Table 1 The metabolites assignments from NMR spectra of serum from PDAC mice^a

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)