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. 2024 Jan 3;14:1230861. doi: 10.3389/fphar.2023.1230861

TABLE 4.

Information on the identification of differential endogenous metabolites in the plasma of rats with blood deficiency (trend: model vs. control group).

No. TR (time) Observed VIP Molecular formula Metabolites MS/MS fragment ion (m/z) Trend
m/z (ESI+)
1 11.28 560.3367 [M + FA + Li] + 10.66 C25H52NO7P LysoPC(17:0) (Wang et al., 2022) 86.0963, 104.1069, 184.0732, 500.2446, 524.3130, 542.3235
2 10.82 818.5822 [M + Na]+ 6.33 C45H83N2O7P SM(d20:1/20:4 (5Z,7E,11Z,14Z)-OH(9)) 337.2517, 355.2627, 373.2733, 799.5704
3 20.45 759.5700 [M + H]+ 5.41 C42H80NO8P PC(18:1 (9Z)-O (12,13)/P-16:0) 184.0732
4 15.37 546.3528 [M + Na]+ 4.45 C26H54NO7P LysoPC(0:0/18:0) 86.0946, 91.0535, 184.0655, 238.0989, 261.1334
5 9.54 305.2983 [M + H]+ 4.4 C20H32O2 Arachidonic acid (Bian et al., 2023) 44.9971
6 15.48 611.4128 [M + Na]+ 4.18 C39H56O4 Caffeoylcycloartenol 89.0608, 207.0626, 269.2481
7 15.31 613.4323 [M + CH3OH + H]+ 3.47 C33H56O8 DG (PGE2/0:0/10:0) 46.0655, 287.2359, 331.2636
8 10.45 464.2823 [M + H]+ 3.29 C22H23O11 LysoPA (20:2 (11Z,14Z)/0:0) 97.9759,105.0332, 207.0816, 311.1207, 405.2041
9 11.23 393.5709 [M + H]+ 3.06 C24H40O4 Chenodeoxycholic acid (Zhan et al., 2012) 82.0012, 128.1031
10 8.98 162.1985 [M + H]+ 2.92 C7H15NO3 L-Carnitine (Wu et al., 2016) 74.0486, 89.0711
11 14.78 759.5778 [M + H]+ 2.04 C42H80NO8P PE (15:0/22:2 (13Z,16Z)) 86.0964, 184.0730
12 7.16 301.1412 [M + Na]+ 1.78 C16H22O4 Diisobutyl phthalate 45.0338, 67.0544, 89.0602
13 1.06 90.0555 [M + H]+ 1.73 C3H7NO2 L-Alanine (Huang et al., 2018) 116.0936
14 11.03 637.5191 [M + H]+ 1.73 C41H81NO3 Ceramide (Li et al., 2022) 74.0459, 312.2797, 398.3083
15 6.32 176.0951 [M + H]+ 1.66 C6H13N3O3 Citrulline (Zhang, 2020) 143.7347, 156.9812
16 8.53 129.0658 [M + H]+ 1.65 C5H8N2O2 Dihydrothymine 76.1312
17 1.74 132.1735 [M + H]+ 1.64 C6H13NO2 L-Leucine (Zhu et al., 2020) 102.1044
18 3.61 147.0773 [M + H]+ 1.63 C5H10N2O3 L-Glutamine (Yang et al., 2013; Wang et al., 2015) 155.4121
19 15.59 482.2997 [M + H]+ 1.52 C28H37N2O5 Unknown 325.2018, 461.1941