Table 1: 1H resonance assignments of the metabolites present in cancerous and healthy human ovarian tissues.

MetabolitesGroup1H chemical shift (ppm)13C chemical shift

1IsoleucineδCH30.9413.90
γCH31.0117.29
γCH21.5127.30
αCH3.6562.34

2LeucineδCH30.9623.50
δ ′CH30.9025.10
γCH1.71
βCH21.7142.51
αCH3.7456.05

3ValineγCH30.9919.26
γ ′CH31.0520.70
βCH2.3131.99

4EthanolCH31.1819.55
CH2OH3.6660.11

5Fatty acids (a)(2)CH21.2934.50
(1)CH21.3025.47

6Fatty acids (b)(2)CH22.0227.22
CH22.8128.14
(1)CH5.32130.55
(2)CH5.33132.36

7Fatty acids (a) (b)(n)CH21.2932.36

8Fatty acids (c)(2)CH21.5627.20

9LactateCH21.3322.70
CH4.1271.17

10LysineγCH21.4424.66
δCH21.7129.16
βCH21.9132.61
εCH23.0141.92

11AlanineβCH21.4818.89
αCH3.7853.27

12GlutamateβCH22.0729.77
γCH22.3536.00
αCH3.7757.15

13MethionineεCH22.1116.77

14GlutamineβCH22.14
γCH22.4533.51
αCH23.77

15Aspartic acidβCH2 (u)2.7039.17
βCH2 (d)2.8039.17
αCH3.9054.93

16Choline−N+-(CH3)33.21
βCH23.5269.96
αCH4.0758.36

17Phosphorylcholine−N+-(CH3)33.2356.58
βCH23.6268.89
αCH4.1960.92

18Glycerophosphocholine−CH2- 3.24
αCH24.3362.03
βCH23.6968.62
CH2-HPO2 (d)3.8869.37
CH2OH3.9373.43
CH2-HPO2 (u)3.9569.37

19ArginineγCH21.7226.67
βCH21.9230.26
δCH23.2343.27

20Taurine−CH2- 3.2650.22
−CH2- 3.4238.17

21ProlineδCH2 (u)3.3348.78
δCH2 (d)3.4148.78
αCH4.1064.39

22scyllo-Inositolall Hs3.3476.37

23myo-InositolC5H3.2777.11
C1H, C3H3.5373.84
C4H, C6H3.6175.06
C2H4.0674.93

24GlycineαCH3.5644.17

25ThreonineαCH3.5963.23
βCH4.2668.81

26Glycerol1,3 CH2OH(u)3.5865.06
1,3 CH2OH(d)3.6565.06
−CH(OH)-3.7874.85

27β-GlucoseC4H3.4172.44
C3H, C5H3.4778.60
C6H(u)3.7363.50
C6H(d)3.9063.50
C1H4.65

28α-GlucoseC1H5.23

29SerineαCH3.8459.12
βCH3.9963.09

30CreatineCH33.0339.66
CH23.9456.44

31AsparagineαCH4.0054.15

32Ascorbic acidCH2OH4.0272.12
C4H4.5280.96

33Succinic acid(α,β,CH2)2.41

34GlutathioneCH2-CONH2.5533.98
CH2-SH2.9628.40
CH-NH23.7846.07
CH-NH4.5858.40

35AcetateCH21.9326.00

363-hydroxybutyrateCH21.2024.29
βCH2(u)2.2949.11
βCH2(d)2.3949.11
CHOH4.15

37N Acetyl -LysineβCH2(u)1.69
βCH2(d)1.80
CH22.0424.80
εCH23.00
αCH4.15

38N Acetyl AspartateCH22.0224.65
αCH4.3955.97