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Table 1 The metabolites assignments from NMR spectra of serum from PDAC micea

From: Non-invasively predicting differentiation of pancreatic cancer through comparative serum metabonomic profiling

Abbreviation Metabolites 1H chemical shift(multiplicity)b
1-MH 1-Methylhistidine 7.06(s), 7.78(s)
3-HB 3-Hydroxybutyrate 1.20(d), 2.31(dd), 2.40(m), 4.16(m)
Ace Acetate 1.92(s)
AA Acetoacetate 2.28(s)
Act Acetone 2.24(s)
Ala Alanine 1.48(d)
All Allantoin 5.39(s)
Bet Betaine 3.27(s), 3.90(s)
Cho Choline 3.20(s)
Cit Citrate 2.53(d), 2.67(d)
Cr Creatine 3.04(s), 3.93(s)
Eth Ethanol 1.18(t), 3.61(q)
For Formate 8.46(s)
Fum Fumarate 6.52(s)
Glu Glutamate 2.08(m), 2.11(m), 2.35(m), 3.75(t)
Gln Glutamine 2.14(m), 2.45(m), 3.75(t)
G Glycerol 3.55(m), 3.66(dd), 3.78(m)
GPC Glycerolphosphocholine 3.23(s), 4.33(m)
Gly Glycine 3.56(s)
His Histidine 7.08(s), 7.82(s)
HOD Residual water signal 4.76(br)
IB Isobutyrate 1.07(d)
Ile Isoleucine 0.94(t), 1.01(d)
L1 LDL 0.86(br), 1.28(br)
L2 VLDL 0.89(br), 1.30(br), 1.58(br)
L3 Unsaturated fatty acid 2.04(br), 2.24(br), 2.76(br), 5.31(br)
Lac Lactate 1.33(d), 4.11(q)
Leu Leucine 0.96(d)
Lys Lysine 1.46(m), 1.73(m), 1.91(m), 3.03(m), 3.76(t)
Mal Malonate 3.11(s)
Met Methionine 2.14(s), 2.63(t)
MG Methylguanidine 2.83(s), 3.36(s)
Mol Methanol 3.36(s)
m-I myo-Inositol 3.52(dd), 3.61(dd), 4.07(m)
NAG N-acetyl glycoprotein 2.03(s)
Phe Phenylalanine 7.32(d), 7.37(t), 7.42(dd)
PC Phosphocholine 3.21(s)
Py Pyruvate 2.37(s)
Suc Succinate 2.40(s)
Thr Threonine 1.33(d), 4.26(m)
TMA Trimethylamine 2.89(s)
Trp Tryptophan 7.27(m), 7.30(s), 7.54(d), 7.73(d)
Tyr Tyrosine 6.90(d), 7.19(d)
Urea Urea 5.80(br)
Val Valine 0.99(d), 1.04(d)
α-Glc α-Glucose 3.42(t), 3.54(dd), 3.71(t), 3.73(m), 3.84(m), 5.24(d)
β-Glc β-Glucose 3.24(ddb), 3.41(t), 3.46(m), 3.49(t), 3.90(dd), 4.65(d)
  1. a PDAC pancreatic ductal adenocarcinoma
  2. bmultiplicity:s, singlet; d, doublet; t, triplet; q, quartet; dd, doublets; m, multiplet; br, broad resonance