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Table 1 List of identified compounds

From: Metagenomic and phytochemical analyses of kefir water and its subchronic toxicity study in BALB/c mice

No.

Component name

Formula

Neutral mass

(Da)

Observed neutral

mass (Da)

Mass error

(ppm)

Mass error

(mDa)

Observed RT

(min)

Isotope Match Intensity

RMS Percent

1

Trifloroside

C35H42O20

782.22694

782.228

1.4

1.1

0.67

1400.16

2

Nevadensin-7-O-[α-L-rhamnosyl(1 → 6)]-β-D-glucoside

C30H36O16

652.20034

652.203

4.1

2.7

0.55

657.32

3

Grosvenorine

C33H40O19

740.21638

740.22

4.8

3.6

0.53

609.62

4

6′-O-Benzoyl-4″-hydroxy-3″-methoxypaeoniflorin

C31H34O14

630.19486

630.1947

−0.3

− 0.2

0.65

447.06

5

Sibiricaxanthone A

C24H26O14

538.13226

538.1307

−2.9

−1.6

0.45

254.81

6

(2R,3R)-Taxifolin7-O-α-L-rhamnopyranosyl-(1 → 6)-β-D-glucopyranoside

C27H32O16

612.16903

612.1671

−3.2

−2

1.01

207.66

7

Spinosin

C28H32O15

608.17412

608.1761

3.3

2

0.63

187.22

8

Acacetin-7-O-(6″-O-acetyl)-β-D-glucopyranoside

C24H24O11

488.13186

488.1339

4.2

2.1

0.58

180.44

9

5,7,2′-Trihydroxy-flavanone-4′-O-β-D-glucoside

C21H22O11

450.11621

450.1146

−3.7

−1.7

1.58

177.32

10

5,7,2′-Trihydroxy-flavanone-4′-O-β-D-glucoside

C21H22O11

450.11621

450.1147

−3.5

−1.6

1.32

139.7

11

Shanciol B

C25H26O6

422.17294

422.1711

−4.3

−1.8

6.13

122.37

12

Iridin

C24H26O13

522.13734

522.1347

−5

−2.6

2.61

118.45

13

Helonioside B

C34H40O18

736.22146

736.2196

−2.5

−1.9

2.86

103.45

14

2,3,5,4′-Tetrahydroxystilbene-2,3-O-β-D-glucopyranoside

C26H32O14

568.17921

568.1766

−4.6

−2.6

1.62

95.29

15

2,3,5,4′-Tetrahydroxystilbene-2,3-O-β-D-glucopyranoside

C26H32O14

568.17921

568.1779

−2.3

−1.3

1.75

93.24

16

Erigoster A

C27H26O13

558.13734

558.1352

−3.9

−2.2

5.26

83.91

17

Helonioside B

C34H40O18

736.22146

736.2186

−4

−2.9

2.23

83.6

18

Ginsenoside Ra1

C58H98O26

1210.63463

1210.6386

3.3

4

0.34

82.61

19

Asperuloside tetraacetate

C26H30O15

582.15847

582.156

−4.3

−2.5

1.44

81.49

20

Nortracheloside

C26H32O12

536.18938

536.1896

0.5

0.2

5.66

81.42