Table 2 Discriminating features from orthogonal projections to latent structures discriminant analysis with identification of lipid structure

Name

p1

pcorr1

Fold change

p Value (α = 1.28E-04)^a

Ion

m/z

Error ppm

Formula

MSI level

 PC(P-36:3)/PC(O-36:4)

−4.44

−0.98

0.22

1.96E-10

[M + H]⁺

768.5901

−0.13

C44H83NO7P

3

 PC

−3.54

−0.98

0.36

8.43E-10

[M + H]⁺

703.5747

–

–

3

 PC(17:0/18:1)/PC(35:1)

−3.96

−0.98

0.28

1.66E-09

[M + H]⁺

774.6004

−0.43

C43H85O8NP

2

 PC(P-36:4)/PC(O-36:5)

−3.65

−0.97

0.29

5.08E-08

[M + H]⁺

766.574

−0.65

C44H81NO7P

3

 PC(16:0/18:2)/PC(34:2)

−3.41

−0.97

0.39

6.21E-08

[M + H]⁺

758.5691

−0.4

C42H81O8NP

2

 LysoPC(18:1)

−3.42

−0.96

0.39

1.13E-07

[M + H]⁺

522.3553

−0.19

C26H53O7NP

2

 PC(18:0/18:1)/PC(36:1)

−2.98

−0.96

0.51

1.04E-06

[M + H]⁺

788.6161

−0.36

C44H87O8NP

2

 PC(16:0/18:1)/PC(34:1)

−2.86

−0.96

0.53

1.31E-06

[M + H]⁺

760.5847

−0.5

C42H83O8NP

2

 PC(P-36:2)/PC(O-36:3)

−4.35

−0.95

0.19

4.26E-07

[M + H]⁺

770.6056

−0.25

C44H85NO7P

3

 PC(16:0/20:4)/PC(36:4)

−3.03

−0.95

0.46

9.59E-07

[M + H]⁺

782.567

−3.07

C44H81O8NP

2

 Unknown compound

−2.78

−0.95

0.57

1.42E-05

[M + H]⁺

850.5542

–

–

4

 PC(C18:0/20:4)/PC(38:4)

−2.54

−0.95

0.57

1.44E-05

[M + H]⁺

811.6043

–5.25

C46H86O8NP

2

 PC

−3.9

−0.94

0.31

2.95E-08

[M + H]⁺

813.6836

–

–

3

 PC(16:0/16:1)/PC(32:1)

−2.7

−0.93

0.39

1.67E-07

[M + H]⁺

732.5537

−0.11

C40H79O8NP

2

 PC(16:0/16:0)/PC(32:0)

−2.7

−0.93

0.51

1.89E-05

[M + H]⁺

734.5692

−0.32

C40H81O8NP

2

 PC(16:0/18:3)/PC(16:1/18:2)/PC(34:3)

−2.78

−0.92

0.5

2.88E-05

[M + H]⁺

756.5513

−3.28

C42H79O8NP

2

 PC

−2.2

−0.91

0.66

9.11E-05

[M + H]⁺

731.6058

–

–

3

 LysoPC(16:0)

−3.01

−0.89

0.44

9.53E-05

[M + H]⁺

496.3397

−0.2

C24H51O7NP

2

Name

p1

pcorr1

fold change

p Value (α =6.56E-05)^a

ion

m/z

error ppm

formula

MSI level

 PC(42:9)

−3.51

−0.93

0.63

2.21E-04

[M + H]⁺

856.5815

−4.2

C50H83NO8P

3

 PC(18:0/22:6)/PC(18:1/22:5)/PC(40:6)

−3.37

−0.93

0.66

1.35E-04

[M + H]⁺

834.5997

−1.19

C48H85NO8P

2

 PC

−3.01

−0.92

0.68

1.16E-04

[M + H]⁺

807.571

–

–

3

 PC

−4.1

−0.92

0.54

1.08E-04

[M + H]⁺

829.0515

–

–

3

 PC(20:2/0:0)

4.01

0.9

1.63

4.33E-03

[M + H]⁺

548.3705

−1.09

C28H55O7NP

2

 PC

−3.08

−0.9

0.79

8.78E-03

[M + H]⁺

792.6278

–

–

3

 PC(18:0/18:1)/PC(36:1)

−2.6

−0.88

0.82

1.14E-02

[M + H]⁺

788.6164

−0.03

C44H87NO8P

2

 PC

−2.91

−0.87

0.74

1.56E-03

[M + H]⁺

892.6534

–

3

 PC

−3.53

−0.86

0.64

6.31E-04

[M + H]⁺

859.59

–

–

3

 PC

−3.34

−0.83

0.7

1.30E-03

[M + H]⁺

992.5569

–

–

3

 PC(P-40:3)/PC(O-40:4)

−2.61

−0.82

0.73

5.59E-03

[M + H]⁺

824.6524

−0.48

C48H91NO7P

3

 PC

−2.68

−0.81

0.87

5.91E-02

[M + H]⁺

764.5976

9.88

C41H83O9NP

3

 PC(16:0/16:0)/PC(32:0)

−2.12

−0.79

0.9

5.38E-02

[M + H]⁺

734.5702

1.09

C40H81O8NP

2

 LysoPC(20:3)

2.61

0.77

1.2

1.20E-01

[M + H]⁺

546.3546

−1.46

C28H53O7NP

2

 PC(20:0/0:0)

2.75

0.77

1.3

6.72E-03

[M + H]⁺

552.402

−0.72

C28H59O7NP

2

 LysoPC(22:5)

3.15

0.76

1.39

7.30E-02

[M + H]⁺

570.3545

−1.58

C30H53NO7P

2