US2022170066A1PendingUtilityA1
Differentiation of lyme disease and southern tick-associated rash illness
Individually held — no corporate assignee on recordPriority: Jun 8, 2017Filed: Nov 23, 2021Published: Jun 2, 2022
Est. expiryJun 8, 2037(~10.9 yrs left)· nominal 20-yr term from priority
Y02A50/30G01N 2333/20G01N 2800/20C12Q 1/04G01N 2800/26G01N 2560/00G01N 33/6848G01N 33/56911
50
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Claims
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.
Claims
exact text as granted — not AI-modifiedWhat is claimed is:
1 . A method for treating a subject in need thereof, wherein the subject is suspected as having Lyme disease or STARI, the method comprising:
(a) obtaining a disease score from a mass spectrometry based test; (b) diagnosing the subject with Lyme disease or STARI based on the disease score; and (c) if the subject is diagnosed with Lyme disease, 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; (d) if the subject is diagnosed with STARI, optionally administering a treatment to the subject diagnosed with STARI based on the disease score, wherein the treatment is a pharmacological treatment is selected from an antibiotic, an antibacterial agent, 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, wherein the subject has at least one symptom that is associated with Lyme disease or STARI; (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
Predicted
Retention
Chemical
m/z
Time
Compound
Structure (based
Metabolite
MF
(positive
(see
Predicted
on accurate
Class or
#
Name
ion)
Mass
examples)
Formula
mass)
Pathway
1
CSU/
166.0852
165.078
1.86
C 9 H 11 NO 2
Phenylalanine
Phenylalanine
CDC-001
metabolism
2
CSU/
270.3156
269.3076
18.02
C 18 H 39 N
—
—
CDC-012
3
CSU/
284.3314
283.3236
18.13
C 19 H 41 N
—
—
CDC-013
4
CSU/
300.6407
599.268
18.27
C 33 H 37 N 5 O 6
Asp Phe Arg Tyr
Peptide
CDC-014
(SEQ ID NO: 1)
5
CSU/
300.2892
299.2821
19.66
C 18 H 37 NO 2
Palmitoyl
N-acyl
CDC-019
ethanolamide
ethanolamine
metabolism
6
CSU/
734.5079
1449.9753
17.81
—
—
—
CDC-039
7
CSU/
370.1837
369.1757
19.7
C 19 H 23 N 5 O 3
—
—
CDC-062
8
CSU/
811.1942
810.1869
12.07
C 42 H 30 N 6 O 12
—
—
CDC-066
9
CSU/
947.7976
946.7936
14.55
C 62 H 106 O 6
TAG (59:7)
Triacylglycerol
CDC-067
metabolism
10
CSU/
410.2033
409.196
17.18
—
—
—
CDC-072
11
CSU/
1487.0005
1485.9987
18.17
—
—
—
CDC-075
12
CSU/
137.0463
136.0378
1.37
C 4 H 8 O 5
Threonate
Sugar
CDC-086
metabolite
13
CSU/
811.7965
810.7882
12.07
—
—
—
CDC-107
14
CSU/
616.1776
615.1699
15.43
—
—
—
CDC-132
15
CSU/
713.4492
712.4391
19.35
C 38 H 65 O 10 P
PG (32:5)
Glycero-
CDC-152
phospholipid
metabolism
16
CSU/
502.3376
484.3039
19.87
C 27 H 40 N 4 O 4
Gln Leu Pro Lys
Peptide
CDC-155
(SEQ ID NO: 2)
17
CSU/
415.3045
414.2978
20.19
—
—
—
CDC-158
18
CSU/
366.3729
365.3655
22.79
—
—
—
CDC-164
19
CSU/
333.1446
332.1373
12.89
C 12 H 20 N 4 O 7
Glu Gln Gly
Peptide
CDC-166
20
CSU/
241.1069
240.0996
14.7
C 12 H 16 O 5
3-Carboxy-4-
Fatty acid
CDC-205
methyl-5-propyl-2-
metabolism
furanpropanoic
acid (CMPF)
21
CSU/
464.1916
463.1849
13.05
C 16 H 29 N 7 O 7 S
Arg Asp Cys Ala
Peptide
CDC-211
(SEQ ID NO: 3)
22
CSU/
1249.2045
1248.1993
15.31
—
—
—
CDC-212
23
CSU/
1248.9178
1247.9141
15.3
—
—
—
CDC-213
24
CSU/
158.1539
157.1466
15.36
—
—
—
CDC-219
25
CSU/
529.3381
528.3296
16.89
C 24 H 44 N 6 O 7
Gln Val Leu Leu
Peptide
CDC-227
Gly
(SEQ ID NO: 4)
26
CSU/
282.2776
264.2456
20.56
C 18 H 32 O
—
—
CDC-229
27
CSU/
190.1260
189.1187
14.12
C 9 H 19 NOS
8-
2-
CDC-235
Methylthiooctanal
oxocarboxylic
doxime
acid
metabolism
28
CSU/
382.3675
381.3603
20.23
C 24 H 47 NO 2
Erucicoyl
N-acyl
CDC-238
ethanolamide
ethanolamine
metabolism
29
CSU/
477.2968
476.2898
22.79
C 31 H 40 O 4
Lys Lys Thr Thr
Peptide
CDC-244
(SEQ ID NO: 5)
30
CSU/
459.3968
458.3904
19.08
—
—
—
CDC-248
31
CSU/
342.2635
341.2565
15.62
C 19 H 35 NO 4
—
—
CDC-253
32
CSU/
529.3827
1022.6938
17.86
—
—
—
CDC-254
33
CSU/
459.2502
458.2429
19.02
C 23 H 39 O 7 P
Lyso PA (20:4)
Glycero-
CDC-258
hospholipid
metabolism
34
CSU/
239.0919
238.0844
11.66
C 12 H 14 O 5
Trans-2, 3, 4-
Phenylpropanoid
CDC-002
trimethoxy-
and
cinnamate
polyketide
metabolism
35
CSU/
389.2174
388.2094
15.47
C 19 H 32 O 8
Methyl
Fatty acid
CDC-028
10,12,13,15-
metabolism
bisepidioxy-16-
hydroperoxy-8E-
octadecenoate
36
CSU/
285.2065
284.1991
16.02
C 16 H 28 O 4
—
—
CDC-182
37
CSU/
279.1693
278.1629
11.05
C 15 H 22 N 2 O 3
Phe Leu
Dipeptide
CDC-204
38
CSU/
714.6967
1427.3824
11.76
—
—
—
CDC-247
TABLE C
Predicted
Retention
Chemical
m/z
Time
Compound
Structure
Metabolite
MF
(positive
(see
Predicted
(based on
Class or
#
Name
ion)
Mass
examples)
Formula
accurate mass)
Pathway
1
CSU/
166.0852
165.078
1.86
C 9 H 11 NO 2
Phenylalanine
Phenylalanine
CDC-001
metabolism
2
CSU/
270.3156
269.3076
18.02
C 18 H 39 N
—
—
CDC-012
3
CSU/
284.3314
283.3236
18.13
C 19 H 41 N
—
—
CDC-013
4
CSU/
300.6407
599.268
18.27
C 33 H 37 N 5 O 6
Asp Phe Arg Tyr
Peptide
CDC-014
(SEQ ID NO: 1)
5
CSU/
300.2892
299.2821
19.66
C 18 H 37 NO 2
Palmitoyl
N-acyl
CDC-019
ethanolamide
ethanolamine
metabolism
6
CSU/
734.5079
1449.9753
17.81
—
—
—
CDC-039
7
CSU/
370.1837
369.1757
19.7
C 19 H 23 N 5 O 3
—
—
CDC-062
8
CSU/
811.1942
810.1869
12.07
C 42 H 30 N 6 O 12
—
—
CDC-066
9
CSU/
947.7976
946.7936
14.55
C 62 H 106 O 6
TAG (59:7)
Triacylglycerol
CDC-067
metabolism
10
CSU/
410.2033
409.196
17.18
—
—
—
CDC-072
11
CSU/
1487.0005
1485.9987
18.17
—
—
—
CDC-075
12
CSU/
137.0463
136.0378
1.37
C 4 H 8 O 5
Threonate
Sugar
CDC-086
metabolite
13
CSU/
811.7965
810.7882
12.07
—
—
—
CDC-107
14
CSU/
616.1776
615.1699
15.43
—
—
—
CDC-132
15
CSU/
713.4492
712.4391
19.35
C 38 H 65 O 10 P
PG (32:5)
Glycero-
CDC-152
phospholipid
metabolism
16
CSU/
502.3376
484.3039
19.87
C 27 H 40 N 4 O 4
Gln Leu Pro Lys
Peptide
CDC-155
(SEQ ID NO: 2)
17
CSU/
415.3045
414.2978
20.19
—
—
—
CDC-158
18
CSU/
366.3729
365.3655
22.79
—
—
—
CDC-164
19
CSU/
333.1446
332.1373
12.89
C 12 H 20 N 4 O 7
Glu Gln Gly
Peptide
CDC-166
20
CSU/
241.1069
240.0996
14.7
C 12 H 16 O 5
3-Carboxy-4-
Fatty acid
CDC-205
methy1-5-propyl-
metabolism
2-furanpropanoic
acid (CMPF)
21
CSU/
464.1916
463.1849
13.05
C 16 H 29 N 7 O 7 S
Arg Asp Cys Ala
Peptide
CDC-211
(SEQ ID NO: 3)
22
CSU/
1249.2045
1248.1993
15.31
—
—
—
CDC-212
23
CSU/
1248.9178
1247.9141
15.3
—
—
—
CDC-213
24
CSU/
158.1539
157.1466
15.36
—
—
—
CDC-219
25
CSU/
529.3381
528.3296
16.89
C 24 H 44 N 6 O 7
Gln Val Leu Leu
Peptide
CDC-227
Gly
(SEQ ID NO: 4)
26
CSU/
282.2776
264.2456
20.56
C 18 H 32 O
—
—
CDC-229
27
CSU/
190.1260
189.1187
14.12
C 9 H 19 NOS
8-
2-
CDC-235
Methylthiooctanal
oxocarboxylic
doxime
acid
metabolism
28
CSU/
382.3675
381.3603
20.23
C 24 H 47 NO 2
Erucicoyl
N-acyl
CDC-238
ethanolamide
ethanolamine
metabolism
29
CSU/
477.2968
476.2898
22.79
C 31 H 40 O 4
Lys Lys Thr Thr
Peptide
CDC-244
(SEQ ID NO: 5)
30
CSU/
459.3968
458.3904
19.08
—
—
—
CDC-248
31
CSU/
342.2635
341.2565
15.62
C 19 H 35 NO 4
—
—
CDC-253
32
CSU/
529.3827
1022.6938
17.86
—
—
—
CDC-254
33
CSU/
459.2502
458.2429
19.02
C 23 H 39 O 7 P
Lyso PA (20:4)
Glycero-
CDC-258
hospholipid
metabolism
34
CSU/
886.4296
1770.8438
12.18
—
—
—
CDC-003
35
CSU/
181.0859
180.0788
14.7
C 10 H 12 O 3
5′-(3′-Methoxy-4′-
Endogenous
CDC-004
hydroxphenyl)-
metabolite
gamma-
associated
valerolactone
with
microbiome
36
CSU/
286.1444
285.1371
16.08
C 17 H 19 NO 3
Piperine
Alkaloid
CDC-006
metabolism
37
CSU/
463.2339
462.2248
16.36
C 25 H 34 O 8
Ala Lys Met Asn
Peptide
CDC-008
(SEQ ID NO: 6)
38
CSU/
242.2844
241.2772
17.1
C 16 H 35 N
—
—
CDC-009
39
CSU/
590.4237
589.4194
19.24
—
—
—
CDC-017
40
CSU/
553.3904
552.3819
23.38
C 35 H 52 O 5
Furohyperforin
Endogenous
CDC-026
metabolite-
derived from
food
41
CSU/
399.2364
398.2313
16.23
—
—
—
CDC-030
42
CSU/
580.4144
1158.8173
18.26
—
—
—
CDC-042
43
CSU/
704.4985
1372.925
18.7
—
—
—
CDC-052
44
CSU/
623.4521
1210.8362
19.55
—
—
—
CDC-061
45
CSU/
389.2178
388.2099
15.52
C 19 H 32 O 8
—
—
CDC-070
CSU/
1111.6690
1110.6656
17.89
—
—
—
46
CDC-074
47
CSU/
482.4040
481.3976
19.99
—
—
—
CDC-083
48
CSU/
533.1929
532.1854
20.84
C 23 H 28 N 6 O 9
Asp His Phe Asp
Peptide
CDC-084
(SEQ ID NO: 7)
49
CSU/
466.3152
465.3085
14.73
C 26 H 43 NO 6
Glycocholic acid
Bile acid
CDC-087
metabolism
50
CSU/
683.4728
1347.9062
17.56
—
—
—
CDC-091
51
CSU/
227.0897
204.1002
9.68
C 9 H 16 O 5
—
—
CDC-095
52
CSU/
183.1016
182.0943
10.89
C 10 H 14 O 3
—
—
CDC-098
53
CSU/
476.3055
475.2993
11.09
C 26 H 41 N 3 O 5
—
—
CDC-099
54
CSU/
215.1283
214.1209
12.32
C 11 H 18 O 4
alpha-Carboxy-
Endogenous
CDC-112
delta-
metabolite-
decalactone
derived from
food
55
CSU/
519.1881
518.1813
12.33
C 20 H 30 N 4 O 12
Poly-g-D-
Poly D-
CDC-115
glutamate
glutamate
metabolism
56
CSU/
1086.1800
2170.3435
15.38
—
—
—
CDC-128
57
CSU/
285.2061
284.1993
15.99
C 16 H 28 O 4
—
—
CDC-133
58
CSU/
357.1363
356.1284
15.98
C 20 H 20 O 6
Xanthoxylol
Endogenous
CDC-134
metabolite-
derived from
food
59
CSU/
299.1853
298.1781
16.24
C 16 H 26 O 5
Tetranor-PGE1
Prostaglandin
CDC-136
metabolism
60
CSU/
334.2580
333.2514
16.36
—
—
—
CDC-137
61
CSU/
317.2317
316.2254
16.63
—
—
—
CDC-138
62
CSU/
331.2471
330.2403
17.26
C 18 H 34 O 5
11,12,13-
Fatty acid
CDC-141
trihydroxy-9-
metabolism
octadecenoic
acid
63
CSU/
583.3480
582.3379
18.04
C 27 H 46 N 6 O 8
Leu Lys Glu Pro
Peptide
CDC-144
Pro
(SEQ ID NO: 8)
64
CSU/
648.4672
647.4609
19.98
C 34 H 66 NO 8 P
PE (29:1)
Glycero-
CDC-157
phospholipid
metabolism
65
CSU/
445.2880
854.5087
12.48
C 45 H 74 O 15
(3b,21b)-12-
Endogenous
CDC-165
Oleanene-
metabolite-
3,21,28-triol 28-
derived from
[arabinosyl-(1-
food
>3)-arabinosyl-
(1->3)-
arabinoside]
66
CSU/
1486.7386
2971.4668
14.97
—
—
—
CDC-181
67
CSU/
668.4686
1317.8969
18.04
C 16 H 28 O 4
Omphalotin A
Endogenous
CDC-183
metabolite-
derived from
food
68
CSU/
454.2924
436.2587
18.1
C 21 H 41 O 7 P
Lyso-PA (18:1)
Glycero-
CDC-184
phospholipid
metabolism
69
CSU/
607.9324
606.9246
19.01
—
—
—
CDC-186
70
CSU/
521.4202
503.3858
21.06
—
—
—
CDC-188
71
CSU/
176.0746
175.0667
2.31
—
—
—
CDC-193
72
CSU/
596.9082
1191.8033
19.1
—
—
—
CDC-194
73
CSU/
532.5606
531.5555
18.38
—
—
—
CDC-203
74
CSU/
337.1667
336.1599
20.67
C 12 H 24 N 4 O 7
—
—
CDC-206
75
CSU/
415.1634
207.0784
12.2
C 8 H 9 N 5 O 2
6-Amino-9H-
Endogenous
CDC-210
purine-9-
metabolite-
propanoic acid
derived from
food
76
CSU/
364.3407
346.3068
20.72
—
—
—
CDC-218
77
CSU/
989.5004
1976.9858
12.03
—
—
—
CDC-222
78
CSU/
819.6064
1635.8239
12.06
—
—
—
CDC-224
79
CSU/
286.2737
285.2666
19.08
C 17 H 35 NO 2
Pentadecanoyl
N-acyl
CDC-237
ethanolamide
ethanolamine
metabolism
80
CSU/
614.4833
613.4772
19.78
—
—
—
CDC-245
81
CSU/
298.2740
297.2668
16.44
C 18 H 35 NO 2
3-Ketospingosine
Sphingolipid
CDC-250
metabolism
82
CSU/
1003.7020
1002.696
18.46
—
—
—
CDC-252
TABLE D
Predicted
Retention
Chemical
m/z
Time
Compound
Structure
Metabolite
MF
(positive
(see
Predicted
(based on
Class or
#
Name
ion)
Mass
examples)
Formula
accurate mass)
Pathway
1
CSU/
166.0852
165.07 8
1.86
C 9 H 11 NO 2
Phenylalanine
Phenylalanine
CDC-001
metabolism
2
CSU/
270.3156
269.3076
18.02
C 18 H 39 N
—
—
CDC-012
3
CSU/
284.3314
283.3236
18.13
C 19 H 41 N
—
—
CDC-013
4
CSU/
300.6407
599.268
18.27
C 33 H 37 N 5 O 6
Asp Phe Arg Tyr
Peptide
CDC-014
(SEQ ID NO: 1)
5
CSU/
300.2892
299.2821
19.66
C 18 H 37 NO 2
Palmitoyl
N-acyl
CDC-019
ethanolamide
ethanolamine
metabolism
6
CSU/
734.5079
1449.9753
17.81
—
—
—
CDC-039
7
CSU/
370.1837
369.1757
19.7
C 19 H 23 N 5 O 3
—
—
CDC-062
8
CSU/
811.1942
810.1869
12.07
C 42 H 30 N 6 O 12
—
—
CDC-066
9
CSU/
947.7976
946.7936
14.55
C 62 H 106 O 6
TAG (59:7)
Triacylglycerol
CDC-067
metabolism
10
CSU/
410.2033
409.196
17.18
—
—
—
CDC-072
11
CSU/
1487.0005
1485.9987
18.17
—
—
—
CDC-075
12
CSU/
137.0463
136.0378
1.37
C 4 H 8 O 5
Threonate
Sugar
CDC-086
metabolite
13
CSU/
811.7965
810.7882
12.07
—
—
—
CDC-107
14
CSU/
616.1776
615.1699
15.43
—
—
—
CDC-132
15
CSU/
713.4492
712.4391
19.35
C 38 H 65 O 10 P
PG (32:5)
Glycero-
CDC-152
phospholipid
metabolism
16
CSU/
502.3376
484.3039
19.87
C 27 H 40 N 4 O 4
Gln Leu Pro Lys
Peptide
CDC-155
(SEQ ID NO: 2)
17
CSU/
415.3045
414.2978
20.19
—
—
—
CDC-158
18
CSU/
366.3729
365.3655
22.79
—
—
—
CDC-164
19
CSU/
333.1446
332.1373
12.89
C 12 H 20 N 4 O 7
Glu Gln Gly
Peptide
CDC-166
20
CSU/
241.1069
240.0996
14.7
C 12 H 16 O 5
3-Carboxy-4-
Fatty acid
CDC-205
methy1-5-propyl-
metabolism
2-furanpropanoic
acid (CMPF)
21
CSU/
464.1916
463.1849
13.05
C 16 H 29 N 7 O 7 S
Arg Asp Cys Ala
Peptide
CDC-211
(SEQ ID NO: 3)
22
CSU/
1249.2045
1248.1993
15.31
—
—
—
CDC-212
23
CSU/
1248.9178
1247.9141
15.3
—
—
—
CDC-213
24
CSU/
158.1539
157.1466
15.36
—
—
—
CDC-219
25
CSU/
529.3381
528.3296
16.89
C 24 H 44 N 6 O 7
Gln Val Leu Leu Gly
Peptide
CDC-227
(SEQ ID NO: 4)
26
CSU/
282.2776
264.2456
20.56
C 18 H 32 O
—
—
CDC-229
CSU/
190.1260
189.1187
14.12
C 9 H 19 NOS
8-
2-
CDC-235
Methylthiooctanal
oxocarboxylic
27
doxime
acid
metabolism
28
CSU/
382.3675
381.3603
20.23
C 24 H 47 NO 2
Erucicoyl
N-acyl
CDC-238
ethanolamide
ethanolamine
metabolism
29
CSU/
477.2968
476.2898
22.79
C 31 H 40 O 4
Lys Lys Thr Thr
Peptide
CDC-244
(SEQ ID NO: 5)
30
CSU/
459.3968
458.3904
19.08
—
—
—
CDC-248
31
CSU/
342.2635
341.2565
15.62
C 19 H 35 NO 4
—
—
CDC-253
32
CSU/
529.3827
1022.6938
17.86
—
—
—
CDC-254
33
CSU/
459.2502
458.2429
19.02
C 23 H 39 O 7 P
Lyso PA (20:4)
Glycero-
CDC-258
hospholipid
metabolism
34
CSU/
239.0919
238.0844
11.66
C 12 H 14 O 5
Trans-2, 3, 4-
Phenyl-
CDC-002
trimethoxycinnamate
propanoid and
polyketide
metabolism
CSU/
389.2174
388.2094
15.47
C 19 H 32 O 8
Methyl
Fatty acid
CDC-028
10,12,13,15-
metabolism
35
bisepidioxy-16-
hydroperoxy-8E-
octadecenoate
36
CSU/
285.2065
284.1991
16.02
C 16 H 28 O 4
—
—
CDC-182
37
CSU/
279.1693
278.1629
11.05
C 15 H 22 N 2 O 3
Phe Leu
Dipeptide
CDC-204
38
CSU/
714.6967
1427.3824
11.76
—
—
—
CDC-247
39
CSU/
886.4296
1770.8438
12.18
—
—
—
CDC-003
40
CSU/
181.0859
180.0788
14.7
C 10 H 12 O 3
5′-(3′-Methoxy-4′-
Endogenous
CDC-004
hydroxyphenyl)-
metabolite
gamma-
associated
valerolactone
with
microbiome
41
CSU/
286.1444
285.1371
16.08
C 17 H 19 NO 3
Piperine
Alkaloid
CDC-006
metabolism
42
CSU/
463.2339
462.2248
16.36
C 25 H 34 O 8
Ala Lys Met Asn
Peptide
CDC-008
(SEQ ID NO: 6)
43
CSU/
242.2844
241.2772
17.1
C 16 H 35 N
—
—
CDC-009
44
CSU/
590.4237
589.4194
19.24
—
—
—
CDC-017
45
CSU/
553.3904
552.3819
23.38
C 35 H 52 O 5
Furohyperforin
Endogenous
CDC-026
metabolite-
derived from
food
46
CSU/
399.2364
398.2313
16.23
—
—
—
CDC-030
47
CSU/
580.4144
1158.8173
18.26
—
—
—
CDC-042
48
CSU/
704.4985
1372.925
18.7
—
—
—
CDC-052
49
CSU/
623.4521
1210.8362
19.55
CDC-061
—
—
—
50
CSU/
389.2178
388.2099
15.52
C 19 H 32 O 8
—
—
CDC-070
51
CSU/
1111.6690
1110.6656
17.89
—
—
—
CDC-074
52
CSU/
482.4040
481.3976
19.99
—
—
—
CDC-083
53
CSU/
533.1929
532.1854
20.84
C 23 H 28 N 6 O 9
Asp His Phe Asp
Peptide
CDC-084
(SEQ ID NO: 7)
54
CSU/
466.3152
465.3085
14.73
C 26 H 43 NO 6
Glycocholic acid
Bile acid
CDC-087
metabolism
55
CSU/
683.4728
1347.9062
17.56
—
—
—
CDC-091
56
CSU/
227.0897
204.1002
9.68
C 9 H 16 O 5
—
—
CDC-095
57
CSU/
183.1016
182.0943
10.89
C 10 H 14 O 3
—
—
CDC-098
58
CSU/
476.3055
475.2993
11.09
C 26 H 41 N 3 O 5
—
—
CDC-099
59
CSU/
215.1283
214.1209
12.32
C 11 H 18 O 4
alpha-Carboxy-
Endogenous
CDC-112
delta-
metabolite-
decalactone
derived from
food
60
CSU/
519.1881
518.1813
12.33
C 20 H 30 N 4 O 12
Poly-g-D-
Poly D-
CDC-115
glutamate
glutamate
metabolism
61
CSU/
1086.1800
2170.3435
15.38
—
—
—
CDC-128
62
CSU/
285.2061
284.1993
15.99
C 16 H 28 O 4
—
—
CDC-133
63
CSU/
357.1363
356.1284
15.98
C 20 H 20 O 6
Xanthoxylol
Endogenous
CDC-134
metabolite-
derived from
food
64
CSU/
299.1853
298.1781
16.24
C 16 H 26 O 5
Tetranor-PGE1
Prostaglandin
CDC-136
metabolism
65
CSU/
334.2580
333.2514
16.36
—
—
—
CDC-137
66
CSU/
317.2317
316.2254
16.63
—
—
—
CDC-138
67
CSU/
331.2471
330.2403
17.26
C 18 H 34 O 5
11,12,13-
Fatty acid
CDC-141
trihydroxy-9-
metabolism
octadecenoic
acid
68
CSU/
583.3480
582.3379
18.04
C 27 H 46 N 6 O 8
Leu Lys Glu Pro Pro
Peptide
CDC-144
(SEQ ID NO: 8)
69
CSU/
648.4672
647.4609
19.98
C 34 H 66 NO 8 P
PE (29:1)
Glycero-
CDC-157
phospholipid
metabolism
70
CSU/
445.2880
854.5087
12.48
C 45 H 74 O 15
(3b,21b)-12-
Endogenous
CDC-165
Oleanene-
metabolite-
3,21,28-triol 28-
derived from
[arabinosyl-(1-
food
>3)-arabinosyl-
(1->3)-
arabinoside]
71
CSU/
1486.7386
2971.4668
14.97
—
—
—
CDC-181
72
CSU/
668.4686
1317.8969
18.04
C 16 H 28 O 4
Omphalotin A
Endogenous
CDC-183
metabolite-
derived from
food
73
CSU/
454.2924
436.2587
18.1
C 21 H 41 O 7 P
Lyso-PA (18:1)
Glycero-
CDC-184
phospholipid
metabolism
74
CSU/
607.9324
606.9246
19.01
—
—
—
CDC-186
75
CSU/
521.4202
503.3858
21.06
—
—
—
CDC-188
76
CSU/
176.0746
175.0667
2.31
—
—
—
CDC-193
77
CSU/
596.9082
1191.8033
19.1
—
—
—
CDC-194
78
CSU/
532.5606
531.5555
18.38
—
—
—
CDC-203
79
CSU/
337.1667
336.1599
20.67
C 12 H 24 N 4 O 7
—
—
CDC-206
80
CSU/
415.1634
207.0784
12.2
C 8 H 9 N 5 O 2
6-Amino-9H-
Endogenous
CDC-210
purine-9-
metabolite-
propanoic acid
derived from
food
81
CSU/
364.3407
346.3068
20.72
—
—
—
CDC-218
82
CSU/
989.5004
1976.9858
12.03
—
—
—
CDC-222
83
CSU/
819.6064
1635.8239
12.06
—
—
—
CDC-224
84
CSU/
286.2737
285.2666
19.08
C 17 H 35 NO 2
Pentadecanoyl
N-acyl
CDC-237
ethanolamide
ethanolamine
metabolism
85
CSU/
614.4833
613.4772
19.78
—
—
—
CDC-245
86
CSU/
298.2740
297.2668
16.44
C 18 H 35 NO 2
3-Ketospingosine
Sphingolipid
CDC-250
metabolism
87
CSU/
1003.7020
1002.696
18.46
—
—
—
CDC-252
88
CSU/
223.0968
222.0895
14.69
C 12 H 14 O 4
—
—
CDC-005
89
CSU/
286.1437
285.1364
16.06
C 17 H 19 NO 3
—
—
CDC-007
90
CSU/
1112.6727
1111.6663
17.86
—
—
—
CDC-010
91
CSU/
454.2923
453.2867
18.08
C 21 H 44 NO 7 P
Glycerophospho-
N-acyl
CDC-011
N-Palmitoyl
ethanolamine
Ethanolamine
metabolism
92
CSU/
522.3580
521.3483
18.5
C 26 H 52 NO 7 P
PC (18:1)
Glycero-
CDC-015
phospholipid
metabolism
93
CSU/
363.2192
362.2132
18.58
C 21 H 30 O 5
4,50-
Sterol
CDC-016
dihydrocortisone
metabolism
94
CSU/
388.3939
387.3868
19.53
—
—
—
CDC-018
95
CSU/
256.2632
255.2561
20.08
C 16 H 33 NO
Palmitic amide
Primary Fatty
CDC-020
Acid Amide
Metabolism
96
CSU/
394.3515
376.3171
20.09
—
—
—
CDC-021
97
CSU/
228.1955
227.1885
20.99
—
—
—
CDC-022
98
CSU/
284.2943
283.2872
21.15
C 18 H 37 NO
Stearamide
Primary Fatty
CDC-023
Acid Amide
Metabolism
99
CSU/
338.3430
337.3344
22.14
C 22 H 43 NO
13Z-
Primary Fatty
CDC-024
Docosenamide
Acid Amide
(Erucamide)
Metabolism
100
CSU/
689.5604
688.5504
22.52
C 38 H 77 N 2 O 6 P
SM(d18:1-15:0)/
Sphingolipid
CDC-025
SM(d18:1/14:1-OH)
metabolism
101
CSU/
432.2803
431.2727
10.8
C 25 H 37 NO 5
Ala Ile Lys Thr
Peptide
CDC-027
(SEQ ID NO: 9)
102
CSU/
385.2211
384.2147
15.84
C 16 H 28 N 6 O 5
Lys His Thr
Peptides
CDC-029
103
CSU/
449.3261
879.6122
17.07
C 46 H 89 NO 12 S
C22-OH
Sphingolipid
CDC-031
Sulfatide
metabolism
104
CSU/
467.3821
444.2717
17.1
C 24 H 40 O 8
2-glyceryl-6-keto-
Prostaglandin
CDC-032
PGF1α
metabolism
105
CSU/
836.5936
835.5845
17.15
C 44 H 85 NO 11 S
C20 Sulfatide
Sphingolipid
CDC-033
metabolism
106
CSU/
792.5646
791.5581
17.17
C 42 H 82 NO 10 P
PS (36:0)
Glycero-
CDC-034
phospholipid
metabolism
107
CSU/
356.2802
355.2722
17.35
—
—
—
CDC-035
108
CSU/
806.5798
805.5746
17.71
C 43 H 84 NO 10 P
PS (37:0)
Glycero-
CDC-036
phospholipid
metabolism
109
CSU/
762.5582
761.5482
17.79
C 41 H 80 NO 9 P
PS-O (35:1)
Glycero-
CDC-037
phospholipid
metabolism
110
CSU/
718.5308
700.4946
17.88
C 39 H 7 3O 8 P
PA (36:2)
Glycero-
CDC-038
phospholipid
metabolism
111
CSU/
690.4825
1361.924
17.95
—
—
—
CDC-040
112
CSU/
426.1798
425.1725
18.03
—
—
—
CDC-041
113
CSU/
741.5154
1481.0142
18.24
C 83 H 150 O 17 P 2
CL (74:6)
Glycero-
CDC-043
phospholipid
metabolism
114
CSU/
864.6245
863.6166
18.17
C 46 H 89 NO 11 S
C22 Sulfatide
Sphingolipid
CDC-044
metabolism
115
CSU/
558.4017
1080.7347
18.28
—
—
—
CDC-045
116
CSU/
719.5012
1402.9377
18.26
—
—
—
CDC-046
117
CSU/
536.3897
1053.7382
18.36
—
—
—
CDC-047
118
CSU/
538.8674
1058.696
18.4
—
—
—
CDC-048
119
CSU/
653.4619
1270.8593
18.43
—
—
—
CDC-049
120
CSU/
732.5450
714.5092
18.47
C 40 H 75 O 8 P
PA (37:2)
Glycero-
CDC-050
phospholipid
metabolism
121
CSU/
748.5232
1478.0059
18.58
—
—
—
CDC-051
122
CSU/
682.4841
1328.9008
18.77
—
—
—
CDC-053
123
CSU/
360.3615
359.3555
18.89
—
—
—
CDC-054
124
CSU/
441.2412
440.2325
19.09
C 20 H 132 N 4 O 7
Pro Asp Pro Leu
Peptide
CDC-055
(SEQ ID NO: 10)
125
CSU/
638.4554
1240.847
18.92
—
—
—
CDC-056
126
CSU/
755.5311
1474.9941
18.94
C 83 H 144 O 17 P 2
CL (74:9)
Glycero-
CDC-057
phospholipid
metabolism
127
CSU/
711.5023
1386.9417
19.09
—
—
—
CDC-058
128
CSU/
784.5530
1567.0908
19.27
—
—
—
CDC-059
129
CSU/
645.4660
1271.8896
19.36
—
—
—
CDC-060
130
CSU/
300.2886
282.2569
19.84
C 18 H 34 O 2
13Z-
Fatty acid
CDC-063
octadecenoic
metabolism
acid
131
CSU/
309.0981
308.0913
2.06
C 15 H 16 O 7
—
—
CDC-064
132
CSU/
561.2965
1120.5778
11.7
C 54 H 88 O 24
Camellioside D
Endogenous
CDC-065
metabolite-
derived from
food
133
CSU/
1106.2625
2209.5193
14.53
—
—
CDC-068
134
CSU/
371.2070
370.1997
15.52
C 15 H 26 N 6 O 7
His Ser Lys
Peptide
CDC-069
135
CSU/
443.2649
442.256
15.52
C 19 H 34 N 6 O 6
Pro Gln Ala Lys
Peptide
CDC-071
(SEQ ID NO: 11)
136
CSU/
850.6093
849.6009
17.63
C 48 H 84 NO 9 P
PS-O (42:6)
Glycero-
CDC-073
phospholipid
metabolism
137
CSU/
697.4896
1358.909
18.32
—
—
—
CDC-076
138
CSU/
439.8234
877.6325
18.71
—
—
—
CDC-077
139
CSU/
567.8897
566.8818
18.73
—
—
—
CDC-078
140
CSU/
435.2506
434.243
19
C 21 H 39 O 7 P
Lyso-PA (18:2)
Glycero-
CDC-079
phospholipid
metabolism
141
CSU/
834.6136
833.6057
18.83
C 45 H 88 NO 10 P
PS (39:0)
Glycero-
CDC-080
phospholipid
metabolism
142
CSU/
534.8834
533.8771
18.82
—
—
—
CDC-081
143
CSU/
468.8441
467.8373
19.13
—
—
—
CDC-082
144
CSU/
312.3259
311.319
22.05
—
—
—
CDC-085
145
CSU/
228.1955
227.1884
15.22
—
—
—
CDC-088
146
CSU/
385.2211
384.2143
15.83
C 20 H 32 O 7
Lys His Thr
Peptide
CDC-089
147
CSU/
403.2338
402.2253
15.84
C 16 H 30 N 6 O 6
Lys Gln Gln
Peptide
CDC-090
148
CSU/
675.4753
1348.9377
18.37
—
—
—
CDC-092
149
CSU/
682.4841
1345.9257
18.76
—
—
—
CDC-093
150
CSU/
762.5401
1506.0367
19.36
—
—
—
CDC-094
151
CSU/
189.1122
188.1049
12.27
C 9 H 14 O 4
Nonanedioic Acid
Fatty acid
CDC-177
metabolism
152
CSU/
169.0860
168.0786
9.94
C 9 H 12 O 3
2,6-Dimethoxy-4-
Endogenous
CDC-097
methylphenol
metabolite-
derived from
food
153
CSU/
276.1263
275.1196
11.16
C 15 H 17 NO 4
—
—
CDC-100
154
CSU/
314.0672
313.06
11.56
C 10 H 12 N 5 O 5 P
—
—
CDC-101
155
CSU/
201.1122
200.1047
11.56
C 10 H 16 O 4
Decenedioic acid
Fatty acid
CDC-102
metabolism
156
CSU/
115.0391
114.0318
11.57
C 5 H 6 O 3
2-Hydroxy-2,4-
Phenylalanine
CDC-103
pentadienoate
metabolism
157
CSU/
491.1569
490.1504
11.56
C 24 H 26 O 11
—
—
CDC-104
158
CSU/
241.1054
218.1157
11.57
C 10 H 18 O 5
3-Hydroxy-
Fatty acid
CDC-105
sebacic acid
metabolism
159
CSU/
105.0914
104.0841
11.57
—
—
—
CDC-106
160
CSU/
311.1472
328.1391
12.22
C 18 H 20 N 2 O 4
Phe Tyr
Peptide
CDC-108
161
CSU/
271.1543
270.1464
12.24
—
—
—
CDC-109
162
CSU/
169.0860
168.0787
12.24
C 9 H 1 2O 3
2,6-Dimethoxy-4-
Endogenous
CDC-110
methylphenol
metabolite-
derived from
food
163
CSU/
187.0967
186.0889
12.24
C 9 H 14 O 4
—
—
CDC-111
164
CSU/
475.1635
474.1547
12.25
C 25 H 22 N 4 O 6
His Cys Asp Thr
Peptide
CDC-113
(SEQ ID NO: 12)
165
CSU/
129.0547
128.0474
12.33
C 6 H 8 O 3
(4E)-2-
Fatty acid
CDC-114
Oxohexenoic
metabolism
acid
166
CSU/
125.0599
124.0527
13.12
C 7 H 8 O 2
4-Methylcatechol
Catechol
CDC-116
metabolism
167
CSU/
247.1550
246.1469
13.13
C 12 H 22 O 5
3-Hydroxy-
Fatty acid
CDC-117
dodecanedioic
metabolism
acid
168
CSU/
517.2614
516.2544
13.13
C 21 H 36 N 6 O 9
Gln Glu Gln Ile
Peptide
CDC-118
(SEQ ID NO: 13)
169
CSU/
301.0739
300.0658
13.14
C 16 H 12 O 6
Chrysoeriol
Endogenous
CDC-119
metabolite-
derived from
food
170
CSU/
327.1773
304.1885
14.17
C 16 H 24 N 4 O 2
—
—
CDC-120
171
CSU/
387.2023
386.1935
14.51
C 19 H 30 O 8
Citroside A
Endogenous
CDC-121
metabolite-
derived from
food
172
CSU/
875.8451
1749.684
14.55
—
—
—
CDC-122
173
CSU/
737.5118
736.5056
14.52
C 42 H 73 O 8 P
PA (39:5)
Glycero-
CDC-123
phospholipid
metabolism
174
CSU/
1274.3497
1273.3481
14.96
—
—
—
CDC-124
175
CSU/
1274.2092
1273.2
14.96
—
—
—
CDC-125
176
CSU/
1486.5728
2971.1328
14.95
—
—
—
CDC-126
177
CSU/
965.3818
964.3727
15.37
—
—
—
CDC-127
129
CSU/
1086.0562
2170.0908
15.38
C 97 H 167 N 5 O 48
NeuAcalpha2-
Sphingolipid
CDC-178
3Galbeta1-
metabolism
3GalNAcbeta1-4
(9-0Ac-
NeuAcalpha2-
8NeuAcalpha2-
3)Galbeta1-
4Glcbeta-
Cer(d18:1/18:0)
179
CSU/
1086.4344
2169.8474
15.39
—
—
—
CDC-130
180
CSU/
1240.7800
1239.7712
15.38
—
—
—
CDC-131
181
CSU/
317.1956
316.1885
16.24
C 12 H 24 N 6 O 4
Arg Ala Ala
Peptide
CDC-135
182
CSU/
299.2219
298.2148
16.64
C 17 H 30 O 4
8E-
Fatty acid
CDC-139
Heptadecenedioic
metabolism
acid
183
CSU/
748.5408
747.5317
17.23
C 40 H 78 NO 9 P
PS-O (34:1)
Glycero-
CDC-140
phospholipid
metabolism
184
CSU/
712.4935
1422.9749
17.82
C 79 H 140 P 17 P 2
CL (70:7)
Glycero-
CDC-142
phospholipid
metabolism
185
CSU/
674.5013
673.4957
17.99
C 37 H 72 NP 7 P
PE-P (32:1)
Glycero-
CDC-143
phospholipid
metabolism
186
CSU/
677.9537
676.9478
18.36
—
—
—
CDC-145
187
CSU/
531.3522
530.3457
18.4
C 35 H 46 O 4
—
—
CDC-146
188
CSU/
585.2733
584.2649
18.39
C 33 H 36 N 4 O 6
15,16-
Bilirubin
CDC-147
Dihydrobiliverdin
breakdown
products-
Porphyrin
metabolism
189
CSU/
513.3431
512.3352
18.4
—
—
—
CDC-148
190
CSU/
611.9156
610.9073
18.59
—
—
—
CDC-149
191
CSU/
549.0538
531.0181
18.38
—
—
—
CDC-150
192
CSU/
755.5311
1509.0457
18.93
—
—
—
CDC-151
193
CSU/
599.4146
598.4079
19.59
C 40 H 54 O 4
Isomytiloxanthin
Isoflavinoid
CDC-153
194
CSU/
762.5029
761.4919
19.66
C 43 H 72 NO 8 P
PE (38:7)
Glycero-
CDC-154
phospholipid
metabolism
195
CSU/
741.4805
740.4698
19.96
C 40 H 69 O 10 P
PG (34:5)
Glycero-
CDC-156
phospholipid
metabolism
196
CSU/
516.3532
498.3199
20.27
C 23 H 42 N 6 O 6
Ala Leu Ala Pro Lys
Peptide
CDC-159
(SEQ ID NO: 14)
197
CSU/
769.5099
768.5018
20.53
C 42 H 73 O 10 P
PG (36:5)
Glycero-
CDC-160
phospholipid
metabolism
198
CSU/
862.5881
861.5818
20.86
—
—
—
CDC-161
199
CSU/
837.5358
836.5274
21.11
C 5 3H 72 O 8
Amitenone
Endogenous
CDC-162
metabolite-
derived from
food
200
CSU/
558.3995
540.367
21.44
C 26 H 48 N 6 O 6
Leu Ala Pro Lys Ile
Peptide
CDC-163
(SEQ ID NO: 15)
201
CSU/
1105.9305
2209.8462
14.53
—
—
—
CDC-167
202
CSU/
329.1049
328.0976
14.61
C 18 H 16 O 6
2-Oxo-3-
Phenylalanine
CDC-168
phenylpropanoic
metabolism
acid
203
CSU/
1241.2053
1240.2
15.38
—
—
—
CDC-169
204
CSU/
1088.6731
1087.6676
17.85
—
—
—
CDC-170
205
CSU/
667.4391
666.4323
20.35
C 37 H 63 O 8 P
PA (24:5)
Glycero-
CDC-171
phospholipid
metabolism
206
CSU/
133.0497
132.0423
11.57
C 5 H 8 O 4
2-Acetolactic
Pantothenate
CDC-172
acid
and CoA
Biosynthesis
Pathway
207
CSU/
259.1540
258.1469
11.75
—
—
—
CDC-173
208
CSU/
311.1472
288.1574
12.23
C 10 H 20 N 6 O 4
Asn Arg
Dipeptide
CDC-174
209
CSU/
147.0652
146.0579
12.33
C 6 H 10 O 4
α-Ketopantoic
Pantothenate
CDC-175
acid
and CoA
Biosynthesis
Pathway
210
CSU/
169.0860
168.0788
12.29
C 9 H 12 O3
Epoxyoxophorone
Endogenous
CDC-176
metabolite-
derived from
food
211
CSU/
187.0965
186.0894
9.93
C 9 H 14 O 4
5-
Endogenous
CDC-096
Butyltetrahydro-
metabolite-
2-oxo-3-
derived from
furancarboxylic
food
acid
212
CSU/
139.1116
138.1044
12.95
C 9 H 14 O 4
3,6-Nonadienal
Endogenous
CDC-178
metabolite-
derived from
food
213
CSU/
515.2811
514.2745
13.14
C 26 H 42 O 10
Cofaryloside
Endogenous
CDC-179
metabolite-
derived from
food
214
CSU/
283.1522
282.1444
13.93
C 25 H 42 N 2 O 7 S
Epidihydrophaseic
Endogenous
CDC-180
acid
metabolite -
derived from
food
215
CSU/
706.9750
705.9684
18.7
—
—
—
CDC-185
216
CSU/
834.5575
833.5502
20.32
—
—
—
CDC-187
217
CSU/
683.4727
1364.9294
17.54
—
—
—
CDC-189
218
CSU/
728.9890
1455.9633
18.63
—
—
—
CDC-190
219
CSU/
726.5104
1451.0035
18.64
C 18 H 14 4O 17 P 2
CL (72:7)
Glycero-
CDC-191
phospholipid
metabolism
220
CSU/
633.9280
632.9206
18.47
—
—
—
CDC-192
221
CSU/
209.0784
208.0713
9.92
C 17 H 24 O 3
Benzylsuccinate
Phenylpropanoic
CDC-195
acid
metabolism
222
CSU/
792.5483
1566.055
18.46
—
—
—
CDC-196
223
CSU/
618.9221
1218.8083
19.02
—
—
—
CDC-197
224
CSU/
549.0543
531.0189
18.37
—
—
—
CDC-198
225
CSU/
553.7262
552.7188
18.74
—
—
—
CDC-199
226
CSU/
756.0320
755.0266
18.95
—
—
—
CDC-200
227
CSU/
639.6307
638.6205
19.58
—
—
—
CDC-201
228
CSU/
753.4414
730.4513
19.37
C 42 H 67 O 8 P
PA (39:8)
Glycero-
CDC-202
phospholipid
metabolism
229
CSU/
328.3204
327.3148
20.72
C 20 H 41 NO 2
Stearoyl
N-acyl
CDC-207
ethanolamide
ethanolamine
metabolism
230
CSU/
514.3718
1009.7122
18.42
C 56 H 99 NO 14
3-O-acetyl-
Sphingolipid
CDC-208
sphingosine-
metabolism
2,3,4,6-tetra-O-
acetyl-
GalCer(d18:1/h2
2:0)
231
CSU/
630.4594
1241.8737
19.95
—
—
—
CDC-209
232
CSU/
244.2270
243.22
17.17
C 14 H 29 NO 2
Lauroyl
N-acyl
CDC-214
ethanolamide
ethanolamine
metabolism
233
CSU/
463.3426
924.6699
18.08
—
—
—
CDC-215
234
CSU/
468.3892
450.3553
19.17
C 31 H 46 O 2
—
—
CDC-216
235
CSU/
438.3787
420.3453
19.93
—
—
—
CDC-217
236
CSU/
792.0006
790.995
12.04
—
—
—
CDC-220
237
CSU/
792.2025
791.1947
12.04
—
—
—
CDC-221
238
CSU/
791.6016
790.594
12.04
—
—
—
CDC-223
239
CSU/
1115.5593
2228.1028
14.95
—
—
—
CDC-225
240
CSU/
1486.9176
2970.7976
14.96
—
—
—
CDC-226
241
CSU/
430.3161
412.2845
20.23
C 23 H 40 O 6
—
—
CDC-228
242
CSU/
297.2793
296.2734
20.66
C 19 H 36 O 2
Methyl oleate
Oleic acid
CDC-230
ester
243
CSU/
714.3655
1426.718
11.73
—
—
—
CDC-231
244
CSU/
714.5306
1427.0479
11.76
—
—
—
CDC-232
245
CSU/
989.7499
1977.4865
12.03
—
—
—
CDC-233
246
CSU/
221.0744
220.0672
13.7
C 7 H 12 N 2 O 6
L-beta-aspartyl-
Peptide
CDC-234
L-serine
247
CSU/
313.2734
312.2663
18.91
C 19 H 36 O 3
2-oxo-
Fatty acid
CDC-236
nonadecanoic
metabolism
acid
248
CSU/
337.2712
314.282
20.66
C 19 H 38 O 3
2-Hydroxy-
Fatty acid
CDC-239
nonadecanoic
metabolism
acid
249
CSU/
441.3687
440.3614
21.26
C 30 H 48 O 2
4,4-Dimethyl-
Sterol
CDC-240
14a-formyl-5a-
metabolism
cholesta-8,24-
dien-3b-ol
250
CSU/
425.3735
424.3666
21.5
C 30 H 48 O
Butyrospermone
Sterol
CDC-241
metabolism
251
CSU/
356.3517
355.3448
21.67
C 22 H 45 NO 2
Eicosanoyl
N-acyl
CDC-242
ethanolamide
ethanolamine
metabolism
252
CSU/
393.2970
370.3082
22.46
C 22 H 42 O 4
—
—
CDC-243
253
CSU/
167.9935
166.9861
13.2
C 7 H 5 NS 2
—
—
CDC-246
254
CSU/
677.6170
676.6095
20.71
C 47 H 80 O 2
Cholesterol ester
Sterol
CDC-249
(20:2)
metabolism
255
CSU/
460.2695
459.2627
16.87
C 26 H 37 NO 6
—
—
CDC-251
CSU/
630.4765
612.4417
18.11
—
—
—
256
CDC-255
257
CSU/
514.3734
1026.7281
18.41
—
—
—
CDC-256
258
CSU/
667.4754
1315.916
19.28
—
—
—
CDC-257
259
CSU/
516.8549
1031.6945
18.43
—
—
—
CDC-259
260
CSU/
740.5242
1479.0334
19.4
C 83 H 148 O 17 P 2
CL (74:7)
Glycero-
CDC-260
hospholipid
metabolism
261
CSU/
1104.0614
2206.1096
15.2
—
—
—
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 and STARI.
2 . The method of claim 1 , wherein an area under the curve (AUC) value for an ROC curve of the classification model is about 0.8 or greater.
3 . The method of claim 1 , wherein the classification model has a sensitivity from about 0.8 to about 1 and/or a specificity from about 0.8 to about 1, and optionally an area under the curve (AUC) value for an ROC curve that is about 0.8 or greater.
4 . The method of claim 1 , wherein the classification model has a sensitivity from about 0.85 to about 1 and/or a specificity from about 0.85 to about 1, and optionally an area under the curve (AUC) value for an ROC curve that is about 0.8 or greater.
5 . The method of claim 1 , wherein the classification model has a sensitivity from about 0.9 to about 1 and/or a specificity from about 0.9 to about 1, and optionally an area under the curve (AUC) value for an ROC curve that is about 0.8 or greater.
6 . The method of claim 5 , wherein the classification model has an accuracy of at least 97% for detecting a sample from a subject with Lyme disease and an accuracy of at least 87% for detecting a sample from a subject with STARI.
7 . The method of claim 1 , wherein:
abundance values are provided for each molecular feature in Table A or Table D; and the suitable controls comprise a blood sample from a subject known to be positive for Lyme disease, and a blood sample from a subject known to be positive for STARI.
8 . The method of claim 7 , wherein the classification model has an accuracy of at least 95% for detecting a sample from a subject with Lyme disease and an accuracy of at least 85% for detecting a sample from a subject with STARI.
9 . The method of claim 7 , wherein the classification model has an accuracy of at least 97% for detecting a sample from a subject with Lyme disease and an accuracy of at least 87% for detecting a sample from a subject with STARI.
10 . The method of claim 1 , wherein:
abundance values are provided for each molecular feature in Table C or Table D; the suitable controls include a blood sample from a subject known to be positive for Lyme disease, a blood sample from a subject known to be positive for STARI, and a blood sample from a healthy subject.
11 . The method of claim 10 , wherein the classification model has an accuracy of at least 85% for detecting a sample from a subject with Lyme disease, an accuracy of at least 85% for detecting a sample from a subject with STARI, and an accuracy of at least 85% for detecting a sample from a healthy subject.
12 . The method of claim 10 , wherein the classification model has an accuracy of at least 85% for detecting a sample from a subject with Lyme disease, an accuracy of at least 90% for detecting a sample from a subject with STARI, and an accuracy of at least 90% for detecting a sample from a healthy subject.
13 . The method of claim 1 , wherein the blood sample is a serum sample.
14 . The method of claim 1 , wherein the subject has at least one symptom that is associated with both Lyme disease and STARI.
15 . The method of claim 1 , wherein the subject has an erythema migrans rash.
16 . The method of claim 1 , wherein the subject's serum is negative for antibodies to Lyme disease-causing Borrelia species.Join the waitlist — get patent alerts
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