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Table 3 Discovered antioxidant candidates using the enhanced scoring system

From: High-throughput detection of antioxidants in mulberry fruit using correlations between high-resolution mass and activity profiles of chromatographic fractions

#

Antioxidant compounds

Formular

Molecular weight

Monoisotopic mass m/z of [M-H]−

MS/MS fragment ion peaks

Score 3

Antioxidant

Plant

Database ID

References

1

(R)-Fulvic acid

C14H12O8

308.242

307.04595

171.10(28) 209.11(17)

291.19(18) 307.19(100)

19,604

–

–

51,382,658

–

2

Corchori fatty acid F

C18H32O5

328.444

327.21770

171.10(42) 211.13(38)

229.14(31) 327.22(100)

15,916

–

Corchorus olitorius L.

44,559,173

[32]

3

Quercetin

C15H10O7

302.238

301.03538

175.04(19) 151.00(32)

149.02(10) 107.01(13)

9383

SAOx

Morus alba L.

5,280,343

[13]

4

Methyl syringin

C18H26O9

386.397

385.15040

223.10(100) 385.15(55)

8167

–

Morus alba L.

Styrax japonica S.

FDB019191

[33]

5

Chlorogenic acid

C16H18O9

354.311

353.08781

191.05(100)

7026

SAOx

Morus alba L.

179,4427

[12]

6

New compound 1

C15H21NO7

327.329

326.12452

N.A.

6918

N1

–

–

–

7

5-O-Caffeoylshikimic acid

C16H16O8

336.296

335.07725

N.A.

5841

AOx1

Phoenix dactylifera

5,281,762

[30]

8

Naringenin

C15H12O5

272.252

271.06119

119.05(44) 151.00(100)

177.02(19) 271.06(66)

5326

O1

Morus alba L.

439,246

[26]

9

2-formyl-5-(hydroxymethyl)-1H-pyrrole-1-butanoic acid

C10H13NO4

211.214

210.07725

124.04(99) 210.07(100)

5261

O2

Morus alba L.

–

[27]

10

Butyl buty ryllactate

C11H20O4

216.274

215.12890

179.05(17) 215.03(100)

5150

–

Fragaria ananassa Duch.

24,114

–

11

Caohuoside C

C27H30O11

530.526

529.17149

N.A.

4993

AOx2

Epimedium koreanum

44,259,411

[34]

12

Manniflavanone

C30H22O13

590.493

589.09881

N.A.

4864

AOx3

Garcinia buchananii

198,549

[35]

13

Crocusatin H

C12H20O4

228.288

227.12893

138.01(12) 209.19(30)

227.20(100)

4478

AOx4

Crocus sativus

637,013

[31]

14

Luteolin

C15H10O6

286.239

285.04046

133.02(100) 149.02(10)

151.00(32) 199.04(13)

4434

SAOx

Morus alba L.

5,280,445

[15]

15

Dihydroquercetin

C15H12O7

304.254

303.05103

125.02(20) 177.02(18)

285.04(100)

4361

SAOx

Morus alba L.

439,533

[15]

16

Luteolin 7-O-glucuronide

C21H18O12

462.363

461.07256

301.04 (10)

461.07(100)

4199

AOx5

Acanthus hirsutus

5,280,601

 

17

Rutin

C27H30O16

610.521

609.14611

301.03(75) 300.02(100)

302.04(14)

4130

SAOx

Morus alba L.

5,280,805

[13]

18

Dalspinin

C17H12O7

328.276

327.05104

255.23(20) 327.29(100)

4012

AOx6

Dalbergia spinosa Roxb

5,323,563

[29]

19

New compound 2

C18H34O7

362.463

361.22316

N.A.

3888

N2

–

–

–

20

New compound 3

C26H18N2O

374.141

373.13336

191.03(38) 327.05(25)

373.09(100)

3829

N3

–

–

–

  1. The top 20 anti-oxidant candidate list of mulberry fruits was generated by sorting the mass peak list according to Score 3. The corresponding formulae are given by UHR FT-ICR MS. Five strong standard antioxidants (SAOx) were included in the list and two additional antioxidants (O1, O2) were found from the mulberry (Morus alba L.) fruit extract. Three unknown strong antioxidant candidates (N1, N2, and N3) were listed. From a survey of natural product databases [28] and reference literatures, six of these antioxidants (AOx1 ~AOx6) are found in other plants [29,30,31, 34, 35] and most of the antioxidants have structures corresponding to flavonoids. Four known compounds was never published as an antioxidant before. So it can be a new antioxidant candidates. And three new compounds (N1, N2, and N3) showed the close correlation with activity profiles. Probably the very early eluting fractions and the last fractions will be the good starting fractions to find the novel oxidative molecules from mulberry fruits
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Plant Methods

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