. 2020 Jan 29;9:1524. doi: 10.3389/fonc.2019.01524

Table 3.

Details of 26 significant differential metabolites in serum treated with GEM plus nab-PTX.

Name	Group	Molecular formula	Ion (m/z)	RT/ min	ESI mode	Cells	Relative amount		Tendency GP/C
							C group	GP group
l-Glutamine	AA-2	C₅H₁₀N₂O₃	145.0612	1.60	M – H	BxCP-3	100, 858.01 ± 26, 654.03	165, 680.92 ± 33, 971.42	↑^*
l-Kynurenine	AA-3	C₁₀H₁₂N₂O₃	207.0760	2.92	M – H	BxCP-3	10, 289.70 ± 2, 792.33	18, 523.54 ± 6, 410.56	↑^*
l-Methionine	AA-4	C₅H₁₁NO₂S	150.0582	2.21	M + H	BxCP-3	1, 527, 308.62 ± 294, 582.65	2, 929, 715.33 ± 915, 061.74	↑^**
l-Tyrosine	AA-8	C₉H₁₁NO₃	182.0809	2.82	M – H	BxCP-3	1, 515, 704.13 ± 328, 839.50	970, 572.20 ± 224, 505.36	↓^*
Butyryl-l-carnitine	AC-2	C₁₁H₂₁NO₄	232.1539	3.27	M + H	BxCP-3	328, 765.96 ± 111, 974.77	531, 315.52 ± 154, 237.69	↑^*
Glutaryl-l-carnitine	AC-6	C₁₂H₂₁NO₆	276.1417	2.91	M + H	BxCP-3	1, 590.03 ± 1, 239.03	5, 617.75 ± 1, 394.57	↑^**
l-Carnitine	AC-11	C₇H₁₅NO₃	162.1125	1.60	M + H	BxCP-3	478, 734.52 ± 75, 644.77	666, 970.91 ± 163, 211.37	↑^*
Tetradecanoyl-l-carnitine	AC-16	C₂₁H₄₁NO₄	372.3096	6.62	M + H	PANC-1	48, 142.37 ± 24, 332.88	21, 425.17 ± 5, 220.49	↓^*
Tetradecenoyl-l-carnitine	AC-17	C₂₁H₃₉NO₄	370.2954	6.09	M + H	BxCP-3	28, 793.33 ± 6, 584.81	40, 284.70 ± 1, 940.42	↑^*
Valeryl-l-carnitine	AC-18	C₁₂H₂₃NO₄	246.1699	3.58	M + H	PANC-1	80, 376.63 ± 29, 982.71	33, 188.45 ± 5, 045.77	↓^**
(±)4-HDoHE	FA-1	C₂₂H₃₂O₃	343.2267	8.22	M – H	BxCP-3	153, 912.65 ± 56, 049.42	52, 282.64 ± 38, 203.78	↓^*
(R)-3-Hydroxy-hexadecanoic acid	FA-3	C₁₆H₃₂O₃	271.2264	8.19	M – H	BxCP-3	7, 816.33 ± 1, 749.10	4, 582.38 ± 1, 124.62	↓^*
20-OH-LTB4	FA-4	C₂₀H₃₂O₄	335.2218	7.28	M – H	BxCP-3	83, 417.60 ± 27, 509.39	23, 527.91 ± 18, 339.80	↓^**
9-Octadecenoic acid	FA-5	C₁₈H₃₃FO₂	345.2425	9.10	M + FA – H	BxCP-3	68, 422.44 ± 26, 889.19	26, 507.56 ± 21, 073.88	↓^*
LysoPC(17:0)	LPC-4	C₂₅H₅₂NO₇P	554.3449	9.23	M + FA – H	BxCP-3	395, 547.41 ± 64, 972.63	196, 621.61 ± 86, 953.89	↓^**
LysoPC(20:5)	LPC-9	C₂₈H₄₈NO₇P	542.3233	7.13	M + H	BxCP-3	56, 917.91 ± 8, 015.03	114, 121.17 ± 45, 269.36	↑^*
LysoPC(P-16:0)	LPC-11	C₂₄H₅₀NO₆P	524.3342	8.79	M + FA – H	BxCP-3	34, 629.60 ± 2, 605.61	23, 511.35 ± 4, 520.37	↓^**
LysoPE(0:0/20:5)	LPE-1	C₂₅H₄₂NO₇P	500.2783	7.06	M + H	BxCP-3	11, 551.74 ± 1, 758.15	23, 039.08 ± 7, 784.94	↑^**
Succinoadenosine	NuA	C₁₄H₁₇N₅O₈	382.0974	2.94	M – H	BxCP-3	3, 640.45 ± 1, 127.16	8, 718.73 ± 3, 377.89	↑^**
3-Hydroxyadipic acid	OA-2	C₆H₁₀O₅	161.0442	1.57	M – H	BxCP-3	54, 113.53 ± 7, 009.07	85, 338.89 ± 17, 658.29	↑^**
Lactic acid	OA-8	C₃H₆O₃	91.0396	2.17	M + H	PANC-1	1, 222, 994.07 ± 281, 880.94	2, 032, 773.50 ± 563, 307.86	↑^*
Pyrroline hydroxycarboxylic acid	OA-11	C₅H₇NO₃	130.0505	1.57	M + H	BxCP-3	58, 256.40 ± 14, 372.76	106, 881.93 ± 37, 585.06	↑^*
Uric acid	OA-12	C₅H₄N₄O₃	169.0353	2.39	M + H	BxCP-3	1, 643, 466.59 ± 278, 101.45	934, 122.96 ± 535, 837.31	↓^*
d-Galactose	Sca-2	C₆H₁₂O₆	179.0552	1.57	M – H	BxCP-3	480, 657.67 ± 52, 785.37	746, 257.70 ± 151, 525.57	↑^**
Chenodeoxycholate	ST-3	C₂₄H₄₀O₄	391.2832	6.80	M – H	PANC-1	26230.45 ± 15, 995.87	3, 139.13 ± 4, 144.19	↓^*
Succinic anhydride	Others-2	C₄H₄O₃	101.0239	2.80	M + H	PANC-1	16567.11 ± 5, 262.97	40971.71 ± 19040.09	↑^*

Details of the 26 significant differential metabolites in serum after treatment with GEM plus nab-PTX, compared with no treatment. Relative amount in LC-MS were represented as mean values ± standard deviation.

Significant difference (P < 0.05) compared with C group.

^**

Significant difference (P < 0.01) compared with C group.

RT, retention time; ESI, electrospray ionization; GP, GEM plus nab-PTX; C, untreated.