Table 1 Application of plant metabolomics in the quality evaluation of CMM

Herbal source

Species identification

Glycyrrhiza Uralensis, Glycyrrhiza inflata or Glycyrrhiza glabra

/

DART (Direct Analysis in Real Time)-MS

1

Licochalcone A (LA)

Pain relief, antitussive, anti-inflammatory, anti-allergic, enhanced immunity

[56]

Artemisia afra and Artemisia annua

PCA

1D- and 2D-NMR

24

24 semi-polar components

Anti-malaria, anti-inflammatory, immunomodulatory

[57]

Astragalus membranaceus and Paeonia albiflora

KNN, LDA, SVM, PLS-DA

1H NMR and ICP-AES/ICP-MS

8

4-aminobutyrate, acetate, alanine, arginine, asparagine, benzoate, choline, citrate, glucose, etc

Regulation of immunity, suppression of inflammatory response, anti-oxidation, anti-tumor, anti-infection

[58]

Hippopahe gyantsensis., Hippopahe Neurocarpa and Hippopahe tibetana

PCA

1H-NMR

32

Flavonoids, amino acids, organic acids, and fatty acids

Regulation of metabolism, anti-tumor

[59]

Habitat identification

Panax ginseng

OPLS-DA

UPLC-Q-TOF–MS

23

Ginsenoside Rf, notoginsenoside R3 isomer, ginsenoside Ro and chikusetsusaponin Iva

Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, enhanced immune function

[60]

Panax ginseng

PCA and PLS-DA

RRLC-QTOF/MS

2

Ginsenosides

[61]

Astragalus membranaceus and Paeonia albiflora

LDA, KNN, SVM, PLS-DA

1H NMR and ICP-AES/ICP-MS

7

Calycosin, formononetin, linoleic acid, etc

Regulation of immunity, suppression of inflammatory response, anti-oxidation, anti-tumor, anti-infection

[62]

Taraxacum mongolicum

PCA, OPLS-DA,

HPLC-Q-TOF–MS

54

Guanosine 50

-monophosphate, phosphoric acid, gallic acid, catechol,

citraconic acid, cis-aconitate,, etc

diuresis, anti-inflammatory, and promote digestion

[63]

Herbal planting

Cultivated CMM quality evaluation

Ggarwood

PCA, OPLS-DA

UPLC-ESI-QTOF-MS

1

2-(2-phenylethyl) chromones

Antioxidant and bacteriostatic, analgesic and sedative, anti-inflammatory, anti-cancer

[64]

Panax quinquefolius

PCA

NMR

6

Sucrose, glucose, arginine, choline, and 2-oxoglutarate and malate

Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, enhanced immune function,etc

[65]

Panax ginseng

PCA, PLS

UPLC-ESI-QTOF-MS

40

Ginsenosides

[66]

Salvia miltiorrhiza

PCA, OPLS-DA

UPLC-Q-TOF/MS

17

Alkaloids

Anti-tumor, anti-atherosclerosis, anti-neuroinflammation, inhibiting myocardial hypertrophy

[67]

Heavy metals and agricultural residues detection

Sedum Alfredii

PCA, OPLS-DA

GC–MS

12

/

/

[68]

Lonicerae Japonicae Flos

PCA.OPLS-DA

UPLC/Q-Orbitrap-Full MS scan

29

Chlorogenic acids, iridoids and organic acid-glucosides

Anti-virus, anti-lipids, anti-tumor factors, anti-bacterial, anti-allinflammatory

[69]

Herbal harvesting

Growth age Identification

Panax ginseng

PCA

UPLC-QTOF/MS

30

/

Prevent aging, eliminate fatigue, improve memory, anti—aging, anti—tumor

[70]

Panax ginseng

/

HPLC-MRM/MSA

301

ginsenosides

Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, enhanced immune function, etc

[32]

Polygala tenuifolia Willd

PCA

UPLC-QTOF-MS

26

Tenufolia, fructose, sucrose, choline, glycine, raffinose, onjisaponin Fg, polygalasaponin XXVIII, etc

Enhance Intelligence, sedative-hypnotic, expelling phlegm and arresting coughing, anti—inflammatory, neuro protection, etc

[71]

Harvest season identification

Panax ginseng

OPLS-DA

1H- NMR

24

Ginsenosides, arginine, sterols, fatty acids, and uracil diphosphate glucose–sugars

Enhancing learning and memory, strong hear, antishock, anti-myocardial ischemia, enhanced immune function, etc

[72]

Piper Sarmentosum

PCA

FTIR

/

/

Anti-amoebic, antibacterial, anti-neoplastic, neuromuscular blocking, hypoglycemic, antioxidant,etc

[73]

Pericarpium Citri Reticulatae (PCR) and Pericarpium Citri Reticulatae Viride (PCRV)

PCA

HPLC, HELP

16

Naringin, hesperidin, nobiletin, tangeretin

Anti-inflammatory, anti-oxidation, regulating metabolism, neuroprotection, anti-tumor

[74]

Different parts identification

Cistanche deserticola

PLS

UPLC-PDA-Q/TOF–MS

6

Echinacoside, cistanoside A and 2 ' -acetylacteoside

Neuroprotection, immunomodulation, anti-aging, anti-osteoporosis, protecting liver and protecting liver

[75]

Ginseng

PCA, OPLS-DA

UHPLC-QTOF/MS

81

Rutinum, 20(R)-Notoginsenoside R2, Ginsenoside F3, etc

Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, enhanced immune function, etc

[76]

Gentiana crasicaulis

PCA, OPLS-DA

UPLC-ESI-HRMSn

36

Hydroxycinnamic acid amides, trans-N-caffeoyl phenethylamine

Anti-inflammatory, anti-allergy, acesodyne

[77]

Mulberry

PCA, SIMCA

1HNMR

24

/

Anti-inflammatory, anti-oxidation, anti-tumor, hypoglycemic, anti-hyperlipidemia, liver protection

[78]

Clausena lansium (Lour.) Skeels

PCA, OPLS-DA

UPLC-Q-Orbitrap-MS

364

β-Alanine, 4-Pyridoxic acid, Phosphorylcholine, N-Acetylglutamic acid, N-Methyltyrosine, etc

Promote digestion, anti-influenza, relieve pain

[79]

Herbal processing

Metabolite change detection

Astragali Radix

OPLS-DA, PCA

UPLC-QTOF-MS

15

Calycosin-7-O-β-Dglucopyranoside, Calycosin, formononetin, (6αR, 11αR)- 10- Hydroxy-3, etc

Anti-tumor, protection of cardio-cerebrovascular, improvement of immune function, etc

[80]

Radix Polygala

/

UPLC-QTOF-MS\NMR

29

3,6′-disinapoylsucrose ester, amino acids,organic acid, and carbohydrates, total saponins

Enhance Intelligence, sedative-hypnotic, expelling phlegm and arresting coughing, anti—inflammatory, neuro protection, etc

[81]

Panax notoginseng

/

1H-NMR/ UPLC

29

Ginsenoside Rf, 20(S)‐pseudoginsenoside F11, malonyl gisenoside Rb1, etc

Anti-cancer, lipid-lowering, neuroprotection, endothelial cell protection, bone repair, anti-fibrosis

[82]

Rheum palmatum

PCA, OPLS-DA

UPLC/Q-TOF–MS

2

Emodin-8-O-glucoside and gallic acid-3-O-glucoside

Improve the digestive system, regulate the blood system, promote metabolism, affect the nervous system, etc

[83]

Aconitum carmichaelii Debx

PLS-DA, PCA

RPLC-Q-TOF/MS

22

Dehydrated Benzoylmesaconine, Dehydrated Benzoylaconine, 10-OH-Benzoylaconine, etc

Anti-inflammatory, relieve pain, anti-tumor, cardiovascular protection

[84]

Euphorbia pekinensis Root

PCA

UPLC-MS

7

3,3'-di-O-methylellagic acid-4'-O-β-D-xylopyranoside,3,3'-di-O-methyl ellagic acid, etc

Reversal of P-glycopprotein-mediated multidrug resistance, cytotoxicity, lipase inhibitory activity, etc

[85]

Processing methods evaluation

Panax notoginseng

PLS-DA, PCA

UHPLC/TOF MS

40

Ginsenoside Ra3/isomer, gypenoside XVII, quinquenoside R1, ginsenoside Ra7, notoginsenoside Fe, etc

Anti-cancer, lipid-lowering, neuroprotection, endothelial cell protection, etc

[86]

Ginseng

ANOVA

HPLC

10

Ginsenosides

Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, etc

[87]

Notopterygium franchetii

PCA, HCA

UHPLC-QTOF-MS–MS

30

Nodakenin, psoralen, bergapten, notopterol, imperatorin, and isoimperatorin

Anti-inflammatory, anti-oxidation, anti-arrhythmic, anti-bacterial, etc

[88]

Salvia miltiorrhiza

/

NMR and LC-DAD-MS

81

sugars, carboxylic acids and amino acids, polyphenolic acids and diterpenoids, etc

Anti-tumor, anti-neuroinflammation, inhibiting myocardial hypertrophy

[89]

Astragalus root

PCA

H-1 NMR /UPLC-MS

19

acetate, alanine, arginine, caprate, fumarate, glutamate, valine, and some xylem-related compounds

Anti-tumor, protection of cardio-cerebrovascular, improvement of immune function, etc

[90]

Herbal marketing

Hydrastis canadensis(goldenseal) canadensis

PCA

MS

12

Berberine, hydrastine, canadine, palmatine, coptisine, dihydrocoptisine

Antimicrobial, anti-inflammatory, hypolipidemic, hypoglycemic, antioxidant, neuroprotective, etc

[91]

Panax ginseng

OPLS-DA

1H NMR

15

/

Enhancing learning and memory, enhanced immune function, strong heart, antishock, etc

[92]

Panax ginseng

OPLS-DA, PCA

UPLC-QTOF-MS/MS

43

ginsenoside Rg3, a nitrogen-containing component, ginsenoside 20(R)-Rh, etc

Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, etc

[93]

Trichosanthis Radix

OPLS-DA, PCA

UPLC-ESI-QTOF-MS/MS, UPLC-ESI-QTRAP-MS/MS

25

5 sulfur-containing components, 20 non-sulfur marker metabolites

Anti virus, anti—tumor, odinopoeia

[94]

Rhodiola

PCA

NMR, HPTLC

/

salidroside

Lowering blood lipids and blood sugar, improve physical, mental, memory, attention and immunity, anti-aging, etc

[95]

Rhodiola

OPLS-DA

HPLC–UV, NMR

5

Coumarin, Crenulatin, rosavins

[96]

Angelica acutiloba

PCA

GC-TOF–MS

22

Sugars, fructose and glucose, phosphoric acid, proline, malic acid and citric acid

Improving anemia, protecting liver, immunomodulation, anti-tumor, anti-inflammatory

[97]