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Table 2 Tentative identification of distinctive metabolites in active subfractions of ABE-F2 and GBE-F2

From: Antioxidant and anti-inflammatory activities of the methanol extract from the bran of the colored wheat, 'Ariheuk'

m/z

RT (min)

Subfractions

Tentative identification

MS/MS fragments

Error (ppm)

565.1554

14.06

ABE-F2

Corymboside

391.0809, 295.0598, 325.0705

0.39

565.1557

13.46

Schaftoside

379.0811, 325.0703, 295.0597

0.92

595.1662

14.69

Apigenin-6,8-di-C-glucoside

409.0914, 355.0811, 325.0700

0.76

268.1042

0.86

Adenosine

136.0619, 137.0657, 268.1038

0.63

144.0809

6.56

6-Methylquinoline

144.0808, 145.0842, 143.0731

0.86

160.0757

11.81

6-Methoxyquinoline

160.0757, 145.0522, 118.0653

0.06

206.0812

11.77

Indole-3-lactic acid

118.0653, 130.0652, 146.0600

0.15

136.062

0.86

Adenine

136.0618, 91.0546, 137.0

1.68

229.1548

0.86

Prolylleucine

229.1545, 142.0862, 70.0657

0.57

549.1245

15.35

Peonidin-3-O-malonylglucoside

301.0705, 286.0471, 302.0738

1.09

463.1238

18.75

 

Peonidin-derivatives

301.0704, 286.0470, 302.0739

-1.70

188.0708

2.61

GBE-F2

trans-3-Indoleacrylic acid

146.0600, 118.0653, 144.0808

1.04

205.0972

2.61

DL-Tryptophan

146.0601, 188.0707, 118.0654

0.22

146.0601

2.61

Indole-4-carbaldehyde

118.0653, 146.0600, 144.0808

0.41

166.0864

1.72

L-Phenylalanine

120.0809, 121.0844, 103.0545

0.87

144.0809

2.61

6-Methylquinoline

144.0808, 145.0842, 117.0701

0.87

118.0654

2.60

Indole

118.0654, 91.0547, 119.0686

2.32

217.0973

6.78

2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid

144.0808, 145.0842, 74.0242

0.67

229.1548

0.87

Prolylleucine

229.1546, 142.0863, 70.0657

0.57

268.1041

0.87

Adenosine

136.0617, 137.0665, 268.1042

0.26

565.1556

13.50

Corymboside

379.0807, 325.0702, 349.0703

0.74

132.081

2.96

6-Methylindole

132.0809, 117.0575, 133.0844

1.70

146.0602

4.51

8-Hydroxyquinoline

146.0600, 118.0653, 147.06355

1.10

182.0814

1.16

L-Tyrosine

136.0757, 123.0442, 119.0493

1.26

160.0759

11.83

6-Methoxyquinoline

160.0757, 145.0524, 132.0808

1.31

152.0568

1.17

Guanine

152.0567, 153.0407, 135.0301

0.75

136.062

0.87

Adenine

136.0618, 137.0458, 91.0547

1.68