Table 4.
Metabolites | RT (min) | Ion (m/z) | Mass error (ppm) | VIPa | Fold change (AOB/CON)b | P-valuec | Tendency |
---|---|---|---|---|---|---|---|
Glycerophospholipids | |||||||
LysoPC (14:0) | 7.16 | 512.30 | −1.99 | 2.91 | 2.09 | 0.01 | |
PC[18:1(11Z)/18:2(9Z,12Z)] | 10.73 | 828.58 | −4.95 | 8.67 | 0.86 | 0.01 | ↓ |
LysoPE(15:0) | 6.45 | 484.27 | −2.19 | 1.57 | 1.88 | 0.03 | |
PE(15:0/14:0) | 9.89 | 694.47 | −0.24 | 6.96 | 1.77 | 0.01 | |
LysoPC(18:0) | 8.81 | 568.36 | −1.76 | 8.91 | 1.69 | 0.01 | |
LysoPC(16:0) | 7.99 | 540.33 | −3.89 | 6.85 | 2.00 | 0.00 | |
LysoPC[20:3(5Z,8Z,11Z)] | 7.83 | 590.35 | −1.21 | 1.24 | 1.61 | 0.03 | |
1–Oleoylglycerophosphoinositol | 7.93 | 597.30 | −0.81 | 7.88 | 1.56 | 0.01 | |
PC(P−16:0/0:0) | 8.38 | 524.34 | −1.60 | 1.27 | 1.73 | 0.01 | |
PC[14:1(9Z)/14:1(9Z)] | 9.58 | 718.47 | 0.56 | 1.10 | 3.08 | 0.00 | |
PE[15:0/14:1(9Z)] | 9.62 | 692.45 | 0.23 | 2.23 | 2.27 | 0.01 | |
PE[22:5(4Z,7Z,10Z,13Z,16Z)/P−18:1(11Z)] | 11.37 | 810.53 | 8.11 | 2.62 | 0.83 | 0.01 | ↓ |
PS(18:2(9Z,12Z)/18:0) | 10.90 | 808.51 | 0.90 | 3.14 | 0.82 | 0.00 | ↓ |
PE(15:0/18:0) | 10.72 | 750.53 | 0.03 | 4.50 | 0.79 | 0.02 | ↓ |
PE[15:0/20:3(5Z,8Z,11Z)] | 10.03 | 772.51 | 0.38 | 1.61 | 1.41 | 0.01 | |
PE(14:0/14:0) | 9.69 | 680.45 | −0.51 | 1.88 | 2.48 | 0.00 | |
LysoPE(16:0) | 8.23 | 452.28 | −1.74 | 7.84 | 2.02 | 0.00 | |
LysoPE(18:0) | 7.60 | 526.31 | −2.23 | 1.31 | 1.73 | 0.03 | |
LysoPI(18:0) | 8.60 | 601.33 | −0.24 | 3.85 | 1.54 | 0.03 | |
LysoPE[18:1(9Z)] | 8.33 | 480.31 | 0.20 | 9.54 | 2.32 | 0.00 | |
LysoPE(16:0) | 8.24 | 454.29 | 3.01 | 4.67 | 2.32 | 0.00 | |
LysoPC(16:0) | 8.14 | 496.34 | 0.23 | 12.41 | 2.58 | 0.00 | |
LysoPI[18:1(9Z)] | 8.00 | 599.32 | −0.89 | 2.90 | 1.72 | 0.01 | |
LysoPE(18:0) | 8.90 | 482.32 | 0.59 | 5.00 | 1.93 | 0.01 | |
LysoPC(14:0) | 7.34 | 468.31 | 0.22 | 2.96 | 2.29 | 0.01 | |
1-heptadecanoyl–sn-glycero-3-phosphocholine | 8.49 | 510.36 | 0.09 | 1.30 | 2.34 | 0.00 | |
LysoPC(18:0) | 8.81 | 524.37 | 0.51 | 7.72 | 2.30 | 0.00 | |
LysoPE(14:0) | 7.44 | 426.26 | −0.23 | 1.09 | 2.98 | 0.00 | |
PS[18:0/18:2(9Z,12Z)] | 7.03 | 752.51 | −9.59 | 1.28 | 3.46 | 0.04 | |
LysoPC(15:0) | 7.76 | 482.32 | −0.11 | 1.58 | 2.61 | 0.00 | |
Fatty acyls | |||||||
cis-9,10-Epoxystearic acid | 7.40 | 297.24 | −2.44 | 5.31 | 2.42 | 0.02 | |
Kojibiose | 0.59 | 377.08 | 0.24 | 24.53 | 0.81 | 0.00 | ↓ |
5-Hexyltetrahydro-2-furanoctanoic acid | 7.64 | 343.25 | −2.83 | 1.28 | 2.33 | 0.03 | |
Rollinecin A | 9.72 | 659.46 | −2.08 | 1.92 | 2.49 | 0.01 | |
4-Deoxyannoreticuin | 9.78 | 625.47 | −2.40 | 1.16 | 2.79 | 0.01 | |
11,14,17-Eicosatrienoic acid | 8.84 | 339.29 | 0.57 | 4.44 | 2.72 | 0.02 | |
Erythro−6,8-tricosanediol | 9.27 | 401.34 | 0.03 | 1.86 | 1.49 | 0.03 | |
Linoleamide | 8.28 | 280.26 | −0.37 | 1.10 | 1.32 | 0.00 | |
Prenol lipids | |||||||
Crocin | 8.91 | 975.37 | −5.04 | 2.05 | 0.76 | 0.02 | ↓ |
26-Methyl nigranoate | 9.25 | 505.33 | −1.70 | 3.84 | 2.60 | 0.00 | |
(R)-6′-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin | 7.93 | 665.29 | 4.97 | 1.49 | 1.42 | 0.04 | |
7C-aglycone | 2.02 | 595.23 | 1.87 | 1.01 | 3.94 | 0.00 | |
13′-Hydroxy-gamma-tocopherol | 10.12 | 474.42 | −0.16 | 2.16 | 1.31 | 0.05 | |
3-Hydroxy-10′-apo-b,y-carotenal | 9.39 | 434.31 | 0.09 | 1.05 | 0.57 | 0.03 | ↓ |
Glycerolipids | |||||||
DG(18:3(9Z,12Z,15Z)/22:0/0:0) | 10.44 | 719.59 | 4.16 | 1.03 | 0.82 | 0.01 | ↓ |
MG(0:0/14:0/0:0) | 8.08 | 285.24 | −0.34 | 2.70 | 2.39 | 0.01 | |
DG(12:0/12:0/0:0)[iso2] | 10.10 | 479.37 | −0.28 | 3.90 | 1.37 | 0.02 | |
MG(0:0/18:0/0:0) | 9.33 | 341.31 | 0.06 | 1.95 | 2.42 | 0.02 | |
Steroids and steroid derivatives | |||||||
Pregnanediol | 8.82 | 685.54 | 0.16 | 1.54 | 7.17 | 0.00 | |
Calusterone | 9.71 | 677.48 | 4.21 | 1.30 | 2.48 | 0.00 | |
Campesteryl p-coumarate | 9.18 | 545.40 | 6.35 | 1.10 | 2.73 | 0.00 | |
O-methoxycatechol-O-sulfate | 2.48 | 203.00 | −0.97 | 3.82 | 2.62 | 0.04 | |
Flavonoids | |||||||
2″-(6″-p-Coumaroylglucosyl)quercitrin | 0.80 | 777.16 | −4.81 | 7.50 | 0.44 | 0.01 | ↓ |
Moracetin | 0.95 | 787.19 | −4.75 | 7.87 | 0.64 | 0.00 | ↓ |
Brassicoside | 0.93 | 839.16 | −5.40 | 3.10 | 0.50 | 0.01 | ↓ |
Sphingolipids | |||||||
SM(d18:1/12:0) | 9.93 | 691.50 | −0.48 | 3.14 | 1.54 | 0.00 | |
N,N-dimethyl-safingol | 7.59 | 330.34 | 0.11 | 1.29 | 0.44 | 0.00 | ↓ |
C16 sphinganine | 5.91 | 274.27 | −0.22 | 3.61 | 0.54 | 0.00 | ↓ |
Benzene and substituted derivatives | |||||||
Gentisic acid | 2.60 | 153.02 | 2.46 | 2.67 | 3.10 | 0.00 | |
Hippuric acid | 2.37 | 180.07 | −1.45 | 3.44 | 1.52 | 0.04 | |
Organonitrogen compounds | |||||||
Sphinganine | 6.80 | 302.31 | 0.20 | 2.09 | 0.49 | 0.00 | ↓ |
Organooxygen compounds | |||||||
Lactulose | 0.60 | 365.11 | 0.47 | 20.11 | 0.69 | 0.01 | ↓ |
Pyrans | |||||||
Ethyl maltol | 2.37 | 105.03 | 1.83 | 1.79 | 1.44 | 0.03 | |
Carboxylic acids and derivatives | |||||||
L-pyridosine | 2.01 | 255.13 | −0.83 | 1.39 | 3.12 | 0.00 |
VIP: variable importance in the projection obtained from the OPLS model with a cut-off of 1.5.
FC: fold change, the ratio of the mean value of the peak area obtained from the AOB group and the mean value of the peak area obtained from the CON group. An FC <1 means that the metabolite is lower in milk from AOB cows than in milk from CON cows.
p-values from nonparametric Wilcoxon-Mann-Whitney test.