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Table 2 Mass spectrometric analysis of ethanol extract of C. hirta fruits using HRMS in positive mode

From: The antibiofilm potential of Clidemia hirta against Candida albicans: preliminary study

No

Name

Formula

RT [min]

Area (Max.)

% RA*

mzCloud Best Match

Calculated Molecular Wight (MW)

1

Lidocaine

C14 H22 N2 O

9,873

80,365,087,95

0,76

99,7

234,17,266

2

PPG n6

C18 H38 O7

11,589

69,296,658,93

0,66

99,1

366,26,057

3

3-tert-Butyladipic acid

C10 H18 O4

11,608

14,801,730,97

0,14

85,8

202,11,949

4

DNH

C14 H20 N6 O7

11,754

13,300,673,28

0,13

81,7

384,13,844

5

NP- 018716

C11 H20 O4

12,182

14,527,657,17

0,14

94,7

198,12,502

6

Palmitic Acid

C16 H32 O2

12,507

77,379,314,64

0,73

83,7

273,26,558

7

Dodecanedioic acid

C12 H22 O4

12,694

144,494,009,3

1,37

85,2

230,15,077

8

NP- 004036

C12 H22 O4

12,698

14,487,415,93

0,14

84,2

212,14,057

9

Perfluoroheptanoic acid

C7 H F13 O2

12,755

131,155,204,1

1,24

94,5

363,97,594

10

Dibutyl phthalate

C16 H22 O4

12,785

40,294,685,93

0,38

88,2

278,14,867

11

(1R,4aS)− 7-(2-Hydroxypropan- 2-yl)− 1,4a-dimethyl- 9-oxo- 3,4,10,10a-tetrahydro- 2H-phenanthrene- 1-carboxylic acid

C20 H26 O4

12,963

16,711,927,32

0,16

97,9

330,18,199

12

(2R,5R,6R)− 3-[(1E,3E)-hepta- 1,3-dien- 1-yl]− 5,6-dihydroxy- 2-(hydroxymethyl)cyclohexan- 1-one

C14 H22 O4

13,23

8,529,640,833

0,08

91,5

276,13,298

13

NP- 021797

C12 H22 O3

13,322

43,614,432,61

0,41

84,6

236,13,822

14

Perfluorooctanoic acid (PFOA)

C8 H F15 O2

13,459

10,549,425,292

100**

99,5

413,97,234

15

DEET

C12 H17 N O

13,598

23,272,344,32

0,22

99,6

191,13,046

16

5-(6-hydroxy- 6-methyloctyl)− 2,5-dihydrofuran- 2-one

C13 H22 O3

13,649

30,602,666,05

0,29

70,1

226,15,615

17

2,2,6,6-Tetramethyl- 1-piperidinol (TEMPO)

C9 H19 N O

13,728

55,428,487,18

0,53

92

157,14,626

18

NP- 019547

C17 H26 O5

14,26

8,485,545,247

0,08

90,4

332,15,892

19

Dodecyl sulfate

C12 H26 O4 S

14,288

3,001,498,670

28,45

96,4

266,15,468

20

Ostruthin

C19 H22 O3

14,546

409,649,674,4

3,88

95,1

298,15,962

21

Hexadecanedioic acid

C16 H30 O4

14,593

12,517,105,77

0,12

88,3

286,21,397

22

NP- 019547

C17 H26 O5

14,757

242,346,986,1

2,30

92,3

310,18,083

23

1-[(1S,4S)− 4-(1-Benzyl- 3,5-dimethyl- 1H-pyrazol- 4-yl)− 2-cyclopenten- 1-yl]− 3-isopropylurea

C21 H28 N4 O

15,04

58,183,158,51

0,55

76,8

398,23,311

24

Tetranor- 12(S)-HETE

C16 H26 O3

15,208

12,549,938,23

0,12

78,6

248,17,446

25

4-Ethoxy ethylbenzoate

C11 H14 O3

15,211

65,277,762,53

0,62

94,7

194,09386

26

Myristyl sulfate

C14 H30 O4 S

15,456

521,822,040,4

4,95

96

294,18,733

27

Resolvin E1

C20 H30 O5

15,648

74,425,827,52

0,71

85

350,21,226

28

4-Dodecylbenzenesulfonic acid

C18 H30 O3 S

15,668

170,185,208,9

1,61

99,5

326,19,115

29

4-Dodecylbenzenesulfonic acid

C18 H30 O3 S

15,913

760,209,731,1

7,21

99,5

326,19,115

30

Tris(1,3-dichloro- 2-propyl) phosphate (TDCPP)

C9 H15 Cl6 O4 P

16,179

232,201,372,7

2,20

97,6

427,88,274

31

[(4S,6S)− 6-Isobutyl- 3,4,5,6-tetrahydro- 1H-azepino[5,4,3-cd]indol- 4-yl](4-morpholinyl)methanone

C20 H27 N3 O2

16,793

94,376,609,06

0,89

79,3

341,20,964

32

3,5-di-tert-Butyl- 4-hydroxybenzaldehyde

C15 H22 O2

17,045

28,647,683,97

0,27

96,4

234,16,144

33

Olomoucine

C15 H18 N6 O

17,377

26,493,251,05

0,25

79,4

298,1537

34

(2E)− 3-(Acetoxymethyl)− 5-[(1S,4aR,8aR)− 2-(hydroxymethyl)− 5,5,8a-trimethyl- 1,4,4a,5,6,7,8,8a-octahydro- 1-naphthalenyl]− 2-pentenoic acid

C22 H34 O5

17,413

23,228,482,56

0,22

78,8

378,24,357

35

Docosahex

C22 H32 O2

17,959

38,241,031,72

0,36

98,2

340,2582

36

NP- 020014

C15 H26 O3

18,001

36,568,579,56

0,35

70,6

276,17,192

37

Galaxolidone

C18 H24 O2

18,3

96,773,897,6

0,92

93,8

272,17,699

38

Dibutyl phthalate

C16 H22 O4

18,348

203,479,713,3

1,93

99,7

278,15,102

39

Hexadecanamide

C16 H33 N O

19,375

34,927,049,54

0,33

94

255,25,557

40

NP- 001596

C16 H30 O4

19,939

49,487,022,08

0,47

98,7

308,19,539

41

cis- 7-Hexadecenoic acid

C16 H30 O2

20,138

136,058,574

1,29

95,8

254,22,392

42

Citroflex A- 4

C20 H34 O8

20,145

43,364,356,39

0,41

98,7

402,22,425

43

Oleamide

C18 H35 N O

20,238

31,051,728,3

0,29

90,1

281,2712

44

NP- 013685

C22 H22 O11

20,761

70,508,294,96

0,67

81,2

484,10,405

45

9(Z),11(E)-Conjugated linoleic acid

C18 H32 O2

21,14

49,301,032,18

0,47

93,8

280,23,973

46

Palmitic acid

C16 H32 O2

21,234

53,196,083,33

0,50

95,4

256,2397

47

1-Stearoylglycerol

C21 H42 O4

21,538

51,082,538,54

0,48

96,1

358,30,752

48

Stearamide

C18 H37 N O

21,653

18,597,256,81

0,18

95,2

283,28,673

50

Oleic acid

C18 H34 O2

21,957

124,322,409,1

1,18

95

282,25,529

51

Erucamide

C22 H43 N O

24,198

790,010,390,3

7,49

78,7

337,33,318

52

Bis(2-ethylhexyl) phthalate

C24 H38 O4

25,295

2,013,296,822

19,08

99,8

390,27,522

53

Octyl decyl phthalate

C26 H42 O4

26,32

282,574,520,1

2,68

98,1

440,28,856

55

Vitamin E Acetate

C31 H52 O3

25,939

40,755,828,76

0,39

98,4

489,41,646

  1. *Relative percentage abundance (% RA) was measured by the ratio RA of the provided peak area to RA of the **reference peak