Table 2 Comprehensive Metabolite profiling of Germinated Lablab purpureus seeds using LCMS in positive and negative Ion Modes

Phytochemicals

 1

3beta,6beta- Dihydroxynortropane

C7 H13 N O2

166.0837

166.0837

2.176

143.0945

86.17

Positive

 2

Gibberellin A74

C20 H28 O6

387.1756

387.1756

12.474

364.1863

70.14

Positive

 3

2-Carboxy-5,7-dimethyl-4- octanolide

C11 H18 O4

237.1085

237.1085

12.869

214.1193

78.52

Positive

 4

Valdiate

C17 H26 O5

311.1809

311.1809

12.872

310.1736

49.93

Positive

 5

D8’-Merulinic acid A

C24 H38 O4

391.2798

391.2798

23.135

390.2725

49.85

Positive

 6

6-Feruloylcatalpol

C25 H30 O13

537.1675

537.1675

1.087

538.1746

36.22

Negative

 7

Flavonol 3-O-[alpha-L- rhamnosyl-(1->6)-beta-D- glucoside]

C27 H30 O12

605.1869

605.1869

1.375

546.1726

67.07

Negative

 8

Cynaroside A

C21 H32 O10

443.1919

443.1919

4.178

444.1991

81.37

Negative

 9

7-Acetoxy-6-hydroxylimonin

C28 H34 O10

529.2055

529.2055

5.472

530.2109

37.56

Negative

 10

Heterophylliin E

C40 H28 O25

953.0904

953.0904

6.088

908.092

96.84

Negative

 11

Oleragenoside

C42 H64 O16

823.4121

823.4121

10.732

824.4202

75.52

Negative

 12

Calenduloside H

C48 H76 O19

991.4691

991.4691

11.184

956.4996

97.51

Negative

 13

Fistuloside C

C45 H72 O19

975.4721

975.4721

11.571

916.4561

24.46

Negative

 14

Cynarasaponin C

C42 H66 O14

793.4386

793.4386

11.763

794.4456

97.31

Negative

 15

Azukisaponin IV

C48 H76 O20

971.4847

971.4847

12.17

972.4914

93.01

Negative

 16

Arvensoside A

C48 H78 O18

977.4898

977.4898

12.533

942.5204

96.9

Negative

 17

Calenduloside H

C48 H76 O19

955.4916

955.4916

12.683

956.4985

97.51

Negative

 18

Oleanolic acid 3-[rhamnosyl- (1->4)-glucosyl-(1->6)- glucoside]

C48 H78 O17

961.4935

961.4935

13.013

926.5239

95.47

Negative

 19

Pisumsaponin II

C48 H76 O18

975.4736

975.4736

13.333

940.5039

98.89

Negative

 20

Oleanolic acid 3-O-beta-D- glucosiduronic acid

C36 H56 O9

631.3857

631.3857

14.799

632.3928

98.53

Negative

 21

Oleanolic acid 3-O-beta-D- glucosiduronic acid

C36 H56 O9

631.3855

631.3855

15.095

632.3927

98.53

Negative

 22

Veracevine

C27 H43 N O8

554.3013

554.3013

17.582

509.301

54.67

Negative

 23

Salannin

C34 H44 O9

595.2886

595.2886

18.997

596.2957

60.23

Negative

 24

7,8-Dehydro-beta-micropteroxanthin

C27 H38 O2

393.277

393.277

21.966

394.2822

26.12

Negative

Lipid and Lipid like molecules

 1

Hexanethioic acid S-propyl ester

C9 H18 O S

175.1164

175.1164

1.023

174.1091

69

Positive

 2

4-Hydroxybutanoic acid

C4 H8 O3

127.0368

127.0368

3.098

104.0476

85.48

Positive

 3

3-Hydroxynonyl acetate

C11 H22 O3

225.1451

225.1451

11.492

202.1559

81.09

Positive

 4

C16 Sphinganine

C16 H35 N O2

274.2706

274.2706

12.168

273.2633

69.75

Positive

 5

6-Methyl-2-methylene-6- octene-1,3,8-triol

C10 H18 O3

209.1141

209.1141

12.865

186.1249

83.48

Positive

 6

L-Ascorbic acid-2-glucoside

C12 H18 O11

339.0938

339.0938

17.838

338.0858

69.41

Positive

 7

Aurasperone D

C31 H24 O10

601.1366

601.1366

1.22

556.1384

43.97

Negative

 8

(1 S,4R)-10-Hydroxyfenchone glucoside

C16 H26 O7

389.1811

389.1811

5.504

330.1672

81.39

Negative

 9

Myricanol 5-beta-sophoroside

C33 H46 O15

741.3034

741.3034

9.799

682.2887

41.15

Negative

 10

Corchorifatty acid F

C18 H32 O5

327.2172

327.2172

10.154

328.2244

84.38

Negative

 11

9 S,12 S,13 S-trihydroxy-10E- octadecenoic acid

C18 H34 O5

329.2336

329.2336

10.775

330.2407

97.6

Negative

 12

28-Glucosyl-3b-hydroxy-12- oleanene-30-methoxy-28-oic acid 3-[arabinosyl-(1->3)- glucuronide]

C48 H74 O20

969.4701

969.4701

11.256

970.4775

93.04

Negative

 13

9 S,12 S,13 S-trihydroxy-10E-

octadecenoic acid

C18 H34 O5

329.233

329.233

11.672

330.2402

97.6

Negative

 14

LysoPE(0:0/18:2(9Z,12Z))

C23 H44 N O7 P

476.2779

476.2779

16.151

477.285

80.94

Negative

 15

LysoPE(0:0/18:2(9Z,12Z))

C23 H44 N O7 P

476.2772

476.2772

16.504

477.2843

80.94

Negative

 16

LysoPE(0:0/16:0)

C21 H44 N O7 P

452.2778

452.2778

17.023

453.2849

81.35

Negative

 17

LysoPE(0:0/18:0)

C23 H48 N O7 P

480.3089

480.3089

19.071

481.3158

77.29

Negative

 18

Ganoderic acid H

C32 H44 O9

571.2885

571.2885

21.983

572.2956

59.47

Negative

 19

PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))

C41 H72 N O8 P

736.4919

736.4919

22.185

737.4989

96.71

Negative

 20

Nigroxanthin

C40 H54 O2

611.4043

611.4043

24.045

566.4046

22.96

Negative

Amino acid, peptide, and analogues

 1

Miraxanthin-I

C14 H18 N2 O7 S

381.0753

381.0753

1.099

358.0862

75.98

Positive

 2

4-Amino-2- methylenebutanoic acid

C5 H9 N O2

138.0527

138.0527

1.273

115.0635

99.2

Positive

 3

Methionyl-Aspartate

C9 H16 N2 O5 S

265.082

265.082

1.529

264.0747

70.28

Positive

 4

N(6)-Methyllysine

C7 H16 N2 O2

183.11

183.11

1.662

160.1208

86.71

Positive

 5

D-Tryptophan

C11 H12 N2 O2

205.0942

205.0942

3.591

204.0869

59.39

Positive

 6

N-[(Ethoxycarbonyl)methyl)- p-menthane-3-carboxamide

C15 H27 N O3

270.2026

270.2026

5.72

269.1954

54.35

Positive

 7

2,6-Diamino-7-hydroxy- azelaic acid

C9 H18 N2 O5

235.1292

235.1292

13.307

234.1219

47.03

Positive

 8

gamma-Glutamyl-S- methylcysteine

C9 H16 N2 O5 S

263.0705

263.0705

1.524

264.0777

97.52

Negative

 9

Bis-gamma- glutamylcysteinylbis-beta- alanine

C22 H36 N6 O12 S2

639.1753

639.1753

1.576

640.1824

95.17

Negative

 10

L-gamma-glutamyl-L- isoleucine

C11 H20 N2 O5

259.1293

259.1293

3.826

260.1365

83.98

Negative

 11

Pyro-L-glutaminyl-L- glutamine

C10 H15 N3 O5

258.1065

258.1065

1.228

257.0991

67.36

Positive

Carbohydrates and carbohydrate conjugates

 1

Galactinol dihydrate

C12 H22 O11

377.0863

377.0863

1.087

342.1169

96.78

Negative

 2

Hamamelose

C6 H12 O7

195.0512

195.0512

1.088

196.0584

86.53

Negative

 3

Fagopyritol B3

C24 H42 O21

701.1925

701.1925

1.108

666.2228

96.63

Negative

 4

beta-D-Galactopyranosyl-(1- >4)-beta-D-galactopyranosyl- (1->4)-D-galactose

C18 H32 O16

539.1395

539.1395

1.111

504.1696

96.28

Negative

 5

3,5-Dihydroxyphenyl 1-O-(6- O-galloyl-beta-D- glucopyranoside)

C19 H20 O12

439.0855

439.0855

1.217

440.0925

66.37

Negative

 6

beta-D-Glucopyranosyl-11- hydroxyjasmonic acid

C18 H28 O9

387.1654

387.1654

5.136

388.1726

82.06

Negative

Nucleic acid

 1

Alloxanthin

C40 H52 O2

609.3922

609.3922

22.6

564.392

35.67

Negative

 2

Alloxanthin

C40 H52 O2

609.3935

609.3935

23.62

564.3929

35.67

Negative

 3

Alloxanthin

C40 H52 O2

609.3933

609.3933

24.325

564.3949

35.67

Negative

Benzenoids

 1

Methyl N-methylanthranilate

C9 H11 N O2

188.0679

188.0679

3.585

165.0787

86.2

Positive

Amines

 1

4-Hydroxybenzylamine

C7 H9 N O

146.0578

146.0578

3.582

123.0686

84.96

Positive

 2

Methaphenilene

C15 H20 N2 S

261.1403

261.1403

3.895

260.133

80.63

Positive

 3

2-(2-Furanyl)piperidine

C9 H13 N O

174.0889

174.0889

7.316

151.0997

86.68

Positive

 4

Amantadine

C10 H17 N

174.125

174.125

12.287

151.1358

84.8

Positive

 5

Amantadine

C10 H17 N

174.125

174.125

20.05

151.1358

84.8

Positive

Organic compounds

 1

Galegine

C6 H13 N3

150.1019

150.1019

1.649

127.111

60.66

Positive

 2

2-Mercaptobenzothiazole

C7 H5 N S2

167.9912

167.9912

9.597

166.984

75.86

Positive

 3

Methyl 2-furoate

C6 H6 O3

149.0207

149.0207

16.844

126.0315

85.56

Positive

 4

Methyl 2-furoate

C6 H6 O3

149.0208

149.0208

23.134

126.0316

85.56

Positive

 5

Aurothioglucose

C6 H11 Au O5 S

451.0188

451.0188

1.076

392.005

7.53

Negative

 6

Occidentoside

C36 H32 O15

763.1897

763.1897

1.216

704.1756

61.95

Negative

 7

3-Hydroxy-2 H-pyran-2-one

C5 H4 O3

111.0086

111.0086

1.326

112.0158

87.57

Negative

Other compounds

 1

Primisulfuron

C14 H10 F4 N4 O7 S

453.0164

453.0164

1.086

454.0237

30.53

Negative

 2

1-(sn-Glycero-3-phospho)-1D- myo-inositol

C9 H19 O11 P

333.0592

333.0592

1.221

334.0664

83.7

Negative

 3

Isocitrate

C6 H8 O7

191.0198

191.0198

1.325

192.0271

99.62

Negative