US 11,230,728 B2Granted

Differentiation of lyme disease and southern tick-associated rash illness

AssigneesColorado State University Research Foundation, The United States of America, as represented by the Secretary, Department of Health and Human Services

InventorsJohn T. Belisle, Claudia R. Molins, Gary P. Wormser

Life of this patent

Estimating the term…

Abstract

The present disclosure provides a biosignature that distinguishes Lyme disease, including early Lyme disease, from STARI. The present disclosure also provides methods for detecting Lyme disease and STARI, as well as methods for treating subjects diagnosed with Lyme disease or STARI.

Claims2

Dependent claims

A method for treating a subject with Lyme disease, the method comprising:

(a) obtaining a disease score from a mass spectrometry based test;
(b) diagnosing the subject with Lyme disease based on the disease score;
and
(c) administering a treatment to the subject diagnosed with Lyme disease based on the disease score, wherein the treatment is a pharmacological treatment for Lyme disease selected from an antibiotic, an antibacterial agent, an immune modulator, an anti-inflammatory agent, or a combination thereof;
wherein the mass spectrometry based test comprises:
(i) deproteinizing a blood sample from a subject to produce a metabolite extract;
(ii) performing liquid chromatography coupled to mass spectrometry on a sample of the metabolite extract;
(iii) providing abundance values for each molecular feature in Table A, Table C, or Table D:
TABLE A
m/z
Retention
MF
(positive
Time (see
#
Name
ion)
Mass
examples)
1
CSU/CDC-001
166.0852
165.078
1.86
2
CSU/CDC-012
270.3156
269.3076
18.02
3
CSU/CDC-013
284.3314
283.3236
18.13
4
CSU/CDC-014
300.6407
599.268
18.27
5
CSU/CDC-019
300.2892
299.2821
19.66
6
CSU/CDC-039
734.5079
1449.9753
17.81
7
CSU/CDC-062
370.1837
369.1757
19.7
8
CSU/CDC-066
811.1942
810.1869
12.07
9
CSU/CDC-067
947.7976
946.7936
14.55
10
CSU/CDC-072
410.2033
409.196
17.18
11
CSU/CDC-075
1487.0005
1485.9987
18.17
12
CSU/CDC-086
137.0463
136.0378
1.37
13
CSU/CDC-107
811.7965
810.7882
12.07
14
CSU/CDC-132
616.1776
615.1699
15.43
15
CSU/CDC-152
713.4492
712.4391
19.35
16
CSU/CDC-155
502.3376
484.3039
19.87
17
CSU/CDC-158
415.3045
414.2978
20.19
18
CSU/CDC-164
366.3729
365.3655
22.79
19
CSU/CDC-166
333.1446
332.1373
12.89
20
CSU/CDC-205
241.1069
240.0996
14.7
21
CSU/CDC-211
464.1916
463.1849
13.05
22
CSU/CDC-212
1249.2045
1248.1993
15.31
23
CSU/CDC-213
1248.9178
1247.9141
15.3
24
CSU/CDC-219
158.1539
157.1466
15.36
25
CSU/CDC-227
529.3381
528.3296
16.89
26
CSU/CDC-229
282.2776
264.2456
20.56
27
CSU/CDC-235
190.1260
189.1187
14.12
28
CSU/CDC-238
382.3675
381.3603
20.23
29
CSU/CDC-244
477.2968
476.2898
22.79
30
CSU/CDC-248
459.3968
458.3904
19.08
31
CSU/CDC-253
342.2635
341.2565
15.62
32
CSU/CDC-254
529.3827
1022.6938
17.86
33
CSU/CDC-258
459.2502
458.2429
19.02
34
CSU/CDC-002
239.0919
238.0844
11.66
35
CSU/CDC-028
389.2174
388.2094
15.47
36
CSU/CDC-182
285.2065
284.1991
16.02
37
CSU/CDC-204
279.1693
278.1629
11.05
38
CSU/CDC-247
714.6967
1427.3824
11.76
Predicted
Chemical
Structure
Compound
(based on
Metabolite
MF
Predicted
accurate
Class or
#
Name
Formula
mass)
Pathway
1
CSU/CDC-001
C9H11NO2
Phenyl-
Phenyl
alanine
alanine
metabolism
2
CSU/CDC-012
C18H39N
—
—
3
CSU/CDC-013
C19 H41N
—
—
4
CSU/CDC-014
C33H37N5O6
Asp Phe
Peptide
Arg Tyr
(SEQ ID
NO:
1)
5
CSU/CDC-019
C18H37NO2
Palmitoyl
N-acyl eth-
ethanola-
anolamine
mide
metabolism
6
CSU/CDC-039
—
—
—
7
CSU/CDC-062
C19H23N5O3
—
—
8
CSU/CDC-066
C42H30N6O12
—
—
9
CSU/CDC-067
C62H106O6
TAG
Triacyl-
(59:7)
glycerol
metabolism
10
CSU/CDC-072
—
—
—
11
CSU/CDC-075
—
—
—
12
CSU/CDC-086
C4H8O5
Threonate
Sugar
metabolite
13
CSU/CDC-107
—
—
—
14
CSU/CDC-132
—
—
—
15
CSU/CDC-152
C38H65O10P
PG(32:5)
Glycero-
phospho-
lipid
metabolism
16
CSU/CDC-155
C27H40N4O4
Gln Leu
Peptide
Pro Lys
(SEQ ID
NO:
2)
17
CSU/CDC-158
—
—
—
18
CSU/CDC-164
—
—
—
19
CSU/CDC-166
C12H20N4O7
Glu Gln
Peptide
Gly
20
CSU/CDC-205
C12H16O5
3-Car-
Fatty acid
boxy-4-
methyl-5-
metabolism
propyl-2-
furanpro-
panoic
acid
(CMPF)
21
CSU/CDC-211
C16H29N7O7S
Arg Asp
Peptide
Cys Ala
(SEQ ID
NO:
3)
22
CSU/CDC-212
—
—
—
23
CSU/CDC-213
—
—
—
24
CSU/CDC-219
—
—
—
25
CSU/CDC-227
C24H44N6O7
Gln Val
Peptide
Leu Leu
Gly
(SEQ ID
NO:
4)
26
CSU/CDC-229
C18H32O
—
—
27
CSU/CDC-235
C9H19NOS
8-Methyl-
2-oxocar-
thiooctanal
boxylic
doxime
acid
metabolism
28
CSU/CDC-238
C24H47NO2
Erucicoyl
N-acyl
ethanol-
ethanol-
amide
amine
metabolism
29
CSU/CDC-244
C31 H40O4
Lys Lys
Peptide
Thr Thr
(SEQ ID
NO:
5)
30
CSU/CDC-248
—
—
—
31
CSU/CDC-253
C19H35NO4
—
—
32
CSU/CDC-254
—
—
—
33
CSU/CDC-258
C23H39O7P
Lyso
Glycero-
PA(20:4)
hospholipid
metabolism
34
CSU/CDC-002
C12H14O5
Trans-
Phenyl-
2,3,4-tri-
propanoid
methoxy-
and
cinnamate
polyketide
metabolism
35
CSU/CDC-028
C19H32O8
Methyl 10,
Fatty acid
12,13,15-
metabolism
bisepidi-
oxy-16-
hydro-
peroxy-
8E-octade-
cenoate
36
CSU/CDC-182
C16H28O4
—
—
37
CSU/CDC-204
C15H22N2O3
Phe Leu
Dipeptide
38
CSU/CDC-247
—
—
—
TABLE C
m/z
Retention
MF
(positive
Time (see
#
Name
ion)
Mass
examples)
1
CSU/CDC-001
166.0852
165.078
1.86
2
CSU/CDC-012
270.3156
269.3076
18.02
3
CSU/CDC-013
284.3314
283.3236
18.13
4
CSU/CDC-014
300.6407
599.268
18.27
5
CSU/CDC-019
300.2892
299.2821
19.66
6
CSU/CDC-039
734.5079
1449.9753
17.81
7
CSU/CDC-062
370.1837
369.1757
19.7
8
CSU/CDC-066
811.1942
810.1869
12.07
9
CSU/CDC-067
947.7976
946.7936
14.55
10
CSU/CDC-072
410.2033
409.196
17.18
11
CSU/CDC-075
1487.0005
1485.9987
18.17
12
CSU/CDC-086
137.0463
136.0378
1.37
13
CSU/CDC-107
811.7965
810.7882
12.07
14
CSU/CDC-132
616.1776
615.1699
15.43
15
CSU/CDC-152
713.4492
712.4391
19.35
16
CSU/CDC-155
502.3376
484.3039
19.87
17
CSU/CDC-158
415.3045
414.2978
20.19
18
CSU/CDC-164
366.3729
365.3655
22.79
19
CSU/CDC-166
333.1446
332.1373
12.89
20
CSU/CDC-205
241.1069
240.0996
14.7
21
CSU/CDC-211
464.1916
463.1849
13.05
22
CSU/CDC-212
1249.2045
1248.1993
15.31
23
CSU/CDC-213
1248.9178
1247.9141
15.3
24
CSU/CDC-219
158.1539
157.1466
15.36
25
CSU/CDC-227
529.3381
528.3296
16.89
26
CSU/CDC-229
282.2776
264.2456
20.56
27
CSU/CDC-235
190.1260
189.1187
14.12
28
CSU/CDC-238
382.3675
381.3603
20.23
29
CSU/CDC-244
477.2968
476.2898
22.79
30
CSU/CDC-248
459.3968
458.3904
19.08
31
CSU/CDC-253
342.2635
341.2565
15.62
32
CSU/CDC-254
529.3827
1022.6938
17.86
33
CSU/CDC-258
459.2502
458.2429
19.02
34
CSU/CDC-003
886.4296
1770.8438
12.18
35
CSU/CDC-004
181.0859
180.0788
14.7
36
CSU/CDC-006
286.1444
285.1371
16.08
37
CSU/CDC-008
463.2339
462.2248
16.36
38
CSU/CDC-009
242.2844
241.2772
17.1
39
CSU/CDC-017
590.4237
589.4194
19.24
40
CSU/CDC-026
553.3904
552.3819
23.38
41
CSU/CDC-030
399.2364
398.2313
16.23
42
CSU/CDC-042
580.4144
1158.8173
18.26
43
CSU/CDC-052
704.4985
1372.925
18.7
44
CSU/CDC-061
623.4521
1210.8362
19.55
45
CSU/CDC-070
389.2178
388.2099
15.52
46
CSU/CDC-074
1111.6690
1110.6656
17.89
47
CSU/CDC-083
482.4040
481.3976
19.99
48
CSU/CDC-084
533.1929
532.1854
20.84
49
CSU/CDC-087
466.3152
465.3085
14.73
50
CSU/CDC-091
683.4728
1347.9062
17.56
51
CSU/CDC-095
227.0897
204.1002
9.68
52
CSU/CDC-098
183.1016
182.0943
10.89
53
CSU/CDC-099
476.3055
475.2993
11.09
54
CSU/CDC-112
215.1283
214.1209
12.32
55
CSU/CDC-115
519.1881
518.1813
12.33
56
CSU/CDC-128
1086.1800
2170.3435
15.38
57
CSU/CDC-133
285.2061
284.1993
15.99
58
CSU/CDC-134
357.1363
356.1284
15.98
59
CSU/CDC-136
299.1853
298.1781
16.24
60
CSU/CDC-137
334.2580
333.2514
16.36
61
CSU/CDC-138
317.2317
316.2254
16.63
62
CSU/CDC-141
331.2471
330.2403
17.26
63
CSU/CDC-144
583.3480
582.3379
18.04
64
CSU/CDC-157
648.4672
647.4609
19.98
65
CSU/CDC-165
445.2880
854.5087
12.48
66
CSU/CDC-181
1486.7386
2971.4668
14.97
67
CSU/CDC-183
668.4686
1317.8969
18.04
68
CSU/CDC-184
454.2924
436.2587
18.1
69
CSU/CDC-186
607.9324
606.9246
19.01
70
CSU/CDC-188
521.4202
503.3858
21.06
71
CSU/CDC-193
176.0746
175.0667
2.31
72
CSU/CDC-194
596.9082
1191.8033
19.1
73
CSU/CDC-203
532.5606
531.5555
18.38
74
CSU/CDC-206
337.1667
336.1599
20.67
75
CSU/CDC-210
415.1634
207.0784
12.2
76
CSU/CDC-218
364.3407
346.3068
20.72
77
CSU/CDC-222
989.5004
1976.9858
12.03
78
CSU/CDC-224
819.6064
1635.8239
12.06
79
CSU/CDC-237
286.2737
285.2666
19.08
80
CSU/CDC-245
614.4833
613.4772
19.78
81
CSU/CDC-250
298.2740
297.2668
16.44
82
CSU/CDC-252
1003.7020
1002.696
18.46
Predicted
Chemical
Structure
Compound
(based on
Metabolite
Predicted
accurate
Class or
MF #
Name
Formula
mass)
Pathway
1
CSU/CDC-001
C9H11NO2
Phenylal-
Phenylalanine
anine
metabolism
2
CSU/CDC-012
C18H39N
—
—
3
CSU/CDC-013
C19 H41 N
—
—
4
CSU/CDC-014
C33H37N5O6
Asp Phe
Peptide
Arg Tyr
(SEQ ID
NO:
1)
5
CSU/CDC-019
C18H37NO2
Palmitoyl
N-acyl
ethanol-
ethanolamine
amide
metabolism
6
CSU/CDC-039
—
—
—
7
CSU/CDC-062
C19H23N5O3
—
—
8
CSU/CDC-066
C42H30N6O12
—
—
9
CSU/CDC-067
C62H106O6
TAG(59:7)
Triacylglycerol
metabolism
10
CSU/CDC-072
—
—
—
11
CSU/CDC-075
—
—
—
12
CSU/CDC-086
C4H8O5
Threonate
Sugar metabolite
13
CSU/CDC-107
—
—
—
14
CSU/CDC-132
—
—
—
15
CSU/CDC-152
C38H65O10P
PG(32:5)
Glycerophos-
pholipid
metabolism
16
CSU/CDC-155
C27H40N4O4
Gln Leu
Peptide
Pro Lys
(SEQ ID
NO:
2)
17
CSU/CDC-158
—
—
—
18
CSU/CDC-164
—
—
—
19
CSU/CDC-166
C12H20N4O7
Glu Gln Gly
Peptide
20
CSU/CDC-205
C12H16O5
3-Carboxy-
Fatty acid
4-methyl-5-
metabolism
propyl-2-
furanpro-
panoic
acid (CMPF)
21
CSU/CDC-211
C16H29N7O7S
Arg Asp
Peptide
Cys Ala
(SEQ ID
NO:
3)
22
CSU/CDC-212
—
—
—
23
CSU/CDC-213
—
—
—
24
CSU/CDC-219
—
—
—
25
CSU/CDC-227
C24H44N6O7
Gln Val
Peptide
Leu Leu
Gly (SEQ
ID NO:
4)
26
CSU/CDC-229
C18H32O
—
—
27
CSU/CDC-235
C9H19NOS
8-Methyl-
2-oxocarboxylic
thiooctanal
acid metabolism
doxime
28
CSU/CDC-238
C24H47NO2
Erucicoyl
N-acyl
ethanolamine
ethanolamide
metabolism
29
CSU/CDC-244
C31 H40O4
Lys Lys
Peptide
Thr Thr
(SEQ ID
NO:
5)
30
CSU/CDC-248
—
—
—
31
CSU/CDC-253
C19H35NO4
—
—
32
CSU/CDC-254
—
—
—
33
CSU/CDC-258
C23H39O7P
Lyso
Glycerohos-
PA(20:4)
pholipid
metabolism
34
CSU/CDC-003
—
—
—
35
CSU/CDC-004
C10H12O3
5′-(3′-
Endogenous
Methoxy-4′-
metabolite
hydroxy-
associated
phenyl)-
with
gamma-
microbiome
valerolactone
36
CSU/CDC-006
C17H19NO3
Piperine
Alkaloid
metabolism
37
CSU/CDC-008
C25H34O8
Ala Lys
Peptide
Met Asn
(SEQ ID
NO:
6)
38
CSU/CDC-009
C16H35N
—
—
39
CSU/CDC-017
—
—
—
40
CSU/CDC-026
C35H52O5
Furohyper-
Endogenous
forin
metabolite -
derived
from food
41
CSU/CDC-030
—
—
—
42
CSU/CDC-042
—
—
—
43
CSU/CDC-052
—
—
—
44
CSU/CDC-061
—
—
—
45
CSU/CDC-070
C19H32O8
—
—
46
CSU/CDC-074
—
—
—
47
CSU/CDC-083
—
—
—
48
CSU/CDC-084
C23H28N6O9
Asp His
Peptide
Phe Asp
(SEQ ID
NO:
7)
49
CSU/CDC-087
C26H43NO6
Glycocholic
Bile acid
acid
metabolism
50
CSU/CDC-091
—
—
—
51
CSU/CDC-095
C9H16O5
—
—
52
CSU/CDC-098
C10H14O3
—
—
53
CSU/CDC-099
C26H41N3O5
—
—
54
CSU/CDC-112
C11H18O4
alpha-
Endogenous
Carboxy-
delta-
metabolite -
decalactone
derived
from food
55
CSU/CDC-115
C20H30N4O12
Poly-g-D-
Poly D-glutamate
glutamate
metabolism
56
CSU/CDC-128
—
—
—
57
CSU/CDC-133
C16H28O4
—
—
58
CSU/CDC-134
C20H20O6
Xanthoxylol
Endogenous
metabolite -
derived
from food
59
CSU/CDC-136
C16H26O5
Tetranor-
Prostaglandin
PGE1
metabolism
60
CSU/CDC-137
—
—
—
61
CSU/CDC-138
—
—
—
62
CSU/CDC-141
C18H34O5
11,12,13-
Fatty acid
trihydroxy-9-
metabolism
octadecenoic
acid
63
CSU/CDC-144
C27H46N6O8
Leu Lys Glu
Peptide
Pro Pro
(SEQ ID
NO:
8)
64
CSU/CDC-157
C34H66NO8P
PE(29:1)
Glycerophos-
pholipid
metabolism
65
CSU/CDC-165
C45H74O15
(3b,21b)-12-
Endogenous
Oleanene-
metabolite -
3,21,28-
derived
triol 28-
from food
[arabinosyl-
(1->3)-
arabinosyl-
(1->3)-
arabinoside]
66
CSU/CDC-181
—
—
—
67
CSU/CDC-183
C16H28O4
Omphalotin
Endogenous
A
metabolite -
derived
from food
68
CSU/CDC-184
C21H41O7P
Lyso-
Glycerophos-
PA(18:1)
pholipid
metabolism
69
CSU/CDC-186
—
—
—
70
CSU/CDC-188
—
—
—
71
CSU/CDC-193
—
—
—
72
CSU/CDC-194
—
—
—
73
CSU/CDC-203
—
—
—
74
CSU/CDC-206
C12H24N4O7
—
—
75
CSU/CDC-210
C8H9N5O2
6-Amino-
Endogenous
9H-purine-
metabolite -
9-propanoic
derived
acid
from food
76
CSU/CDC-218
—
—
—
77
CSU/CDC-222
—
—
—
78
CSU/CDC-224
—
—
—
79
CSU/CDC-237
C17H35NO2
Pentade-
N-acyl
canoyl
ethanolamine
ethanolamide
metabolism
80
CSU/CDC-245
—
—
—
81
CSU/CDC-250
C18H35NO2
3-Ketospin-
Sphingolipid
gosine
metabolism
82
CSU/CDC-252
—
—
—
TABLE D
m/z
Retention
(positive
Time (see
MF #
Name
ion)
Mass
examples)
1
CSU/CDC-001
166.0852
165.078
1.86
2
CSU/CDC-012
270.3156
269.3076
18.02
3
CSU/CDC-013
284.3314
283.3236
18.13
4
CSU/CDC-014
300.6407
599.268
18.27
5
CSU/CDC-019
300.2892
299.2821
19.66
6
CSU/CDC-039
734.5079
1449.9753
17.81
7
CSU/CDC-062
370.1837
369.1757
19.7
8
CSU/CDC-066
811.1942
810.1869
12.07
9
CSU/CDC-067
947.7976
946.7936
14.55
10
CSU/CDC-072
410.2033
409.196
17.18
11
CSU/CDC-075
1487.0005
1485.9987
18.17
12
CSU/CDC-086
137.0463
136.0378
1.37
13
CSU/CDC-107
811.7965
810.7882
12.07
14
CSU/CDC-132
616.1776
615.1699
15.43
15
CSU/CDC-152
713.4492
712.4391
19.35
16
CSU/CDC-155
502.3376
484.3039
19.87
17
CSU/CDC-158
415.3045
414.2978
20.19
18
CSU/CDC-164
366.3729
365.3655
22.79
19
CSU/CDC-166
333.1446
332.1373
12.89
20
CSU/CDC-205
241.1069
240.0996
14.7
21
CSU/CDC-211
464.1916
463.1849
13.05
22
CSU/CDC-212
1249.2045
1248.1993
15.31
23
CSU/CDC-213
1248.9178
1247.9141
15.3
24
CSU/CDC-219
158.1539
157.1466
15.36
25
CSU/CDC-227
529.3381
528.3296
16.89
26
CSU/CDC-229
282.2776
264.2456
20.56
27
CSU/CDC-235
190.1260
189.1187
14.12
28
CSU/CDC-238
382.3675
381.3603
20.23
29
CSU/CDC-244
477.2968
476.2898
22.79
30
CSU/CDC-248
459.3968
458.3904
19.08
31
CSU/CDC-253
342.2635
341.2565
15.62
32
CSU/CDC-254
529.3827
1022.6938
17.86
33
CSU/CDC-258
459.2502
458.2429
19.02
34
CSU/CDC-002
239.0919
238.0844
11.66
35
CSU/CDC-028
389.2174
388.2094
15.47
36
CSU/CDC-182
285.2065
284.1991
16.02
37
CSU/CDC-204
279.1693
278.1629
11.05
38
CSU/CDC-247
714.6967
1427.3824
11.76
39
CSU/CDC-003
886.4296
1770.8438
12.18
40
CSU/CDC-004
181.0859
180.0788
14.7
41
CSU/CDC-006
286.1444
285.1371
16.08
42
CSU/CDC-008
463.2339
462.2248
16.36
43
CSU/CDC-009
242.2844
241.2772
17.1
44
CSU/CDC-017
590.4237
589.4194
19.24
45
CSU/CDC-026
553.3904
552.3819
23.38
46
CSU/CDC-030
399.2364
398.2313
16.23
47
CSU/CDC-042
580.4144
1158.8173
18.26
48
CSU/CDC-052
704.4985
1372.925
18.7
49
CSU/CDC-061
623.4521
1210.8362
19.55
50
CSU/CDC-070
389.2178
388.2099
15.52
51
CSU/CDC-074
1111.6690
1110.6656
17.89
52
CSU/CDC-083
482.4040
481.3976
19.99
53
CSU/CDC-084
533.1929
532.1854
20.84
54
CSU/CDC-087
466.3152
465.3085
14.73
55
CSU/CDC-091
683.4728
1347.9062
17.56
56
CSU/CDC-095
227.0897
204.1002
9.68
57
CSU/CDC-098
183.1016
182.0943
10.89
58
CSU/CDC-099
476.3055
475.2993
11.09
59
CSU/CDC-112
215.1283
214.1209
12.32
60
CSU/CDC-115
519.1881
518.1813
12.33
61
CSU/CDC-128
1086.1800
2170.3435
15.38
62
CSU/CDC-133
285.2061
284.1993
15.99
63
CSU/CDC-134
357.1363
356.1284
15.98
64
CSU/CDC-136
299.1853
298.1781
16.24
65
CSU/CDC-137
334.2580
333.2514
16.36
66
CSU/CDC-138
317.2317
316.2254
16.63
67
CSU/CDC-141
331.2471
330.2403
17.26
68
CSU/CDC-144
583.3480
582.3379
18.04
69
CSU/CDC-157
648.4672
647.4609
19.98
70
CSU/CDC-165
445.2880
854.5087
12.48
71
CSU/CDC-181
1486.7386
2971.4668
14.97
72
CSU/CDC-183
668.4686
1317.8969
18.04
73
CSU/CDC-184
454.2924
436.2587
18.1
74
CSU/CDC-186
607.9324
606.9246
19.01
75
CSU/CDC-188
521.4202
503.3858
21.06
76
CSU/CDC-193
176.0746
175.0667
2.31
77
CSU/CDC-194
596.9082
1191.8033
19.1
78
CSU/CDC-203
532.5606
531.5555
18.38
79
CSU/CDC-206
337.1667
336.1599
20.67
80
CSU/CDC-210
415.1634
207.0784
12.2
81
CSU/CDC-218
364.3407
346.3068
20.72
82
CSU/CDC-222
989.5004
1976.9858
12.03
83
CSU/CDC-224
819.6064
1635.8239
12.06
84
CSU/CDC-237
286.2737
285.2666
19.08
85
CSU/CDC-245
614.4833
613.4772
19.78
86
CSU/CDC-250
298.2740
297.2668
16.44
87
CSU/CDC-252
1003.7020
1002.696
18.46
88
CSU/CDC-005
223.0968
222.0895
14.69
89
CSU/CDC-007
286.1437
285.1364
16.06
90
CSU/CDC-010
1112.6727
1111.6663
17.86
91
CSU/CDC-011
454.2923
453.2867
18.08
92
CSU/CDC-015
522.3580
521.3483
18.5
93
CSU/CDC-016
363.2192
362.2132
18.58
94
CSU/CDC-018
388.3939
387.3868
19.53
95
CSU/CDC-020
256.2632
255.2561
20.08
96
CSU/CDC-021
394.3515
376.3171
20.09
97
CSU/CDC-022
228.1955
227.1885
20.99
98
CSU/CDC-023
284.2943
283.2872
21.15
99
CSU/CDC-024
338.3430
337.3344
22.14
100
CSU/CDC-025
689.5604
688.5504
22.52
101
CSU/CDC-027
432.2803
431.2727
10.8
102
CSU/CDC-029
385.2211
384.2147
15.84
103
CSU/CDC-031
449.3261
879.6122
17.07
104
CSU/CDC-032
467.3821
444.2717
17.1
105
CSU/CDC-033
836.5936
835.5845
17.15
106
CSU/CDC-034
792.5646
791.5581
17.17
107
CSU/CDC-035
356.2802
355.2722
17.35
108
CSU/CDC-036
806.5798
805.5746
17.71
109
CSU/CDC-037
762.5582
761.5482
17.79
110
CSU/CDC-038
718.5308
700.4946
17.88
111
CSU/CDC-040
690.4825
1361.924
17.95
112
CSU/CDC-041
426.1798
425.1725
18.03
113
CSU/CDC-043
741.5154
1481.0142
18.24
114
CSU/CDC-044
864.6245
863.6166
18.17
115
CSU/CDC-045
558.4017
1080.7347
18.28
116
CSU/CDC-046
719.5012
1402.9377
18.26
117
CSU/CDC-047
536.3897
1053.7382
18.36
118
CSU/CDC-048
538.8674
1058.696
18.4
119
CSU/CDC-049
653.4619
1270.8593
18.43
120
CSU/CDC-050
732.5450
714.5092
18.47
121
CSU/CDC-051
748.5232
1478.0059
18.58
122
CSU/CDC-053
682.4841
1328.9008
18.77
123
CSU/CDC-054
360.3615
359.3555
18.89
124
CSU/CDC-055
441.2412
440.2325
19.09
125
CSU/CDC-056
638.4554
1240.847
18.92
126
CSU/CDC-057
755.5311
1474.9941
18.94
127
CSU/CDC-058
711.5023
1386.9417
19.09
128
CSU/CDC-059
784.5530
1567.0908
19.27
129
CSU/CDC-060
645.4660
1271.8896
19.36
130
CSU/CDC-063
300.2886
282.2569
19.84
131
CSU/CDC-064
309.0981
308.0913
2.06
132
CSU/CDC-065
561.2965
1120.5778
11.7
133
CSU/CDC-068
1106.2625
2209.5193
14.53
134
CSU/CDC-069
371.2070
370.1997
15.52
135
CSU/CDC-071
443.2649
442.256
15.52
136
CSU/CDC-073
850.6093
849.6009
17.63
137
CSU/CDC-076
697.4896
1358.909
18.32
138
CSU/CDC-077
439.8234
877.6325
18.71
139
CSU/CDC-078
567.8897
566.8818
18.73
140
CSU/CDC-079
435.2506
434.243
19
141
CSU/CDC-080
834.6136
833.6057
18.83
142
CSU/CDC-081
534.8834
533.8771
18.82
143
CSU/CDC-082
468.8441
467.8373
19.13
144
CSU/CDC-085
312.3259
311.319
22.05
145
CSU/CDC-088
228.1955
227.1884
15.22
146
CSU/CDC-089
385.2211
384.2143
15.83
147
CSU/CDC-090
403.2338
402.2253
15.84
148
CSU/CDC-092
675.4753
1348.9377
18.37
149
CSU/CDC-093
682.4841
1345.9257
18.76
150
CSU/CDC-094
762.5401
1506.0367
19.36
151
CSU/CDC-177
189.1122
188.1049
12.27
152
CSU/CDC-097
169.0860
168.0786
9.94
153
CSU/CDC-100
276.1263
275.1196
11.16
154
CSU/CDC-101
314.0672
313.06
11.56
155
CSU/CDC-102
201.1122
200.1047
11.56
156
CSU/CDC-103
115.0391
114.0318
11.57
157
CSU/CDC-104
491.1569
490.1504
11.56
158
CSU/CDC-105
241.1054
218.1157
11.57
159
CSU/CDC-106
105.0914
104.0841
11.57
160
CSU/CDC-108
311.1472
328.1391
12.22
161
CSU/CDC-109
271.1543
270.1464
12.24
162
CSU/CDC-110
169.0860
168.0787
12.24
163
CSU/CDC-111
187.0967
186.0889
12.24
164
CSU/CDC-113
475.1635
474.1547
12.25
165
CSU/CDC-114
129.0547
128.0474
12.33
166
CSU/CDC-116
125.0599
124.0527
13.12
167
CSU/CDC-117
247.1550
246.1469
13.13
168
CSU/CDC-118
517.2614
516.2544
13.13
169
CSU/CDC-119
301.0739
300.0658
13.14
170
CSU/CDC-120
327.1773
304.1885
14.17
171
CSU/CDC-121
387.2023
386.1935
14.51
172
CSU/CDC-122
875.8451
1749.684
14.55
173
CSU/CDC-123
737.5118
736.5056
14.52
174
CSU/CDC-124
1274.3497
1273.3481
14.96
175
CSU/CDC-125
1274.2092
1273.2
14.96
176
CSU/CDC-126
1486.5728
2971.1328
14.95
177
CSU/CDC-127
965.3818
964.3727
15.37
178
CSU/CDC-129
1086.0562
2170.0908
15.38
179
CSU/CDC-130
1086.4344
2169.8474
15.39
180
CSU/CDC-131
1240.7800
1239.7712
15.38
181
CSU/CDC-135
317.1956
316.1885
16.24
182
CSU/CDC-139
299.2219
298.2148
16.64
183
CSU/CDC-140
748.5408
747.5317
17.23
184
CSU/CDC-142
712.4935
1422.9749
17.82
185
CSU/CDC-143
674.5013
673.4957
17.99
186
CSU/CDC-145
677.9537
676.9478
18.36
187
CSU/CDC-146
531.3522
530.3457
18.4
188
CSU/CDC-147
585.2733
584.2649
18.39
189
CSU/CDC-148
513.3431
512.3352
18.4
190
CSU/CDC-149
611.9156
610.9073
18.59
191
CSU/CDC-150
549.0538
531.0181
18.38
192
CSU/CDC-151
755.5311
1509.0457
18.93
193
CSU/CDC-153
599.4146
598.4079
19.59
194
CSU/CDC-154
762.5029
761.4919
19.66
195
CSU/CDC-156
741.4805
740.4698
19.96
196
CSU/CDC-159
516.3532
498.3199
20.27
197
CSU/CDC-160
769.5099
768.5018
20.53
198
CSU/CDC-161
862.5881
861.5818
20.86
199
CSU/CDC-162
837.5358
836.5274
21.11
200
CSU/CDC-163
558.3995
540.367
21.44
201
CSU/CDC-167
1105.9305
2209.8462
14.53
202
CSU/CDC-168
329.1049
328.0976
14.61
203
CSU/CDC-169
1241.2053
1240.2
15.38
204
CSU/CDC-170
1088.6731
1087.6676
17.85
205
CSU/CDC-171
667.4391
666.4323
20.35
206
CSU/CDC-172
133.0497
132.0423
11.57
207
CSU/CDC-173
259.1540
258.1469
11.75
208
CSU/CDC-174
311.1472
288.1574
12.23
209
CSU/CDC-175
147.0652
146.0579
12.33
210
CSU/CDC-176
169.0860
168.0788
12.29
211
CSU/CDC-096
187.0965
186.0894
9.93
212
CSU/CDC-178
139.1116
138.1044
12.95
213
CSU/CDC-179
515.2811
514.2745
13.14
214
CSU/CDC-180
283.1522
282.1444
13.93
215
CSU/CDC-185
706.9750
705.9684
18.7
216
CSU/CDC-187
834.5575
833.5502
20.32
217
CSU/CDC-189
683.4727
1364.9294
17.54
218
CSU/CDC-190
728.9890
1455.9633
18.63
219
CSU/CDC-191
726.5104
1451.0035
18.64
220
CSU/CDC-192
633.9280
632.9206
18.47
221
CSU/CDC-195
209.0784
208.0713
9.92
222
CSU/CDC-196
792.5483
1566.055
18.46
223
CSU/CDC-197
618.9221
1218.8083
19.02
224
CSU/CDC-198
549.0543
531.0189
18.37
225
CSU/CDC-199
553.7262
552.7188
18.74
226
CSU/CDC-200
756.0320
755.0266
18.95
227
CSU/CDC-201
639.6307
638.6205
19.58
228
CSU/CDC-202
753.4414
730.4513
19.37
229
CSU/CDC-207
328.3204
327.3148
20.72
230
CSU/CDC-208
514.3718
1009.7122
18.42
231
CSU/CDC-209
630.4594
1241.8737
19.95
232
CSU/CDC-214
244.2270
243.22
17.17
233
CSU/CDC-215
463.3426
924.6699
18.08
234
CSU/CDC-216
468.3892
450.3553
19.17
235
CSU/CDC-217
438.3787
420.3453
19.93
236
CSU/CDC-220
792.0006
790.995
12.04
237
CSU/CDC-221
792.2025
791.1947
12.04
238
CSU/CDC-223
791.6016
790.594
12.04
239
CSU/CDC-225
1115.5593
2228.1028
14.95
240
CSU/CDC-226
1486.9176
2970.7976
14.96
241
CSU/CDC-228
430.3161
412.2845
20.23
242
CSU/CDC-230
297.2793
296.2734
20.66
243
CSU/CDC-231
714.3655
1426.718
11.73
244
CSU/CDC-232
714.5306
1427.0479
11.76
245
CSU/CDC-233
989.7499
1977.4865
12.03
246
CSU/CDC-234
221.0744
220.0672
13.7
247
CSU/CDC-236
313.2734
312.2663
18.91
248
CSU/CDC-239
337.2712
314.282
20.66
249
CSU/CDC-240
441.3687
440.3614
21.26
250
CSU/CDC-241
425.3735
424.3666
21.5
251
CSU/CDC-242
356.3517
355.3448
21.67
252
CSU/CDC-243
393.2970
370.3082
22.46
253
CSU/CDC-246
167.9935
166.9861
13.2
254
CSU/CDC-249
677.6170
676.6095
20.71
255
CSU/CDC-251
460.2695
459.2627
16.87
256
CSU/CDC-255
630.4765
612.4417
18.11
257
CSU/CDC-256
514.3734
1026.7281
18.41
258
CSU/CDC-257
667.4754
1315.916
19.28
259
CSU/CDC-259
516.8549
1031.6945
18.43
260
CSU/CDC-260
740.5242
1479.0334
19.4
261
CSU/CDC-261
1104.0614
2206.1096
15.2
Predicted
Chemical
Structure
Compound
(based on
Metabolite
Predicted
accurate
Class or
MF #
Name
Formula
mass)
Pathway
1
CSU/CDC-001
C9H11NO2
Phenylalanine
Phenylalanine
metabolism
2
CSU/CDC-012
C18H39N
—
—
3
CSU/CDC-013
C19 H41N
—
—
4
CSU/CDC-014
C33H37N5O6
Asp Phe
Peptide
Arg Tyr
(SEQ ID
NO:
1)
5
CSU/CDC-019
C18H37NO2
Palmitoyl
N-acyl
ethanolamide
ethanolamine
metabolism
6
CSU/CDC-039
—
—
—
7
CSU/CDC-062
C19H23N5O3
—
—
8
CSU/CDC-066
C42H30N6O12
—
—
9
CSU/CDC-067
C62H106O6
TAG(59:7)
Triacylglycerol
metabolism
10
CSU/CDC-072
—
—
—
11
CSU/CDC-075
—
—
—
12
CSU/CDC-086
C4H8O5
Threonate
Sugar
metabolite
13
CSU/CDC-107
—
—
—
14
CSU/CDC-132
—
—
—
15
CSU/CDC-152
C38H65O10P
PG(32:5)
Glycerophos-
pholipid
metabolism
16
CSU/CDC-155
C27H40N4O4
Gln Leu
Peptide
Pro Lys
(SEQ ID
NO:
2)
17
CSU/CDC-158
—
—
—
18
CSU/CDC-164
—
—
—
19
CSU/CDC-166
C12H20N4O7
Glu Gln Gly
Peptide
20
CSU/CDC-205
C12H16O5
3-Carboxy-
Fatty acid
4-methyl-5-
metabolism
propyl-2-
furanpropanoic
acid (CMPF)
21
CSU/CDC-211
C16H29N7O7S
Arg Asp
Peptide
Cys Ala
(SEQ ID
NO:
3)
22
CSU/CDC-212
—
—
—
23
CSU/CDC-213
—
—
—
24
CSU/CDC-219
—
—
—
25
CSU/CDC-227
C24H44N6O7
Gln Val Leu
Peptide
Leu Gly
(SEQ ID
NO:
4)
26
CSU/CDC-229
C18H32O
—
—
27
CSU/CDC-235
C9H19NOS
8-Methyl-
2-oxocarbo
thiooctanal
xylic acid
doxime
metabolism
28
CSU/CDC-238
C24H47NO2
Erucicoyl
N-acyl
ethanolamide
ethanolamine
metabolism
29
CSU/CDC-244
C31 H40O4
Lys Lys
Peptide
Thr Thr
(SEQ ID
NO:
5)
30
CSU/CDC-248
—
—
—
31
CSU/CDC-253
C19H35NO4
—
—
32
CSU/CDC-254
—
—
—
33
CSU/CDC-258
C23H39O7P
Lyso PA(20:4)
Glycerohos-
pholipid
metabolism
34
CSU/CDC-002
C12H14O5
Trans-2,3,4-
Phenylpro-
trimethoxy-
panoid and
cinnamate
polyketide
metabolism
35
CSU/CDC-028
C19H32O8
Methyl
Fatty acid
10,12,13,15-
metabolism
bisepidioxy-
16-hydroper-
oxy-8E-
octadecenoate
36
CSU/CDC-182
C16H28O4
—
—
37
CSU/CDC-204
C15H22N2O3
Phe Leu
Dipeptide
38
CSU/CDC-247
—
—
—
39
CSU/CDC-003
—
—
—
40
CSU/CDC-004
C10H12O3
5′-(3′-Methoxy-
Endogenous
4′-hydroxy-
metabolite
phenyl)-
associated
gamma-
with
valerolactone
microbiome
41
CSU/CDC-006
C17H19NO3
Piperine
Alkaloid
metabolism
42
CSU/CDC-008
C25H34O8
Ala Lys
Peptide
Met Asn
(SEQ ID
NO:
6)
43
CSU/CDC-009
C16H35N
—
—
44
CSU/CDC-017
—
—
—
45
CSU/CDC-026
C35H52O5
Furohyperforin
Endogenous
metabolite -
derived from
food
46
CSU/CDC-030
—
—
—
47
CSU/CDC-042
—
—
—
48
CSU/CDC-052
—
—
—
49
CSU/CDC-061
—
—
—
50
CSU/CDC-070
C19H32O8
—
—
51
CSU/CDC-074
—
—
—
52
CSU/CDC-083
—
—
—
53
CSU/CDC-084
C23H28N6O9
Asp His
Peptide
Phe Asp
(SEQ ID
NO:
7)
54
CSU/CDC-087
C26H43NO6
Glycocholic
Bile acid
acid
metabolism
55
CSU/CDC-091
—
—
—
56
CSU/CDC-095
C9H16O5
—
—
57
CSU/CDC-098
C10H14O3
—
—
58
CSU/CDC-099
C26H41N3O5
—
—
59
CSU/CDC-112
C11H18O4
alpha-
Endogenous
Carboxy-
metabolite -
delta-
derived from
decalactone
food
60
CSU/CDC-115
C20H30N4O12
Poly-g-D-
Poly D-
glutamate
glutamate
metabolism
61
CSU/CDC-128
—
—
—
62
CSU/CDC-133
C16H28O4
—
—
63
CSU/CDC-134
C20H20O6
Xanthoxylol
Endogenous
metabolite -
derived from
food
64
CSU/CDC-136
C16H26O5
Tetranor-PGE1
Prostaglandin
metabolism
65
CSU/CDC-137
—
—
—
66
CSU/CDC-138
—
—
—
67
CSU/CDC-141
C18H34O5
11,12,13-
Fatty acid
trihydroxy-9-
metabolism
octadecenoic
acid
68
CSU/CDC-144
C27H46N6O8
Leu Lys Glu
Peptide
Pro Pro
(SEQ ID
NO:
8)
69
CSU/CDC-157
C34H66NO8P
PE(29:1)
Glycerophos-
pholipid
metabolism
70
CSU/CDC-165
C45H74O15
(3b,21b)-12-
Endogenous
Oleanene-
metabolite -
3,21,28-triol
derived from
28-[arabinosyl-
food
(1->3)-
arabinosyl-
(1->3)-
arabinoside]
71
CSU/CDC-181
—
—
—
72
CSU/CDC-183
C16H28O4
Omphalotin A
Endogenous
metabolite -
derived from
food
73
CSU/CDC-184
C21H4107P
Lyso-PA(18:1)
Glycerophos-
pholipid
metabolism
74
CSU/CDC-186
—
—
—
75
CSU/CDC-188
—
—
—
76
CSU/CDC-193
—
—
—
77
CSU/CDC-194
—
—
—
78
CSU/CDC-203
—
—
—
79
CSU/CDC-206
C12H24N4O7
—
—
80
CSU/CDC-210
C8H9N5O2
6-Amino-9H-
Endogenous
purine-9-
metabolite -
propanoic
derived from
acid
food
81
CSU/CDC-218
—
—
—
82
CSU/CDC-222
—
—
—
83
CSU/CDC-224
—
—
—
84
CSU/CDC-237
C17H35NO2
Pentadecanoyl
N-acyl
ethanolamide
ethanolamine
metabolism
85
CSU/CDC-245
—
—
—
86
CSU/CDC-250
C18H35NO2
3-Keto-
Sphingolipid
spingosine
metabolism
87
CSU/CDC-252
—
—
—
88
CSU/CDC-005
C12H14O4
—
—
89
CSU/CDC-007
C17H19NO3
—
—
90
CSU/CDC-010
—
—
—
91
CSU/CDC-011
C21H44NO7P
Glycero-
N-acyl
phospho-
ethanolamine
N-Palmitoyl
metabolism
Ethanolamine
92
CSU/CDC-015
C26H52NO7P
PC(18:1)
Glycero-
phospholipid
metabolism
93
CSU/CDC-016
C21H30O5
4,5α-
Sterol
dihydro-
metabolism
cortisone
94
CSU/CDC-018
—
—
—
95
CSU/CDC-020
C16H33NO
Palmitic amide
Primary Fatty
Acid Amide
Metabolism
96
CSU/CDC-021
—
—
—
97
CSU/CDC-022
—
—
—
98
CSU/CDC-023
C18H37NO
Stearamide
Primary Fatty
Acid Amide
Metabolism
99
CSU/CDC-024
C22H43NO
13Z-
Primary Fatty
Docosenamide
Acid Amide
(Erucamide)
Metabolism
100
CSU/CDC-025
C38H77N2O6P
SM(d18:1-
Sphingolipid
15:0)/SM
metabolism
(d18:1/14:1-
OH)
101
CSU/CDC-027
C25H37NO5
Ala Ile Lys
Peptide
Thr (SEQ ID
NO:
9)
102
CSU/CDC-029
C16H28N6O5
Lys His Thr
Peptides
103
CSU/CDC-031
C46H89NO12S
C22-OH
Sphingolipid
Sulfatide
metabolism
104
CSU/CDC-032
C24H40O8
2-glyceryl-6-
Prostaglandin
keto-PGF1α
metabolism
105
CSU/CDC-033
C44H85NO11S
C20 Sulfatide
Sphingolipid
metabolism
106
CSU/CDC-034
C42H82NO10P
PS(36:0)
Glycero-
phospholipid
metabolism
107
CSU/CDC-035
—
—
—
108
CSU/CDC-036
C43H84NO10P
PS(37:0)
Glycero-
phospholipid
metabolism
109
CSU/CDC-037
C41H80NO9P
PS-O(35:1)
Glycero-
phospholipid
metabolism
110
CSU/CDC-038
C39H73O8P
PA(36:2)
Glycero-
phospholipid
metabolism
111
CSU/CDC-040
—
—
—
112
CSU/CDC-041
—
—
—
113
CSU/CDC-043
C83H150O17P2
CL(74:6)
Glycero-
phospholipid
metabolism
114
CSU/CDC-044
C46H89NO115
C22 Sulfatide
Sphingolipid
metabolism
115
CSU/CDC-045
—
—
—
116
CSU/CDC-046
—
—
—
117
CSU/CDC-047
—
—
—
118
CSU/CDC-048
—
—
—
119
CSU/CDC-049
—
—
—
120
CSU/CDC-050
C40H75O8P
PA(37:2)
Glycero-
phospholipid
metabolism
121
CSU/CDC-051
—
—
—
122
CSU/CDC-053
—
—
—
123
CSU/CDC-054
—
—
—
124
CSU/CDC-055
C20H32N4O7
Pro Asp
Peptide
Pro Leu
(SEQ ID
NO:
10)
125
CSU/CDC-056
—
—
—
126
CSU/CDC-057
C831-
CL(74:9)
Glycero-
1144017P2
phospholipid
metabolism
127
CSU/CDC-058
—
—
—
128
CSU/CDC-059
—
—
—
129
CSU/CDC-060
—
—
—
130
CSU/CDC-063
C18H34O2
13Z-octa-
Fatty acid
decenoic acid
metabolism
131
CSU/CDC-064
C15H16O7
—
—
132
CSU/CDC-065
C54H88O24
Camellioside D
Endogenous
metabolite -
derived from
food
133
CSU/CDC-068
—
—
—
134
CSU/CDC-069
C15H26N6O7
His Ser Lys
Peptide
135
CSU/CDC-071
C19H34N6O6
Pro Gln
Peptide
Ala Lys
(SEQ ID
NO:
11)
136
CSU/CDC-073
C48H84NO9P
PS-O(42:6)
Glycero-
phospholipid
metabolism
137
CSU/CDC-076
—
—
—
138
CSU/CDC-077
—
—
—
139
CSU/CDC-078
—
—
—
140
CSU/CDC-079
C21H39O7P
Lyso-PA(18:2)
Glycero-
phospholipid
metabolism
141
CSU/CDC-080
C45H88NO10P
PS(39:0)
Glycero-
phospholipid
metabolism
142
CSU/CDC-081
—
—
—
143
CSU/CDC-082
—
—
—
144
CSU/CDC-085
—
—
—
145
CSU/CDC-088
—
—
—
146
CSU/CDC-089
C20H32O7
Lys His Thr
Peptide
147
CSU/CDC-090
C16H30N6O6
Lys Gln Gln
Peptide
148
CSU/CDC-092
—
—
—
149
CSU/CDC-093
—
—
—
150
CSU/CDC-094
—
—
—
151
CSU/CDC-177
C9H14O4
Nonanedioic
Fatty acid
Acid
metabolism
152
CSU/CDC-097
C9H12O3
2,6-
Endogenous
Dimethoxy-4-
metabolite -
methylphenol
derived from
food
153
CSU/CDC-100
C15H17NO4
—
—
154
CSU/CDC-101
C10H12N5O5P
—
—
155
CSU/CDC-102
C10H16O4
Decenedioic
Fatty acid
acid
metabolism
156
CSU/CDC-103
C5H6O3
2-Hydroxy-2,4-
Phenylalanine
pentadienoate
metabolism
157
CSU/CDC-104
C24H26O11
—
—
158
CSU/CDC-105
C10H18O5
3-Hydroxy-
Fatty acid
sebacic acid
metabolism
159
CSU/CDC-106
—
—
160
CSU/CDC-108
C18H20N2O4
Phe Tyr
Peptide
161
CSU/CDC-109
—
—
—
162
CSU/CDC-110
C9H12O3
2,6-
Endogenous
Dimethoxy-4-
metabolite -
methylphenol
derived from
food
163
CSU/CDC-111
C9H14O4
—
—
164
CSU/CDC-113
C25H22N4O6
His Cys
Peptide
Asp Thr
(SEQ ID
NO:
12)
165
CSU/CDC-114
C6H8O3
(4E)-2-Oxo-
Fatty acid
hexenoic acid
metabolism
166
CSU/CDC-116
C7H8O2
4-Methyl-
Catechol
catechol
metabolism
167
CSU/CDC-117
C12H22O5
3-Hydroxy-
Fatty acid
dodecanedioic
metabolism
acid
168
CSU/CDC-118
C21H36N6O9
Gln Glu Gln
Peptide
Ile (SEQ ID
NO:
13)
169
CSU/CDC-119
C16H12O6
Chrysoeriol
Endogenous
metabolite -
derived from
food
170
CSU/CDC-120
C16H24N4O2
—
—
171
CSU/CDC-121
C19H30O8
Citroside A
Endogenous
metabolite -
derived from
food
172
CSU/CDC-122
—
—
—
173
CSU/CDC-123
C42H73O8P
PA(39:5)
Glycero-
phospholipid
metabolism
174
CSU/CDC-124
—
—
—
175
CSU/CDC-125
—
—
—
176
CSU/CDC-126
—
—
—
177
CSU/CDC-127
—
—
—
178
CSU/CDC-129
C97H167N5O48
NeuAcalpha2-
Sphingolipid
3Galbeta1-
metabolism
3GalNAcbeta1-
4(9-OAc-
NeuAcalpha2-
8NeuAcalpha2-
3)Galbeta1-
4Glcbeta-
Cer(d18:1/
18:0)
179
CSU/CDC-130
—
—
180
CSU/CDC-131
—
—
—
181
CSU/CDC-135
C12H24N6O4
Arg Ala Ala
Peptide
182
CSU/CDC-139
C17H30O4
8E-Heptade-
Fatty acid
cenedioic acid
metabolism
183
CSU/CDC-140
C40H78NO9P
PS-O(34:1)
Glycero-
phospholipid
metabolism
184
CSU/CDC-142
C79H140O17P2
CL(70:7)
Glycero-
phospholipid
metabolism
185
CSU/CDC-143
C37H72NO7P
PE-P(32:1)
Glycero-
phospholipid
metabolism
186
CSU/CDC-145
—
—
—
187
CSU/CDC-146
C35H46O4
—
—
188
CSU/CDC-147
C33H36N4O6
15,16-Dihyd-
Bilirubin
drobiliverdin
breakdown
products -
Porphyrin
metabolism
189
CSU/CDC-148
—
—
—
190
CSU/CDC-149
—
—
—
191
CSU/CDC-150
—
—
—
192
CSU/CDC-151
—
—
—
193
CSU/CDC-153
C40H54O4
Isomytilo-
Isoflavinoid
xanthin
194
CSU/CDC-154
C43H72NO8P
PE(38:7)
Glycero-
phospholipid
metabolism
195
CSU/CDC-156
C40H69O10P
PG(34:5)
Glycero-
phospholipid
metabolism
196
CSU/CDC-159
C23H42N6O6
Ala Leu Ala
Peptide
Pro Lys
(SEQ ID
NO:
14)
197
CSU/CDC-160
C42H73O10P
PG(36:5)
Glycero-
phospholipid
metabolism
198
CSU/CDC-161
—
—
—
199
CSU/CDC-162
C53H72O8
Amitenone
Endogenous
metabolite -
derived from
food
200
CSU/CDC-163
C26H48N6O6
Leu Ala Pro
Peptide
Lys Ile
(SEQ ID
NO:
15)
201
CSU/CDC-167
—
—
—
202
CSU/CDC-168
C18H16O6
2-Oxo-3-
Phenylalanine
phenylpro-
metabolism
panoic acid
203
CSU/CDC-169
—
—
—
204
CSU/CDC-170
—
—
—
205
CSU/CDC-171
C37H63O8P
PA(24:5)
Glycero-
phospholipid
metabolism
206
CSU/CDC-172
C5H8O4
2-Acetolactic
Pantothenate
acid
and CoA
Biosynthesis
Pathway
207
CSU/CDC-173
—
—
—
208
CSU/CDC-174
C10H20N6O4
Asn Arg
Dipeptide
209
CSU/CDC-175
C6H10O4
α-Ketopantoic
Pantothenate
acid
and CoA
Biosynthesis
Pathway
210
CSU/CDC-176
C9H12O3
Epoxyoxo-
Endogenous
phorone
metabolite -
derived from
food
211
CSU/CDC-096
C9H14O4
5-Butyltetrahy-
Endogenous
dro-2-oxo-3-
metabolite -
furancarboxylic
derived from
acid
food
212
CSU/CDC-178
C914O4
3,6-Nonadienal
Endogenous
metabolite -
derived from
food
213
CSU/CDC-179
C26H42O10
Cofaryloside
Endogenous
metabolite -
derived from
food
214
CSU/CDC-180
C25H42N2O7S
Epidihydro-
Endogenous
phaseic acid
metabolite -
derived from
food
215
CSU/CDC-185
—
—
—
216
CSU/CDC-187
—
—
—
217
CSU/CDC-189
—
—
—
218
CSU/CDC-190
—
—
—
219
CSU/CDC-191
C81H144O17P2
CL(72:7)
Glycero-
phospholipid
metabolism
220
CSU/CDC-192
—
—
—
221
CSU/CDC-195
C17H24O3
Benzyl-
Phenylpro-
succinate
panoic acid
metabolism
222
CSU/CDC-196
—
—
—
223
CSU/CDC-197
—
—
—
224
CSU/CDC-198
—
—
—
225
CSU/CDC-199
—
—
—
226
CSU/CDC-200
—
—
—
227
CSU/CDC-201
—
—
—
228
CSU/CDC-202
C42H67O8P
PA(39:8)
Glycero-
phospholipid
metabolism
229
CSU/CDC-207
C20H41NO2
Stearoyl
N-acyl
ethanolamide
ethanolamine
metabolism
230
CSU/CDC-208
C56H99NO14
3-O-acetyl-
Sphingolipid
sphingosine-
metabolism
2,3,4,6-tetra-O-
acetyl-
GalCer
(d18:1/h22:0)
231
CSU/CDC-209
—
—
—
232
CSU/CDC-214
C14H29NO2
Lauroyl
N-acyl
ethanolamide
ethanolamine
metabolism
233
CSU/CDC-215
—
—
—
234
CSU/CDC-216
C31H46O2
—
—
235
CSU/CDC-217
—
—
—
236
CSU/CDC-220
—
—
—
237
CSU/CDC-221
—
—
—
238
CSU/CDC-223
—
—
—
239
CSU/CDC-225
—
—
—
240
CSU/CDC-226
—
—
—
241
CSU/CDC-228
C23H40O6
—
—
242
CSU/CDC-230
C19H36O2
Methyl oleate
Oleic acid ester
243
CSU/CDC-231
—
—
—
244
CSU/CDC-232
—
—
—
245
CSU/CDC-233
—
—
—
246
CSU/CDC-234
C7H12N2O6
L-beta-
Peptide
aspartyl-
L-serine
247
CSU/CDC-236
C19H36O3
2-oxo-nona-
Fatty acid
decanoic acid
metabolism
248
CSU/CDC-239
C19H38O3
2-Hydroxy-
Fatty acid
nonadecanoic
metabolism
acid
249
CSU/CDC-240
C30H48O2
4,4-Dimethyl-
Sterol
14a-
metabolism
formyl-5a-
cholesta-8,24-
dien-3b-ol
250
CSU/CDC-241
C30H48O
Butyro-
Sterol
spermone
metabolism
251
CSU/CDC-242
C22H45NO2
Eicosanoyl
N-acyl
ethanolamide
ethanolamine
metabolism
252
CSU/CDC-243
C22H42O4
—
—
253
CSU/CDC-246
C7H5NS2
—
—
254
CSU/CDC-249
C47H80O2
Cholesterol
Sterol
ester (20:2)
metabolism
255
CSU/CDC-251
C26H37NO6
—
—
256
CSU/CDC-255
—
—
—
257
CSU/CDC-256
—
—
—
258
CSU/CDC-257
—
—
—
259
CSU/CDC-259
—
—
—
260
CSU/CDC-260
C83H148O17P2
CL(74:7)
Glycero-
phospholipid
metabolism
261
CSU/CDC-261
—
—
—
wherein each molecular feature is identified by its mass to charge ratio;
and
(iv) inputting the abundance values from step (iii) into a classification model trained with samples of metabolite extracts derived from suitable controls, wherein if the molecular features of Table A or Table C are provided, the classification model is Least Absolute Shrinkage and Selection Operator (LASSO) and if the molecular features of Table D are provided, the classification model is Random Forest (RF), and wherein the classification model produces a disease score and the disease score distinguishes subjects with Lyme disease.

4,427 more elements

Dependencies are inferred from the claim text.

Facts

Application: 16/703,401Filed 4 Dec 2019 · continuation
Priority: 18 Jun 2017
Published: US 2020/0140915 A17 May 2020
Granted: 25 Jan 2022
Term ends: Not estimatedThe source records don’t support an estimate.

Classification11 codes

C12Q 1/04
Involving viable microorganisms: determining presence or kind of microorganism; Use of selective media for testing antibiotics or bacteriocides;…
G01N 33/56911
For microorganisms, e.g. protozoa, bacteria, viruses: bacteria
G01N 33/6848
General methods of protein analysis not limited to specific proteins or families of proteins: methods of protein analysis involving mass spectrometry
G01N 2333/20
From bacteria: from Spirochaetales , e.g. Treponema, Leptospira