Berkeley Lab Metabolomics
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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