Skip to main content

Table 1 Main compounds found in LA2/1, E2LS3 and E2LS3A through UHPLC-HRMS investigation

From: Lavandula angustifolia mill. for a suitable non-invasive treatment against fungal colonization on organic-media cultural heritage

Peak

tR

Tentative assignment

Formula

[M-H]-found (m/z)

Error (ppm)

RDB

MS/MS fragment ions (m/z)

LA/2/1

E2LS3

E2LS3A

1

0.299

Hexose

C6H12O6

179.0562

0.5

1.0

101.0238; 89.0239

 

n.d

 

2

0.318

Pentose

C5H10O5

149.0457

1.0

1.0

149.0451; 131.0333; 89.0245

 

n.d

n.d

4

0.444

Hydroxydecadienoic acid

C10H16O3

183.1033

3.5

3.0

183.1025; 165.0921; 139.0752; 137.0966; 121.1014; 111.0794

  

n.d

5

0.593

2,6-Dideoxy-3C-methyl-a-L-ribo-hexopyranose

C7H14O4

161.0821

2.3

1.0

161.0838; 143.0715; 115.0755; 101.0606

n.d

n.d

 

7

1.540

9-oxooctadeca-10,12-dienoic acid

C18H30O3

293.2128

2.0

4.0

293.2120; 275.2019; 235.1692; 211.1339; 183.1380; 171.1025

  

n.d

8

1.739

Diterpene derivative (e.g. rosmaquinone B)

C21H26O5

357.1713

1.5

9.0

357.1724; 311.1661; 296.1425; 281.1185; 241.0875

  

n.d

9

1.739

9-oxooctadeca-10,12,15-trienoic acid

C18H28O3

291.1966

0.8

5.0

291.1962; 273.1875; 247.2096; 223.1671; 195.1379

  

n.d

10

1.917

Hexyl coumarate

C15H20O3

247.1343

1.3

6.0

247.1344; 163.0402; 145.0296; 119.0497; 117.0347

 

n.d

n.d

11

2.117

Hydroxylinoleic acid

C18H32O3

295.2286

2.5

3.0

295.2275; 277.2161; 195.1390

 

n.d

n.d

12

2.574

3-oxo-hydroxyurs-12-en-28-oic acid

C30H46O4

469.3340

3.5

8.0

469.3364; 451.3252; 407.3337

 

n.d

n.d

13

2.748

Tuberonic acid

C12H18O4

225.1134

0.7

4

 

n.d

n.d

 

14

3.208

Octyl coumarate

C17H24O3

275.1654

0.5

6.0

275.1654; 163.0391; 145.0292; 119.0505; 117.0352; 118.0420

 

n.d

n.d

15

3.584

Hydroxydecenoic acid

C10H18O3

185.1189

3.1

2.0

185.1187; 167.1084; 125.0972; 113.0975

n.d

n.d

 

16

3.709

Hydroxy-3-oxo-ursa-1,12-dien-28-oic acid

C30H44O4

467.3171

0.9

9.0

467.3192; 449.3066

 

n.d

n.d

17

4.151

Linalool hexoside (I)

C16H28O6

361.1871

[M + FA]

n.c

3.0

361.1868; 315.1809; 245.1194; 101.0239

n.d

n.d

 

18

4.301

Linalool hexoside (II)

C16H28O6

361.1871

[M + FA]

n.c

3.0

361.1863; 315.1829; 161.0456; 101.0253

n.d

n.d

 

19

4.348

Linolenic acid

C18H30O2

277.2179

2.1

4.0

277.2180

  

n.d

20

4.563

Ursolic acid

C30H48O3

455.3544

2.9

7.0

455.3550

 

n.d

n.d

21

5.163

Linoleic acid

C18H32O2

279.2329

−0.2

3.0

279.2336

  

n.d

22

5.377

Dehydroursolic acid

C30H46O3

453.3390

3.5

8.0

453.3407; 407.3341

 

n.d

n.d

23

5.849

Palmitic acid

C16H32O2

255.2332

1.0

1.0

255.2325

  

n.d

24

6.104

Oleic acid

C18H34O2

281.2489

1.1

2.0

281.2490

  

n.d

25

7.239

Stearic acid

C18H36O2

283.2643

0.2

1.0

283.2648

  

n.d

  1. Bold values refer to the base peak detected
  2. n.d. not detected, n.c. not calculable, RDB Ring Double Bonds