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Table 1 Final AMRPTs selected as metabolomic markers of response to vaccination

From: Identification of systemic immune response markers through metabolomic profiling of plasma from calves given an intra-nasally delivered respiratory vaccine

AMRTP I.D.

Retention time (mins)

Measured mass (Da)

Elemental composition (M + H)

% Fit confidence

Mass Error (mDa)

PubChem I.D.

Compound

0.4295_151.145

0.4295

151.145

C6H19N2O2

98.17

0.7

 

Unknown

0.4926_156.105

0.4926

156.105

C8H14NO2

99.66

1.4

 

Unknown

0.6158_169.039

0.6158

169.039

C5H5N4O3

99.48

−0.4

1175

Uric Acid (UA)a

1.4952_218.14

1.4952

218.14

C10H20NO4

95.95

−0.2

107738

Propionylcarnitine (PLC)

4.2427_180.066

4.2427

180.066

C9H10NO3

74.69

1.1

464

Hippuric Acid (HA) a

4.5993_194.082

4.5993

194.082

C10H12NO3

54.33

−1.1

97479

N-Methylhippuric Acid (NMHA)

4.8821_184.097

4.8821

184.097

C9H14NO3

34.64

−0.2

149048

N-(Cyclohex-1-en-1-ylcarbonyl)glycine (NCG)

5.006_186.113

5.006

186.113

C9H16NO3

100

0.1

147412

Hexahydrohippuric Acid (HHA)a

7.1759_464.3

7.1759

464.3

C26H42NO6

96.92

−0.6

10253857

N-[(3α,5β,12α)-3,12-Dihydroxy-7,24-dioxocholan-24-yl]glycine (NDGCA)

7.7341_466.317

7.7341

466.317

C26H44NO6

16.22

−0.6

10140

Glycocholic Acid (GCA)a

8.2088_500.304

8.2088

500.304

C26H46NO6S

5.8

−0.8

44688

Taurodeoxycholic Acid (TDCA)a

8.5105_583.255

8.5105

583.255

C33H35N4O6

18.33

1.4

5280353

Biliverdin (BLD)a

  1. Elemental composition of AMPRTs was calculated in MassLynx, with mass error of 3mDa, and elements C, H, O, P, S and N and % fit confidence for 3 isotopic peaks was calculated. Where possible spectral match score against function 2 data in Metlin is indicated. Compounds identified by pure standards are indicated witha.