Table 2 Serum differential metabolites detected by UPLC/QTOF-MS of AIS patients.

From: Identification of candidate diagnostic biomarkers for adolescent idiopathic scoliosis using UPLC/QTOF-MS analysis: a first report of lipid metabolism profiles

No.

metabolite

RT (min)

m/z

Main fragment

formula

Tendency in AIS

VIP

Pathway

S1

PC(40:4)

0.52

838.188

446.8888

C48H88NO8P

1.98

Glycerophospholipid metabolism

378.9026

258.899

226.9522

S2

2-Hexenoylcarnitine

0.56

256.8824

191.040

C13H23NO4

17.4

Camitine synthesis

162.113

118.0865

S3

Beta-D-Glucopyranuronic acid

0.80

315.0809

293.0620

C13H14O9

5.03

Glucuronidation

160.0907

132.0655

S4

DG(38:9)

3.26

635.3920

657.3838

C41H62O5

4.19

Glycerolipid metabolism

S5

MG(20:3)

5.54

381.1810

133.0848

C23H40O4

8.79

Glycerolipid metabolism

S6

LysoPC(18:2)

8.69

520.3414

542.3232

C26H50NO7P

33.38

Glycerophospholipid metabolism

483.2481

184.0735

S7

LysoPC(16:0)

8.89

518.3222

496.3406

C24H50NO7P

5.24

Glycerophospholipid metabolism

459.2487

  1. RT, retention time; VIP, variable importance in the projection; PC, phosphatidylcholine; DG, diacylglycerol; MG, monoacylglycerol; LysoPC, lysophosphatidylcholine.