Evidence-Based Complementary and Alternative Medicine

Research Article

Decompression Mechanism of Radish Seed in Prehypertension Rats through Integration of Transcriptomics and Metabolomics Methods

Table 3

Identification of significant differential metabolites after the intervention of RS in model rats by UPLC-Q-exactive MS/MS.


No.	Ion mode	tR(min)	Formula	Measured mass m/z	MS2	Compound name	HMDB_ID	Error ppm	PHT vs. C	Rvs. PHT

1	Pos	19.43	C₆H₁₂N₂O₄S₂	241.0309 (M + H)	151.9835, 120.0116, 122.0272, 76.9286	L-Cystine	HMDB0000192	2.904	Down	Down
2	Pos	0.73	C₈H₁₄N₃O₇P	296.0657 (M + H)	104.1074, 236.9923, 86.097, 169.9858, 105.1107	5-Aminoimidazole ribonucleotide	HMDB0001235	5.742	Down	Up
3	Pos	1.50	C₈H₁₆O₂	306.2636 (2M + NH₄)	172.9535, 154.9421	Valproic acid	HMDB0001877	6.680	Up	Down
4	Pos	5.68	C₁₄H₁₂O₃	251.0701 (M + Na)	56.9656, 205.0374, 228.0539	Resveratrol	HMDB0003747	6.891	Up	Down
5	Pos	0.78	C₅H₉NO₄	192.0242 (M + 2Na − H)	151.035, 128.0191	L-Glutamic acid	HMDB0000148	3.854	Down	Up
6	Pos	4.83	C₁₀H₁₂N₄O₆	285.0828 (M + H)	153.0406, 133.0496	Xanthosine	HMDB0000299	2.455	Down	Up
7	Pos	0.84	C₇H₁₄N₂O₃	197.0896 (M + Na)	80.9485, 179.0903, 82.9456, 138.0524	N-Acetylornithine	HMDB0003357	2.892	Down	Up
8	Pos	14.74	C₂₀H₃₂O₅	375.2138 (M + Na)	—	Prostaglandin E2	HMDB0001220	2.585	Up	Up
9	Pos	2.49	C₆H₁₀O₃	175.0342 (M + 2Na − H)	74.9316, 115.9577, 133.9679, 128.951	4-Methyl-2-oxovaleric acid	HMDB0000695	3.085	Up	Down
10	Pos	1.76	C₆H₆N₂O₂	139.0422 (M + H)	84.9603, 77.0063, 81.0706, 95.0861, 102.9707	Nicotinamide-N-oxide	HMDB0002730	−7.994	Up	Down
11	Pos	1.24	C₄H₉NO₃	120.0655 (M + H)	72.0815, 61.0405, 73.0848, 103.0547, 55.0552, 74.0607	L-Homoserine	HMDB0000719	4.164	Down	Up
12	Pos	12.88	C₁₈H₃₇NO₂	300.2893 (M + H)	270.2787, 282.2787	3-Dehydrosphinganine	HMDB0001480	2.997	Down	Up
13	Pos	2.76	C₈H₉NO	199.0841 (M + CH₃CN + Na)	154.0419, 156.0388, 155.0455	2-Phenylacetamide	HMDB0010715	3.114	Down	Up
14	Pos	11.03	C₁₃H₂₀O	239.1639 (M + H + HCOOH)	221.1535, 193.1586, 175.148	Alpha-ionone	HMDB0059883	3.261	Down	Up
15	Pos	17.50	C₄₂H₇₈NO₁₀P	752.5192 (M + H − 2H₂O)	184.0732, 146.9818	PS (18 : 1(9Z)/18 : 1(9Z))	HMDB0012390	5.023	Down	Up
16	Pos	14.01	C₂₀H₃₀O₃	283.2053 (M + H − 2H₂O)	265.1948, 223.1479	12-HEPE	HMDB0010202	3.107	Down	Up
17	Pos	15.17	C₂₀H₃₄O₃	305.2471 (M + H − H₂O)	119.0857, 93.0704, 105.0702, 133.1011, 147.1168, 175.1117	15S-Hydroxy-8Z, 11Z, 13E-eicosatrienoic acid	HMDB0005045	3.079	Down	Up
18	Pos	11.04	C₂₁H₃₆O₃	405.2632 (M + Na + HCOOH)	363.1469, 351.2314	Pregnanetriol	HMDB0006070	3.825	Down	Up
19	Pos	16.56	C₂₇H₄₄O₂	401.3411 (M + H)	383.3298, 97.0652, 177.1275, 384.3336, 95.0859, 81.0704	7-alpha-hydroxy-4-cholesten-3-one	HMDB0001993	1.993	Down	Down
20	Pos	15.76	C₂₂H₃₄O₂	331.2627 (M + H)	105.0702, 119.0857, 91.0547, 131.0856, 81.0705	cis-7, 10, 13, 16, 19-Docosapentaenoic acid	HMDB0006528	3.019	Down	Up
21	Pos	8.86	C₄₂H₈₃O₈P	810.6051 (M + CH₃CN + Na)	114.0916, 209.1645, 322.2485, 228.1591	PA (20 : 0/i-19 : 0)	HMDB0115641	7.624	Down	Up
22	Pos	17.76	C₄₂H₈₄NO₈P	806.5682 (M + 2Na − H)	184.0731, 86.0969, 185.0766	PE-NMe (18 : 0/18 : 0)	HMDB0112975	3.670	Down	Up
23	Pos	17.76	C₄₀H₇₈NO₈P	754.5369 (M + Na)	184.0731, 59.0499, 86.097	PE-NMe (20 : 0/14 : 1(9Z))	HMDB0113280	0.967	Up	Down
24	Pos	13.69	C₂₀H₃₂O₆	391.2087 (M + Na)	149.0235	Thromboxane B3	HMDB0005099	2.479	Up	Up
25	Pos	5.58	C₅H₁₁NO₂Se	244.0108 (M + H + HCOOH)	156.0387, 202.044, 157.0422	Seleno-L-methionine	HMDB0003966	8.278	Up	Down
26	Pos	12.18	C₉H₁₃N₅O₃	222.0964 (M + H-H₂O)	201.5828, 190.0749, 202.0844, 165.0489	7,8-Dihydro-L-biopterin	HMDB0000038	9.686	Up	Up
27	Pos	4.01	C₁₀H₁₃N₅O₄	268.1039 (M + H)	136.0619, 137.0459	Adenosine	HMDB0000050	2.611	Up	Down
28	Pos	11.32	C₂₆H₄₃NO₅	467.3475 (M + NH₄)	414.2999, 432.3105, 415.3034	Glycochenodeoxycholic acid	HMDB0000637	−0.961	Down	Up
29	Neg	10.27	C₉H₁₄N₄O₃	451.2052 (2M − H)	96.968	L-Carnosine	HMDB0000033	0.937	Up	Down
30	Neg	1.03	C₅H₄N₄O₂	187.0004 (M + Cl)	96.968, 57.974, 87.0071, 128.0338	Xanthine	HMDB0000292	9.893	Up	Down
31	Neg	1.47	C₆H₁₂O₅	201.0162 (M − 2H + K)	164.8348, 162.8378	L-Fucose	HMDB0000174	4.527	Up	Down
32	Neg	10.49	C₂₄H₄₀O₅	443.2571 (M + Cl)	121.028, 113.0228	Allocholic acid	HMDB0000505	1.466	Down	Up
33	Neg	9.20	C₉H₁₀O₄	181.0495 (M − H)	96.9585, 61.9867, 153.9212	Dihydrocaffeic acid	HMDB0000423	0.137	Up	Up
34	Neg	10.11	C₁₂H₂₂O₁₁	342.1155 (M−)	164.115, 163.1116, 165.1184	Kojibiose	HMDB0011742	2.046	Up	Down
35	Neg	16.93	C₂₄H₄₀O₃	411.2675(M + Cl)	375.2904, 357.2799, 235.17, 376.2939	Lithocholic acid	HMDB0000761	2.310	Down	Up
36	Neg	19.99	H₃O₄P	194.9457 (2M − H)	160.8408, 96.9583	Hydrogen phosphate	HMDB0000973	1.539	Up	Down
37	Neg	14.92	C₂₀H₃₂O₃	639.4633 (2M − H)	319.2279, 179.1067, 320.2313	12R-HETE	—	1.407	Down	Up
38	Neg	14.79	C₂₂H₃₂O₃	379.2047 (M + Cl)	343.2279, 344.2314, 205.1226, 281.2274	16(17)-Epoxy-4Z, 7Z, 10Z, 13Z, 19Z-docosapentaenoic acid	HMDB0013621	1.978	Down	Up
39	Neg	14.79	C₂₂H₃₂O₃	325.2176 (M − H₂O − H)	163.1116, 149.0958	17-HDoHE	HMDB0010213	2.644	Down	Up
40	Neg	13.88	C₁₉H₂₈O₂	307.2048 (M + F)	271.2279, 272.2313, 225.2218	Androstanedione	HMDB0000899	8.138	Up	Down
41	Neg	11.90	C₁₉H₃₀O₅S	391.1533 (M − 2H + Na)	96.968, 78.9574, 96.9589, 293.1759	Androsterone sulfate	HMDB0002759	5.803	Up	Down
42	Neg	14.93	C₂₃H₃₂O₆	439.1873 (M + Cl)	96.968, 96.9584, 314.024, 118.8982	Hydrocortisone acetate	HMDB0014879	3.302	Up	Down
43	Neg	13.44	C₁₈H₃₂O₂	279.2329 (M − H)	237.2219, 238.2252	Linoleic acid	HMDB0000673	1.791	Down	Up
44	Neg	16.42	C₂₀H₃₂O₅	371.2229 (M + F)	217.1225, 195.1018, 163.1115, 149.0962	Lipoxin A4	HMDB0004385	1.347	Up	Down
45	Neg	14.78	C₄₈H₈₄NO₁₀P	864.5755 (M − H)	343.2278	PS (20 : 0/22 : 5(4Z, 7Z, 10Z, 13Z, 16Z))	HMDB0112535	0.000	Down	Up
46	Neg	15.86	C₄₈H₉₀NO₁₀P	870.6232 (M − H)	347.2589, 207.1382, 283.2643, 329.2485, 508.3403, 348.2623	PS (20 : 2(11Z, 14Z)/22 : 0)	HMDB0112585	0.919	Down	Up
47	Neg	17.43	C₅₀H₉₀NO₁₀P	876.6099 (M − H₂O − H)	339.2328, 340.2361, 163.1115, 303.233, 815.5432, 304.2362	PS (22 : 0/22 : 4(7Z, 10Z, 13Z, 16Z))	HMDB0112730	2.213	Down	Up
48	Neg	14.41	C₅₀H₈₈NO₁₀P	933.6308 (M − H + CH₃CN)	438.2989, 439.3022, 140.0104, 377.2462, 78.9574	PS (22 : 0/22 : 5(4Z, 7Z, 10Z, 13Z, 16Z))	HMDB0112731	2.731	Down	Up
49	Neg	15.09	C₅₀H₈₈NO₁₀P	892.6074 (M − H)	345.2434, 207.1382, 327.2331, 307.2646, 532.3407, 346.2474	PS (22 : 0/22 : 5(7Z, 10Z, 13Z, 16Z, 19Z))	HMDB0112732	0.672	Down	Up
50	Neg	12.66	C₁₁H₂₂O₂	185.1538 (M − H)	61.9867, 141.1272, 116.9271	Undecanoic acid	HMDB0000947	2.160	Up	Down
51	Neg	6.13	C₅H₁₁O₈P	228.9968 (M − H)	149.0595, 79.9557	Xylulose 5-phosphate	HMDB0000868	6.375	Up	Down
52	Neg	12.71	C₁₅H₂₁N₅O₁₃P₂	576.0356 (M + Cl)	159.8587, 157.8619, 540.059	Cyclic ADP-ribose	HMDB0249529	9.809	Up	Down