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Formula
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Fragments
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Retention
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1
C2H5NO2
glycine
75.0320284
12.881
10.1021/acssynbio.5b00236
2
C3H7NO3
serine
105.0425931
13.405
10.1021/acssynbio.5b00236
3
C5H9NO2
proline
115.0633285
9.428
10.1021/acssynbio.5b00236
4
C5H11NO2
valine
117.0789786
9.659
10.1021/acssynbio.5b00236
5
C4H9NO3
threonine/homoserine
119.0582432
12.122
10.1021/acssynbio.5b00236
6
C5H9NO3
4-hydroxy-L-proline
131.0582432
11.6
10.1021/acssynbio.5b00236
7
C6H13NO2
leucine
131.0946287
8.097
10.1021/acssynbio.5b00236
8
C6H13NO2
isoleucine
131.0946287
8.503
10.1021/acssynbio.5b00236
9
C4H8N2O3
asparagine
132.0534921
13.371
10.1021/acssynbio.5b00236
10
C4H7NO4
aspartate
133.0375077
14.772
10.1021/acssynbio.5b00236
11
C5H10N2O3
glutamine
146.0691422
12.881
10.1021/acssynbio.5b00236
12
C6H14N2O2
lysine
146.1055277
22.342
10.1021/acssynbio.5b00236
13
C5H9NO4
glutamate
147.0531578
14.306
10.1021/acssynbio.5b00236
14
C6H9N3O2
histidine
155.0694765
14.696
10.1021/acssynbio.5b00236
15
C9H11NO2
phenylalanine
165.0789786
8.13
10.1021/acssynbio.5b00236
16
C6H14N4O2
arginine
174.1116757
22.695
10.1021/acssynbio.5b00236
17
C6H13N3O3
citrulline
175.0956913
13.747
10.1021/acssynbio.5b00236
18
C9H11NO3
tyrosine
181.0738932
10.694
10.1021/acssynbio.5b00236
19
C11H12N2O2
tryptophan
204.0898776
9.104
10.1021/acssynbio.5b00236
20
C5H11NO2S
methionine
149.0510496
9.203
10.1021/acssynbio.5b00236
21
C6H12N2O4S2
cystine
240.0238489
16.72
10.1021/acssynbio.5b00236
22
C8H16N2O4S2
homocystine
268.055149
15.523
10.1021/acssynbio.5b00236
23
C3H7NO2S
cysteine
121.0197495
0.0
10.1021/acssynbio.5b00236
24
C7H14N2O4S
cystathionine
222.0674279
16.636
10.1021/acssynbio.5b00236
25
C8H14N2O5S
glutamylcysteine
250.0623426
13.263
10.1021/acssynbio.5b00236
26
C10H17N3O6S
glutathione
307.0838063
12.718
10.1021/acssynbio.5b00236
27
C20H32N6O12S2
glutathione disulfide
612.1519625
18.191
10.1021/acssynbio.5b00236
28
C3H3O3S
mercaptopyruvate
118.98029
0.0
10.1021/acssynbio.5b00236
29
C4H9NO2S
homocysteine
135.0353995
0.0
10.1021/acssynbio.5b00236
30
C15H22N6O5S
adenosylmethionine
398.1372388
10.517
10.1021/acssynbio.5b00236
31
C13H22N4O8S2
glutathionyl-cysteine
426.0879057
0.0
10.1021/acssynbio.5b00236
32
S
cysteine or other cys or SH containing metabolite
1.0
1.0
10.1021/acssynbio.5b00236
33
NA
Adenine
0.0
10.17071676
10.1038/ncomms9289
GFFGJBXGBJISGV-UHFFFAOYSA-N
34
NA
Xanthine
0.0
13.63918698
10.1038/ncomms9289
35
NA
Unk_728.1891p_726.1732n_28.7_RB_BiocrustExp
0.0
28.65584217
10.1038/ncomms9289
36
NA
7Hex+C7H16O7
0.0
24.06371245
10.1038/ncomms9289
37
NA
6Hex+C7H16O7
0.0
23.76283152
10.1038/ncomms9289
38
NA
5Hex+C7H16O7
0.0
23.36231845
10.1038/ncomms9289
39
NA
Trihexose
0.0
21.97257941
10.1038/ncomms9289
40
NA
4Hex+C7H16O7
0.0
22.92513649
10.1038/ncomms9289
41
NA
Unk_812.4166p_810.3997n_22.8_RB_BiocrustExp
0.0
22.82260605
10.1038/ncomms9289
42
NA
Unk_679.2675p_677.258n_23.5_RB_BiocrustExp
0.0
23.46866931
10.1038/ncomms9289
43
C7H16O7
C7H16O7_213.0931p_211.073n_22.6_RB_BiocrustExp
0.0
22.60409476
10.1038/ncomms9289
44
NA
3Hex+C7H16O7
0.0
22.37961622
10.1038/ncomms9289
45
NA
Dihexose
0.0
21.07068084
10.1038/ncomms9289
46
NA
2Hex+glycerol
0.0
21.24253315
10.1038/ncomms9289
47
NA
Unk_255.1013p_253.0852n_20_RB_BiocrustExp
0.0
20.01891923
10.1038/ncomms9289
48
C9H18NO10S
C9H18NO10S_336.0972p_317.0548n_19.7_RB_BiocrustExp
0.0
19.69312129
10.1038/ncomms9289
49
NA
Hexosylglycerol
0.0
18.99813442
10.1038/ncomms9289
50
C19H30N2O12
C19H30N2O12_479.1877p_477.1774n_18.5_RB_BiocrustExp
0.0
18.54995991
10.1038/ncomms9289
51
NA
Unk_694.2936p_692.2762n_16.4_RB_BiocrustExp
0.0
16.39409468
10.1038/ncomms9289
52
NA
Unk_251.1647p_249.1486n_6.8_RB_BiocrustExp
0.0
6.826368405
10.1038/ncomms9289
53
NA
Unk_504.3268p_485.2825n_3.2_RB_BiocrustExp
0.0
3.231633904
10.1038/ncomms9289
54
NA
Unk_836.5569p_817.5176n_3.9_RB_BiocrustExp
0.0
3.937068822
10.1038/ncomms9289
55
C18H36O2
C18:0 fatty acid
0.0
5.083542982
10.1038/ncomms9289
56
C16H32O2
C16:0 fatty acid
0.0
4.288171969
10.1038/ncomms9289
57
C14H28O2
C14:0 fatty acid
0.0
4.348506139
10.1038/ncomms9289
58
NA
Unk_0p_426.9698n_4.5_RB_BiocrustExp
0.0
4.476804732
10.1038/ncomms9289
59
NA
Unk_0p_213.963n_7.4_RB_BiocrustExp
0.0
7.403037173
10.1038/ncomms9289
60
C10H20O2
C10:0 fatty acid
0.0
6.788554452
10.1038/ncomms9289
61
C7H8O3S
C7H8O3S
0.0
7.901355164
10.1038/ncomms9289
62
C7H6O3
Hydroxybenzoic acid
0.0
7.886313853
10.1038/ncomms9289
63
C6H8O7
Citrate/Isocitrate
0.0
20.4420552
10.1038/ncomms9289
64
C18H33O19P
3Hex phosphate
0.0
20.97585897
10.1038/ncomms9289
65
C4H6O4
Succinate
0.0
19.61786892
10.1038/ncomms9289
66
C4H6O5
Malate
0.0
19.82102156
10.1038/ncomms9289
67
C7H12O5
2-isopropylmalate
0.0
15.26443456
10.1038/ncomms9289
68
C5H8O5
Citramalic acid
0.0
19.66726777
10.1038/ncomms9289
69
C5H6O6S
C5H6O6S_0p_192.9804n_18.5_RB_BiocrustExp
0.0
18.5005314
10.1038/ncomms9289
70
C9H10O4
C9H10O4_0p_181.0496n_19.4_RB_BiocrustExp
0.0
19.37678711
10.1038/ncomms9289
71
C9H18O10S
C9H18O10S_0p_317.0547n_19.5_RB_BiocrustExp
0.0
19.51396754
10.1038/ncomms9289
72
C9H18O11S
C9H18O11S_0p_333.0505n_18.5_RB_BiocrustExp
0.0
18.45056826
10.1038/ncomms9289
73
NA
Unk_0p_565.1012n_20.1_RB_BiocrustExp
0.0
20.14143946
10.1038/ncomms9289
74
C9H16O9
Hexosylglycerate
0.0
19.50322195
10.1038/ncomms9289
75
C15H22O3
C15H22O3_0p_249.149n_6_RB_BiocrustExp
0.0
5.969846137
10.1038/ncomms9289
76
NA
Unk_0p_297.1528n_6.7_RB_BiocrustExp
0.0
6.733929621
10.1038/ncomms9289
77
C6H12N2O3
Ala-Ala
0.0
21.18900917
10.1038/ncomms9289
78
NA
(Glu-Val)
0.0
19.38535361
10.1038/ncomms9289
79
NA
(Glu-Leu/Ile)
0.0
18.91287561
10.1038/ncomms9289
80
C8H14N2O5
(Glu-Ala)
0.0
20.07904796
10.1038/ncomms9289
81
NA
acetylglutamate
0.0
19.51270137
10.1038/ncomms9289
82
NA
Adenosine
0.0
11.19858065
10.1038/ncomms9289
83
NA
Cytosine
0.0
15.08411745
10.1038/ncomms9289
84
NA
Glycerophosphocholine
0.0
22.95167974
10.1038/ncomms9289
85
NA
Guanine
0.0
16.1636023
10.1038/ncomms9289
86
NA
Hypoxanthine
0.0
13.16699898
10.1038/ncomms9289
87
C4H4N2O2
Uracil
0.0
8.179501093
10.1038/ncomms9289
88
NA
Unk_268.9986p_0n_43.8_RB_BiocrustExp
0.0
43.81194641
10.1038/ncomms9289
89
C9H20N2O2
C9H20N2O2_189.1596p_0n_33.5_RB_BiocrustExp
0.0
33.45883707
10.1038/ncomms9289
90
C11H23N3O2
C11H23N3O2_230.1837p_0n_30.7_RB_BiocrustExp
0.0
30.6524654
10.1038/ncomms9289
91
C7H15NO2
C7H15NO2_146.1187p_0n_25.5_RB_BiocrustExp
0.0
25.4970163
10.1038/ncomms9289
92
NA
Unk_507.2632p_0n_30.1_RB_BiocrustExp
0.0
30.07929212
10.1038/ncomms9289
93
C10H20N4O4
C10H20N4O4_261.1555p_0n_27.8_RB_BiocrustExp
0.0
27.79841822
10.1038/ncomms9289
94
NA
Unk_729.3423p_0n_28_RB_BiocrustExp
0.0
28.02601466
10.1038/ncomms9289
95
NA
Unk_665.3125p_0n_28.1_RB_BiocrustExp
0.0
28.07258547
10.1038/ncomms9289
96
NA
Unk_288.1902p_0n_25.8_RB_BiocrustExp
0.0
25.82708231
10.1038/ncomms9289
97
NA
Unk_717.3086p_0n_27.1_RB_BiocrustExp
0.0
27.05370664
10.1038/ncomms9289
98
C9H18N2O4
C9H18N2O4_219.134p_0n_24.2_RB_BiocrustExp
0.0
24.20965406
10.1038/ncomms9289
99
C11H22N2O3
C11H22N2O3_231.1709p_0n_24_RB_BiocrustExp
0.0
24.04633751
10.1038/ncomms9289
100
C10H20N2O3
C10H20N2O3_217.1546p_0n_24.2_RB_BiocrustExp
0.0
24.21213467
10.1038/ncomms9289
101
NA
Hexahexose (6Hex)
0.0
23.67031682
10.1038/ncomms9289
102
NA
Unk_457.163p_0n_25.2_RB_BiocrustExp
0.0
25.22644817
10.1038/ncomms9289
103
NA
Unk_401.1956p_0n_24.8_RB_BiocrustExp
0.0
24.80753982
10.1038/ncomms9289
104
NA
9Hex+C7H16O7
0.0
24.62257385
10.1038/ncomms9289
105
NA
Unk_263.1019p_0n_24.4_RB_BiocrustExp
0.0
24.43387848
10.1038/ncomms9289
106
NA
Unk_216.125p_0n_23.2_RB_BiocrustExp
0.0
23.19120672
10.1038/ncomms9289
107
NA
Pentahexose (5Hex)
0.0
23.19214938
10.1038/ncomms9289
108
NA
Unk_129.0648p_0n_23.8_RB_BiocrustExp
0.0
23.84261705
10.1038/ncomms9289
109
C5H8N2O2
C5H8N2O2_129.0669p_0n_21.7_RB_BiocrustExp
0.0
21.74597379
10.1038/ncomms9289
110
C6H13N3O4
C6H13N3O4_192.0976p_0n_22_RB_BiocrustExp
0.0
21.99409763
10.1038/ncomms9289
111
C11H21N3O3
C11H21N3O3_244.1653p_0n_23.1_RB_BiocrustExp
0.0
23.11940316
10.1038/ncomms9289
112
C6H14N2O3S
C6H14N2O3S_195.0817p_0n_23.1_RB_BiocrustExp
0.0
23.12903379
10.1038/ncomms9289
113
NA
Histidine betaine
0.0
23.26636769
10.1038/ncomms9289
114
NA
Unk_257.0965p_0n_24.6_RB_BiocrustExp
0.0
24.64748605
10.1038/ncomms9289
115
NA
8Hex+C7H16O7
0.0
24.37711543
10.1038/ncomms9289
116
NA
Unk_287.1359p_0n_23.2_RB_BiocrustExp
0.0
23.18243916
10.1038/ncomms9289
117
NA
Unk_287.234p_0n_23.9_RB_BiocrustExp
0.0
23.90044788
10.1038/ncomms9289
118
NA
Unk_354.1525p_0n_23.2_RB_BiocrustExp
0.0
23.20098293
10.1038/ncomms9289
119
NA
Unk_117.1036p_0n_22.6_RB_BiocrustExp
0.0
22.62515425
10.1038/ncomms9289
120
NA
Unk_494.3482p_0n_22.8_RB_BiocrustExp
0.0
22.82712493
10.1038/ncomms9289
121
NA
Unk_340.142p_0n_23.2_RB_BiocrustExp
0.0
23.17820206
10.1038/ncomms9289
122
NA
Unk_258.1483p_0n_22.6_RB_BiocrustExp
0.0
22.60933403
10.1038/ncomms9289
123
NA
Unk_480.3311p_0n_22.4_RB_BiocrustExp
0.0
22.36375354
10.1038/ncomms9289
124
NA
Unk_141.1142p_0n_21.5_RB_BiocrustExp
0.0
21.53106894
10.1038/ncomms9289
125
NA
Unk_203.0569p_0n_22_RB_BiocrustExp
0.0
22.01601806
10.1038/ncomms9289
126
C9H18N2O3
C9H18N2O3_203.14p_0n_21.7_RB_BiocrustExp
0.0
21.70319003
10.1038/ncomms9289
127
C5H11N3O2
Guanidinobutanoate
0.0
22.02491164
10.1038/ncomms9289
128
NA
Unk_275.1354p_0n_21.8_RB_BiocrustExp
0.0
21.83909437
10.1038/ncomms9289
129
NA
Unk_274.1535p_0n_22.1_RB_BiocrustExp
0.0
22.1049482
10.1038/ncomms9289
130
C10H19N5O4
C10H19N5O4_274.1799p_0n_22.8_RB_BiocrustExp
0.0
22.75685975
10.1038/ncomms9289
131
C5H11NO3S
Methionine sulfoxide
0.0
21.34289565
10.1038/ncomms9289
132
C7H14N2O3
C7H14N2O3_175.107p_0n_23.4_RB_BiocrustExp
0.0
23.36727941
10.1038/ncomms9289
133
NA
Unk_513.1904p_0n_23.1_RB_BiocrustExp
0.0
23.108973
10.1038/ncomms9289
134
NA
Unk_349.0974p_0n_22.8_RB_BiocrustExp
0.0
22.76796047
10.1038/ncomms9289
135
C7H14N2O3
acetylornithine
0.0
22.23165396
10.1038/ncomms9289
136
C8H16N2O3
C8H16N2O3_189.1239p_0n_22.2_RB_BiocrustExp
0.0
22.17204225
10.1038/ncomms9289
137
NA
Unk_288.1924p_0n_22.1_RB_BiocrustExp
0.0
22.10954001
10.1038/ncomms9289
138
NA
Unk_459.1863p_0n_21.8_RB_BiocrustExp
0.0
21.82824474
10.1038/ncomms9289
139
NA
Mercaptohistidine betaine
0.0
21.7862962
10.1038/ncomms9289
140
NA
2Hex+C7H16O7
0.0
21.66883447
10.1038/ncomms9289
141
NA
Unk_294.1098p_0n_22_RB_BiocrustExp
0.0
22.02342697
10.1038/ncomms9289
142
C8H15NO3
C8H15NO3_174.1125p_0n_21.4_RB_BiocrustExp
0.0
21.44151512
10.1038/ncomms9289
143
NA
Unk_638.2512p_0n_21.5_RB_BiocrustExp
0.0
21.53027388
10.1038/ncomms9289
144
NA
Unk_205.1196p_0n_20.9_RB_BiocrustExp
0.0
20.85440816
10.1038/ncomms9289
145
NA
Unk_189.1215p_0n_20.5_RB_BiocrustExp
0.0
20.47722525
10.1038/ncomms9289
146
C6H13N3O2
C6H13N3O2_160.1095p_0n_20.9_RB_BiocrustExp
0.0
20.92580304
10.1038/ncomms9289
147
C5H9NO3
C5H9NO3_132.0651p_0n_20.4_RB_BiocrustExp
0.0
20.43568024
10.1038/ncomms9289
148
NA
Unk_275.0227p_0n_20.6_RB_BiocrustExp
0.0
20.56740824
10.1038/ncomms9289
149
NA
Unk_349.2046p_0n_21.1_RB_BiocrustExp
0.0
21.07212261
10.1038/ncomms9289
150
C7H14N2O3
C7H14N2O3_175.108p_0n_20.3_RB_BiocrustExp
0.0
20.32135108
10.1038/ncomms9289
151
C7H15N3O3
C7H15N3O3_190.1185p_0n_20.5_RB_BiocrustExp
0.0
20.50902904
10.1038/ncomms9289
152
NA
Unk_218.1134p_0n_19.9_RB_BiocrustExp
0.0
19.91367527
10.1038/ncomms9289
153
C9H19O11P
Glucosylglycerolphosphate
0.0
19.7743394
10.1038/ncomms9289
154
C10H20N4O3
C10H20N4O3_245.1637p_0n_19.7_RB_BiocrustExp
0.0
19.67742464
10.1038/ncomms9289
155
NA
Unk_302.2132p_0n_20.9_RB_BiocrustExp
0.0
20.94746911
10.1038/ncomms9289
156
NA
Unk_398.2081p_0n_20.9_RB_BiocrustExp
0.0
20.8751631
10.1038/ncomms9289
157
NA
Unk_344.126p_0n_20_RB_BiocrustExp
0.0
20.04631439
10.1038/ncomms9289
158
NA
Unk_428.2144p_0n_20.5_RB_BiocrustExp
0.0
20.53417783
10.1038/ncomms9289
159
C9H15N3O2
C9H15N3O2_198.1231p_0n_20.3_RB_BiocrustExp
0.0
20.29294068
10.1038/ncomms9289
160
C9H17NO3
C9H17NO3_188.128p_0n_21.3_RB_BiocrustExp
0.0
21.29245855
10.1038/ncomms9289
161
NA
Unk_462.2196p_0n_21.3_RB_BiocrustExp
0.0
21.26193062
10.1038/ncomms9289
162
NA
Unk_314.1781p_0n_21.1_RB_BiocrustExp
0.0
21.06021308
10.1038/ncomms9289
163
NA
Unk_774.252p_0n_20.8_RB_BiocrustExp
0.0
20.80003857
10.1038/ncomms9289
164
NA
Unk_310.1757p_0n_23.4_RB_BiocrustExp
0.0
23.38466167
10.1038/ncomms9289
165
NA
Unk_112.0769p_0n_20.5_RB_BiocrustExp
0.0
20.47133038
10.1038/ncomms9289
166
C13H21N3O3
C13H21N3O3_268.1669p_0n_20.3_RB_BiocrustExp
0.0
20.26290334
10.1038/ncomms9289
167
C6H15NO2
C6H15NO2_134.1175p_0n_20.1_RB_BiocrustExp
0.0
20.09219392
10.1038/ncomms9289
168
NA
Unk_215.0154p_0n_20.6_RB_BiocrustExp
0.0
20.60487873
10.1038/ncomms9289
169
C10H18N2O6S
Glu-methionine sulfoxide
0.0
20.10542638
10.1038/ncomms9289
170
NA
Unk_335.0713p_0n_20.2_RB_BiocrustExp
0.0
20.20896792
10.1038/ncomms9289
171
NA
Unk_381.1503p_0n_19.7_RB_BiocrustExp
0.0
19.74782109
10.1038/ncomms9289
172
NA
Unk_403.1335p_0n_19.7_RB_BiocrustExp
0.0
19.73377716
10.1038/ncomms9289
173
C8H16N2O3
acetyllysine
0.0
19.66185077
10.1038/ncomms9289
174
NA
Glycine betaine
0.0
19.55367152
10.1038/ncomms9289
175
NA
Unk_316.1329p_0n_19.4_RB_BiocrustExp
0.0
19.39450784
10.1038/ncomms9289
176
NA
Unk_149.0895p_0n_19.3_RB_BiocrustExp
0.0
19.30863308
10.1038/ncomms9289
177
NA
Unk_204.0431p_0n_19.4_RB_BiocrustExp
0.0
19.44918962
10.1038/ncomms9289
178
NA
Unk_302.1171p_0n_19.6_RB_BiocrustExp
0.0
19.59845621
10.1038/ncomms9289
179
C6H10N2O3
C6H10N2O3_159.0721p_0n_19.7_RB_BiocrustExp
0.0
19.69053394
10.1038/ncomms9289
180
C6H12N2O3
C6H12N2O3_161.0906p_0n_20.1_RB_BiocrustExp
0.0
20.06076498
10.1038/ncomms9289
181
NA
Oligosaccharide
0.0
20.1280444
10.1038/ncomms9289
182
NA
Unk_174.1221p_0n_20.1_RB_BiocrustExp
0.0
20.11060539
10.1038/ncomms9289
183
NA
Unk_231.1424p_0n_20.1_RB_BiocrustExp
0.0
20.06061412
10.1038/ncomms9289
184
NA
Unk_360.1249p_0n_20_RB_BiocrustExp
0.0
19.9860244
10.1038/ncomms9289
185
NA
Unk_300.103p_0n_20.1_RB_BiocrustExp
0.0
20.08097584
10.1038/ncomms9289
186
C9H18N2O5
C9H18N2O5_235.1288p_0n_20.1_RB_BiocrustExp
0.0
20.08742421
10.1038/ncomms9289
187
NA
Unk_254.0832p_0n_20.4_RB_BiocrustExp
0.0
20.40482592
10.1038/ncomms9289
188
NA
Unk_291.0684p_0n_19.6_RB_BiocrustExp
0.0
19.62347564
10.1038/ncomms9289
189
NA
Unk_217.1173p_0n_19.6_RB_BiocrustExp
0.0
19.55488011
10.1038/ncomms9289
190
C15H29O16P
C15H29O16P_497.1291p_0n_19.9_RB_BiocrustExp
0.0
19.8786795
10.1038/ncomms9289
191
NA
Unk_230.0959p_0n_19.8_RB_BiocrustExp
0.0
19.79978766
10.1038/ncomms9289
192
NA
Unk_286.1223p_0n_18.5_RB_BiocrustExp
0.0
18.50064735
10.1038/ncomms9289
193
NA
Unk_244.1113p_0n_19.3_RB_BiocrustExp
0.0
19.3041184
10.1038/ncomms9289
194
NA
Unk_298.1221p_0n_19.2_RB_BiocrustExp
0.0
19.17973256
10.1038/ncomms9289
195
NA
Unk_371.1806p_0n_19.2_RB_BiocrustExp
0.0
19.17646455
10.1038/ncomms9289
196
C6H11NO2
Pipecolic acid
0.0
19.14296871
10.1038/ncomms9289
197
NA
Unk_276.1001p_0n_18.5_RB_BiocrustExp
0.0
18.50362788
10.1038/ncomms9289
198
NA
Unk_120.0649p_0n_17.7_RB_BiocrustExp
0.0
17.70117355
10.1038/ncomms9289
199
NA
Unk_302.1972p_0n_18_RB_BiocrustExp
0.0
17.95039085
10.1038/ncomms9289
200
C6H8N2O2
C6H8N2O2_141.0657p_0n_18.9_RB_BiocrustExp
0.0
18.88164094
10.1038/ncomms9289
201
NA
Unk_233.0618p_0n_18.5_RB_BiocrustExp
0.0
18.49508291
10.1038/ncomms9289
202
NA
Unk_298.1223p_0n_17.8_RB_BiocrustExp
0.0
17.84085129
10.1038/ncomms9289
203
C6H6N2O2
Urocanic acid
0.0
18.04486762
10.1038/ncomms9289
204
NA
Unk_276.1059p_0n_17.2_RB_BiocrustExp
0.0
17.15171929
10.1038/ncomms9289
205
C11H17NO7
C11H17NO7_276.1152p_0n_16.5_RB_BiocrustExp
0.0
16.49534117
10.1038/ncomms9289
206
NA
Unk_253.0869p_0n_16.8_RB_BiocrustExp
0.0
16.81695338
10.1038/ncomms9289
207
NA
Unk_330.1445p_0n_17.2_RB_BiocrustExp
0.0
17.24349379
10.1038/ncomms9289
208
NA
Unk_354.1542p_0n_17.2_RB_BiocrustExp
0.0
17.23652389
10.1038/ncomms9289
209
NA
Unk_328.137p_0n_17_RB_BiocrustExp
0.0
16.99122304
10.1038/ncomms9289
210
NA
Unk_356.1625p_0n_16.9_RB_BiocrustExp
0.0
16.86568457
10.1038/ncomms9289
211
C6H12N2O3
C6H12N2O3_161.0928p_0n_16.9_RB_BiocrustExp
0.0
16.94369214
10.1038/ncomms9289
212
NA
Unk_312.1457p_0n_17.8_RB_BiocrustExp
0.0
17.76097812
10.1038/ncomms9289
213
NA
Unk_159.0791p_0n_17.5_RB_BiocrustExp
0.0
17.51418719
10.1038/ncomms9289
214
NA
Unk_134.0296p_0n_17.7_RB_BiocrustExp
0.0
17.71685102
10.1038/ncomms9289
215
NA
Unk_342.1577p_0n_17.6_RB_BiocrustExp
0.0
17.61369093
10.1038/ncomms9289
216
NA
Unk_167.0515p_0n_17.5_RB_BiocrustExp
0.0
17.52959461
10.1038/ncomms9289
217
NA
Unk_118.1224p_0n_17_RB_BiocrustExp
0.0
17.03639273
10.1038/ncomms9289
218
C11H23NO2
C11H23NO2_202.1758p_0n_16.4_RB_BiocrustExp
0.0
16.42068962
10.1038/ncomms9289
219
NA
Unk_344.157p_0n_16.9_RB_BiocrustExp
0.0
16.89742783
10.1038/ncomms9289
220
C10H20N2O
C10H20N2O_185.1633p_0n_16.7_RB_BiocrustExp
0.0
16.65821243
10.1038/ncomms9289
221
NA
Unk_204.0869p_0n_16.9_RB_BiocrustExp
0.0
16.86498874
10.1038/ncomms9289
222
NA
Leucine/Isoleucine
0.0
16.75943339
10.1038/ncomms9289
223
NA
Unk_158.1507p_0n_16.3_RB_BiocrustExp
0.0
16.25975285
10.1038/ncomms9289
224
NA
Unk_625.2631p_0n_15.4_RB_BiocrustExp
0.0
15.39599358
10.1038/ncomms9289
225
C9H18N2O
C9H18N2O_171.1499p_0n_15.5_RB_BiocrustExp
0.0
15.50307602
10.1038/ncomms9289
226
NA
Unk_164.054p_0n_14.4_RB_BiocrustExp
0.0
14.41247999
10.1038/ncomms9289
227
NA
Unk_1152.645p_0n_14.6_RB_BiocrustExp
0.0
14.59570557
10.1038/ncomms9289
228
NA
Unk_304.2808p_0n_13.1_RB_BiocrustExp
0.0
13.12848593
10.1038/ncomms9289
229
NA
Unk_746.4142p_0n_17.1_RB_BiocrustExp
0.0
17.08140955
10.1038/ncomms9289
230
NA
Unk_212.094p_0n_17.4_RB_BiocrustExp
0.0
17.35328634
10.1038/ncomms9289
231
NA
Unk_314.1428p_0n_16.4_RB_BiocrustExp
0.0
16.36576961
10.1038/ncomms9289
232
C14H23N3O3S
C14H23N3O3S_314.1542p_0n_16.1_RB_BiocrustExp
0.0
16.09355443
10.1038/ncomms9289
233
NA
Unk_271.1234p_0n_16.3_RB_BiocrustExp
0.0
16.31228392
10.1038/ncomms9289
234
NA
Unk_303.1299p_0n_16.4_RB_BiocrustExp
0.0
16.35182219
10.1038/ncomms9289
235
NA
Unk_398.1758p_0n_16_RB_BiocrustExp
0.0
16.01680261
10.1038/ncomms9289
236
NA
Unk_209.1103p_0n_16.4_RB_BiocrustExp
0.0
16.43364716
10.1038/ncomms9289
237
NA
Unk_195.0251p_0n_15.8_RB_BiocrustExp
0.0
15.84239299
10.1038/ncomms9289
238
NA
Unk_603.2775p_0n_15.3_RB_BiocrustExp
0.0
15.34177345
10.1038/ncomms9289
239
NA
Unk_141.0544p_0n_15.7_RB_BiocrustExp
0.0
15.73609406
10.1038/ncomms9289
240
NA
Unk_168.0624p_0n_15.2_RB_BiocrustExp
0.0
15.15616391
10.1038/ncomms9289
241
NA
Unk_588.2905p_0n_15.2_RB_BiocrustExp
0.0
15.16518977
10.1038/ncomms9289
242
NA
Unk_186.0703p_0n_15.2_RB_BiocrustExp
0.0
15.15042097
10.1038/ncomms9289
243
NA
Unk_180.1021p_0n_15.2_RB_BiocrustExp
0.0
15.16775007
10.1038/ncomms9289
244
NA
Unk_199.1804p_0n_16.4_RB_BiocrustExp
0.0
16.40006691
10.1038/ncomms9289
245
NA
Unk_220.1148p_0n_16.4_RB_BiocrustExp
0.0
16.38118939
10.1038/ncomms9289
246
NA
Unk_239.2059p_0n_16.1_RB_BiocrustExp
0.0
16.12974161
10.1038/ncomms9289
247
NA
Unk_263.2126p_0n_15.7_RB_BiocrustExp
0.0
15.69198268
10.1038/ncomms9289
248
NA
Unk_177.0887p_0n_15.8_RB_BiocrustExp
0.0
15.80070454
10.1038/ncomms9289
249
NA
Unk_144.0798p_0n_15.8_RB_BiocrustExp
0.0
15.83735365
10.1038/ncomms9289
250
NA
Unk_259.1094p_0n_15.4_RB_BiocrustExp
0.0
15.35971277
10.1038/ncomms9289
251
NA
Unk_276.1031p_0n_15.3_RB_BiocrustExp
0.0
15.30771607
10.1038/ncomms9289
252
NA
Unk_234.1266p_0n_15.2_RB_BiocrustExp
0.0
15.17028663
10.1038/ncomms9289
253
NA
Unk_116.0679p_0n_15.3_RB_BiocrustExp
0.0
15.25454294
10.1038/ncomms9289
254
NA
Unk_281.1501p_0n_16_RB_BiocrustExp
0.0
16.00156513
10.1038/ncomms9289
255
NA
Unk_142.0865p_0n_15.1_RB_BiocrustExp
0.0
15.05740458
10.1038/ncomms9289
256
C27H50O12
C27H50O12_584.3612p_0n_14.5_RB_BiocrustExp
0.0
14.50250649
10.1038/ncomms9289
257
C34H62O17
C34H62O17_760.4323p_0n_14.7_RB_BiocrustExp
0.0
14.73398205
10.1038/ncomms9289
258
NA
Unk_484.2498p_0n_14.8_RB_BiocrustExp
0.0
14.78207768
10.1038/ncomms9289
259
NA
Unk_183.0975p_0n_14.5_RB_BiocrustExp
0.0
14.50646545
10.1038/ncomms9289
260
C10H7NO3
C10H7NO3_190.0461p_0n_14.7_RB_BiocrustExp
0.0
14.68898235
10.1038/ncomms9289
261
NA
Unk_220.1185p_0n_14.8_RB_BiocrustExp
0.0
14.82717857
10.1038/ncomms9289
262
NA
Unk_166.0716p_0n_14.5_RB_BiocrustExp
0.0
14.50007358
10.1038/ncomms9289
263
NA
Unk_129.0623p_0n_14.3_RB_BiocrustExp
0.0
14.32667348
10.1038/ncomms9289
264
C11H15N5O5
Methylguanosine
0.0
14.35574836
10.1038/ncomms9289
265
NA
Unk_290.2675p_0n_13.9_RB_BiocrustExp
0.0
13.91598342
10.1038/ncomms9289
266
NA
Unk_182.0645p_0n_14.1_RB_BiocrustExp
0.0
14.10072994
10.1038/ncomms9289
267
NA
Unk_130.1592p_0n_13.4_RB_BiocrustExp
0.0
13.41529524
10.1038/ncomms9289
268
NA
Methylguanine
0.0
13.36129381
10.1038/ncomms9289
269
C4H4N2O2
C4H4N2O2_113.0341p_0n_13.4_RB_BiocrustExp
0.0
13.41793694
10.1038/ncomms9289
270
NA
Unk_758.5627p_0n_13.4_RB_BiocrustExp
0.0
13.42940883
10.1038/ncomms9289
271
NA
Unk_242.2861p_0n_13.1_RB_BiocrustExp
0.0
13.07729382
10.1038/ncomms9289
272
NA
Unk_242.1024p_0n_13.3_RB_BiocrustExp
0.0
13.33378991
10.1038/ncomms9289
273
NA
Unk_800.6217p_0n_13.4_RB_BiocrustExp
0.0
13.37551119
10.1038/ncomms9289
274
NA
Unk_270.3165p_0n_12.9_RB_BiocrustExp
0.0
12.9276166
10.1038/ncomms9289
275
NA
Unk_272.1864p_0n_13.4_RB_BiocrustExp
0.0
13.41188019
10.1038/ncomms9289
276
NA
Unk_666.3639p_0n_13.4_RB_BiocrustExp
0.0
13.43965482
10.1038/ncomms9289
277
NA
Unk_772.5796p_0n_13.3_RB_BiocrustExp
0.0
13.2717118
10.1038/ncomms9289
278
NA
Unk_668.3243p_0n_13.5_RB_BiocrustExp
0.0
13.5266397
10.1038/ncomms9289
279
NA
Unk_786.5917p_0n_13.4_RB_BiocrustExp
0.0
13.36180746
10.1038/ncomms9289
280
NA
Unk_670.4018p_0n_13.2_RB_BiocrustExp
0.0
13.20463468
10.1038/ncomms9289
281
NA
Unk_694.3979p_0n_13.3_RB_BiocrustExp
0.0
13.26419808
10.1038/ncomms9289
282
NA
Unk_696.4193p_0n_13.1_RB_BiocrustExp
0.0
13.14627688
10.1038/ncomms9289
283
NA
Unk_103.954p_0n_13_RB_BiocrustExp
0.0
12.98170792
10.1038/ncomms9289
284
NA
Unk_658.4025p_0n_12.9_RB_BiocrustExp
0.0
12.94796267
10.1038/ncomms9289
285
C12H25NO2
C12H25NO2_216.1965p_0n_12.4_RB_BiocrustExp
0.0
12.39143005
10.1038/ncomms9289
286
NA
Unk_178.0751p_0n_12.8_RB_BiocrustExp
0.0
12.77122497
10.1038/ncomms9289
287
NA
Unk_131.0701p_0n_15_RB_BiocrustExp
0.0
14.99364625
10.1038/ncomms9289
288
NA
Unk_276.107p_0n_14.9_RB_BiocrustExp
0.0
14.86351802
10.1038/ncomms9289
289
NA
Unk_291.0469p_0n_14.8_RB_BiocrustExp
0.0
14.77046706
10.1038/ncomms9289
290
NA
Unk_138.0549p_0n_14.3_RB_BiocrustExp
0.0
14.3320252
10.1038/ncomms9289
291
NA
Unk_728.4062p_0n_14.5_RB_BiocrustExp
0.0
14.45573748
10.1038/ncomms9289
292
NA
Unk_538.3202p_0n_14.2_RB_BiocrustExp
0.0
14.20569628
10.1038/ncomms9289
293
NA
Unk_321.1524p_0n_14.1_RB_BiocrustExp
0.0
14.05947393
10.1038/ncomms9289
294
NA
Unk_85.0299p_0n_14.3_RB_BiocrustExp
0.0
14.28717883
10.1038/ncomms9289
295
NA
Unk_325.2007p_0n_13.5_RB_BiocrustExp
0.0
13.46536439
10.1038/ncomms9289
296
NA
Methylcytosine
0.0
13.8266883
10.1038/ncomms9289
297
NA
Unk_760.5834p_0n_13.5_RB_BiocrustExp
0.0
13.45498346
10.1038/ncomms9289
298
NA
Unk_181.0595p_0n_13.8_RB_BiocrustExp
0.0
13.75926008
10.1038/ncomms9289
299
NA
Unk_342.1752p_0n_13.3_RB_BiocrustExp
0.0
13.3249182
10.1038/ncomms9289
300
NA
Unk_531.2464p_0n_13.2_RB_BiocrustExp
0.0
13.16987232
10.1038/ncomms9289
301
NA
Unk_744.425p_0n_13_RB_BiocrustExp
0.0
13.01027334
10.1038/ncomms9289
302
NA
Unk_686.4334p_0n_12.9_RB_BiocrustExp
0.0
12.93316428
10.1038/ncomms9289
303
NA
Unk_910.6489p_0n_12.7_RB_BiocrustExp
0.0
12.67986957
10.1038/ncomms9289
304
NA
Unk_141.0579p_0n_12_RB_BiocrustExp
0.0
11.96654273
10.1038/ncomms9289
305
NA
Unk_202.2159p_0n_12.5_RB_BiocrustExp
0.0
12.46627391
10.1038/ncomms9289
306
NA
Unk_202.2174p_0n_11.4_RB_BiocrustExp
0.0
11.40756259
10.1038/ncomms9289
307
NA
Unk_159.0618p_0n_12.1_RB_BiocrustExp
0.0
12.11583998
10.1038/ncomms9289
308
NA
Unk_742.425p_0n_12.1_RB_BiocrustExp
0.0
12.05711576
10.1038/ncomms9289
309
NA
Unk_288.2915p_0n_12.1_RB_BiocrustExp
0.0
12.13511714
10.1038/ncomms9289
310
C5H8N2O2
C5H8N2O2_129.0666p_0n_11.3_RB_BiocrustExp
0.0
11.28304701
10.1038/ncomms9289
311
NA
Unk_855.4774p_0n_11.7_RB_BiocrustExp
0.0
11.69946136
10.1038/ncomms9289
312
C5H7N3O
C5H7N3O_126.0666p_0n_11.3_RB_BiocrustExp
0.0
11.33170925
10.1038/ncomms9289
313
NA
Unk_854.4743p_0n_11.9_RB_BiocrustExp
0.0
11.93229114
10.1038/ncomms9289
314
NA
Unk_186.2228p_0n_11_RB_BiocrustExp
0.0
11.01030063
10.1038/ncomms9289
315
C6H6N4O
C6H6N4O_151.0613p_0n_11.2_RB_BiocrustExp
0.0
11.21132043
10.1038/ncomms9289
316
NA
Unk_998.6661p_0n_10.6_RB_BiocrustExp
0.0
10.61603474
10.1038/ncomms9289
317
NA
Unk_271.1657p_0n_10.1_RB_BiocrustExp
0.0
10.13742243
10.1038/ncomms9289
318
NA
Unk_116.0709p_0n_9.7_RB_BiocrustExp
0.0
9.744256916
10.1038/ncomms9289
319
NA
Unk_86.0608p_0n_10.5_RB_BiocrustExp
0.0
10.5173335
10.1038/ncomms9289
320
NA
Unk_222.0989p_0n_9.7_RB_BiocrustExp
0.0
9.746481581
10.1038/ncomms9289
321
NA
Unk_398.2028p_0n_9.8_RB_BiocrustExp
0.0
9.794289356
10.1038/ncomms9289
322
NA
Unk_257.1855p_0n_11.1_RB_BiocrustExp
0.0
11.08136344
10.1038/ncomms9289
323
NA
Unk_484.2587p_0n_10.3_RB_BiocrustExp
0.0
10.3102615
10.1038/ncomms9289
324
NA
Unk_433.1685p_0n_10.3_RB_BiocrustExp
0.0
10.25032675
10.1038/ncomms9289
325
NA
Unk_298.1133p_0n_10.1_RB_BiocrustExp
0.0
10.14284342
10.1038/ncomms9289
326
C9H18N2O2
C9H18N2O2_187.1452p_0n_10.3_RB_BiocrustExp
0.0
10.31797274
10.1038/ncomms9289
327
C6H7NO2
C6H7NO2_126.0558p_0n_8.9_RB_BiocrustExp
0.0
8.892593345
10.1038/ncomms9289
328
NA
Unk_662.4849p_0n_8.6_RB_BiocrustExp
0.0
8.586749113
10.1038/ncomms9289
329
NA
Unk_290.2663p_0n_8_RB_BiocrustExp
0.0
8.035293439
10.1038/ncomms9289
330
NA
Unk_928.6022p_0n_8_RB_BiocrustExp
0.0
7.990025084
10.1038/ncomms9289
331
NA
Unk_163.1074p_0n_8_RB_BiocrustExp
0.0
8.014897797
10.1038/ncomms9289
332
NA
Unk_288.2928p_0n_9.9_RB_BiocrustExp
0.0
9.885671915
10.1038/ncomms9289
333
NA
Unk_167.0917p_0n_9.4_RB_BiocrustExp
0.0
9.360925982
10.1038/ncomms9289
334
C6H7N5
Methyladenine
0.0
9.084873935
10.1038/ncomms9289
335
NA
Unk_570.3509p_0n_9_RB_BiocrustExp
0.0
9.003781895
10.1038/ncomms9289
336
NA
Unk_522.6061p_0n_8.1_RB_BiocrustExp
0.0
8.091006057
10.1038/ncomms9289
337
NA
Unk_298.1028p_0n_8_RB_BiocrustExp
0.0
7.978698848
10.1038/ncomms9289
338
NA
Unk_298.1294p_0n_7.9_RB_BiocrustExp
0.0
7.946858925
10.1038/ncomms9289
339
C9H17NO
C9H17NO_156.1381p_0n_7.8_RB_BiocrustExp
0.0
7.839540606
10.1038/ncomms9289
340
C8H15O8
C8H15O8_195.1223p_0n_7.8_RB_BiocrustExp
0.0
7.846281424
10.1038/ncomms9289
341
NA
Unk_181.0945p_0n_6.1_RB_BiocrustExp
0.0
6.090096237
10.1038/ncomms9289
342
NA
Unk_181.0244p_0n_7.7_RB_BiocrustExp
0.0
7.718439143
10.1038/ncomms9289
343
NA
Unk_534.3642p_0n_7.9_RB_BiocrustExp
0.0
7.938098048
10.1038/ncomms9289
344
NA
Unk_764.5344p_0n_7.4_RB_BiocrustExp
0.0
7.396281402
10.1038/ncomms9289
345
C12H23NO
C12H23NO_198.1841p_0n_7.2_RB_BiocrustExp
0.0
7.218770773
10.1038/ncomms9289
346
NA
Unk_796.5885p_0n_6.9_RB_BiocrustExp
0.0
6.948228335
10.1038/ncomms9289
347
NA
Unk_766.5446p_0n_7.3_RB_BiocrustExp
0.0
7.338013556
10.1038/ncomms9289
348
NA
Unk_768.5613p_0n_7.3_RB_BiocrustExp
0.0
7.2762389
10.1038/ncomms9289
349
NA
Unk_794.5718p_0n_7.2_RB_BiocrustExp
0.0
7.245813816
10.1038/ncomms9289
350
NA
Unk_504.3179p_0n_5.8_RB_BiocrustExp
0.0
5.832598841
10.1038/ncomms9289
351
NA
Unk_522.5901p_0n_4.9_RB_BiocrustExp
0.0
4.890901439
10.1038/ncomms9289
352
NA
Unk_240.1709p_0n_4.5_RB_BiocrustExp
0.0
4.54779907
10.1038/ncomms9289
353
NA
Unk_930.6262p_0n_4.6_RB_BiocrustExp
0.0
4.630404538
10.1038/ncomms9289
354
NA
Unk_284.2019p_0n_4.6_RB_BiocrustExp
0.0
4.61265486
10.1038/ncomms9289
355
NA
Unk_239.146p_0n_4.7_RB_BiocrustExp
0.0
4.657960306
10.1038/ncomms9289
356
NA
Unk_766.5415p_0n_4.3_RB_BiocrustExp
0.0
4.321726393
10.1038/ncomms9289
357
NA
Unk_768.5573p_0n_4.2_RB_BiocrustExp
0.0
4.245691688
10.1038/ncomms9289
358
NA
Unk_387.171p_0n_4.3_RB_BiocrustExp
0.0
4.25564611
10.1038/ncomms9289
359
NA
Unk_415.2047p_0n_4.2_RB_BiocrustExp
0.0
4.202631802
10.1038/ncomms9289
360
NA
Unk_338.3451p_0n_4.1_RB_BiocrustExp
0.0
4.055523817
10.1038/ncomms9289
361
NA
Unk_871.5782p_0n_4.2_RB_BiocrustExp
0.0
4.163440152
10.1038/ncomms9289
362
NA
Unk_568.2998p_0n_4.2_RB_BiocrustExp
0.0
4.189935418
10.1038/ncomms9289
363
NA
Unk_536.5839p_0n_4_RB_BiocrustExp
0.0
4.038109722
10.1038/ncomms9289
364
NA
Unk_359.3152p_0n_4.1_RB_BiocrustExp
0.0
4.117598136
10.1038/ncomms9289
365
NA
Unk_331.2834p_0n_4.1_RB_BiocrustExp
0.0
4.129397166
10.1038/ncomms9289
366
NA
Unk_393.2919p_0n_4.1_RB_BiocrustExp
0.0
4.056282108
10.1038/ncomms9289
367
NA
Unk_149.0292p_0n_4_RB_BiocrustExp
0.0
3.988808085
10.1038/ncomms9289
368
NA
Unk_285.2229p_0n_4.1_RB_BiocrustExp
0.0
4.089845054
10.1038/ncomms9289
369
NA
Unk_391.2839p_0n_3.9_RB_BiocrustExp
0.0
3.905047549
10.1038/ncomms9289
370
NA
Unk_536.5688p_0n_4.1_RB_BiocrustExp
0.0
4.059619464
10.1038/ncomms9289
371
NA
Unk_508.5461p_0n_4.1_RB_BiocrustExp
0.0
4.058080971
10.1038/ncomms9289
372
NA
Unk_654.3343p_0n_3.9_RB_BiocrustExp
0.0
3.877013967
10.1038/ncomms9289
373
NA
Unk_653.3015p_0n_3.9_RB_BiocrustExp
0.0
3.939389551
10.1038/ncomms9289
374
NA
Unk_466.5358p_0n_8.2_RB_BiocrustExp
0.0
8.185601506
10.1038/ncomms9289
375
NA
Unk_496.3518p_0n_7.9_RB_BiocrustExp
0.0
7.918357692
10.1038/ncomms9289
376
NA
Unk_720.5592p_0n_7.3_RB_BiocrustExp
0.0
7.301733806
10.1038/ncomms9289
377
NA
Unk_746.5825p_0n_7.2_RB_BiocrustExp
0.0
7.20706051
10.1038/ncomms9289
378
NA
Unk_732.5578p_0n_7.3_RB_BiocrustExp
0.0
7.319452981
10.1038/ncomms9289
379
NA
Unk_123.0545p_0n_7.6_RB_BiocrustExp
0.0
7.579064824
10.1038/ncomms9289
380
NA
Unk_388.2337p_0n_4.6_RB_BiocrustExp
0.0
4.638154354
10.1038/ncomms9289
381
NA
Unk_298.1679p_0n_4.6_RB_BiocrustExp
0.0
4.616752913
10.1038/ncomms9289
382
NA
Unk_910.6462p_0n_4.7_RB_BiocrustExp
0.0
4.700096099
10.1038/ncomms9289
383
NA
Unk_732.566p_0n_4.4_RB_BiocrustExp
0.0
4.385965057
10.1038/ncomms9289
384
NA
Unk_228.1772p_0n_4.3_RB_BiocrustExp
0.0
4.313263685
10.1038/ncomms9289
385
NA
Unk_352.1933p_0n_4.2_RB_BiocrustExp
0.0
4.210903469
10.1038/ncomms9289
386
NA
Unk_746.5806p_0n_4.4_RB_BiocrustExp
0.0
4.385053408
10.1038/ncomms9289
387
NA
Unk_1044.137p_0n_4.2_RB_BiocrustExp
0.0
4.210005106
10.1038/ncomms9289
388
NA
Unk_282.2799p_0n_4.1_RB_BiocrustExp
0.0
4.112959296
10.1038/ncomms9289
389
NA
Unk_680.4921p_0n_3.9_RB_BiocrustExp
0.0
3.900634116
10.1038/ncomms9289
390
NA
Unk_640.3337p_0n_4.2_RB_BiocrustExp
0.0
4.178985507
10.1038/ncomms9289
391
NA
Unk_584.5314p_0n_3.9_RB_BiocrustExp
0.0
3.90496676
10.1038/ncomms9289
392
NA
Unk_570.5125p_0n_3.9_RB_BiocrustExp
0.0
3.945757151
10.1038/ncomms9289
393
NA
Unk_628.5539p_0n_3.9_RB_BiocrustExp
0.0
3.884260883
10.1038/ncomms9289
394
NA
Unk_586.5381p_0n_3.9_RB_BiocrustExp
0.0
3.90833559
10.1038/ncomms9289
395
NA
Unk_598.3841p_0n_8.1_RB_BiocrustExp
0.0
8.11096222
10.1038/ncomms9289
396
NA
Unk_998.6592p_0n_8.2_RB_BiocrustExp
0.0
8.237284035
10.1038/ncomms9289
397
NA
Unk_306.2247p_0n_8.1_RB_BiocrustExp
0.0
8.064054254
10.1038/ncomms9289
398
NA
Unk_826.5135p_0n_8.1_RB_BiocrustExp
0.0
8.083934611
10.1038/ncomms9289
399
NA
Unk_994.5942p_0n_8.4_RB_BiocrustExp
0.0
8.433088281
10.1038/ncomms9289
400
NA
Unk_800.5295p_0n_8_RB_BiocrustExp
0.0
8.037081292
10.1038/ncomms9289
401
NA
Unk_978.5983p_0n_8.6_RB_BiocrustExp
0.0
8.552400161
10.1038/ncomms9289
402
NA
Unk_976.587p_0n_8.5_RB_BiocrustExp
0.0
8.47443115
10.1038/ncomms9289
403
NA
Unk_962.602p_0n_8.3_RB_BiocrustExp
0.0
8.270505867
10.1038/ncomms9289
404
NA
Unk_574.3239p_0n_7.9_RB_BiocrustExp
0.0
7.901843381
10.1038/ncomms9289
405
NA
Unk_692.4286p_0n_8_RB_BiocrustExp
0.0
7.971565759
10.1038/ncomms9289
406
NA
Unk_536.6112p_0n_8.2_RB_BiocrustExp
0.0
8.179263531
10.1038/ncomms9289
407
NA
Unk_798.5406p_0n_7.9_RB_BiocrustExp
0.0
7.907276195
10.1038/ncomms9289
408
NA
Unk_784.5591p_0n_7.9_RB_BiocrustExp
0.0
7.877157652
10.1038/ncomms9289
409
NA
Unk_296.0829p_0n_7.8_RB_BiocrustExp
0.0
7.783001145
10.1038/ncomms9289
410
NA
Unk_266.1233p_0n_7.6_RB_BiocrustExp
0.0
7.622360279
10.1038/ncomms9289
411
C12H17N5O4
Dimethyladenosine
0.0
7.63216045
10.1038/ncomms9289
412
NA
Unk_500.3954p_0n_6.8_RB_BiocrustExp
0.0
6.766136269
10.1038/ncomms9289
413
NA
Unk_403.177p_0n_6.6_RB_BiocrustExp
0.0
6.587937552
10.1038/ncomms9289
414
NA
Unk_387.1806p_0n_6.4_RB_BiocrustExp
0.0
6.395319277
10.1038/ncomms9289
415
NA
Unk_404.2065p_0n_6.4_RB_BiocrustExp
0.0
6.39532554
10.1038/ncomms9289
416
NA
Unk_160.1138p_0n_6.7_RB_BiocrustExp
0.0
6.660725855
10.1038/ncomms9289
417
C7H12N2O2
C7H12N2O2_157.0971p_0n_7_RB_BiocrustExp
0.0
7.030779582
10.1038/ncomms9289
418
NA
Unk_300.1979p_0n_6_RB_BiocrustExp
0.0
5.951274044
10.1038/ncomms9289
419
NA
Unk_244.1911p_0n_6_RB_BiocrustExp
0.0
6.031633397
10.1038/ncomms9289
420
NA
Unk_217.1045p_0n_6.3_RB_BiocrustExp
0.0
6.278596144
10.1038/ncomms9289
421
NA
Unk_244.1893p_0n_6_RB_BiocrustExp
0.0
6.031633397
10.1038/ncomms9289
422
NA
Unk_138.0909p_0n_7.9_RB_BiocrustExp
0.0
7.906214175
10.1038/ncomms9289
423
NA
Unk_316.2128p_0n_6.1_RB_BiocrustExp
0.0
6.107008144
10.1038/ncomms9289
424
NA
Unk_260.186p_0n_5.2_RB_BiocrustExp
0.0
5.156119011
10.1038/ncomms9289
425
NA
Unk_824.7706p_0n_5.3_RB_BiocrustExp
0.0
5.347794915
10.1038/ncomms9289
426
NA
Unk_256.1155p_0n_6_RB_BiocrustExp
0.0
5.98925102
10.1038/ncomms9289
427
NA
Unk_198.1135p_0n_7_RB_BiocrustExp
0.0
7.003673934
10.1038/ncomms9289
428
NA
Unk_179.0794p_0n_7.8_RB_BiocrustExp
0.0
7.830118363
10.1038/ncomms9289
429
C7H14N2O2
C7H14N2O2_159.1121p_0n_6.5_RB_BiocrustExp
0.0
6.46386228
10.1038/ncomms9289
430
NA
Unk_656.5807p_0n_4_RB_BiocrustExp
0.0
3.985909868
10.1038/ncomms9289
431
NA
Unk_295.2229p_0n_4.4_RB_BiocrustExp
0.0
4.380565553
10.1038/ncomms9289
432
NA
Unk_293.2106p_0n_4.4_RB_BiocrustExp
0.0
4.356184797
10.1038/ncomms9289
433
NA
Unk_281.1949p_0n_4.2_RB_BiocrustExp
0.0
4.171398596
10.1038/ncomms9289
434
NA
Unk_361.2922p_0n_4.2_RB_BiocrustExp
0.0
4.153978967
10.1038/ncomms9289
435
NA
Unk_836.6093p_0n_4.5_RB_BiocrustExp
0.0
4.502455847
10.1038/ncomms9289
436
NA
Unk_195.0719p_0n_7.6_RB_BiocrustExp
0.0
7.553840069
10.1038/ncomms9289
437
NA
Unk_514.2451p_0n_4.6_RB_BiocrustExp
0.0
4.580140885
10.1038/ncomms9289
438
NA
Unk_692.4242p_0n_4.6_RB_BiocrustExp
0.0
4.614650477
10.1038/ncomms9289
439
NA
Unk_664.4641p_0n_4.5_RB_BiocrustExp
0.0
4.511918414
10.1038/ncomms9289
440
NA
Unk_197.1192p_0n_4.4_RB_BiocrustExp
0.0
4.367661916
10.1038/ncomms9289
441
NA
Unk_188.1754p_0n_4.7_RB_BiocrustExp
0.0
4.659071708
10.1038/ncomms9289
442
NA
Unk_199.1315p_0n_4.4_RB_BiocrustExp
0.0
4.420517068
10.1038/ncomms9289
443
NA
Unk_207.1583p_0n_4.5_RB_BiocrustExp
0.0
4.464666873
10.1038/ncomms9289
444
NA
Unk_339.2504p_0n_4.7_RB_BiocrustExp
0.0
4.715555897
10.1038/ncomms9289
445
NA
Unk_804.5792p_0n_4.5_RB_BiocrustExp
0.0
4.487116194
10.1038/ncomms9289
446
NA
Unk_114.0454p_0n_4.7_RB_BiocrustExp
0.0
4.719225951
10.1038/ncomms9289
447
NA
Unk_419.1691p_0n_4.4_RB_BiocrustExp
0.0
4.423382984
10.1038/ncomms9289
448
NA
Unk_802.5722p_0n_4.5_RB_BiocrustExp
0.0
4.467599202
10.1038/ncomms9289
449
NA
Unk_896.6298p_0n_4.7_RB_BiocrustExp
0.0
4.684417934
10.1038/ncomms9289
450
NA
Unk_800.5545p_0n_4.5_RB_BiocrustExp
0.0
4.493712566
10.1038/ncomms9289
451
NA
Unk_816.55p_0n_4.5_RB_BiocrustExp
0.0
4.458909042
10.1038/ncomms9289
452
NA
Unk_804.5803p_0n_4.5_RB_BiocrustExp
0.0
4.487116194
10.1038/ncomms9289
453
NA
Unk_362.2814p_0n_4.4_RB_BiocrustExp
0.0
4.370199983
10.1038/ncomms9289
454
NA
Unk_784.553p_0n_4.4_RB_BiocrustExp
0.0
4.389154984
10.1038/ncomms9289
455
NA
Unk_187.1102p_0n_4.3_RB_BiocrustExp
0.0
4.314958573
10.1038/ncomms9289
456
NA
Unk_720.5623p_0n_4.5_RB_BiocrustExp
0.0
4.450580545
10.1038/ncomms9289
457
NA
Unk_309.2374p_0n_4_RB_BiocrustExp
0.0
4.04964103
10.1038/ncomms9289
458
NA
Unk_724.5112p_0n_4.2_RB_BiocrustExp
0.0
4.239620199
10.1038/ncomms9289
459
NA
Unk_796.539p_0n_4.4_RB_BiocrustExp
0.0
4.382675806
10.1038/ncomms9289
460
NA
Unk_764.5402p_0n_4.3_RB_BiocrustExp
0.0
4.296694763
10.1038/ncomms9289
461
NA
Unk_357.147p_0n_4.2_RB_BiocrustExp
0.0
4.191662628
10.1038/ncomms9289
462
NA
Unk_325.2379p_0n_4.2_RB_BiocrustExp
0.0
4.242220533
10.1038/ncomms9289
463
NA
Unk_728.4241p_0n_4.5_RB_BiocrustExp
0.0
4.473433539
10.1038/ncomms9289
464
C21H42O4
C21H42O4_376.34p_0n_4.2_RB_BiocrustExp
0.0
4.204971561
10.1038/ncomms9289
465
NA
Unk_344.2797p_0n_4_RB_BiocrustExp
0.0
4.029126628
10.1038/ncomms9289
466
NA
Unk_374.2877p_0n_4.1_RB_BiocrustExp
0.0
4.142401131
10.1038/ncomms9289
467
NA
Unk_537.5349p_0n_4.3_RB_BiocrustExp
0.0
4.309153925
10.1038/ncomms9289
468
NA
Unk_283.228p_0n_4_RB_BiocrustExp
0.0
4.012587649
10.1038/ncomms9289
469
NA
Unk_186.0767p_0n_4.3_RB_BiocrustExp
0.0
4.31031016
10.1038/ncomms9289
470
NA
Unk_834.5371p_0n_3.9_RB_BiocrustExp
0.0
3.884898573
10.1038/ncomms9289
471
C3H7NO2
alanine
89.0471
19.6
10.1039/c1mb05196b
472
C10H14N5O7P
AMP
347.0639
20.71
10.1039/c1mb05196b
473
C5H11NO2
betaine
117.0797
17.35
10.1039/c1mb05196b
474
C9H13N3O5
cytidine
243.0855205
14.74
10.1039/c1mb05196b
475
C14H18N2O5
gamma-Glu-Phe
294.1228
18.74
10.1039/c1mb05196b
476
C6H12O6
glucose
180.0633
19.99
10.1039/c1mb05196b
477
C9H16O9
glucosylglycerate
268.0806
19.44
10.1039/c1mb05196b
478
C9H18O8
glucosylglycerol
254.101
16.71
10.1039/c1mb05196b
479
C11H14N2O3
Gly-Phe
222.1008
17.08
10.1039/c1mb05196b
480
C10H13N5O5
guanosine
283.0914
15.76
10.1039/c1mb05196b
481
C11H18N4O3
His-Val
254.1369
19.36
10.1039/c1mb05196b
482
NA
Unk_866.5347p_0n_4.4_RB_BiocrustExp
0.0
4.384986885
10.1038/ncomms9289
483
C11H15N5O4
methyladenosine
281.1121
7.38
10.1039/c1mb05196b
484
C11H15N5O3S
methylthioadenosine
297.0898
6.78
10.1039/c1mb05196b
485
C10H14N2O6
methyluridine
258.0848
8.02
10.1039/c1mb05196b
486
C6H6N2O
nicotinamide
122.048
6.26
10.1039/c1mb05196b
487
C8H11N
phenylethylamine
121.0891494
12.07
10.1039/c1mb05196b
488
C8H11NO3
pyridoxine
169.0739
7.04
10.1039/c1mb05196b
489
C12H16N4OS
thiamine
264.1036
14.96
10.1039/c1mb05196b
490
C7H14N2O4
Thr-Ala
190.0955
19.56
10.1039/c1mb05196b
491
C4H9NO3
threonine
119.0574
19.78
10.1039/c1mb05196b
492
C7H14N2O5
Thr-Ser
206.0881
19.38
10.1039/c1mb05196b
493
C9H12N2O6
uridine
244.0689
9.95
10.1039/c1mb05196b
494
C10H18N2O5
Val-Glu
246.1204
20.06
10.1039/c1mb05196b
495
NA
Unk_812.558p_0n_4_RB_BiocrustExp
0.0
3.98977736
10.1038/ncomms9289
496
NA
Unk_850.5403p_0n_4_RB_BiocrustExp
0.0
4.034971738
10.1038/ncomms9289
497
NA
Unk_810.5453p_0n_4_RB_BiocrustExp
0.0
3.991227698
10.1038/ncomms9289
498
NA
Unk_684.2053p_0n_3.9_RB_BiocrustExp
0.0
3.902212691
10.1038/ncomms9289
499
NA
Unk_610.1869p_0n_3.9_RB_BiocrustExp
0.0
3.8975668
10.1038/ncomms9289
500
NA
Unk_201.0189p_0n_8.5_RB_BiocrustExp
0.0
8.501449413
10.1038/ncomms9289
501
C11H17N3O5
Dimethylcytidine
0.0
9.215550642
10.1038/ncomms9289
502
NA
Kynurenic acid
0.0
8.967849531
10.1038/ncomms9289
503
NA
Unk_360.171p_0n_29.1_RB_BiocrustExp
0.0
29.09410576
10.1038/ncomms9289
504
NA
Unk_304.2999p_0n_10.3_RB_BiocrustExp
0.0
10.2887573
10.1038/ncomms9289
505
NA
Unk_332.331p_0n_10.1_RB_BiocrustExp
0.0
10.13805433
10.1038/ncomms9289
506
C4H11NO3
C4H11NO3_122.0807p_0n_29.7_RB_BiocrustExp
0.0
29.65598318
10.1038/ncomms9289
507
C6H13N3O2
C6H13N3O2_160.1076p_0n_10_RB_BiocrustExp
0.0
10.0032698
10.1038/ncomms9289
508
NA
Unk_289.1337p_0n_27.7_RB_BiocrustExp
0.0
27.65944483
10.1038/ncomms9289
509
NA
Unk_303.1407p_0n_26.6_RB_BiocrustExp
0.0
26.64739232
10.1038/ncomms9289
510
NA
Asp-Arg
0.0
24.62143636
10.1038/ncomms9289
511
NA
Gln-Gln-Gln
0.0
21.98245464
10.1038/ncomms9289
512
NA
(Glu-Met)
0.0
19.11717752
10.1038/ncomms9289
513
C10H12N4O5
inosine
268.0807695
7.49
WoM manuscript
514
C11H13NO3
N-acetyl-phenylalanine
207.0895433
4.55
WoM manuscript
515
C10H14N2O5
thymidine
242.0902716
3.1
WoM manuscript
516
C5H6N2O2
thymine
126.0429274
3.07
WoM manuscript
517
C4H9NO2
4-aminobutanoate
103.0633285
12.5
WoM manuscript
518
C4H7N3O
creatinine
113.0589119
5.29
WoM manuscript
519
C5H11NO2
5-aminopentanoate
117.0789786
12.72
WoM manuscript
520
C4H9NO3
threonine isomers (coeluters: threonine, homoserine, allothreonine)
119.0582432
11.96
WoM manuscript
521
C6H5NO2
nicotinate
123.0320284
6.97
WoM manuscript
522
C2H7NO3S
taurine
125.0146641
12.18
WoM manuscript
523
C5H6N2O2
4-imidazoleacetic acid
126.0429274
11.13
WoM manuscript
524
C5H7NO3
5-oxo-proline
129.0425931
9.92
WoM manuscript
525
C6H14N2O
N-acetylputrescine
130.1106131
9.9
WoM manuscript
526
C5H9NO3
trans-4-hydroxyproline
131.0582432
11.49
WoM manuscript
527
C5H9NO3
cis-4-hydroxyproline
131.0582432
12.0
WoM manuscript
528
C6H13NO2
leucine/norleucine
131.0946287
7.96
WoM manuscript
529
C5H12N2O2
ornithine
132.0898776
23.14
WoM manuscript
530
C7H7NO2
trigonelline
137.0476785
7.95
WoM manuscript
531
C8H11NO
tyramine
137.084064
8.9
WoM manuscript
532
C6H11NO3
4-acetamidobutanoate
145.0738932
7.91
WoM manuscript
533
C5H11N3O2
4-guanidinobutanoate
145.0851266
12.06
WoM manuscript
534
C7H15NO2
deoxycarnitine
145.1102787
10.37
WoM manuscript
535
C5H9NO4
glutamic acid
147.0531578
14.13
WoM manuscript
536
C6H11NO4
alpha-aminoadipate
161.0688078
14.52
WoM manuscript
537
C7H15NO3
carnitine
161.1051933
10.18
WoM manuscript
538
C6H14N2O3
5-hydroxylysine
162.1004423
23.91
WoM manuscript
539
C6H10N2O4
N-alpha-acetyl-asparagine
174.0640568
11.05
WoM manuscript
540
C6H9NO5
N-acetyl-aspartic acid
175.0480724
14.7
WoM manuscript
541
C10H13N5O3
5'-deoxyadenosine
251.1018393
3.43
WoM manuscript
542
C10H13N5O3
2'-deoxyadenosine
251.1018393
4.09
WoM manuscript
543
C8H16N2O3
N-alpha-acetyl-lysine
188.1160924
12.6
WoM manuscript
544
C9H20N2O2
trimethyllysine
188.1524779
19.14
WoM manuscript
545
C9H17NO5
pantothenic acid
219.1106726
8.18
WoM manuscript
546
C9H14N4O3
carnosine
226.1065903
14.5
WoM manuscript
547
C12H10N4O2
lumichrome
242.0803756
2.99
WoM manuscript
548
C10H16N2O3S
biotin
244.0881634
7.92
WoM manuscript
549
C13H14N2O3
N-acetyl-tryptophan
246.1004423
6.69
WoM manuscript
550
C8H20NO6P
sn-glycero-3-phosphocholine
257.102824
12.08
WoM manuscript
551
C10H12N4O6
xanthosine
284.0756841
11.64
WoM manuscript
552
C11H15N5O3S
5'-methylthioadenosine
297.0895604
3.15
WoM manuscript
553
C9H12N3O7P
cytidine 2',3'-cyclic monophosphate
305.0412864
12.18
WoM manuscript
554
C10H12N5O6P
3',5'-cyclic AMP
329.0525198
9.2
WoM manuscript
555
C10H12N5O7P
guanosine 3',5'-cyclic monophosphate
345.0474344
12.51
WoM manuscript
556
C17H20N4O6
riboflavin
376.1382844
5.57
WoM manuscript
557
C4H8O2
butanoate
88.0524295
14.55
WoM manuscript
558
C3H7NO2
sarcosine
89.04767847
10.98
WoM manuscript
559
C3H6O3
lactate
90.03169405
8.3
WoM manuscript
560
C4H8O3
hydroxybutyric acids (coeluting isomers: 2-hydroxybutyric acid, alpha-hydroxyisobutyric acid)
104.0473441
6.72
WoM manuscript
561
C3H6O4
glycerate
106.0266087
10.99
WoM manuscript
562
C4H4O4
maleic acid
116.0109586
3.74
WoM manuscript
563
C5H8O3
methyl acetoacetate
116.0473441
14.32
WoM manuscript
564
C5H6O4
2-methylmaleate
130.0266087
3.32
WoM manuscript
565
C5H9NO3
N-acetyl-alanine
131.0582432
8.08
WoM manuscript
566
C7H7NO2
anthranilate
137.0476785
4.94
WoM manuscript
567
C7H6O3
salicylate
138.0316941
2.93
WoM manuscript
568
C7H6O3
3-hydroxybenzoate
138.0316941
8.2
WoM manuscript
569
C6H5NO3
6-hydroxynicotinate
139.026943
10.54
WoM manuscript
570
C5H6O5
alpha-ketoglutaric acid
146.0215233
15.62
WoM manuscript
571
C5H9NO4
N-acetyl-serine
147.0531578
10.27
WoM manuscript
572
C5H10O3S
2-hydroxy-4-(methylthio)butyric acid
150.0350652
4.91
WoM manuscript
573
C8H8O3
4-hydroxyphenylacetate
152.0473441
8.17
WoM manuscript
574
C5H12O5
coeluting isomers (arabitol, ribitol, xilitol)
152.0684735
8.55
WoM manuscript
575
C7H6O4
2,3-dihydroxybenzoate
154.0266087
6.46
WoM manuscript
576
C5H4N2O4
orotate
156.0171066
9.47
WoM manuscript
577
C6H10O5
3-hydroxy-3-methylglutarate
162.0528234
13.52
WoM manuscript
578
C5H4N4O3
urate
168.02834
12.07
WoM manuscript
579
C8H8O4
homogentisate
168.0422587
8.06
WoM manuscript
580
C8H15NO3
N-acetyl-leucine
173.1051933
4.79
WoM manuscript
581
C6H6O6
trans-aconitate
174.0164379
16.39
WoM manuscript
582
C6H11NO3S
formyl-methionyl peptide
177.0459642
6.32
WoM manuscript
583
C10H7NO3
4-hydroxy-2-quinolinecarboxylic acid
189.0425931
6.21
WoM manuscript
584
C7H11NO5
N-acetyl-glutamic acid
189.0637225
14.65
WoM manuscript
585
C12H22O11
trehalose
342.1162115
13.61
WoM manuscript
586
C14H28O2
myristic acid
228.2089301
1.63
WoM manuscript
587
C6H12O6
myo-inositol
180.0633881
12.53
WoM manuscript
588
C9H14N3O8P
cytidine 5?-monophosphate
323.051851
15.26
WoM manuscript
589
C9H13N2O9P
uridine-5'-monophosphate
324.0358666
14.21
WoM manuscript
590
NA
2-aminoisobutyric acid
0.0
0.0
NA
0
NA
NA
0
591
NA
2'-deoxyguanosine
0.0
0.0
NA
0
NA
NA
0
592
NA
3-dehydroshikimate
0.0
0.0
NA
0
NA
NA
0
593
NA
4-methoxybenzoate
0.0
0.0
NA
0
NA
NA
0
594
NA
5-aminovaleric acid
0.0
0.0
NA
0
NA
NA
0
595
NA
abscisic acid
0.0
0.0
NA
0
NA
NA
0
596
NA
adipic acid
0.0
0.0
NA
0
NA
NA
0
597
NA
betonicine
0.0
0.0
NA
0
NA
NA
0
598
NA
caffeic acid
0.0
0.0
NA
0
NA
NA
0
599
NA
choline
0.0
0.0
NA
0
NA
NA
0
600
NA
choline-o-sulfate
0.0
0.0
NA
0
NA
NA
0
601
NA
cinnamic acid
0.0
0.0
NA
0
NA
NA
0
602
NA
cis-aconitic acid
0.0
0.0
NA
0
NA
NA
0
603
NA
D-mannitol
0.0
0.0
NA
0
NA
NA
0
604
NA
deoxy_sugar(rhamnose)
0.0
0.0
NA
0
NA
NA
0
605
NA
dihexose(maltose)
0.0
0.0
NA
0
NA
NA
0
606
NA
dihexose@13.9
0.0
0.0
NA
0
NA
NA
0
607
NA
ferulic acid
0.0
0.0
NA
0
NA
NA
0
608
NA
hexose(fructose)
0.0
0.0
NA
0
NA
NA
0
609
NA
fumaric acid
0.0
0.0
NA
0
NA
NA
0
610
NA
gamma-amino-n-butyric acid
0.0
0.0
NA
0
NA
NA
0
611
NA
glutaric acid
0.0
0.0
NA
0
NA
NA
0
612
NA
glycolic acid
0.0
0.0
NA
0
NA
NA
0
613
NA
hexose(glucose)
0.0
0.0
NA
0
NA
NA
0
614
NA
hexose@11
0.0
0.0
NA
0
NA
NA
0
615
NA
hexose@11.2
0.0
0.0
NA
0
NA
NA
0
616
NA
hexose@11.9
0.0
0.0
NA
0
NA
NA
0
617
NA
hexose@12.4
0.0
0.0
NA
0
NA
NA
0
618
NA
hexose@12.8
0.0
0.0
NA
0
NA
NA
0
619
NA
indole-3-acetate
0.0
0.0
NA
0
NA
NA
0
620
NA
jasmonic acid
0.0
0.0
NA
0
NA
NA
0
621
NA
alpha-alanine
0.0
0.0
NA
0
NA
NA
0
622
NA
L-arginine
0.0
0.0
NA
0
NA
NA
0
623
NA
L-asparagine
0.0
0.0
NA
0
NA
NA
0
624
NA
L-aspartate
0.0
0.0
NA
0
NA
NA
0
625
NA
L-carnitine
0.0
0.0
NA
0
NA
NA
0
626
NA
L-citrulline
0.0
0.0
NA
0
NA
NA
0
627
NA
L-glutamate
0.0
0.0
NA
0
NA
NA
0
628
NA
L-homoserine
0.0
0.0
NA
0
NA
NA
0
629
NA
L-hydroxyproline
0.0
0.0
NA
0
NA
NA
0
630
NA
L-isoleucine
0.0
0.0
NA
0
NA
NA
0
631
NA
L-leucine
0.0
0.0
NA
0
NA
NA
0
632
NA
L-lysine
0.0
0.0
NA
0
NA
NA
0
633
NA
L-methionine
0.0
0.0
NA
0
NA
NA
0
634
NA
L-ornithine
0.0
0.0
NA
0
NA
NA
0
635
NA
L-phenylalanine
0.0
0.0
NA
0
NA
NA
0
636
NA
L-proline
0.0
0.0
NA
0
NA
NA
0
637
NA
L-pyroglutamic acid
0.0
0.0
NA
0
NA
NA
0
638
NA
L-quinic acid
0.0
0.0
NA
0
NA
NA
0
639
NA
L-serine
0.0
0.0
NA
0
NA
NA
0
640
NA
L-threonic acid
0.0
0.0
NA
0
NA
NA
0
641
NA
L-threonine
0.0
0.0
NA
0
NA
NA
0
642
NA
L-tryptophan
0.0
0.0
NA
0
NA
NA
0
643
NA
L-tyrosine
0.0
0.0
NA
0
NA
NA
0
644
NA
L-valine
0.0
0.0
NA
0
NA
NA
0
645
NA
lactic acid
0.0
0.0
NA
0
NA
NA
0
646
NA
linoleic acid
0.0
0.0
NA
0
NA
NA
0
647
NA
malonic acid
0.0
0.0
NA
0
NA
NA
0
648
NA
N-acetyl-D-glucosamine
0.0
0.0
NA
0
NA
NA
0
649
NA
nicotinic acid
0.0
0.0
NA
0
NA
NA
0
650
NA
oleic acid
0.0
0.0
NA
0
NA
NA
0
651
NA
palmitic acid
0.0
0.0
NA
0
NA
NA
0
652
NA
palmitoleic acid
0.0
0.0
NA
0
NA
NA
0
653
NA
pentose(arabinose)
0.0
0.0
NA
0
NA
NA
0
654
NA
pentose(xylose)
0.0
0.0
NA
0
NA
NA
0
655
NA
pentose@10
0.0
0.0
NA
0
NA
NA
0
656
NA
pentose@11.2
0.0
0.0
NA
0
NA
NA
0
657
NA
pentose@11.6
0.0
0.0
NA
0
NA
NA
0
658
NA
pentose@12
0.0
0.0
NA
0
NA
NA
0
659
NA
raffinose
0.0
0.0
NA
0
NA
NA
0
660
NA
pentose(D-ribose)
0.0
0.0
NA
0
NA
NA
0
661
NA
salicylic acid
0.0
0.0
NA
0
NA
NA
0
662
NA
shikimic acid
0.0
0.0
NA
0
NA
NA
0
663
NA
stachydrine
0.0
0.0
NA
0
NA
NA
0
664
NA
steaic acid
0.0
0.0
NA
0
NA
NA
0
665
NA
succinic acid
0.0
0.0
NA
0
NA
NA
0
666
NA
dihexose(sucrose)
0.0
0.0
NA
0
NA
NA
0
667
NA
sugar_alcohol_C6H14O6@10.1
0.0
0.0
NA
0
NA
NA
0
668
NA
sugar_alcohol(inositol)
0.0
0.0
NA
0
NA
NA
0
669
NA
trihexose@13.1
0.0
0.0
NA
0
NA
NA
0
670
NA
vanillic acid
0.0
0.0
NA
0
NA
NA
0
671
NA
vanillin
0.0
0.0
NA
0
NA
NA
0