	2017429.50	4226303.00	3495088.00	1669021.00	1811057.00	1402105.00	-	1757852.00
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (2M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	10671.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
MYRISTIC ACID (CAS# 544-63-8); (M-H)-	46259.00	37020.50	105817.00	19335.00	290080.00	72369.50	25898.00	24380.00	1216778.00	117095.00	143687.50	140432.00	57268.00	33119.00	42304.00	40475.00	38247.00	31370.50	43425.00	45074.00	30634.00	22045.50	21433.00	20708.00	62270.00	33594.00	25796.00	34400.00	25033.00
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-	1861.00	1343.50	4622.00	-	4471.00	1120.00	-	-	4014.00	-	1443.00	1192.00	1077.00	-	1084.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M+CL)-	-	10282.50	-	-	-	19339.00	2475.00	3595.00	7176.00	18984.00	26251.00	3493.00	11248.00	-	-	-	-	-	-	-	-	-	-	-	4206.00	-	-	-	4662.00
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M-H)-	11172.50	59350.00	10802.00	11217.00	62012.00	83187.50	95410.00	99217.00	143008.00	403106.00	479893.00	72697.00	87343.00	-	-	-	-	-	-	-	10471.00	-	47712.00	45327.00	-	68837.00	93074.50	17782.00	84594.50
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-	44534.50	122460.00	84840.00	134299.00	-	-	-	-	-	-	-	-	-	643725.00	5216.00	545792.00	28169.50	50131.50	12830.00	37708.00	3569.00	25804.00	536426.00	729281.00	601284.00	-	477514.00	-	442312.50
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)-	-	-	-	-	-	-	-	-	5210.00	-	3073.00	1668.00	-	2236.00	15712.00	2759.00	-	-	17680.00	-	-	-	-	2591.00	-	-	1758.00	-	-
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-	1173732.50	1058749.00	557688.00	936028.00	1505958.00	841030.50	191188.00	1973642.00	270784.00	-	284096.50	-	453148.00	-	653508.00	-	659404.00	912592.50	632336.00	787559.00	923628.00	726980.50	202002.00	-	-	276242.00	262248.50	-	260351.00
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-	1020073.50	476702.00	-	98465.00	294222.00	638306.50	142734.00	60709.00	56763.00	141913.00	48333.50	87101.00	164037.50	-	-	-	-	825973.00	-	-	243577.00	-	-	-	-	162666.00	88003.00	-	142239.50
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-	1379481.50	1098984.50	-	81777.00	-	912538.50	-	122700.00	174832.00	-	-	-	98772.00	81954.00	665104.00	-	821745.50	857292.00	-	211963.00	-	793498.50	42323.00	124023.00	-	-	36182.00	-	-
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-	44534.50	122460.00	77810.00	134299.00	-	-	-	-	-	-	-	-	-	580856.00	4855.00	606755.00	27667.00	49277.50	12830.00	37708.00	3569.00	25804.00	482997.00	657536.00	601284.00	-	477514.00	-	442312.50
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-	176894.00	293797.50	-	-	-	109439.50	41043.00	6535.00	6899.00	-	54060.00	10724.00	66976.50	42102.00	-	75312.00	56809.00	144755.00	21185.00	-	-	105892.00	89602.00	18711.00	23843.00	23877.00	143394.00	20022.00	121256.00
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-	44534.50	122460.00	84840.00	134299.00	-	-	-	-	-	-	-	-	-	643725.00	7355.00	606755.00	28169.50	48757.00	12830.00	37708.00	-	25804.00	536426.00	729281.00	601284.00	-	477514.00	-	442312.50
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	7508.00	-	-	-	-	-	-	-	-	-
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-	-	-	26490.00	107712.00	36268.00	-	-	91543.00	-	-	-	-	-	-	-	-	-	-	-	-	137121.00	-	-	-	-	-	-	-	-
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-	169089.00	201085.50	148134.00	82851.00	326475.00	145834.00	-	-	-	-	-	-	-	-	196192.00	-	108082.00	104378.50	117109.00	59076.00	439480.00	135411.50	-	-	-	-	-	-	-
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-	-	-	46220.00	33890.00	591433.00	-	26310.00	9242.00	13699.00	-	2797.00	-	-	-	-	-	-	-	112381.00	-	321352.00	-	-	3823.00	-	-	-	44845.00	-
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (2M-H)-	405364.50	1554762.50	-	-	80921.00	355025.50	-	-	-	-	61144.00	-	93682.50	-	-	-	-	1811899.50	-	-	-	-	-	-	-	-	216944.00	-	142137.50
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-	4868631.50	13683598.00	866542.00	195639.00	1948109.00	4320308.50	157387.00	144419.00	135430.00	486633.00	1880994.00	378522.00	2973131.50	528530.00	410754.00	424068.00	712706.50	15671565.00	843999.00	442096.00	2140037.00	1836497.00	574193.00	487753.00	480088.00	952841.00	4892249.00	720751.00	3827593.00
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-	3059958.50	9175132.50	506076.00	-	613621.00	2747820.50	96128.00	62393.00	50221.00	152595.00	1608036.50	183124.00	2210634.00	202096.00	159758.00	160363.00	221143.50	9959618.50	395445.00	191026.00	449519.00	544425.00	310029.00	215344.00	184490.00	314996.00	3591704.50	354029.00	2893787.50
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-	1186979.00	1215161.00	875616.00	364215.00	244390.00	1107726.00	-	-	20888.00	-	-	6506.00	30522.00	-	143686.00	10402.00	593168.50	376007.00	393755.00	117176.00	78316.00	504082.00	-	3313.00	10109.00	11531.00	-	-	-
NAD (CAS# 53-84-9); (M-H)-	96074.00	61674.00	-	20947.00	41519.00	76773.50	212975.00	398239.00	106403.00	-	21874.00	-	89432.50	-	-	-	-	-	-	-	-	-	-	-	-	9195.00	-	-	-
N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M-H)-	-	-	-	75813.00	-	-	-	-	-	-	-	-	-	-	9504.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)-	-	-	-	14043.00	-	-	-	-	-	-	-	-	-	-	-	-	104873.00	-	-	-	-	-	-	-	-	-	-	-	-
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1594.00	-	-
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)+[-H2O]	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	575647.00	-	-	-	-	-	-	-	-	-	-	-	-
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (2M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1213.00	-	-	-	-	-	-	-	-	-	-	-	-	3245.00
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)-	-	-	-	-	-	-	2895.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M-H)-	-	-	-	250877.00	325629.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1064.00	-	1797.00	-	-	-	-	-	-	-	-	-	-	-	-
NERVONIC ACID (CAS# 506-37-6); (M-H)-	2798.00	4506.00	3934.00	7014.00	3340.00	2559.00	-	-	-	-	1823.50	2633.00	3931.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
NICOTINATE (CAS# 59-67-6); (M-H)-	74820.00	73782.50	149208.00	122855.00	125240.00	135661.50	211802.00	-	266922.00	-	123023.00	-	2180.00	171888.00	135846.00	235123.00	130455.00	100828.50	152277.00	85575.00	148751.00	121508.00	214925.00	25295.00	173272.00	264209.00	-	-	131935.00
NICOTINIC ACID MONONUCLEOTIDE (CAS# ); (M-H)-	-	-	-	42003.00	-	-	-	-	-	-	-	-	-	-	-	-	-	2011.00	-	-	-	-	-	-	-	-	-	8840.00	-
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-	1374793.00	1096480.50	-	449221.00	-	908316.00	-	122700.00	174832.00	-	-	-	98772.00	81954.00	693862.00	-	818166.50	846020.50	-	211963.00	-	788282.50	42323.00	124023.00	-	-	36182.00	-	-
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-	4667.00	-	7524.00	-	35987.00	3039.00	-	-	-	-	-	-	-	-	-	-	-	-	1040.00	-	-	-	-	-	-	-	-	-	-
NONANOATE (CAS# 112-05-0); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1179.00	-	-	-	-	-	-	-	-
NORLEUCINE (CAS# 327-57-1); (M-H)-	8207700.50	11700000.00	6765045.00	2776400.00	10000000.00	8031708.50	1594538.00	1839421.00	1784760.00	2464811.00	3004423.00	-	3601416.50	2710071.00	7885970.00	2667991.00	9197487.50	13900000.00	9770699.00	10300000.00	12700000.00	10550000.00	3554532.00	3440344.00	3323649.00	3705408.00	3010698.50	453046.00	4336986.50
OLEIC ACID (CAS# 112-80-1); (M-H)-	1278000.00	532712.00	355042.00	22383.00	1127632.00	741581.00	26379.00	61391.00	825907.00	60807.00	237229.50	44803.00	464420.50	129942.00	538551.00	124504.00	629434.50	471164.00	69017.00	30040.00	315282.00	417304.50	26907.00	29980.00	82782.00	9182.00	34494.00	9936.00	12034.00
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)-	2216.50	7005.50	2797.00	-	-	1813.00	1941.00	1050.00	-	-	-	2044.00	1464.50	1746.00	1751.00	-	1507.50	3209.50	4681.00	3110.00	-	1907.50	-	2844.00	4511.00	1771.00	1641.00	2594.00	2332.00
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+	-	-	-	-	-	-	-	-	-	-	-	1406.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-	23441.50	-	121246.00	39556.00	-	40053.00	-	-	90549.00	-	-	-	-	-	163291.00	45871.00	69002.00	-	152409.00	53383.00	289224.00	50054.50	-	-	-	-	-	-	-
OROTATE (CAS# 65-86-1); (M-H)-	-	-	14433.00	-	-	-	-	-	-	-	-	-	-	-	8492.00	-	-	-	-	52156.00	-	-	-	-	-	-	-	-	-
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-	2787.00	-	20534.00	-	74691.00	-	-	-	-	-	-	-	-	-	-	-	-	385926.00	-	-	-	-	-	-	-	-	-	-	-
OXALATE (CAS# 144-62-7); (M-H)-	-	-	-	-	-	-	-	-	-	-	10612.00	-	29092.00	38016.00	-	40012.00	-	-	-	-	-	-	31379.00	8259.00	45040.00	97440.00	80324.50	-	15526.00
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]	-	-	-	-	-	-	203049.00	184967.00	208960.00	-	145257.50	-	143305.50	164907.00	-	146570.00	-	-	-	-	-	-	132452.00	77339.00	183652.00	-	113058.00	-	94841.00
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2	-	-	-	-	-	-	-	-	-	-	39762.00	26993.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5105.00
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-	9586.50	-	-	-	-	3487.00	2480178.00	1624617.00	1680893.00	-	-	2340385.00	-	4568643.00	-	4041040.00	-	21284.00	-	-	-	15138.50	4108284.00	3827665.00	3833811.00	-	-	4277661.00	-
OXOMALONATE (CAS# 473-90-5); (M-H)-	-	-	-	-	-	-	70575.00	75634.00	34964.00	-	20992.00	-	43075.00	51366.00	-	50049.00	-	-	-	-	-	-	25615.00	3295.00	18259.00	61427.00	8082.00	-	6899.00
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M-...	-	-	-	7676.00	-	-	-	-	-	-	-	-	4214.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	19741.00
PALATINOSE (CAS# 343336-76-5); (M+CL)-	789348.00	269897.00	1358943.00	345917.00	477411.00	-	-	-	-	-	2816900.00	-	2600213.00	-	2686671.00	1700612.00	-	164922.00	1211183.00	-	481847.00	810266.00	-	1792434.00	1429315.00	1946752.00	1400810.50	-	1355394.50
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-	21685.00	-	2044.00	3835.00	22367.00	24149.00	-	69051.00	-	-	82619.00	-	97915.00	70654.00	-	65814.00	-	25817.00	-	-	-	3216.00	-	-	-	-	-	-	-
PALMITATE (CAS# 57-10-3); (M-H)-	164427.00	163417.50	302271.00	189202.00	401291.00	237476.00	186826.00	185705.00	646438.00	461996.00	573206.00	407603.00	286111.50	285152.00	321724.00	265501.00	343594.50	227273.50	296305.00	292459.00	207983.00	173136.50	198884.00	178243.00	186259.00	232280.00	285143.00	191891.00	194842.00
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-	81018.00	22226.00	96658.00	3817.00	251859.00	14865.00	3729.00	2163.00	110896.00	13544.00	17478.50	13596.00	17186.00	9225.00	50008.00	11294.00	11840.50	7578.00	15678.00	7541.00	14033.00	2933.50	1896.00	-	6936.00	-	4661.50	2479.00	3159.00
PANTOTHENATE (CAS# 79-83-4); (M+CL)-	5113.00	9306.00	5466.00	8436.00	-	-	111975.00	99929.00	102456.00	105327.00	86176.00	100856.00	104944.50	133449.00	-	128244.00	-	-	2652.00	2225.00	-	5226.00	140871.00	128148.00	114955.00	130779.00	172818.00	96062.00	171635.00
PANTOTHENATE (CAS# 79-83-4); (M-H)-	466096.00	525250.50	422116.00	290472.00	462031.00	544461.50	1781968.00	2375574.00	2148260.00	2560776.00	2109897.50	2312547.00	2341087.50	3558888.00	408232.00	3253379.00	572941.50	802959.00	464931.00	635335.00	590441.00	644525.50	3870751.00	3629466.00	3496070.00	3909213.00	4187128.00	2931255.00	4157609.50
PARAXANTHINE (CAS# 611-59-6); (M-H)-	2276.00	-	-	-	-	-	-	-	-	-	-	-	-	-	1917.00	-	-	-	2159.00	-	-	-	-	-	-	-	2177.00	-	-
PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2]	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9447.00	-	-	-	-	-	-	-	-	-	-	-	-	-
PENTANOATE (CAS# 109-52-4); (M+HCOO)-	390703.50	305594.00	308172.00	150747.00	535055.00	368164.00	288145.00	292288.00	270554.00	458522.00	402964.50	326459.00	413000.50	-	394691.00	433163.00	463237.50	605681.50	470924.00	442045.00	687634.00	525250.00	503239.00	493949.00	479285.00	711612.00	732788.00	-	594087.00
PHENOL (CAS# 108-95-2); (M-H)-	-	1261.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1146.00	-	-	-	-	-	-	-	-	-	-	-
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-	22019.00	44345.50	14580.00	7223.00	42827.00	28222.00	70388.00	184086.00	-	-	-	-	-	-	-	-	-	61877.00	12557.00	14955.00	36220.00	23944.00	-	-	-	-	-	-	-
PHENYLALANINE (CAS# 63-91-2); (M-H)-	3260857.50	3725051.00	3074049.00	6551320.00	1414737.00	1042835.50	5225136.00	5914249.00	5331410.00	7662592.00	7423801.50	6856417.00	9105624.00	10200000.00	4908867.00	8885540.00	4893767.00	5043685.50	753538.00	5018957.00	6436458.00	5232215.00	9772368.00	9867751.00	9089183.00	11700000.00	12500000.00	-	8682410.00
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-	-	-	-	-	-	-	20457.00	61520.00	17533.00	-	23931.50	8647.00	70630.00	-	-	-	-	-	-	-	-	-	-	-	-	10495.00	-	113097.00	-
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	2452.00	-	-
PHOSPHOENOLPYRUVATE (CAS# 138-08-9); (M-H)-	56398.00	99023.00	-	74790.00	-	53600.50	49897.00	-	-	59999.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1760.00	-	-	-
PHYTANATE (CAS# 14721-66-5); (M-H)-	15317.00	8808.50	10250.00	3658.00	46618.00	16674.00	-	-	-	-	5024.00	-	30415.00	1467.00	2676.00	1885.00	3528.50	3761.00	4230.00	3466.00	-	3444.00	1311.00	1461.00	1231.00	2483.00	2070.50	1390.00	1427.00
PICOLINIC ACID (CAS# 98-98-6); (M-H)-	92942.00	69199.50	129125.00	49613.00	122916.00	135390.00	205758.00	-	193375.00	-	133033.50	-	-	171217.00	120974.00	218164.00	121101.00	102715.50	182890.00	138092.00	148038.00	136369.00	199173.00	25295.00	173125.00	226345.00	-	-	120646.00
PINITOL (CAS# 10284-63-6); (M+CL)-	-	-	-	17213.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)-	6353.00	12246.50	-	1668.00	6593.00	6381.50	-	-	-	3378.00	1553.00	-	5470.00	4576.00	4939.00	-	9032.50	27907.50	7774.00	8444.00	12161.00	12360.00	-	-	-	-	3580.00	-	2477.00
PROPENOATE (CAS# 79-10-7); (M-H)-	15267.50	-	12490.00	-	-	31381.00	-	-	-	47882.00	136244.00	5316.00	21415.00	153122.00	17886.00	-	37497.00	395500.00	15940.00	4178.00	154656.00	143238.00	-	1306.00	83627.00	94703.00	80699.00	-	73339.00
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-	6536.00	-	-	-	9743.00	2629.00	-	-	-	-	-	-	-	-	-	-	5733.50	7823.00	14626.00	21775.00	13314.00	7367.50	-	-	-	-	-	-	-
PTERIN (CAS# 2236-60-4); (M-H)-	20402.00	-	23489.00	-	29711.00	-	-	16621.00	18744.00	-	-	-	-	16527.00	41350.00	26449.00	7396.50	-	41761.00	13688.00	10521.00	8860.00	16390.00	31844.00	28280.00	-	25831.00	-	22157.50
PURINE (CAS# 120-73-0); (M-H)-	-	-	36726.00	-	122051.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)-	-	-	-	6968.00	-	855048.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
PYRUVATE (CAS# 127-17-3); (M-H)-	36946.00	67997.50	10131.00	13770.00	-	60994.00	69809.00	194493.00	99011.00	-	73621.00	-	75960.50	330271.00	63088.00	361922.00	6928.00	74815.00	2190.00	1700.00	15472.00	51280.00	255192.00	62386.00	181367.00	343821.00	432304.00	-	409033.00
QUINATE (CAS# 77-95-2); (M-H)-	-	1383.00	1003.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)-	-	-	-	-	17738.00	-	-	-	-	7072.00	2238.00	3450.00	2512.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)-	14135.50	28094.00	5468.00	-	25779.00	15134.00	-	2383.00	3365.00	16725.00	9452.00	3630.00	6443.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
RAFFINOSE (CAS# 512-69-6); (M+CL)-	-	75273.00	168076.00	125504.00	-	150902.00	-	-	438113.00	477170.00	234746.00	-	259413.00	-	-	-	-	-	22313.00	-	33298.00	-	-	-	-	-	72945.50	-	93150.00
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-	5086.00	-	-	-	-	6308.00	-	-	-	-	-	-	-	-	-	-	-	16077.00	-	-	-	9003.00	-	-	-	-	-	-	-
RETINOATE (CAS# 302-79-4); (M-H)-	2455.00	1043.00	1760.00	-	-	6132.00	-	-	5400.00	-	6365.50	-	3855.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
RIBITOL (CAS# 488-81-3); (M+CL)-	-	-	-	3323.00	-	-	-	-	-	4840.00	-	-	-	-	-	-	-	-	-	-	-	-	-	488979.00	591771.00	-	-	163226.00	-
RIBOFLAVIN (CAS# 83-88-5); (2M-H)-	-	-	-	-	-	-	-	-	-	26076.00	-	4020.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-	-	114895.00	96567.00	57844.00	136993.00	52042.00	-	-	-	161310.00	16047.00	100877.00	-	77597.00	-	-	-	-	-	-	-	-	-	-	-	43352.00	-	-	-
RIBOFLAVIN (CAS# 83-88-5); (M-H)-	-	-	-	83862.00	394222.00	-	221128.00	80234.00	76104.00	962017.00	68197.00	348412.00	81684.50	-	-	138164.00	-	-	-	-	-	-	124249.00	-	141004.00	124510.00	-	-	-
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-	-	62604.00	-	86490.00	376242.00	-	229175.00	85154.00	84602.00	982332.00	73920.00	353046.00	86088.00	144954.00	41629.00	146441.00	-	-	17694.00	30949.00	31558.00	-	132182.00	73764.00	141013.00	130736.00	-	65933.00	-
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-	-	-	120485.00	159944.00	-	7140.00	-	2172.00	-	-	-	74687.00	-	1346.00	-	-	3235.00	-	16544.00	34802.00	-	1712.00	-	-	-	-	-	-	-
RIBOSE (CAS# 50-69-1); (M+CL)-	-	-	-	-	-	90745.00	148255.00	50852.00	207614.00	-	-	-	110413.50	237359.00	-	250229.00	-	-	-	-	-	-	66401.00	-	-	144789.00	141061.00	-	139860.50
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ...	-	-	2830.00	-	-	1248.00	-	-	-	-	-	-	-	-	-	-	3398.00	4290.00	-	-	-	2186.00	-	-	-	-	3514.00	-	-
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)-	93972.00	-	65965.00	24971.00	-	107676.00	139016.00	225506.00	865372.00	-	37501.00	27441.00	60532.00	50547.00	-	44343.00	-	-	-	-	-	-	-	-	2969432.00	-	-	-	-
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-	-	-	-	-	-	-	3470.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-	-	-	-	10824.00	-	10850.00	-	-	-	-	-	-	-	-	31247.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-
SALICYLATE (CAS# 69-72-7); (M-H)-	62994.50	92776.50	43968.00	-	58109.00	89926.00	46756.00	63056.00	56320.00	97510.00	63219.00	106898.00	89439.00	158999.00	19126.00	123985.00	23652.00	54506.50	32530.00	25161.00	27234.00	27643.00	139609.00	142391.00	136624.00	187468.00	148613.00	182758.00	122035.00
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1066.00	-	1660.00	-	-	-	-	-	-
(-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	22186.00	-	-	-	-
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-	-	29044.00	-	1914.00	-	2806.00	-	-	-	-	-	-	-	-	-	-	-	23103.00	-	-	-	-	-	-	-	-	-	-	-
SEBACIC ACID (CAS# 111-20-6); (M-H)-	24634.00	20888.50	14779.00	7448.00	18664.00	17539.50	11906.00	9890.00	12962.00	14773.00	11356.00	8262.00	11600.00	14581.00	12261.00	7976.00	15624.50	31768.00	20367.00	13284.00	16198.00	24162.50	14099.00	11356.00	12056.00	12634.00	10582.00	12167.00	12964.00
SERINE (CAS# 56-45-1); (M-H)-	24252.50	24454.00	11128.00	44048.00	7241.00	16738.50	5111.00	4969.00	7385.00	-	1739.00	-	3324.50	6620.00	29876.00	7680.00	32884.00	18712.00	13404.00	45724.00	17334.00	21042.00	5488.00	10536.00	8307.00	-	-	-	-
SHIKIMATE (CAS# 138-59-0); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	61736.00	3182.00	-	-	-	-	-	-	-	-	-	-	-	-	38411.00	-	-
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	67566.00	-	-	-	80625.00	-	-	-	-	1601.00	-	-
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)-	10690.00	50877.00	-	2809.00	-	-	-	-	-	-	-	-	-	-	-	-	-	35150.50	9656.00	-	-	-	-	-	-	-	-	-	-
SORBITOL (CAS# 50-70-4); (M+CL)-	-	-	-	-	-	27458.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
STACHYOSE (CAS# 54261-98-2); (M+CL)-	19479.00	47359.00	62972.00	47916.00	-	70699.00	-	43832.00	157372.00	136123.00	28097.50	-	53076.00	-	-	-	16221.50	-	-	-	-	5968.00	-	-	-	-	-	-	5907.00
STACHYOSE (CAS# 54261-98-2); (M-H)-	-	-	6970.00	-	9239.00	-	-	1023.00	-	-	-	-	-	-	-	-	-	2141.00	16763.00	-	-	-	-	-	-	-	-	-	-
STACHYOSE (CAS# 54261-98-2); (M+HCOO)-	-	3594.00	1244.00	2768.00	4594.00	-	-	3662.00	7449.00	-	-	-	-	-	-	-	6396.00	5415.00	-	-	-	6666.00	-	-	-	-	-	-	-
STEARATE (CAS# 57-11-4); (M-H)-	755433.00	241224.00	718231.00	242046.00	4442129.00	449199.50	135048.00	142880.00	313083.00	279467.00	387065.50	338972.00	474322.00	223680.00	217797.00	234045.00	326895.50	227631.50	424660.00	269878.00	201508.00	211180.00	144488.00	125988.00	127357.00	164721.00	235636.50	157608.00	198969.50
SUBERIC ACID (CAS# 505-48-6); (M-H)-	22544.50	20260.50	24742.00	10640.00	28145.00	20847.00	20494.00	19753.00	27827.00	24471.00	24980.00	18070.00	19600.00	23983.00	10178.00	14435.00	14618.00	21969.50	25719.00	13388.00	15258.00	15487.00	19366.00	12614.00	19337.00	14177.00	16634.00	19588.00	24039.50
SUCCINATE (CAS# 110-15-6); (M-H)-	2294266.00	2185743.00	2052724.00	1493824.00	1140778.00	1983349.50	3561519.00	3305113.00	1221027.00	1492173.00	1144375.50	901854.00	1343164.50	1598833.00	2310354.00	1447585.00	2012802.50	1908699.00	2137060.00	2298516.00	2426377.00	2017429.50	4238032.00	3491600.00	1667218.00	1811057.00	1393923.00	-	1757852.00
SUCROSE (CAS# 57-50-1); (M+CL)-	796325.00	269897.00	1358943.00	348396.00	477411.00	-	-	-	-	-	2816900.00	-	2600213.00	-	2686671.00	1700612.00	-	164922.00	1211183.00	-	481847.00	810266.00	-	1792434.00	1435270.00	1946752.00	1400810.50	-	1355394.50
SUCROSE (CAS# 57-50-1); (M+HCOO)-	21685.00	-	2044.00	5075.00	22367.00	24149.00	-	69051.00	-	-	82619.00	-	97915.00	70654.00	-	65814.00	-	25817.00	-	-	-	3216.00	-	-	-	-	-	-	-
TARTARIC ACID (CAS# 87-69-4); (M-H)-	-	-	-	55572.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
TAURINE (CAS# 107-35-7); (M-H)-	6140.00	-	-	-	-	-	-	5725.00	7122.00	4116.00	2653.00	-	-	3916.00	-	4104.00	-	3327.00	-	-	-	5018.00	3659.00	4057.00	4453.00	-	2662.00	3989.00	6737.00
THEOPHYLLINE (CAS# 58-55-9); (M-H)-	4268.00	-	-	-	-	-	-	-	-	-	-	-	-	-	1917.00	-	-	-	1728.00	-	-	-	-	-	-	-	2177.00	-	-
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]	1379481.50	1704603.00	-	81777.00	-	912538.50	-	122700.00	174832.00	-	-	-	-	-	665104.00	-	821745.50	857292.00	-	211963.00	-	793498.50	42323.00	124023.00	-	-	36182.00	-	-
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-	27592.00	27070.50	16700.00	-	25353.00	16180.00	-	-	-	-	-	-	-	-	83932.00	-	85416.00	41661.00	81206.00	15724.00	81219.00	45724.50	-	-	-	-	-	-	-
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]	-	-	1002.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	107682.00	-	-	-	-	-	-	-	-	-
THYMIDINE (CAS# 50-89-5); (M+CL)-	-	-	-	23415.00	-	-	-	134168.00	290672.00	32091.00	21055.00	-	28352.00	213825.00	-	229244.00	-	-	-	-	-	-	-	-	-	-	-	-	-
THYMIDINE (CAS# 50-89-5); (M-H)-	98427.50	93651.00	63145.00	24322.00	51244.00	67043.50	38823.00	81094.00	185253.00	-	12015.00	-	-	404427.00	85657.00	370251.00	117087.00	32205.00	70526.00	83272.00	-	45565.00	-	198610.00	-	-	-	-	-
THYMIDINE (CAS# 50-89-5); (M+HCOO)-	1902544.50	3259888.00	195701.00	102520.00	166845.00	2200104.00	-	124927.00	277320.00	-	-	-	644423.00	573436.00	706604.00	525418.00	879132.50	1426622.00	194232.00	208597.00	94981.00	1189683.50	-	300139.00	-	-	-	-	-
THYMINE (CAS# 65-71-4); (M-H)-	-	-	-	-	178001.00	-	92091.00	45651.00	158830.00	127728.00	148794.50	-	201017.00	-	-	-	-	-	-	-	126097.00	-	114683.00	-	224645.00	-	185071.50	-	166076.00
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M-H)-	-	-	-	36458.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
THYROXINE (CAS# 51-48-9); (M-H)-	2505.00	3726.50	-	-	-	2509.50	-	-	1543.00	-	3020.50	-	2083.00	-	-	-	-	-	-	-	1089.00	-	-	-	-	-	-	-	-
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-	363141.00	-	237491.00	225585.00	-	393620.00	930468.00	772229.00	1044764.00	433012.00	240182.00	227283.00	407305.00	684790.00	-	390967.00	-	365321.00	253800.00	-	-	311482.00	1785315.00	2895178.00	2623809.00	538660.00	549327.00	-	585604.00
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-	1278000.00	532712.00	355042.00	22383.00	1127632.00	741581.00	26379.00	61391.00	825907.00	60807.00	237229.50	44803.00	464420.50	129942.00	538551.00	124504.00	629434.50	471164.00	69017.00	30040.00	315282.00	417304.50	26907.00	29980.00	82782.00	9182.00	34483.50	9936.00	12034.00
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-	-	25394.00	8577.00	385927.00	-	28748.00	149753.00	189567.00	-	51774.00	-	-	192436.50	-	13594.00	-	-	16816.50	-	484287.00	25045.00	25140.00	-	267888.00	-	-	-	-	-
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]	-	-	-	75900.00	-	-	-	-	-	-	-	-	-	92433.00	-	88224.00	-	-	-	-	14894.00	-	21811.00	22194.00	-	85742.00	-	-	-
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-	-	2016.00	2324.00	2830.00	2096.00	-	-	-	-	-	-	-	1599.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-	10664.50	3977.50	11828.00	-	43827.00	4786.50	2538.00	-	29087.00	12148.00	16046.50	5234.00	4459.50	-	-	-	-	-	-	-	6191.00	-	-	-	-	-	3928.00	-	-
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-	519884.00	328896.00	-	289844.00	678093.00	578490.00	371609.00	566884.00	438576.00	531692.00	-	-	-	-	536775.00	-	478390.00	-	562948.00	741755.00	649524.00	-	731872.00	724948.00	697426.00	784873.00	-	560965.00	-
TRYPTOPHAN (CAS# 73-22-3); (M-H)-	3788247.50	2409492.50	4175523.00	2511430.00	5439442.00	3496293.50	3409537.00	4461218.00	3813478.00	4521550.00	-	3689912.00	961949.00	6147178.00	4814767.00	5576992.00	3929579.50	2204017.50	4487210.00	5450880.00	5338719.00	3375221.00	5742978.00	5695911.00	5514419.00	6079770.00	-	4792357.00	-
TYROSINE (CAS# 60-18-4); (M-H)-	778270.00	1148115.00	645786.00	1521961.00	1777361.00	570297.00	254315.00	295902.00	503946.00	553327.00	262243.50	358322.00	179257.50	301188.00	430671.00	276638.00	1008569.00	1319609.00	708495.00	588625.00	2119398.00	1020427.50	279990.00	287366.00	411180.00	964460.00	-	-	160401.00
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	120582.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	120582.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12717.00	10283.00	-	-	-	10987.00	-	-	-	-	-	-	-
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O]	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1447.00	-	-
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-	-	-	-	155137.00	-	-	-	-	-	-	-	-	180116.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	57073.00	-	-	-	-	52156.00	-	-	-	-	-	-	-	-	-
URACIL (CAS# 66-22-8); (M-H)-	-	-	-	1725.00	694392.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
URATE (CAS# 69-93-2); (M-H)-	-	-	-	-	-	-	-	9302.00	62008.00	-	49882.50	-	1494.00	37843.00	82758.00	34586.00	73043.00	76875.00	-	-	-	81276.00	72868.00	33225.00	34862.00	-	-	15599.00	76201.00
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-	451418.00	602549.50	359760.00	-	426611.00	291854.50	278595.00	186323.00	671789.00	-	239743.00	321344.00	727582.00	2246832.00	69550.00	2163845.00	668564.00	1015401.50	756012.00	433041.00	1197365.00	745481.50	-	2312511.00	1909356.00	-	386030.00	362613.00	423780.00
URIDINE (CAS# 58-96-8); (M+CL)-	-	-	195697.00	471647.00	172837.00	-	-	-	-	33909.00	-	-	121346.00	211138.00	-	159851.00	-	-	343528.00	323493.00	-	-	-	-	-	-	-	-	-
URIDINE (CAS# 58-96-8); (M-H)-	511347.50	369218.50	742881.00	691408.00	201339.00	550369.50	184793.00	442755.00	295012.00	-	-	-	193850.00	770468.00	222515.00	711699.00	741410.00	188850.00	1059702.00	893077.00	-	891699.00	204394.00	157225.00	-	-	-	-	-
UROCANATE (CAS# 104-98-3); (M-H)-	33646.50	26701.00	8178.00	15848.00	6585.00	42346.50	8935.00	7656.00	7091.00	-	-	-	15947.00	-	2054.00	-	34697.50	36365.50	2977.00	4269.00	-	41122.00	-	-	-	-	-	-	4139.00
URSODIOL (CAS# 128-13-2); (M-H)-	121961.00	76830.50	99008.00	37994.00	-	84966.50	66192.00	66926.00	108000.00	59169.00	69684.00	84243.00	70164.00	51902.00	99083.00	51611.00	92602.50	101670.50	93134.00	94697.00	103433.00	92347.00	59389.00	50514.00	59835.00	51128.00	59723.50	45911.00	62414.50
URSODIOL (CAS# 128-13-2); (M+HCOO)-	4935.00	-	1815.00	-	-	8421.00	3548.00	4304.00	-	-	11725.50	-	11005.50	-	2050.00	-	-	4474.50	2096.00	1533.00	2320.00	3762.00	-	-	-	-	3852.50	-	3818.50
VALINE (CAS# 72-18-4); (M-H)-	761862.00	1068960.50	642841.00	318357.00	680957.00	595359.00	191484.00	210595.00	195512.00	-	316389.00	-	347090.00	-	279258.00	273666.00	475953.00	1101376.00	521551.00	-	628164.00	597867.50	165832.00	226335.00	315448.00	354137.00	428445.00	-	431678.00
XANTHINE (CAS# 69-89-6); (M-H)-	827505.00	1166839.00	2926519.00	522893.00	3274957.00	1293968.50	1330804.00	1170498.00	1315221.00	-	3171756.50	3423.00	1511796.00	815572.00	789040.00	734598.00	849095.50	1219577.00	28712.00	852656.00	4295231.00	996065.00	1326362.00	1000649.00	1291009.00	-	2917229.50	-	2003962.00
XANTHOSINE 5^-PHOSPHATE (CAS# 523-98-8); (M-H)-	-	-	-	6786.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
XANTHOSINE (CAS# 146-80-5); (M-H)-	451841.00	143909.50	2286526.00	72985.00	198784.00	2485490.00	85682.00	203560.00	192286.00	-	450496.00	74119.00	475270.00	102894.00	110306.00	98008.00	180161.50	-	79106.00	196273.00	9363.00	139888.00	-	94591.00	31508.00	-	104479.00	132348.00	130937.50
XYLOSE (CAS# 58-86-6); (M+HCOO)-	145202.50	162433.00	-	-	180611.00	141799.00	-	-	-	-	-	-	-	-	-	-	92488.00	62747.00	68742.00	-	44379.00	79995.00	-	-	-	-	-	-	-
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-	74460.50	52902.50	90858.00	208351.00	81953.00	74684.00	644234.00	597306.00	643078.00	333341.00	565990.00	372772.00	455579.50	185595.00	17143.00	224139.00	21371.00	-	15134.00	-	22617.00	24479.00	143923.00	195667.00	166789.00	111251.00	90428.50	89979.00	139672.00
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-	447844.50	399217.00	517750.00	445893.00	455487.00	445595.50	2303223.00	2033700.00	2303942.00	896566.00	1756482.50	930031.00	1111085.50	602556.00	150870.00	621380.00	169521.00	205787.50	163491.00	157314.00	192734.00	185808.00	509236.00	639821.00	574110.00	517189.00	453360.00	439648.00	578696.00

Factors:

F1	Fraction:Cells \| Growth media:NOS with TPP \| Growth phase:Early log phase \| Sample type:Cells, Cultured \| species:denticola
F2	Fraction:Cells \| Growth media:NOS with TPP \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:denticola
F3	Fraction:Cells \| Growth media:NOS with TPP \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:medium
F4	Fraction:Cells \| Growth media:NOS with TPP \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:phagedenis
F5	Fraction:Cells \| Growth media:NOS with TPP \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:vincentii
F6	Fraction:Cells \| Growth media:NOS with TPP \| Growth phase:Mid log phase \| Sample type:Cells, Cultured \| species:denticola
F7	Fraction:Cells \| Growth media:OMIZ \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:maltophilum
F8	Fraction:Cells \| Growth media:OMIZ \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:parvum
F9	Fraction:Cells \| Growth media:OMIZ \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:pectinovorum
F10	Fraction:Cells \| Growth media:OMIZ \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:vincentii
F11	Fraction:Cells \| Growth media:OMIZ with TPP \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:denticola
F12	Fraction:Cells \| Growth media:OMIZ with TPP \| Growth phase:Late log phase \| Sample type:Cells, Cultured \| species:medium
F13	Fraction:Cells \| Growth media:OMIZ with TPP \| Growth phase:Mid log phase \| Sample type:Cells, Cultured \| species:denticola
F14	Fraction:Control media \| Growth media:NOS + TPP \| Growth phase:control media \| Sample type:Culture \| species:none
F15	Fraction:Control media \| Growth media:OMIZ \| Growth phase:control media \| Sample type:Culture \| species:none
F16	Fraction:Control media \| Growth media:OMIZ + TPP \| Growth phase:control media \| Sample type:Culture \| species:none
F17	Fraction:Culture \| Growth media:- \| Growth phase:- \| Sample type:- \| species:-
F18	Fraction:Pooled cells \| Growth media:Pooled cells \| Growth phase:Pooled cells \| Sample type:Pooled sample \| species:Pooled cells
F19	Fraction:Pooled culture \| Growth media:Pooled culture \| Growth phase:Pooled culture \| Sample type:Pooled sample \| species:Pooled culture
F20	Fraction:Pooled culture media \| Growth media:Pooled culture media \| Growth phase:Pooled culture media \| Sample type:Pooled sample \| species:Pooled culture media
F21	Fraction:Supernatant \| Growth media:NOS with TPP \| Growth phase:Early log phase \| Sample type:Culture Media \| species:denticola
F22	Fraction:Supernatant \| Growth media:NOS with TPP \| Growth phase:Late log phase \| Sample type:Culture Media \| species:denticola
F23	Fraction:Supernatant \| Growth media:NOS with TPP \| Growth phase:Late log phase \| Sample type:Culture Media \| species:medium
F24	Fraction:Supernatant \| Growth media:NOS with TPP \| Growth phase:Late log phase \| Sample type:Culture Media \| species:phagedenis
F25	Fraction:Supernatant \| Growth media:NOS with TPP \| Growth phase:Late log phase \| Sample type:Culture Media \| species:vincentii
F26	Fraction:Supernatant \| Growth media:NOS with TPP \| Growth phase:Mid log phase \| Sample type:Culture Media \| species:denticola
F27	Fraction:Supernatant \| Growth media:OMIZ \| Growth phase:Late log phase \| Sample type:Culture Media \| species:maltophilum
F28	Fraction:Supernatant \| Growth media:OMIZ \| Growth phase:Late log phase \| Sample type:Culture Media \| species:parvum
F29	Fraction:Supernatant \| Growth media:OMIZ \| Growth phase:Late log phase \| Sample type:Culture Media \| species:pectinovorum
F30	Fraction:Supernatant \| Growth media:OMIZ \| Growth phase:Late log phase \| Sample type:Culture Media \| species:vincentii
F31	Fraction:Supernatant \| Growth media:OMIZ with TPP \| Growth phase:Late log phase \| Sample type:Culture Media \| species:denticola
F32	Fraction:Supernatant \| Growth media:OMIZ with TPP \| Growth phase:Late log phase \| Sample type:Culture Media \| species:medium
F33	Fraction:Supernatant \| Growth media:OMIZ with TPP \| Growth phase:Mid log phase \| Sample type:Culture Media \| species:denticola