Table 2.

VIP scores matrix spectra Raman urine samples. n.r., not resolvable.

Signal	Value VIP scores	Urine peaks (cm−1)	Possible assignment
1	1.68	302	n.r
2	1.41	326	n.r
3	1.32	432	n.r
4	1.77	531	S–S stretching protein14
5	1.21	607	Creatinine, glycerol34,35
6	1.79	630	Glycerol, C–S gauche amino acid methionine35
7	1.25	642	Uric acid, C–C twisting mode of tyrosine15,35
8	2.07	660	C–S stretching mode of cystine collagen type II17,35
9	1.91	706	N–H Uric acid, C–S trans amino acid methionine16,35
10	2.35	726	DNA/RNA bases, hypoxanthine, C–S protein, CH2 rocking adenine15,35
11	1.24	770	Alanina19
12	1.97	786	Ring vibration cytosine, DNA O–P–O uracil, thymine16,35
13	1.31	801	Backbone geometry and phosphate ion interaction35
14	1.33	828	Glutathione, tyrosine PO2 stretch DNA phosphodiester, O–P–O stretching DNA/RNA15,35
15	1.49	894	Phosphodiester deoxyribose35
16	1.52	907	Creatinine, creatine, hydroxibutyrate34
17	1.34	935	C–C stretching mode of proline and valine and protein backbone34
18	2.16	993	Ring vibration uric acid, phenylalanine16
19	6.53	1008	N–C–N stretching urea, phenylalanine34,35
20	2.23	1026	C–H stretching phenylalanine14
21	2.85	1037	n.r
22	1.32	1064	Skeletal C–C stretch of lipids35
23	1.25	1089	Po2 stretch, phosphate, histidine, nucleic acid15,16,35,36
24	1.47	1100	C–C vibration mode of the gauche-bonded chain, amide III35
25	1.97	1121	C–N stretch protein backbone, vibrations C–O, C–C, C–N uric acid16,37
26	1.76	1146	C–C lipids, fatty acid35,36
27	1.68	1271	Amide III band in protein, amide III C–N stretch, C=C fatty acid, typical phospholipids35
28	1.35	1292	Interring stretching, cytosine35
29	1.47	1306	CH3/CH2 twisting or bending mode of lipid/collegen35
30	2.40	1327	CH3CH2 wagging mode in purine bases of nucleic acids35
31	3.25	1342	CH3, CH2 twisting nucleic acid, wagging protein, G(DNA/RNA), CH deformation protein and carbohydrates14,35,37
32	1.32	1378	Ring breathing modes DNA, paraffin16,35
33	1.62	1404	CH deformation35
34	1.71	1417	C=C stretching in quinoid ring35
35	1.17	1428	CH2 creatinine, valine15,17
36	1.20	1479	Amide III35

Significant values are in bold.