Table 1 List of the analysed BAs and their metabolites with abbreviations, retention times, and quantifier/qualifier ions.

From: Analysis of fecal bile acids and metabolites by high resolution mass spectrometry in farm animals and correlation with microbiota

 

Retention time (min)

Quantifier/qualifier (mz−1)

Oxo-BA (abbreviation)

3,7,12-trioxo-5β-cholan-24-oic acid (trioxo-CA)

2.01

[401.2302]–[401.2302]

7α,12β-dihydroxy-3-oxo-5β-cholan-24-oic acid (12β-3-oxo-CA)

2.39

[405.2699]–[359.2630]

7β,12α-dihydroxy-3-oxo-5β-cholan-24-oic acid (3-oxo-UCA)

2.57

[405.2699]–[271.2118]

3α,6α-dihydroxy-7-oxo-5β-cholan-24-oic acid (7-oxo-HCA)

3.28

[405.2699]–[405.2699]

3α,12α-dihydroxy-7-oxo-5β-cholan-24-oic acid (7-oxo-CA)

3.36

[405.2699]–[289.2219]

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid (12oxo-CA)

3.47

[405.2699]–[245.1555]

3,7-dioxo-5β-cholan-24-oic acid (3,7-dioxo-CDCA)

3.67

[387.2588]–[273.2253]

6α,7α-dihydroxy-3-oxo-5β-cholan-24-oic acid (3-oxo-HCA)

3.62

[405.2699]–[385.2466]

3,12-dioxo-5β-cholan-24-oic acid (3,12-dioxo-DCA)

3.78

[387.2588]–[341.2532]

7β-hydroxy-3-oxo-5β-cholan-24-oic acid (3-oxo-UDCA)

3.77

[389.2762]–[389.2762]

3,6-dioxo-5β-cholan-24-oic acid (3,6-dioxo-HDCA)

3.85

[387.2588]–[309.2280]

7α,12α-dihydroxy-3-oxo-5β-cholan-24-oic acid (3-oxo-CA)

3.95

[405.2699]–[289.2219]

6α-hydroxy-3-oxo-5β-cholan-24-oic acid (3-oxo-HDCA)

3.88

[389.2762]–[389.2762]

3α-hydroxy-6-oxo-5β-cholan-24-oic acid (6-oxo-HDCA)

3.95

[389.2762]–[389.2762]

3α-hydroxy-7-oxo-5β-cholan-24-oic acid (7-oxo-CDCA)

4.11

[389.2762]–[389.2762]

12β-hydroxy-3-oxo-5β-cholan-24-oic acid (12β-3-oxo-DCA)

4.21

[389.2762]–[343.2685]

3α-hydroxy-12-oxo-5β-cholan-24-oic acid (12-oxo-DCA)

4.27

[389.2762]–[343.2685]

3α-hydroxy-6,7-dioxo-5β-cholan-24-oic acid (6,7-dioxo-CA)

3.87

[403.2380]–[403.2380]

7α-hydroxy-3-oxo-5β-cholan-24-oic acid (3oxo-CDCA)

4.63

[389.2762]–[389.2762]

12α-hydroxy-3-oxo-5β-cholan-24-oic acid (3oxo-DCA)

4.74

[389.2762]–[389.2762]

3-oxo-5β-cholan-24-oic acid (3oxo-LCA)

5.17

[373.2741]–[373.2741]

BA (abbreviation)

3α,6β,7α-trihydroxy-5β-cholan-24-oic acid (αMCA)

3.23

[407.2840]–[387.2507]

3α,6β,7β-trihydroxy-5β-cholan-24-oic acid (βMCA)

3.32

[407.2840]–[371.2571]

3α,6α,7α-trihydroxy-5β-cholan-24-oic acid (HCA)

3.93

[407.2840]–[389.2721]

3α,7β-dihydroxy-5β-cholan-24-oic acid (UDCA)

3.98

[391.2906]–[373.2760]

3α,6α-dihydroxy-5β-cholan-24-oic acid (HDCA)

4.15

[391.2906]–[391.2760]

3α,7α,12α-trihydroxy-5β-cholan-24-oic acid (CA)

4.42

[407.2840]–[289.2184]

3α,7α-dihydroxy-5β-cholan-24-oic acid (CDCA)

4.96

[391.2906]–[373.2799]

3α,12α-dihydroxy-5β-cholan-24-oic acid (DCA)

5.07

[391.2906]–[343.2886]

3α-hydroxy-5β-cholan-24-oic acid (LCA)

5.58

[375.3002]–[355.2726]

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