CAS

Name

Molecular Formula

Monoisotopic mass

LogP

CCS

Retention Time (min)

Fragment ions

485-71-2

(−)-Cinchonidine

C₁₉H₂₂N₂O

294.1732

3.35

167.39

3.06

277.17024, 167.073, 168.08053, 235.12465, 130.06529

486-56-6

(−)-Cotinine

C₁₀H₁₂N₂O

176.0950

−0.23

141.79

0.55

146.06051, 80.04909, 118.06517, 117.05619, 149.07128

485-35-8

(−)-Cytisine

C₁₁H₁₄N₂O

190.1106

0.07

137.49

0.55

148.07555, 146.06033, 133.05311, 120.08138, 131.07201

490-46-0

(−)-Epicatechin

C₁₅H₁₄O₆

290.0790

0.49

162.49

3.01

139.03908, 147.04411, 123.04441, 163.03839

54-11-5

(−)-Nicotine

C₁₀H₁₄N₂

162.1157

0.72

147.12

0.56

133.07562, 147.09203, 121.07706, 135.09166, 122.09588

6106-81-6

(−)-Scopolamine N-oxide

C₁₇H₂₁NO₅

319.1420

−0.49

169.52

2.65

172.09697, 154.08654, 94.06543, 155.09351, 136.07622

485-49-4

(+)-Bicuculline

C₂₀H₁₇NO₆

367.1056

2.88

179.08

4.08

307.06043, 277.04977, 279.06483, 190.08645, 176.06796

13552-72-2

(+)-Isocorydine

C₂₀H₂₃NO₄

377.1394

−

180.93

4.15

279.10073, 308.12824, 264.07808, 265.08513, 311.12807

480-18-2

(+)-Taxifolin

C₁₅H₁₂O₇

304.0583

1.82

167.14

3.96

153.01885, 287.05523

7562-61-0

(+)-Usnic acid

C₁₈H₁₆O₇

344.0896

2.3

172.08

13.06

327.08637, 233.08098, 330.07354, 261.07594, 303.08658

53392-66-8

(±)-6'-Bromolaudanosine

C₂₁H₂₆BrNO₄

435.1045

4.78

192.38

5.63

206.11815, 311.1286, 314.15159, 228.98615, 405.07055

15251-47-5

(±)-Anabasine

C₁₀H₁₄N₂

162.1157

0.85

138.31

1.17

146.09542

500-64-1

(±)-Kavain

C₁₄H₁₄O₃

230.0943

1.69

149.63

8.24

129.06786

128-62-1

(±)-Noscapine

C₂₂H₂₃NO₇

413.1475

2.83

194.97

4.52

220.09683, 353.10218, 205.07304, 350.07839, 381.11988

564-20-5

(3aR)-(+)-Sclaerolide

C₁₆H₂₆O₂

250.1933

4.32

162.67

12.47

189.16413

41849-35-8

10-Hydroxyaconitine

C₃₄H₄₇NO₁₂

661.7370

0.32

240.57

8.89

602.29597, 542.27484, 570.26976, 552.25919, 612.28032

64439-81-2

10-Hydroxycamptothecin

C₂₀H₁₆N₂O₅

364.1059

1.32

188.35

4.98

321.12346, 265.09683, 184.06328, 264.08871, 247.08709

108664-98-8

16-Oxocafestol

C₁₉H₂₄O₂

284.1776

4.4

165.19

12.19

147.08108, 241.15973, 133.06724, 213.12742, 219.17459

471-53-4

18-β-Glycyrrhetinic acid

C₃₀H₄₆O₄

470.3396

6.57

215.33

12.96

453.33651, 317.21131, 425.34187, 407.33094, 189.16393

15345-89-8

5,6-Dehydrokawain

C₁₄H₁₂O₃

228.0786

1.8

151.78

8.81

201.09113, 152.06191, 186.06731, 168.05705, 183.08071

42079-78-7

5-Methoxyflavone

C₁₆H₁₂O₃

252.0786

3.47

150.56

8.3

238.06269, 237.05512, 210.06797, 108.02084, 136.01554

38183-04-9

6,7-Dihydroxyflavone

C₁₅H₁₀O₄

254.0579

3.62

152.6

6.55

237.05496, 129.03376, 153.01867, 107.01305, 77.03844

5932-53-6

6-Hydroxytropinone

C₈H₁₃NO₂

155.0946

−1

134.91

0.49

138.09117, 98.05977

6665-86-7

7-Hydroxyflavone

C₁₅H₁₀O₃

238.0630

3.32

149.28

7.11

129.03364, 137.02345, 77.03838, 103.05418, 221.06074

18051-16-6

9,10-Dihydrolysergol

C₁₆H₂₀N₂O

256.1576

1.87

158.17

2.88

208.11224, 167.0735, 154.06539, 180.08141, 168.08015

480-44-4

Acacetine

C₁₆H₁₂O₅

284.0685

3.15

159.24

8.64

242.05737, 270.05244, 153.01848, 241.04957, 159.04516

509-20-6

Aconine

C₂₅H₄₁NO₉

499.5940

−1.63

204.03

2.93

450.24863, 468.25919, 418.22241, 482.27484, 436.23298

302-27-2

Aconitine

C₃₄H₄₇NO₁₁

645.3149

0.39

238.59

7.44

586.30083, 526.28009, 494.25337, 596.28516, 522.2498

4360-12-7

Ajmaline

C₂₀H₂₆N₂O₂

326.1994

0.78

172.63

4.37

182.09643, 144.08104, 220.11185, 239.15503, 167.07318

481-72-1

Aloe-emodine

C₁₅H₁₀O₅

270.0528

3.382

153.04

7.91

225.05459, 241.049, 253.04966, 224.04699, 235.03759

88321-09-9

Aloxistatin

C₁₇H₃₀N₂O₅

342.2155

2.36

187.56

8.97

228.12297, 172.09679, 182.0808, 325.21334, 140.03412

55869-99-3

Anisodamine

C₁₇H₂₃NO₄

305.1627

0.25

169.64

2.71

140.10724, 122.09678, 91.0545, 276.15754

642-15-9

Antimycin A1

C₂₈H₄₀N₂O₉

548.2734

4.68

229.14

15.03

243.07293, 265.01893, 287.06362, 186.01743, 307.18885

38966-21-1

Aphidicolin

C₂₀H₃₄O₄

338.2457

1.69

206.61

18.44

149.13299, 233.22664, 135.11702, 219.21051, 205.19398

520-36-5

Apigenin

C₁₅H₁₀O₅

270.0528

2.103

155.86

6.42

153.01809, 145.02877, 229.04894, 253.04886, 119.04931

313-67-7

Aristolochic acid A

C₁₇H₁₁NO₇

341.0536

3.41

168.53

9.22

267.06482, 239.06936, 308.05581

63968-64-9

Artemesinin

C₁₅H₂₂O₅

282.1467

2.27

167.4

9.74

205.12266

495-02-3

Auraptene

C₁₉H₂₂O₃

298.1569

5.69

169.37

13.64

189.05476, 175.03903, 215.07024, 203.0707, 227.07071

13395-02-3

Aristolactam I

C₁₇H₁₁NO₄

293.0688

2.97

161.99

9.19

279.05261, 251.05769

25274-27-5

Aristolone

C₁₅H₂₂O

218.1671

−

155.3

10.99

163.11174, 177.12739, 175.11174, 149.09609, 147.08044

55-48-1

Atropine

C₃₄H₄₆N₂O₆

289.1731

−

170.21

3.24

227.9906, 124.1118, 91.0541

19879-30-2

Bavachinin A

C₂₁H₂₂O₄

338.1518

4.93

188.49

11.59

219.10198, 271.09689, 283.09713, 147.04438, 269.08142

466-24-0

Benzoylaconine

C₃₂H₄₅NO₁₀

603.7000

0.9

236.01

6.02

554.27484, 572.28541, 522.24863, 586.30106, 540.25919

63238-66-4

Benzoylhypacoitine

C₃₁H₄₃NO₉

573.6740

−

229.39

6.27

542.27484, 480.23806, 510.24863, 460.21185, 384.21693

63238-67-5

Benzoylmesaconine

C₃₁H₄₃NO₁₀

589.6740

−

233.13

5.61

540.25919, 558.26976, 508.23298, 572.28541, 526.24354

2086-83-1

berberine

C₂₀H₁₈NO₄+

336.1240

−0.67

160.8

2.69

323.1745, 306.1693

6078-17-7

Berbamine

C₃₇H₄₀N₂O₆

680.2420

−

241.68

0.54

381.18082, 578.25421, 593.26636, 367.16548, 174.09121

33570-04-6

Bilobalide

C₁₅H₁₈O₈

326.1002

−0.45

165.69

3.91

309.09666

491-80-5

Biochanin A

C₁₆H₁₂O₅

284.0685

3.139

160.93

8.87

269.04449, 253.04935, 158.03652, 152.01044, 153.01791

24939-16-0

Bis demethoxycurcumin

C₁₉H₁₆O₄

308.1049

3.39

180.56

9.06

147.04436, 119.04938, 131.04948, 189.05435, 107.04977

476-70-0

Boldine

C₁₉H₂₁NO₄

327.1471

2.32

178.22

3.27

265.08581, 297.1118, 282.08886, 239.07025, 267.06528

22260-51-1

Bromocriptine mesylate

C₃₃H₄₄BrN₅O₈S

749.2094

−

248.21

7.75

656.226, 303.0257

465-21-4

Bufalin

C₂₄H₃₄O₄

386.2457

3.42

197.47

8.45

351.23236, 369.24279, 255.21133, 333.22169, 305.22688

1354-84-3

Bullatine A

C₂₂H₃₃NO₂

343.2511

−

181.23

3.03

326.24784, 314.24784, 260.20089, 263.17943, 232.20598

107668-79-1

Bulleyaconotine A

C₃₅H₄₉NO₁₀

643.3356

1.67

247.35

8.19

584.32147, 552.29521, 520.26936, 524.26384, 612.31624

487-52-5

Butein

C₁₅H₁₂O₅

272.0685

2.66

162.66

6.28

255.06531, 163.03891, 137.02348, 145.02825, 135.04434

124753-97-5

C6 Ceramide

C₂₄H₄₇NO₃

397.3556

8.02

221.89

16.36

264.26884, 282.27979, 252.26905, 380.35284, 362.34236

469-83-0

Cafestol

C₂₀H₂₈O₃

316.2039

4.03

173.6

10.22

298.19282, 145.10157, 147.08106, 185.13092, 269.19033

81760-48-7

Cafestol acetate

C₂₂H₃₀O₄

358.2144

4.88

186.9

12.05

281.19027, 225.12802, 119.08588, 147.081, 131.08571

”58-08-2

Caffeine

C₈H₁₀N₄O₂

194.1900

−

137.79

2.75

195.08792, 138.06638, 110.07124, 139.06927

7689-03-4

Camptothecin

C₂₀H₁₆N₂O₄

348.1110

1.6

182.68

6.17

305.12872, 249.10211, 248.09503, 168.06882, 303.08853

404-86-4

Capsaicin

C₁₈H₂₇NO₃

305.1991

4.27

182.22

9.9

137.0599, 122.03643, 94.04105, 182.15386

19309-14-9

Cardamonin

C₁₆H₁₄O₄

270.0892

−

164.09

10.38

167.03389, 152.01041, 124.0155

1260-17-9

Carminic acid

C₂₂H₂₀O₁₃

492.0904

4.8

207.04

3.5

355.04621

2468-21-5

Catharanthine

C₂₁H₂₄N₂O₂

336.1838

4.05

179.25

5.76

144.08096, 143.07315, 219.10388, 218.0964, 248.14333

34157-83-0

Celastrol

C₂₉H₃₈O₄

450.2770

5.9

207.33

14.25

201.09101, 215.10666, 200.08318, 405.27881, 241.12231

483-17-0

Cephaeline

C₂₈H₃₈N₂O₄

466.2832

4.09

217.91

3.06

246.14901, 450.26393, 274.17962, 258.14914, 244.13291

481-49-2

Cepharanthine

C₃₇H₃₈N₂O₆

606.2730

5.229

241.48

5.07

365.14985, 174.09154, 576.23825, 380.17092, 591.24924

62-59-9

Cevadine

C₃₂H₄₉NO₉

591.3408

3.28

240.51

6.78

456.27477, 492.29586, 438.26465, 538.31728, 520.30681

476-32-4

Chelidonine

C₂₀H₁₉NO₅

353.1263

−

180.45

5.14

323.0914, 305.08084, 336.12303, 295.09649

480-40-0

Chrysine

C₁₅H₁₀O₄

254.0579

2.88

151.85

8.5

153.01852, 213.05492, 129.0335, 237.05447, 77.03859

470-37-1

Cinobufagin

C₂₆H₃₄O₆

442.2355

2.43

209.76

9.18

365.21097, 401.23231, 347.20076, 383.22168, 337.216

25425-12-1

Citreoviridin

C₂₃H₃₀O₆

402.2043

3.04

223.94

9.11

297.14829, 285.14863, 315.1592, 191.06956, 259.13348

518-75-2

Citrinin

C₁₃H₁₄O₅

250.0841

1.2

150.23

7.42

233.08117, 205.08636, 203.03412, 215.07068, 191.07053

22373-78-0

Coban

C₃₆H₆₁NaO₁₁

692.4111

−

244.97

16.1

461.28701, 479.29749, 599.39235, 501.31807, 443.27643

64-86-8

Colchicine

C₂₂H₂₅NO₆

399.1682

0.92

194.22

5.69

358.16501, 310.11848, 295.09703, 341.13955, 267.10134

7633-69-4

Condelphine

C₂₅H₃₉NO₆

449.2777

−0.3

198.91

3.54

432.27446, 386.23281, 418.25908, 358.2375, 400.24811

546-06-5

Conessine

C₂₄H₄₀N₂

356.3192

5.71

197.16

3.7

312.26884, 269.22614, 310.25539, 270.223, 159.1167

518-69-4

Corydaline

C₂₂H₂₇NO₄

369.1940

4.19

191.48

5.66

192.10211, 354.16944, 176.07091, 165.09131, 177.07832

630-94-4

Corynoxeine

C₂₂H₂₆N₂O₄

382.1893

−

194.66

5.23

351.17032, 267.14919, 160.07569, 201.10224, 319.1441

479-13-0

Coumestrol

C₁₅H₈O₅

268.0372

2.94

153.02

6.43

225.05457, 224.04621, 252.04117

79592-91-9

Crassicauline A

C₃₅H₄₉NO₁₀

643.7640

1.67

248.5

8.25

584.32179, 552.29558, 520.26936, 612.31671, 488.24315

35825-57-1

Cryptotanshinone

C₁₉H₂₀O₃

296.1412

4.93

167.22

11.78

279.13839, 254.09379, 282.12537, 268.10925, 249.0912

66-81-9

Cycloheximide

C₁₅H₂₃NO₄

281.1627

0.56

167.54

5.69

264.15873, 177.12855, 219.13808

4449-51-8

Cyclopamine

C₂₇H₄₁NO₂

411.3137

5.44

217.34

6.87

394.31086, 321.22156, 377.28467, 213.1641, 157.10133

14930-96-2

Cytochalasin B

C₂₉H₃₇NO₅

479.2672

3.71

218.11

8.37

462.26429, 444.25384, 416.25918, 426.24238, 398.24927

486-66-8

Daidzein

C₁₅H₁₀O₄

254.0579

2.78

152.53

5.38

237.05475, 137.02338, 145.02874, 131.04986, 147.04455

552-66-9

Daidzin

C₂₁H₂₀O₉

416.1107

0.45

198.74

4.01

245.04522, 219.02909, 191.03453, 165.018, 195.02943

55486-00-5

Decylubiquinone

C₁₉H₃₀O₄

322.2144

5.5

187.58

16.17

197.08094, 151.07569, 182.05748, 136.05186, 139.0394

67909-49-3

Dehydroevodiamine

C₁₉H₁₅N₃O

301.1215

−

169.02

5.07

286.09749, 272.08184, 140.04948, 229.07602

522-17-8

Degeulin

C₂₃H₂₂O₆

394.1416

5.03

194.38

11.08

191.07049, 203.07062, 177.05479, 241.08614, 198.06778

52358-55-1

Delcorine

C₂₆H₄₁NO₇

479.2883

1.16

201.72

4.55

386.23279, 448.26925, 418.25915, 354.207, 358.23793

509-18-2

Delsoline

C₂₅H₄₁NO₇

467.5950

−0.27

201.08

4.27

418.2588, 386.23258, 450.28501, 436.26936, 390.26389

6836-11-9

Deltaline

C₂₇H₄₁NO₈

507.6160

2.54

207.21

4.59

476.26428, 386.23258, 358.23767, 354.20637, 446.25371

474-08-8

Demissidine

C₂₇H₄₅NO

399.3501

7.46

204.52

8.06

98.09629, 161.13275, 255.21167, 382.3481, 159.1163

43043-74-9

Deoxyshikonin

C₁₆H₁₆O₄

272.1049

4.72

157.89

13.41

255.1016, 205.05031, 240.07801, 189.0561, 175.03928

10180-88-8

Desacetylmatricarin

C₁₅H₁₈O₄

262.1205

0.73

157.76

4.85

171.08071, 199.112, 172.08772, 184.08844, 217.1224

61939-05-7

Desoxypeganine

C₁₁H₁₂N₂

172.1001

0.16

134.79

2.29

144.06918, 130.06555, 117.05746, 143.0718, 118.06485

2270-40-8

Diacetoxyscirpenol

C₁₉H₂₆O₇

366.1678

1.33

180.29

6.57

175.11205, 159.08072, 173.09583, 91.05445, 105.07008

21851-07-0

Diacetylkorseveriline

C₃₁H₄₉NO₅

515.3611

5.65

238.5

6.94

456.34765, 396.3265, 378.31619, 454.33265, 394.31095

66-76-2

Dicoumarol

C₁₉H₁₂O₆

336.0634

3.548

168.32

11.61

163.03905, 121.02856, 175.03919, 77.0389, 95.04918

484-29-7

Dictamnine

C₁₂H₉NO₂

199.0633

−

136.25

7.86

185.04713

483-15-8

Dihydroberberine

C₂₀H₁₉NO₄

337.1314

−

180.6

5.01

322.10738, 292.09682, 294.11247, 280.09682

19408-84-5

Dihydrocapsaicin

C₁₈H₂₉NO₃

307.2147

−

189.47

11.06

137.05971, 122.03623, 94.04132, 172.16959

17479-19-5

Dihydroergocristine

C₃₅H₄₁N₅O₅

611.3108

−

238.06

7.56

270.16009, 350.1863, 594.30748, 253.13354, 225.13863

4382-33-6

Dihydrorobinetine

C₁₅H₁₂O₇

304.0583

0.8

166.96

2.64

137.02377, 287.05441, 179.03484

587-63-3

Dihydrokavain

C₁₄H₁₆O₃

232.1099

−

151.87

8.73

187.11174, 91.05423, 65.03858, 171.08044

6271-21-2

Dihydrolycorine

C₁₆H₁₉NO₄

289.1314

−

165.74

1.98

272.12812, 214.08626, 254.11756, 216.10191, 228.10191

20958-18-3

Dihydrotanshinone

C₁₈H₁₄O₃

278.0943

3.9

156.78

12.21

261.09135, 263.07057, 235.07642, 249.09111, 222.10371

520-34-3

Diosmetine

C₁₆H₁₂O₆

300.0634

3.1

164.49

6.76

258.05208, 286.04706, 257.04428, 153.01848, 161.06005

520-27-4

Diosmin

C₂₈H₃₂O₁₅

608.1741

2.05

247.07

4.85

301.07078, 463.12368, 286.04726, 258.05241, 407.07683

471-69-2

Dipterocarpol

C₃₀H₅₀O₂

442.3811

8.77

225.2

17.46

315.26748, 339.30589, 275.23989, 301.25331, 67.0541

14277-97-5

Domoic acid

C₁₅H₂₁NO₆

311.1369

0.61

168.73

2.98

266.13851, 248.12794, 220.13335, 202.12269, 193.12325

25316-40-9

Doxorubicin

C₂₇H₃₀ClNO₁₁

579.1508

−

229.29

5.78

321.076, 361.07113, 346.04709, 379.08129, 333.07679

22964-77-8

Dubinidine

C₁₅H₁₇NO₄

275.1158

1.35

159.27

3.95

216.10195, 188.07063, 186.05518, 258.11267, 170.06019

118-08-1

D-β-Hydrastine

C₂₁H₂₁NO₆

383.1369

2.66

185.54

4.45

323.09159, 293.08043, 190.08623, 295.09693, 324.12064

76684-89-4

E-64-C

C₁₅H₂₆N₂O₅

314.1842

1.36

178.54

6.77

200.09168, 172.09814, 132.03069, 184.16859, 144.02831

520-68-3

Echimidine

C₂₀H₃₁NO₇

397.2100

−0.1

194.06

4.4

120.08078, 220.13321, 380.20676, 336.18055, 238.14377

476-66-4

Ellagic acid

C₁₄H₆O₈

302.0063

0.52

158.17

3.75

257.01021

519-23-3

Ellipticine

C₁₇H₁₄N₂

246.1157

4.8

153.26

5.1

231.0915

316-42-7

Emetine

C₂₉H₄₀N₂O₄

552.2521

−

222.16

3.89

272.16492, 246.14938, 464.28024, 274.17982, 230.11841

518-82-1

Emodin

C₁₅H₁₀O₅

270.0528

5.03

151.52

10.1

253.04946, 135.04455

989-51-5

Epigallocatechin

C₂₂H₁₈O₁₁

458.0849

2.08

209.51

3.02

139.03873

4049-38-1

Eriodictyol

C₁₅H₁₂O₆

288.0634

2.59

164.48

5.51

153.01858, 163.0393, 145.02855, 135.04456, 117.03352

28649-59-4

Euphorbiasteroid

C₃₂H₄₀O₈

552.2723

5.55

222.63

13.21

297.18556, 315.19541, 213.12818, 357.20795, 227.14307

518-17-2

Evodiamine

C₁₉H₁₇N₃O

303.1372

1.636

169.18

9.13

171.09165, 161.07092, 144.08072, 116.04992, 134.06038

4540-25-4

Fillalbin

C₁₆H₂₁NO₄

291.1471

2.55

173.02

3.16

124.11236, 278.1392, 151.03833, 93.06976, 277.13157

528-48-3

Fisetin

C₁₅H₁₀O₆

286.0477

2.52

160.45

4.8

269.04574, 137.02355, 231.0672, 149.02427, 179.03439

3420-72-2

Flavokawain A

C₁₈H₁₈O₅

314.1154

3.96

173.3

12

181.04973, 166.02613, 161.06008, 138.03143, 133.06509

1775-97-9

Flavokawain B

C₁₇H₁₆O₄

284.1049

4.01

164.93

12.21

181.04978, 166.0263, 138.03133, 103.05439, 267.10228

485-72-3

Formononetin

C₁₆H₁₂O₄

268.0735

2.961

156.75

7.55

253.04964, 237.05482, 118.04153, 137.02379, 136.01636

80665-72-1

Fuziline

C₂₄H₃₉NO₇

453.5690

−1.32

196.66

3.34

436.26936, 404.24315, 418.2588, 386.23258, 376.21185

548-83-4

Galangin

C₁₅H₁₀O₅

270.0528

2.83

154.63

8.77

153.01828, 215.07061, 213.05446, 77.0385, 253.04928

1954-04-4

Galanthamine

C₁₇H₂₁NO₃

368.1292

−

167.36

0.56

213.09087, 198.06738, 270.14868, 183.04394, 225.09105

2752-65-0

Gambogic acid

C₃₈H₄₄O₈

628.3036

10.3

241.56

16.94

601.31663, 447.18005, 255.10185, 561.24849, 501.26359

35306-33-3

Gelsemine

C₂₀H₂₂N₂O₂

358.1448

−

170.91

2.97

306.17035, 236.10723, 195.06811, 238.12261, 140.10726

15291-77-7

Ginkgolide B

C₂₀H₂₄O₁₀

424.1369

0.52

185.76

5.61

361.12789, 305.10161, 343.11746, 315.12282, 389.12168

67-99-2

Gliotoxin

C₁₃H₁₄N₂O₄S₂

326.0395

0.52

167.14

0.55

233.12937, 116.05654, 146.0611, 91.0545, 168.91735

485-61-0

Graveoline

C₁₇H₁₃NO₃

279.0895

3.5

159.46

6.4

265.07265, 252.1014, 250.08605, 236.07004, 264.06545

304-21-2

Harmaline

C₁₃H₁₄N₂O

214.1106

0.66

146.57

4.24

200.0942, 174.09154, 159.06801, 131.07271, 157.07576

6028-00-8

Harmalol

C₁₂H₁₆N₂O₃

272.0928

−

142.47

2.7

160.07577, 184.07489, 159.06814, 158.06082, 142.06537

486-84-0

Harmane

C₁₂H₁₀N₂

182.0844

3.26

137.07

3.64

168.06825, 167.06187

442-51-3

Harmine

C₁₃H₁₂N₂O

212.0950

3.17

143.82

4.29

198.07929, 169.07605, 168.06853, 183.09267, 181.07521

40580-83-4

Harmol

C₁₂H₁₂N₂O₂

252.0666

−

140.42

2.85

184.06348, 169.07651, 181.07573, 183.05516

26833-85-2

Harringtonine

C₂₈H₃₇NO₉

531.2468

2.58

219.4

4.09

298.14408, 266.11788, 226.08673, 240.10217, 284.12823

303-33-3

Heliotrine

C₁₆H₂₇NO₅

313.1889

1.04

172.8

3.33

138.09147, 156.10176, 120.08099, 94.06509, 96.08074

6681-13-6

Hernandezine

C₃₉H₄₄N₂O₇

652.3149

2.75

254.17

5.46

411.19131, 622.28082, 606.24805, 174.09144, 426.21344

520-33-2

Hesperitine

C₁₆H₁₄O₆

302.0790

2.9

169.29

6.79

153.01853, 177.05485, 179.03405, 145.0288, 149.05979

3328-84-5

Heteratisine

C₂₂H₃₃NO₅

391.2359

0.07

183.11

2.74

342.20659, 360.21677, 374.23249, 181.08534, 297.14944

6879-74-9

Himbacine

C₂₂H₃₅NO₂

345.2668

4.64

184.88

6.61

302.28471, 185.13276, 328.26438, 269.22703, 145.10115

34000-39-0

Homobutein

C₁₆H₁₄O₅

286.0841

2.88

167.11

7.6

137.02366, 177.0548, 145.02856, 163.03902, 272.06805

446-71-9

Homoeriodictyol

C₁₆H₁₄O₆

302.0790

2.9

170.26

6.33

153.01841, 145.02841, 117.03356, 179.03354

4261-42-1

Homoorientin

C₂₁H₂₀O₁₁

448.1006

1.58

202.56

3.53

299.05509, 329.06537, 353.0653, 325.07057, 395.07593

102518-79-6

Huperzine A(-)

C₁₅H₁₈N₂O

242.1419

0.71

157.22

0.55

181.10216, 209.09469, 155.08821, 172.07557, 184.111

550-10-7

Hydrocotarnine

C₁₂H₁₅NO₃

221.1052

2.098

148.1

3.02

179.07062, 193.08638, 180.07823, 165.05398, 192.10173

63238-68-6

Hypaconine

C₂₄H₃₉NO₈

469.5680

−1.1

199.84

3.31

438.24863, 406.22241, 388.21185, 378.19111, 374.1962

6900-87-4

Hypaconitine

C₃₃H₄₅NO₁₀

615.7110

0.92

232.12

7.72

570.30614, 556.29049, 524.26428, 538.27993, 520.26936

77029-83-5

Hypocrellin A

C₃₀H₂₆O₁₀

546.1526

3.88

214.56

11.64

487.13891, 529.14961, 471.10784, 457.09213, 429.0968

123940-54-5

Hypocrellin B

C₃₀H₂₄O₉

528.1420

4.73

215.03

12.21

487.13854, 471.10726, 457.09153, 429.09657, 472.11241

18059-10-4

Imperialine

C₂₇H₄₃NO₃

429.3243

3.9

212.77

4.69

412.32106, 331.22692, 370.27501, 96.08087, 313.21771

4491-19-4

Indaconitine

C₃₄H₄₇NO₁₀

629.7380

0.54

241.41

7.71

570.30614, 538.27993, 520.26936, 506.25371, 552.29558

479-41-4

Indirubin

C₁₆H₁₀N₂O₂

262.0742

2.48

152.19

9.48

132.04448, 77.03862

133-32-4

Indole-3-butyric acid

C₁₂H₁₃NO₂

203.0946

2.34

143.17

6.6

130.06536

59086-90-7

Ingenol 3,20-dibenzoate

C₃₄H₃₆O₇

556.2461

7.89

236.85

14.69

457.19823, 335.16185, 455.18273, 313.17972, 267.17463

418-19-3

Isorhamnetine

C₁₆H₁₂O₇

316.0583

1.76

167.39

6.82

302.04225, 285.03914, 245.04393, 153.01832, 257.04435

552-57-8

Isorhoifolin

C₂₇H₃₀O₁₄

578.1636

1.05

236.04

4.6

271.06009, 433.113, 153.01859, 381.09642

480-43-3

Isosakuranetin

C₁₆H₁₄O₅

286.0841

3.84

165.48

8.58

153.01842, 161.05994, 133.06502, 269.08032, 118.04134

776-86-3

Isoscopoletine

C₁₀H₈O₄

192.0423

0.83

134.41

3.66

178.02621, 150.03088, 122.03607, 149.02348, 121.02831

477-57-6

Isotetrandrine

C₃₈H₄₂N₂O₆

622.3043

3.55

247.9

0.55

381.18085, 592.26983, 174.09118, 384.1578, 400.19206

4759-48-2

Isotretinoin

C₂₀H₂₈O₂

300.2089

6.83

175.16

15.57

283.20693, 255.21161, 185.09581, 201.16533, 173.13239

469-59-0

Jervine

C₂₇H₃₉NO₃

425.2930

3.46

218.64

5.55

408.29, 313.21616, 295.20567, 391.26356, 311.20095

520-18-3

Kaempferol

C₁₅H₁₀O₆

286.0477

2.05

158.28

6.6

153.01834, 229.04933, 231.06525, 269.04468, 147.0439

17353-03-6

Kaempferol-7- neohesperidoside

C₂₇H₃₀O₁₅

594.1584

1.92

237.77

4.66

287.05492, 449.10734, 331.10017, 231.06407

81760-47-6

Kahweol Acetate

C₂₂H₂₈O₄

356.1988

4.23

205.03

10.54

267.13819

487-79-6

Kainic acid

C₁₀H₁₅NO₄

213.1001

0.5

143.87

0.56

174.09117, 168.10226, 122.09657, 150.09259, 179.07125

39089-30-0

Karacoline

C₂₂H₃₅NO₄

377.5180

−0.26

183.16

2.69

360.25332, 328.22711, 342.24276, 310.21654, 332.22202

142273-20-9

Kenpaullone

C₁₆H₁₁N₂OBr

326.0055

4.02

166.78

8.84

247.08645, 281.99244, 282.98819

82-02-0

Khellin

C₁₄H₁₂O₅

260.0685

1.77

148.87

6.55

231.02886, 163.00278, 246.05214, 203.03409, 230.05749

525-79-1

Kinetin

C₁₀H₉N₅O

215.0807

1.201

144.95

2.72

148.06192, 119.0356, 136.06201, 81.03331, 121.05116

32854-75-4

Lappaconitine

C₃₂H₄₄N₂O₈

584.7000

2.13

236.09

5.53

567.30648, 535.28026, 356.22202, 324.19581, 388.24824

25999-20-6

Lasalocid A

C₃₄H₅₃NaO₈

612.3638

−

242.49

15.97

377.26643, 393.24084, 359.2561, 481.25708, 237.18544

125697-92-9

Lavendustin A

C₂₁H₁₉NO₆

381.1212

3.61

184.63

4.22

136.03909, 256.06036, 148.03995, 258.07658, 154.0494

125697-91-8

Lavendustin B

C₂₁H₁₉NO₅

365.1263

4.44

180.72

5.55

240.06384, 242.08384, 148.03963, 241.07348, 77.03859

17946-87-1

Leucomisine

C₁₅H₁₈O₃

246.1256

1.92

155.17

7.18

173.09621, 158.07251, 159.07986, 201.12763, 191.14354

1180-71-8

Limonin

C₂₆H₃₀O₈

470.1941

1.66

203.31

8.07

425.19641, 367.1913, 213.09182, 453.19222, 409.20116

154-21-2

Lincomycin

C₁₈H₃₄N₂O₆S

406.2137

0.91

199.63

0.56

359.21752, 126.12784, 389.21023, 393.20487, 317.2071

134-63-4

Lobeline

C₂₂H₂₂NO₂

373.1808

−

186.62

6.27

200.14373, 216.13847, 320.20126, 218.15442, 96.08094

491-70-3

Luteolin

C₁₅H₁₀O₆

286.0477

2.4

160.09

5.67

153.0183, 269.04469, 161.02357, 245.04468, 135.04352

52187-80-1

Luteolin-3',7-

diglucoside

C₂₇H₃₀O₁₆

610.1534

−3.49

238.5

3.79

287.055, 449.10702

10285-07-1

Lycopsamine

C₁₅H₂₅NO₅

299.1730

−

169.99

2.4

156.10191, 138.09134, 94.06513, 120.08078, 256.15433

528-43-8

Magnolol

C₁₈H₁₈O₂

266.1307

3.938

161.13

11.59

197.06019, 211.07499, 225.09148, 239.10664, 181.06528

490-54-0

Maritimein

C₂₁H₂₀O₁₁

448.1006

−1.42

212.09

4.1

287.05458, 153.01804, 269.04466, 161.0236, 285.03922

519-02-8

Matrine

C₁₅H₂₄N₂O

248.1889

1.44

156.64

1.67

148.11269, 150.12739, 176.10689, 220.17153, 190.12255

73-31-4

Melatonin

C₁₃H₁₆N₂O₂

232.1212

0.96

154.87

4.72

174.0914, 158.06023, 144.07927, 117.05761

58-27-5

Menadion

C₁₁H₈O₂

172.0524

−

175.86

7.84

105.03394

6792-9-2

Mesaconine

C₂₄H₃₉NO₉

485.5680

−2.16

201.3

2.52

436.23298, 404.20676, 454.24354, 468.25919, 422.21733

2752-64-9

Mesaconitine

C₃₃H₄₅NO₁₁

631.7110

−0.14

235.9

7.18

572.28541, 540.25919, 512.26428, 522.24863, 582.26976

57432-61-8

Methylergonovine

C₂₄H₂₉N₃O₆

455.2056

−

184.53

3.46

223.12311, 208.076, 207.09138, 208.0989, 297.16008

13614-98-7

Minocycline

C₂₃H₂₂N₃O₇

493.1616

−

208.44

3.19

441.16568, 352.11786, 337.09503, 423.15595, 215.05784

315-22-0

Crotaline

C₁₆H₂₃NO₆

325.1525

−0.37

172.5

1.79

280.15411, 237.13624, 194.11796, 120.08096, 298.1635

529-44-2

Myricetin

C₁₅H₁₀O₈

318.0376

2.11

167.45

4.68

261.03926, 153.01827, 301.0345, 163.0391, 165.01806

35891-70-4

Myriocin

C₂₁H₃₉NO₆

401.2777

4.21

202.8

9.17

384.27543, 275.17572, 320.2584, 304.26466, 338.2686

607-91-0

Myristicin

C₁₁H₁₂O₃

192.0786

3.264

136.77

5

177.05746

480-41-1

Naringenin

C₁₅H₁₂O₅

272.0685

3.19

160.04

6.39

153.0184, 147.04449, 119.04937, 255.06401, 231.06458

466-26-2

Neoline

C₂₄H₃₉NO₆

437.5700

−1.69

195.59

3.51

420.27445, 388.24824, 356.22202, 370.23767, 362.23258

20069-05-0

Nitrarine

C₂₀H₂₅N₃

379.1582

−

174.02

2.76

223.123, 225.13798, 170.09664, 182.09548, 158.09669

6880-54-2

Norfluorocurarine

C₁₉H₂₀N₂O

292.1576

3.27

167.03

3.89

247.12397, 263.15466, 235.12337, 265.16972, 264.13635

475-83-2

Nuciferine

C₁₉H₂₁NO₂

295.1570

−

171.63

5.8

265.12231, 235.07536, 250.09883, 219.08044, 207.08044

303-47-9

Ochratoxin A

C₂₀H₁₇NO₆

403.0823

4.31

187.73

9.49

239.0105, 221.00014, 193.0051, 358.08445, 165.01047

508-02-1

Oleanolic acid

C₃₀H₄₈O₃

456.3604

9.06

210.77

14.96

439.35762, 393.35232, 203.17996, 189.16416, 411.36268

579-13-5

Oligomycin A

C₄₅H₇₄O₁₁

790.5231

6.17

286.07

15.02

773.51968, 755.50894, 683.44917, 737.49852, 447.34702

484-12-8

Osthole

C₁₅H₁₆O₃

244.1099

3.87

155.58

10.56

189.05488, 161.05996, 159.04451, 203.07063, 187.03915

19666-76-3

Panaxadiol

C₃₀H₅₂O₃

460.3916

7.64

220.05

16.58

425.37836, 443.38893, 285.25843, 189.16415, 217.1957

32791-84-7

Panaxatriol

C₃₀H₅₂O₄

476.3866

5.94

222.26

11.85

459.38392, 441.37322, 187.14848, 189.16433, 367.30057

61-25-6

Papaverine

C₂₀H₂₁NO₄

375.1237

−

185.3

5.14

324.12315, 202.08628, 171.06788, 308.09194, 296.1282

36101-54-9

Peganole

C₁₁H₁₂N₂O

188.0950

−1.01

137.95

1.75

120.04451, 172.07565, 144.08095, 143.0731, 92.04976

1182-87-2

Peruvoside

C₃₀H₄₄O₉

548.2985

2.25

244.76

7.09

353.21152, 335.20165, 325.21709, 307.20661

57-47-6

Physostigmine

C₁₅H₂₁N₃O₂

275.1634

1.22

166.52

3.22

160.07593, 174.09142, 162.09156, 147.0676, 218.14151

554-62-1

Phytosphingosine

C₁₈H₃₉NO₃

317.2930

5.18

199.57

11.44

282.27907, 300.28967, 270.27904, 264.26856, 252.26862

10083-24-6

Piceatannol

C₁₄H₁₂O₄

244.0736

2.69

158.37

4.16

227.06915, 135.04347

17617-45-7

Picrotoxinin

C₁₅H₁₆O₆

292.0947

−0.13

156.52

5.04

247.09689, 275.0889, 219.10205, 193.05148

54-71-7

Pilocarpine

C₁₁H₁₆N₂O₂

208.1212

−0.09

146.33

1.74

163.12327, 95.0602, 147.09241, 191.11742, 135.09176

94-62-2

Piperine

C₁₇H₁₉NO₃

285.1365

2.66

173.37

9.44

201.05459, 171.04433, 173.05957, 135.04425, 159.04435

5947-49-9

Podocarpic acid

C₁₇H₂₂O₃

274.1569

4.27

160.15

0.55

210.06592, 131.05055, 105.03266, 109.06562, 157.06617

487-24-1

Pratol

C₁₆H₁₂O₄

268.0735

3.59

157.25

7.21

226.06266, 254.05757, 225.0551, 255.06254, 137.02365

14152-28-4

Prostaglandin A₁

C₂₀H₃₂O₄

336.2301

3.61

192.26

8.18

289.21701, 117.06994, 105.06963, 191.14253, 275.2016

124-97-0

Protoveratrine B

C₄₁H₆₃NO₁₅

809.4198

0.75

299.48

6.52

792.41709, 774.40698, 732.395, 658.3587, 714.38581

6164-62-1

Pseudopelletierine

C₉H₁₅NO

189.0920

−

135.83

0.56

112.11292, 96.0813, 113.11846, 94.06372

76-78-8

Quassin

C₂₂H₂₈O₆

388.1886

2.22

184.35

6.7

223.09706, 208.07339, 163.07566, 177.09097, 203.1066

6151-25-3

Quercetin

C₁₅H₁₄O₉

338.0638

−

162.63

5.72

245.04436, 285.03932, 153.01859, 287.05367, 247.05897

56-54-2

Quinidine

C₂₀H₂₄N₂O₂

324.1837

−

174.69

3.54

307.18068, 264.13803, 253.13418, 160.07588, 172.07562

130-95-0

Quinine

C₂₀H₂₄N₂O₂

324.1837

−

176.88

3.65

307.18088, 253.13436, 172.07573, 184.07573, 160.07578

61281-38-7

R(+)-Schisandrin A

C₂₄H₃₂O₆

416.2199

5.87

196.91

13.12

402.20411, 347.14914, 386.20901, 355.15432, 317.102

12772-57-5

Radicicol

C₁₈H₁₇ClO₆

364.0714

1.53

174.29

7.02

197.00021, 224.99493, 192.0419, 227.01056, 347.06928

50-55-5

Reserpine

C₃₃H₄₀N₂O₉

608.2734

4.046

252.45

8.06

397.21181, 195.06549, 448.19682, 365.18613, 174.09158

501-36-0

Resveratrol

C₁₄H₁₂O₃

228.0786

3.139

154.29

5.92

211.07427, 210.06858

480-54-6

Retrorsine

C₁₈H₂₅NO₆

351.1682

−0.14

180.73

3.11

324.18139, 276.15996, 322.16577, 120.08111, 138.09181

90-19-7

Rhamnetine

C₁₆H₁₂O₇

316.0583

2.58

167.65

7.77

271.05991, 302.04185, 167.03416, 299.05505, 257.04404

17306-46-6

Rhoifolin

C₂₇H₃₀O₁₄

578.1636

1.72

235.37

4.7

271.05961, 433.11307, 153.01811, 313.06905, 270.05276

13292-46-1

Rifampicin

C₄₃H₅₈N₄O₁₂

822.4052

1.09

289.5

10.14

791.38636, 399.16586, 469.17304, 163.11205, 299.06632

82-08-6

Rottlerin

C₃₀H₂₈O₈

516.1784

8.66

221.6

14.58

323.12803, 219.0654, 335.12804, 231.06563, 177.05487

84-26-4

Rutaecarpine

C₁₈H₁₃N₃O

287.1059

2.031

162.28

9.37

271.08699, 243.09071, 242.08391, 169.07613, 262.09893

61281-37-6

S(-)-Schisandrin A

C₂₃H₂₈O₆

400.1886

6.46

190.69

13.71

386.17331, 331.11835, 370.1782, 371.18442, 355.15425

101467-40-7

Salsoline

C₁₁H₁₅NO₂

193.1103

0.87

145.61

1.66

162.09158, 146.06105

493-48-1

Salsolodine

C₁₂H₁₇NO₂

207.1259

1.63

151.25

2.52

191.10616, 176.08289, 161.05916

481-06-1

Santonin

C₁₅H₁₈O₃

246.1256

1.6

155.54

6.79

173.09627, 158.07256, 201.12769, 157.06482, 172.08785

20310-89-8

Saponarin

C₂₇H₃₀O₁₅

594.1584

−1.21

239.7

3.49

283.06018, 313.07072, 337.07094, 379.08135, 397.09203

126-19-2

Sarsasapogenin

C₂₇H₄₄O₃

416.3290

6.21

212.39

17.13

255.2108, 273.22125, 173.13258, 159.11727, 147.11713

549-23-5

Sclerotiorin

C₂₁H₂₂lO₅

390.1234

3.12

202.46

13.66

303.11524, 349.12074, 331.11028, 181.00535, 259.05244

92-61-5

Scopoletin

C₁₀H₈O₄

192.0423

1.28

133.8

3.88

178.02615, 150.03079, 122.03617, 149.02396, 121.0292

5610-40-2

Securinine

C₁₃H₁₅NO₂

217.1103

0.596

146.99

1.24

84.08004, 172.11183

130-01-8

Senecionine

C₁₂H₁₅NO₃

221.1052

2.098

177.92

3.97

308.18611, 120.08133, 138.09147, 290.17594, 220.13402

480-81-9

Seneciphylline

C₁₈H₂₃NO₅

333.1580

−1.88

176.54

3.46

306.16998, 120.08078, 288.15942, 138.09134, 94.06513

2318-18-5

Senkirkine

C₁₉H₂₇NO₆

365.1840

−0.27

180.74

4.35

168.10191, 150.09134, 348.18055, 122.06004, 140.07061

-

Sevedindione

C₂₇H₄₁NO₃

427.3087

3.21

210.82

5.09

410.30527, 398.30538, 380.25921, 126.12682, 162.12728

22888-70-6

Silybine

C₂₅H₂₂O₁₀

482.1213

2.59

212.03

6.46

435.10847, 419.11263, 465.11919, 153.01884, 311.05591

2306-27-6

Sinensetine

C₂₀H₂₀O₇

372.1209

3.08

186.64

8.14

343.0812, 357.0969, 329.10206, 315.08634, 313.0707

115-53-7

Sinomenine

C₁₉H₂₃NO₄

329.1627

1.25

173.96

2.78

207.04413, 223.07513, 239.07017, 241.08629, 209.05944

32685-93-1

SipeiMine-3β-D-glucoside

C₃₃H₅₃NO₈

591.3771

−

271.68

4.32

574.3738, 412.32, 430.3315

83-95-4

Skimmianine

C₁₄H₁₃NO₄

259.0845

2.86

149.84

6.89

227.05758, 244.06036, 216.06555, 202.04948, 201.04212

80-78-4

Solasodine

C₂₇H₄₃NO

397.3345

7.1

203.64

6.28

380.33192, 382.31164, 327.28993, 98.0958, 253.1961

509-24-0

Songorine

C₂₂H₃₁NO₃

357.2304

0.71

178.46

2.82

340.22711, 322.21674, 296.14101, 294.18479, 306.18719

6160-12-9

Spartein

C₁₅H₃₈N₂O₉S

422.2298

−

154.11

2.09

98.0962, 190.15894

10048-13-2

Sterigmatocystin

C₁₈H₁₂O₆

324.0634

1.62

164.88

9.59

281.04424, 310.04699, 253.04943, 254.05582, 309.03933

3930-19-6

Streptonigrin

C₂₅H₂₂N₄O₈

506.1438

−0.43

224.12

8.69

461.14659, 489.1415, 446.12283, 431.09967, 429.11665

120-05-8

Sulfuretine

C₁₅H₁₀O₅

270.0528

1.98

159.62

5.36

253.04965, 161.02423, 147.04417, 149.02369, 163.03933

20501-56-8

Talatisamine

C₂₄H₃₉NO₅

421.5700

−0.5

194.88

3.91

390.26389, 358.23767, 372.25332, 340.22711, 326.21146

568-73-0

Tanshinone IIA

C₁₈H₁₂O₃

276.0786

4.443

153.8

11.64

221.09506, 206.07203

33069-62-4

Taxol

C₄₇H₅₁NO₁₄

853.3309

7.38

293.81

10.5

531.19937, 308.08969, 591.22003, 324.06401, 469.18367

6474-90-4

Teterahydroalstonine

C₂₁H₂₄N₂O₃

352.1787

2.88

182.95

5.49

144.08082, 222.11306, 143.07312, 321.15958, 178.08621

518-34-3

Tetrandrine

C₃₈H₄₂N₂O₆

622.3043

3.55

249.29

5.22

381.18117, 580.26809, 174.09124

77-59-8

Tomatidine

C₂₇H₄₅NO₂

415.3450

6.15

209.56

8.39

398.34217, 255.21097, 273.22177, 161.13267, 159.1175

33224-01-0

Trans-4-Cotininecarboxylic acid

C₁₁H₁₂N₂O₃

220.0848

−0.6

150.74

1.13

185.13289, 143.08513, 129.06869, 145.10081, 131.08528

302-79-4

tretinoin

C₂₀H₂₈O₂

300.2089

6.83

175.97

15.31

283.20691, 159.11708, 213.12697

38748-32-2

Triptolide

C₂₀H₂₄O₆

360.1570

0.2

185.87

6.17

255.10157, 229.08592

38647-11-9

Triptonide

C₂₀H₂₂O₆

358.1420

−

186.15

8.08

313.14344, 344.12544, 271.09649

74285-86-2

Triptophenolide

C₂₀H₂₄O₃

312.1730

4

181.67

10.32

225.12739, 253.12231, 267.17434, 271.13287, 185.09609

13220-57-0

Tryptanthrin

C₁₅H₈N₂O₂

248.0586

2.163

146.29

7.68

130.02892, 75.02269, 194.06005, 90.03379, 171.01851

69-33-0

Tubericidin

C₁₁H₁₄N₄O₄

266.1015

−0.12

158.03

0.55

135.06666, 118.04036, 117.05746, 177.07549, 119.06819

77-52-1

Ursolic acid

C₃₀H₄₈O₃

456.3604

9.01

212.77

15.03

439.35737, 203.18036, 189.16454, 191.18, 119.08614

50591-64-5

Vasicine

C₁₁H₁₂N₂O

188.0950

−0.997

138.72

1.94

171.09189, 154.06564, 118.06532, 144.0807, 143.07338

60-70-8

Veratramine

C₂₇H₃₉NO₂

409.2981

4.9

214.61

5.74

295.20596, 392.29529, 171.11721, 277.19536, 157.10148

71-62-5

Veratridine

C₃₆H₅₁NO₁₁

673.3462

3.48

271.28

6.43

492.29528, 456.2743, 603.31543, 162.1268, 354.18914

143-67-9

Vinblastine

C₄₆H₅₈N₄O₉

810.4203

4.18

290.32

6.86

751.40589, 542.30137, 793.41458, 749.38941, 524.28823

1617-90-9

Vincamine

C₂₁H₂₆N₂O₃

354.1943

3.1

181.02

4.99

337.19101, 294.14884, 280.13308, 308.1625, 264.10185

2068-78-2

Vincristine

C₄₆H₅₈N₄O₁₄S

922.3670

−

291.11

6.37

809.41158, 807.39511, 765.38615, 763.36812, 705.3636

2182-14-1

Vindoline

C₂₅H₃₂N₂O₆

456.2260

2.2

198.24

6.62

188.10739, 397.2129, 173.08371, 439.2234, 379.20264

71486-22-1

Vinorelbine

C₄₅H₅₄N₄O₈

778.3942

4.69

283.56

7.87

510.27632, 617.34985, 719.38262, 619.36171, 615.33479

42971-09-5

Vinpocetin

C₂₂H₂₆N₂O₂

350.1994

5.14

185.27

7.07

280.13307, 266.11736, 322.17775, 294.14866, 308.16447

82-57-5

Visnagin

C₁₃H₁₀O₄

230.0579

2.26

140.91

6.6

216.04211, 187.03947, 176.01077, 148.01579, 147.00811

3681-93-4

Vitexin

C₂₁H₂₀O₁₀

432.1057

1.28

196.35

3.97

313.07099, 283.06033, 415.10255, 397.092, 337.07125

524-12-9

Wedelolactone

C₁₆H₁₀O₇

314.0427

2.75

163.37

5.93

297.03944, 269.0449, 259.06024, 161.02375, 299.02005

37239-51-3

Wilfordine

C₄₃H₄₉NO₁₉

883.2900

1.2

284.97

10.06

856.30224, 866.28659, 838.29168, 674.24433, 176.07061

37239-47-7

Wilforgine

C₄₁H₄₇NO₁₉

857.2740

1.2

276.95

10.34

840.27094, 686.24433, 178.08626, 798.26038, 746.26546

11088-09-8

Wilforine

C₄₃H₄₉NO₈

867.2950

2.2

282.15

11.1

850.29168, 686.24433, 746.26546, 178.08626, 808.28111

84104-71-2

Wilforlide A

C₃₀H₄₆O₃

454.3450

6.9

209.31

14.97

437.3409, 201.1644

37239-48-8

Wilfortrine

C₄₁H₄₇NO₂₀

873.2690

0.3

281.6

9.28

846.2815, 856.26585, 828.27094, 674.24433, 176.07061

632-85-9

Wogonin

C₁₆H₁₂O₅

284.0685

2.14

158.16

8.44

270.0521, 241.04929, 252.04142, 269.0441, 168.00566

19545-26-7

Wortmannin

C₂₃H₂₄O₈

428.1471

0.81

193.08

7.44

266.14835, 143.07223, 283.09857, 268.07454, 247.09901

500-62-9

Yangonin

C₁₅H₁₄O₄

258.0892

1.75

159.63

8.82

231.10205, 216.07856, 171.08104, 199.07548, 161.06023

65-19-0

Yohimbine

C₂₁H₂₆N₂O₃

390.1710

−

186.8

4.62

144.08077, 212.12806, 143.07301, 224.12944, 321.15984

70578-24-4

Yunaconitine

C₃₅H₄₉NO₁₁

659.7640

0.61

250.81

7.77

600.31671, 568.29049, 550.27993, 536.26428, 582.30614

17924-92-4

Zearalenone

C₁₈H₂₂O₅

318.1467

3.83

172.87

9.27

301.14391, 185.05954, 189.05474, 187.07561, 203.07092

471-05-6

Zerumbone

C₁₅H₂₂O

218.1671

5.34

151.84

11.87

163.11234, 149.09644, 135.08088, 161.09631, 121.06486

18695-01-7

α-Apo-Oxytetracycline

C₂₂H₂₂N₂O₈

442.1376

−0.85

195.27

3.86

426.11856, 408.10867, 229.05008, 390.09912, 337.07011

20562-02-1

α-Solanine

C₄₅H₇₃NO₁₅

867.4980

5.67

345.59

6.28

398.34176, 380.33183, 473.35207

5289-74-7

β-Ecdysone

C₂₇H₄₄O₇

480.3087

−0.53

222.6

5.81

409.27407, 445.2965, 299.16476, 463.30461, 311.20223

4707-32-8

β-Lapachone

C₁₅H₁₄O₃

242.0943

2.82

149.95

8.9

159.04412, 187.03897, 183.04415, 225.09093, 105.03367