$ID	T0	T0.5	T1	T2	T5
formate	4.15	1.83	1.36	5.23	6.0
succinate	6.0	1.83	1.36	5.23	2.67
fumarate	4.15	1.83	1.36	5.23	2.67
4-deoxy-D-glucarate	4.15	1.83	1.36	5.23	2.67
4-methylene DAP	3.45	3.24	2.53	6.5	4.53
glutarate	3.67	2.17	6.37	2.23	0.02
oxalate	4.08	9.43	5.61	3.79	8.87
N-(phosphonacetyl)-L-aspartate	9.46	4.68	1.29	5.06	1.91
2-carboxy-L-xylonolactone	8.94	6.3	3.12	0.47	6.42
L-norleucine	0.57	3.22	8.78	9.99	2.53
dimethylsulfonioacetate	8.91	0.86	8.39	4.31	3.3
DMB-S-MMP	7.89	4.7	1.42	6.06	8.35
psicoselysine	9.55	8.71	3.92	2.07	4.26
acyl phosphatidylglycerol (n-C14:0)	7.03	8.25	3.72	8.48	5.8
kynurenate	6.6	1.3	8.25	5.84	1.85
3-dehydro-2-deoxy-D-gluconate	4.78	0.36	8.54	6.58	0.75
2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA	6.14	3.01	1.03	0.48	8.27
N1, N12-bis(ethyl)spermine	6.15	2.83	4.3	1.1	9.28
mono-methyl hydrogen succinate	8.06	5.13	5.58	3.93	0.63
AMP-lysine	1.98	3.31	4.99	7.07	7.36
(2R,3S,6S)-2,6-diamino-3-hydroxy-diaminopimelate	4.94	5.08	5.49	4.71	5.35
tetrahydrothiophene	2.87	6.31	2.63	0.48	8.95
two disacharide linked murein units, tetrapeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain)	3.08	0.08	0.67	4.52	1.15
glycolate	6.59	7.06	7.13	3.3	6.93
3-picoline N-oxide	9.69	5.13	8.2	9.22	3.5
cacodylate	3.39	5.66	6.34	4.28	9.44
7,8-dihydro-D-neopterin	9.01	0.62	1.53	9.23	2.59
alpha-methyl-glutamate	0.35	2.76	4.75	9.24	2.45
alpha-monofluoromethylarginine	9.57	8.0	4.9	9.43	4.59
selenohomocysteine	6.76	7.14	6.59	6.05	8.11
2-keto-D-gluconate	2.36	3.52	8.2	2.65	3.6
AMPPNP	5.67	1.68	0.52	0.29	6.19
Microcin C	9.77	7.48	7.56	3.86	0.63
glutaconate	6.91	7.74	8.13	3.93	3.47
peptidoglycan tripeptide-Lpp crosslink	1.07	8.54	7.71	9.61	5.68
dimyristoyl phosphatidate	6.62	4.27	8.58	5.89	9.4
citreoviridin	1.22	4.7	0.13	6.06	1.35
L-2-aminoadipate	2.2	8.56	0.75	2.32	1.95
ferricyanide	2.79	3.07	7.87	1.4	1.08
acetoacetate	5.89	8.14	2.92	8.38	4.52
pantetheine	9.29	2.48	3.42	3.54	5.04
N2-succinyl-L-arginine	9.5	4.94	6.88	9.41	6.49
6-acetyl-D-glucose	1.47	1.9	7.16	1.57	9.91
D-arabinose 5-phosphate	7.65	2.23	9.32	9.9	8.08
L-xylulose-1-phosphate	1.2	6.12	8.0	2.16	3.32
D-allose-6-phosphate	5.68	6.83	3.57	2.71	7.59
GDP-4-dehydro-6-L-deoxygalactose	3.3	8.9	3.2	3.95	1.59
UDP-2,3-bis[O-(3R)-3-hydroxymyristoyl]-alpha-D-glucosamine	1.22	2.22	6.56	2.82	5.51
UDP-3-O-(3-hydroxymyristoyl)-alpha-D-glucosamine	4.62	2.66	8.25	5.17	6.19
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate	7.38	7.08	0.07	7.3	2.66
GlcNAc-1,6-anhMurNAc-L-Ala-gamma-D-Glu-DAP-D-Ala	4.77	5.52	8.12	2.05	9.82
erythritol	4.59	6.45	9.46	5.79	1.58
5-deoxy-D-glucuronate	9.84	5.09	0.32	1.09	8.94
L-fuculose	9.5	3.97	8.1	4.35	4.74
L-glucose	8.6	2.18	7.76	1.94	0.53
lactulose	0.39	1.83	0.32	1.36	5.36
lactose	0.19	9.12	2.06	6.95	3.34
glyoxylate	6.16	5.51	3.81	9.85	1.86
stearate	0.62	5.77	9.66	6.74	3.13
gentisate	5.57	9.3	3.45	4.85	6.22
2,3-dihydroxybenzoate	1.97	7.34	8.37	0.74	9.45
all-trans-octaprenyl diphosphate	2.29	3.82	9.83	6.03	0.06
distearoyl phosphatidate	4.94	3.96	1.36	3.59	2.59
ferric enterobactin	7.9	5.67	1.83	0.48	2.94
hypoxanthine	0.29	2.06	7.67	0.26	2.86
2'-deoxyguanosine	2.54	7.08	3.81	6.83	5.44
pGpp	6.8	6.55	3.18	5.38	2.25
guanosine 2',3'-cyclic monophosphate	7.62	3.63	4.4	4.3	4.48
5-hydroxy-CTP	0.82	4.15	7.83	6.72	2.12
CMP	4.07	0.95	2.99	7.64	8.23
2'-azido-2'-deoxyuridine-5'-diphosphate	3.26	5.76	2.41	5.11	2.22
7-methyladenine	7.78	8.87	6.14	0.61	2.91
3-methyladenine	0.36	7.16	3.7	9.74	5.36
2-hydroxydeoxyadenosine 5'-monophosphate	6.33	3.04	5.31	6.06	7.84
sirohydrochlorin	6.11	4.47	9.64	5.45	6.4
iodoacetate	6.62	7.3	6.55	4.62	5.44
monosodium phosphate	1.15	6.08	0.69	1.34	5.69
1,3-bisphospho-D-glycerate	1.76	9.21	2.1	1.17	5.7
d-NADH	8.24	9.44	7.24	7.68	6.81
carboxin	3.01	9.37	5.07	7.91	5.64
NAD stem group	1.68	5.56	0.25	2.13	0.21
trimethyl sulfonium	7.21	5.9	0.48	4.97	2.62
peroxynitrite	6.85	7.52	1.28	6.84	0.9
cyanide	4.61	3.89	9.04	0.62	2.73
nitrite	8.56	9.3	8.88	8.07	9.17
L-carnitinyl-CoA	6.51	9.68	8.9	5.34	9.76
(S)-3-hydroxytetradecanoyl-CoA	9.92	8.05	0.26	2.01	5.96
(R)-citramalate	2.19	7.51	2.68	1.75	9.01
folate	9.84	9.79	1.93	5.24	9.29
5-methyltetrahydropteroyltri-L-glutamate	3.03	4.89	4.76	1.57	7.63
coenzyme B12	2.36	7.3	7.2	3.57	2.34
tetramethylammonium hydroxide	3.48	0.46	1.7	7.05	5.6
L-erythro-3-phenylserine	0.82	8.87	3.12	6.03	0.48
peptidylproline (omega = 180)	8.57	8.43	1.85	6.41	7.01
O-phospho-L-homoserine	3.25	4.56	0.36	9.32	1.83
L-lysine	5.81	6.98	7.77	8.12	7.31
glycine	3.37	2.19	4.13	7.28	0.32