Comprehensive Characterization of Serum Lipids of Dairy Cows: Effects of Negative Energy Balance on Lipid Remodelling
by
, , , ,
Zhiqian Liu
1,*,
Wenjiao Wang
1,2,
Joanne E. Hemsworth
1,
Coralie M. Reich
1,
Carolyn R. Bath
1,
Monique J. Berkhout
3,
Muhammad S. Tahir
1,
Vilnis Ezernieks
1,
Leah C. Marett
3,4
,
Amanda J. Chamberlain
1,4,
Mike E. Goddard
1,4 and
Simone J. Rochfort
1,5 1
Agriculture Victoria Research, AgriBio, 5 Ring Road, Bundoora, VIC 3083, Australia
2
College of Horticulture, Shanxi Agricultural University, Jinzhong 030801, Shanxi, China
3
Agriculture Victoria Research, Ellinbank Centre, Ellinbank, VIC 3821, Australia
4
School of Agriculture and Food, Faculty of Veterinary and Agricultural Sciences, The University of Melbourne, Melbourne, VIC 3010, Australia
5
School of Applied Systems Biology, La Trobe University, Bundoora, VIC 3083, Australia
*
Author to whom correspondence should be addressed.
Metabolites 2025, 15(4), 274; https://doi.org/10.3390/metabo15040274
Submission received: 26 March 2025
/
Revised: 9 April 2025
/
Accepted: 11 April 2025
/
Published: 15 April 2025
(This article belongs to the Special Issue Effects of Stress on Animal Metabolism)
Abstract
:Background: The presence and concentration of lipids in serum of dairy cows have significant implications for both animal health and productivity and are potential biomarkers for several common diseases. However, information on serum lipid composition is rather fragmented, and lipid remodelling during the transition period is only partially understood. Methods: Using a combination of reversed-phase liquid chromatography-mass spectrometry (RP-LC-MS), hydrophilic interaction-mass spectrometry (HILIC-MS), and lipid annotation software, we performed a comprehensive identification and quantification of serum of dairy cows in pasture-based Holstein-Friesian cows. The lipid remodelling induced by negative energy balance was investigated by comparing the levels of all identified lipids between the fresh lactation (5–14 days in milk, DIM) and full lactation (65–80 DIM) stages. Results: We identified 535 lipid molecular species belonging to 19 classes. The most abundant lipid class was cholesteryl ester (CE), followed by phosphatidylcholine (PC), sphingomyelin (SM), and free fatty acid (FFA), whereas the least abundant lipids included phosphatidylserine (PS), phosphatidic acid (PA), phosphatidylglycerol (PG), acylcarnitine (AcylCar), ceramide (Cer), glucosylceramide (GluCer), and lactosylceramide (LacCer). Conclusions: A remarkable increase in most lipids and a dramatic decrease in FFAs, AcylCar, and DHA-containing species were observed at the full lactation compared to fresh lactation stage. Several serum lipid biomarkers for detecting negative energy balance in cows were also identified.
1. Introduction
Lipids play key roles in various biological functions, such as energy storage, cell membrane structure, and signalling. Lipid metabolism in dairy cows involves complex biochemical pathways and regulation mechanisms during the gestation–lactation cycle. The transition period (three weeks pre- to three weeks post-calving) is considered the most nutritionally and metabolically demanding phase during the lactation cycle. For cows reaching positive energy balance (around 45 days after calving), dietary fats are the principal source of essential lipids for various physiological functions and milk production; however, nearly all cows experience a negative energy balance (energy demands for milk production exceed dietary intake) during the fresh lactation period [1], and they also mobilize fat reserves from adipose tissue to compensate for reduced dry matter intake and to support milk production [2]. Lipids of different origins, either absorbed from the diet, of rumen bacterial origin (via fermentation and biohydrogenation), or through the mobilization of adipose tissue, are all transported via the bloodstream to different organs. Consequently, the balance and concentration of serum lipids can be indicative of the animal’s metabolic status, nutrient intake, and overall health [3].
Serum lipid profiles can be influenced by various factors such as diet, lactation stage, and health conditions [4,5]. Alterations in lipid concentration during the transition period from late gestation to fresh lactation have been the subject of numerous studies [6,7,8,9]. It is widely recognized that during the transition period, increased lipid mobilization from adipose tissue results in elevated plasma free fatty acid (FFA) and ketone body β-hydroxybutyric acid (BHBA) levels [10,11,12,13]. However, the response and remodelling of the entire lipidome of serum to negative energy balance in transition cows is unclear.
Despite the recognized importance of serum lipids for the health, milk production, and reproductive performance of dairy cows, information on detailed serum lipid composition of lactating cows has been limited. Early research established that bovine serum lipids primarily consist of triglycerides (TAGs), phospholipids, cholesteryl esters (CEs), and non-esterified fatty acids (NEFAs) or FFAs [14]. The advancement of analytical technologies especially liquid chromatography-mass spectrometry (LC-MS) in recent decades has enabled the identification of serum lipids at the species level. For example, Imhasly et al. [6] reported the changing pattern of five classes and 32 species of plasma lipid during the transition period, and Rico et al. [15] recently identified 301 species of plasma lipids belonging to three lipid categories (TAG, phospholipid, and CE). However, a comprehensive serum lipid inventory of dairy cows that covers all lipid classes is still lacking.
In this study, we first compared the FA profile of fresh and full lactation serum to unveil the overall lipid composition change during negative energy balance in a pasture-based system. We then conducted a comprehensive serum lipid identification and quantification at the two lactation stages with the aim to build a bovine serum lipid library and to dissect the detailed lipid remodelling pattern. Finally, we performed serum lipidomic profiling of individual cows from two large cohorts (143 cows in 2022 and 218 cows in 2023) to identify the most sensitive biomarkers that are associated with cows in negative energy balance.
2. Materials and Methods
2.1. Serum Sample Collection
This research was conducted at the Agriculture Victoria Research Ellinbank SmartFarm in Victoria, Australia (38°14′ S, 145°56′ E) with approval from the Department of Energy, Environment and Climate Action (DEECA) Agricultural Research and Extension Animal Ethics Committee (approval code: AEC 2022-04; approval date: 11 May 2022). All procedures were conducted in accordance with the Australian Code of Practice for the Care and Use of Animals for Scientific Purposes (NHMRC, 2013).
Cows were grazing pasture and supplemented twice daily with a grain mix determined by general farm practice throughout the lactation. Pasture on offer was predominantly perennial ryegrass and was allocated to cows at approximately 25 kg DM/cow per day. The grain mix was offered to individual cows at milking times in the dairy parlour and generally comprised wheat, barley, and canola meal and offered at amounts ranging from 6 to 8 kg/cow/day, depending on stage of lactation and pasture availability. Cows were milked twice daily at ~7:00 and 15:00.
Blood samples were collected immediately after morning milking from a cohort of 149 and 225 spring-calving (July to September) Holstein-Friesian cows in 2022 and 2023, respectively, at two lactation stages: fresh lactation (5–14 DIM) and full lactation (65–80 DIM). Each cohort comprised both primiparous heifers and multiparous cows (age: 2–11 years; parity: 1–9; average daily milk production: 33 L). Cows that were sampled in 2022 were not sampled again in 2023. The large sample size aimed to cover the inter-cow variation in response to negative energy balance. Blood sampling was conducted via coccygeal venipuncture into 10 mL vacutainers containing clotting activators for serum collection (BD Vacutainer System, Plymouth, UK). Samples were incubated at 25 °C for 30 min before being centrifuged at 1300× g at 25 °C for 10 min. Samples were then snap frozen in dry ice, transported to the laboratory and stored at −80 °C.
2.2. Chemicals
Mouse Splash® Lipidomix standards (a mix of 14 deuterated standards), ceramide (Cer) Lipidomix standards, glucosylceramide (GluCer) and lactosylceramide (LacCer) standards were purchased from Avanti Lipids. The acylcarnitine (AcylCar), FFAs, and short-chain fatty acid (SCFA) and BHBA standards were from Sigma-Aldrich (St. Louis, MO, USA). Solvents used for serum lipid extraction and mobile phase preparation were of chromatographic or LC-MS grade. Methanol and isopropanol were from Fisher Scientific, chloroform from Sigma-Aldrich, acetonitrile and butanol from Merck, and acetonitrile containing 0.1% formic acid from Fisher Chemical. Ammonium formate (a mobile phase additive) was of analytical grade (Sigma-Aldrich).
2.3. Sample Preparation for LC-MS and GC Analysis
For the comparison of the FA profile (between the two lactation stages) and the construction of bovine serum lipid library, pooled serum samples (15 cows randomly selected from the 2022 cohort, i.e., around 10% of the population) were analysed. Serum lipids were extracted either by the Folch method [16] using chloroform/methanol (2:1, v/v) (for FA analysis by GC), or by the one-phase method using a solvent mix composed of butanol, methanol, and chloroform (at a 3:5:4 ratio) [17], after spiking the internal standards (IS), i.e., deuterated Mouse Splash Lipidomix standard mix (for lipid identification and quantification by LC-MS).
For the search of lipid biomarkers that differentiate fresh and full lactation stages, all individual serum samples (143 for the 2022 cohort and 218 for the 2023 cohort) were extracted by the one-phase method prior to LC-MS analysis.
2.4. Identification of Serum Lipids by RP-LC-MS/MS
The total lipids extracted from the pooled serum were separated by a Kinetex C18 column (100 × 2.1 mm, 1.7 µm, Phenomenex) on a Vanquish UHPLC system (Thermo Fisher Scientific, Waltham, MA, USA). The column compartment was maintained at 50 °C and the sample tray at 12 °C. The mobile phase is composed of water/acetonitrile (40:60, v/v) containing 10 mM ammonium formate (A) and acetonitrile/isopropanol (10:90, v/v) containing 10 mM ammonium formate (B). The gradient elution was performed by a linear increase in mobile phase B from 32 to 97% over 21 min with a flowrate of 0.25 mL/min.
A Q Exactive Plus mass spectrometer (Thermo Fisher Scientific) equipped with a heated electrospray ionization (HESI) source was used for the detection of all lipid classes. The heated capillary was maintained at 300 °C with a source heater temperature of 300 °C, and the sheath, auxiliary and sweep gases were at 30, 10 and 0 units, respectively. The instrument was operated in either positive (4.2 kV) or negative (3.6 kV) ion mode with a full scan (120–1600 m/z) at a resolution of 70,000 followed by 15 data-dependent MS2 scans at a resolution of 17,500 and collision energy of 25 eV. The precursor isolation width was set to 1.5 Da and a dynamic exclusion of 7 s was enabled. Lipid identification at the species level was achieved using the LipidSearch 4.1 software package (Thermo Fisher Scientific), based on the accurate-mass information of parent ions as well as MS2 spectra. The detailed parameters selected were reported previously [18].
2.5. Quantification of Serum Lipids
For the construction of serum lipid library, TAGs, CEs, and FFAs were quantified by RP-LC-MS using the same LC settings as described in the previous section. In the case of SCFA, a derivatization step was performed prior to the RP-LC-MS analysis [19]. For the quantification of all other lipid classes, HILIC-MS was employed. The LC separation was achieved on the same Vanquish UHPLC system with a HILIC column (150 × 4.6 mm, 2.6 µm, Phenomenex) maintained at 30 °C. The mobile phase comprised 10 mM ammonium formate (A) and acetonitrile containing 0.1% formic acid (B). The gradient elution was performed by a linear increase in mobile phase A from 2 to 40% over 16 min with a flowrate of 0.5 mL/min.
The same Q Exactive MS detector was employed for lipid quantification based on parent ion scan acquired simultaneously in positive and negative mode. The concentration of PC, PE, PI, SM, LPC, LPE, PCP, PEP, TAG, and CE species was calculated using the one-point calibration method—i.e., concentration of a lipid species = (peak area of the lipid species/peak area of the IS) × concentration of the IS—whereas that of all other lipids (GluCer, LacCer, Cer, AcylCar, FFAs, and SCFAs), was determined by the external calibration method. The content of each lipid class is estimated by the sum of all species within the same class.
For lipidomic biomarker identification for cows in negative or positive energy balance, 143 (from 2022 cohort) and 218 cows (from 2023 cohort) with 2 time point serum samples were included, whereas 6 (from 2022 cohort) and 7 cows (from 2023 cohort) with only one time point serum samples were excluded. The serum samples were analysed in randomized order using a higher-throughput HILIC-MS method with a total runtime of 16 min. The relative abundance (peak area) of all lipid species was used for a chemometrics analysis. The MS response fluctuation was monitored by injecting the Mouse Splash Lipidomix standard mix after every 20 samples.
2.6. Data Analysis
Statistical comparison between pooled samples of the fresh and full lactation stages was conducted by Student’s t-test. A chemometrics analysis of lipid data was carried out with MetaboAnalyst 6.0 (http://www.metaboanalyst.ca, accessed on 18 August 2024) [20], after pre-processing the raw data by autoscaling.
3. Results
3.1. FA Composition of Bovine Serum
Bovine serum lipids are featured by the presence of five major FAs (C16:0, C18:0, C18:1c9, C18:2c9,12, and C18:3n3), four intermediate FAs (C16:1, C20:3, C20:4, and C20:5), and a number of minor yet quantifiable FAs (C18:1t11, C18:2c9t11, C15:0, C15:0-anteiso, C17:0, and so on) (Figure 1). In addition, a quasi-absence of FAs shorter than C14 was observed in bovine serum.
A significant increase in the concentration of most FAs was observed from fresh lactation to full lactation. Conversely, the concentration of C18:1t11, C18:2c9t11 (a conjugated linoleic acid or CLA) and C22:6n3 (DHA) decreased from fresh lactation to full lactation (Table 1). The total serum lipid content, measured as the sum of all FAs, nearly doubled from fresh lactation to full lactation (Table 1).
The percentage of individual FAs also fluctuated between the two stages of lactation and the direction of change varied with FA species. For example, among the major FAs, a substantial reduction in the proportion of C16:0 and C18:1c9 and a concomitant increase in the proportion of C18:2c9,12 and C18:3n3 was observed at full lactation as compared to fresh lactation (Table 1). A remarkable increase in the proportion of FAs was also observed with lower abundance species such as C15:0, C15:0-iso, C15:0-anteiso, and C17:0 (Table 1).
3.2. Lipidomic Composition of Bovine Serum
Using tandem RP-LC-MS and LipidSearch software, we identified a total 350 lipid groups (a lipid group is defined as a series of lipid species or isomers sharing the same chemical formula and accurate mass but differing in FA composition) and 535 lipid molecular species in the serum of dairy cows. These lipids belong to 19 classes, but around half of the species were found in four classes PC, TAG, SM, and PE (Table 2), whereas only a small number (<10) of species were detected within PS, PA, PG, and FFA classes. As expected, TAGs contained more FA compositional isomers, but 2–3 isomers were also detected with many PC and SM groups (Table 2).
The quantification of the lipids was performed by a combination of RP-LC-MS, off-line derivatization followed by RP-LC-MS and HILIC-MS. The isomer species cannot be separated by RP-LC or HILIC, so they were quantified as a group. The most abundant lipid classes of serum were CE, PC, SM, PCP, and LPC, with concentrations reaching 5672, 1272, 261, 237, and 114 µg/mL, respectively, at the full lactation stage; the most abundant species were CE 18:2, CE 18:3, PC 36:2, and PC 34:2. The least abundant lipid classes at the same lactation stage were GluCer, LacCer, Cer, PS, and AcylCar, the concentrations of which were only 0.39, 1.23, 0.79, 0.39, and 0.24 µg/mL, respectively. With a total concentration of 70.2 and 51.7 µg/mL, respectively, TAGs and FFAs were present at an intermediate level in serum. The full list of molecular species identified in each class and their concentration at the two lactation stages are summarized in Table 2.
The results in Table 2 indicate that the lipid content of serum varied substantially with lactation stage. At the class level, a higher concentration (>20%) was observed at the full lactation stage for 16 out of the 19 classes. Only two classes, AcylCar and FFAs, displayed an opposing trend (higher concentration at the post-calving stage), whereas little difference was observed for PS. The greatest fold change was observed for PCP and FFAs, followed by PC, AcylCar, SM, and PEP (Table 2).
At the species (group) level, most lipids within the 16 classes exhibited a substantial rise in concentration from fresh lactation to full lactation, with the only exceptions being PI 40:6, PEP 40:6, PE 40:6, PC 40:7, PC 40:6, and LPC 22:6, which underwent a significant drop with the progression of lactation. By contrast, all species of FFAs and most AcylCar species (except Car 3:0/Car 5:0) showed a drastic decrease from fresh lactation to full lactation (Table 2).
3.3. Serum Lipid Biomarkers Differentiating the Two Lactation Stages
The results obtained with pooled samples from the 2022 cohort (shown in Table 2) provide a gross picture of the lipidomic change in relation to lactation stage. The pattern revealed was further verified by an analysis of all individuals from the 2022 and 2023 cohorts. A total of 198 polar lipid and FFA features captured by the higher-throughput HILIC-MS workflow were subjected to chemometric analysis. Figure 1A,C show the clear separation by PLS-DA of samples by lactation stages for both cohorts. The top 15 most differential lipid species (ranked by the importance of variables in the model) for each cohort are shown in Figure 1B,D; 9 out of the 15 lipids (PCP 34:1, PC-P 34:2, PCP 34:3, PCP 33:2, PC 33:0, PC 35:2, PC 35:3, PC 38:3, and SM 35:2) were common across the two cohorts. The contrasting differences in the top 5 lipids between the two lactation stages are illustrated in Figure S1 (Supplementary Materials).
This large cohort validation analysis also confirmed the widespread shift in serum lipid level during the transition period. For both 2022 and 2023 cohorts, over 92% of the lipid features detected showed a significant change between the two lactation stages (p < 0.05). Although the top 15 most differential lipids were all upregulated at the full lactation stage (or in positive energy balance), volcano plots that consider both p value (<0.0001) and fold change (>1.3) also allowed the identification of 16 and 11 upregulated lipids at the fresh lactation period (or in negative energy balance) for 2022 and 2023 cohorts, respectively (Figure 2A,B). While upregulated species at the full lactation are in large numbers and mostly from PCP and PC classes, upregulated lipids at the fresh lactation were mainly FFAs (FA 16:0, FA 18:0, FA 18:1, and FA 18:2) and Acylcar (Car 2:0, Car 16:0, Car 18:0, and Car 18:1) (Figure 2A,B).
4. Discussion
Compared to the abundant data on milk lipids, much less is known about the serum lipids of dairy cows and the remodelling of all lipid categories during negative energy balance. Our study aimed to fill this gap. The total FA content in serum was found to be about 10-fold lower than typically present in milk, and only five major FAs were detected in serum compared to a dozen major FAs in milk [21]. Another interesting feature of the serum FA profile is the much higher level (>60%) of unsaturated FAs compared to milk. This may be because serum lipids are mostly derived from plant-based feeds, which contain a high proportion of unsaturated FAs. On the other hand, judging by the relatively low levels of the intermediates of biohydrogenation C18:1t11 and C18:2c9t11, the process of bacterial biohydrogenation does not appear to drastically change the FA makeup in the rumen.
Most FAs showed a dramatic increase (up to 3-fold) from fresh lactation to full lactation. This likely results from increased dry matter intake and enhanced microbial activities in the rumen as dairy cows transition from negative to positive energy balance, because both plant-derived unsaturated FAs (such as C18:1, C18:2, and C18:3) and rumen bacteria-generated branched/odd-chain FAs (C15:0, C15:0-iso and C17:0) were augmented [22]. By contrast, C22:6n3 (DHA), C18:1t11, and CLAc9t11 declined from fresh lactation to full lactation. DHA can be obtained from the feed or synthesized from alpha-linolenic acid (ALA; 18:3n-3) in the liver [23]. Thus, a higher level of DHA in the serum at fresh lactation suggests that its biosynthesis may be upregulated during the transition period, given that a non-DHA-rich diet supplement was provided to cows after calving. As for C18:1t11 and CLAc9t11, both are intermediates of biohydrogenation in the rumen. The reason for the reduced biohydrogenation activity at full lactation remains to be determined.
The relative proportion (or %) of the FA also varied with lactation stage. The most striking observation is the significant decline of the proportion of C16:0 and C18:1 and the concomitant increase in the proportion of C18:2 and C18:3 at the full lactation stage compared to fresh lactation stage. This shift in FA proportion can be attributed to the reduced mobilization of adipose tissue [24], and increased intake of plant-based lipids as dairy cows recover from negative energy balance.
The number of TAG species detected in bovine serum is far smaller than previously reported for bovine milk [25]. This is because the number of TAG species is solely determined by the FA diversity in a biological system. While both preformed FA (odd-chain and long-chain FA derived from the blood) and de novo synthesized FA (C4:0 to C16:0) are used for lipid synthesis in the mammary gland [26], only plant-based FA and rumen bacteria-generated FA are available for serum lipid synthesis. It is worth mentioning that the number of lipids identified is not exhaustive, and more low-abundance species will be detected by sample enrichment or employing more sensitive LC-MS settings (e.g., nano-LC-MS).
A close examination of the lipid structure vs. concentration revealed that regardless of lipid class, the most abundant species are those containing one or more of the five major FAs (C18:2, C18:1, C18:3, C16:0, and C18:0). We should point out that the number of FAs found in the lipid structures (Table 2) is far greater than that revealed by GC in FA profiling (Table 1). This is firstly because LC-MS is more sensitive than GC-FID, and secondly, the presence of a particular FA can be deduced from tandem LC-MS spectrum, whereas the identity of FAs cannot be confirmed without standards in GC-FID analysis.
In this study, the results obtained with pooled serum samples provide a detailed account of lipid remodelling under negative energy balance. A widespread and dramatic suppression of nearly all lipid classes in the serum of post-calving cows is an important finding. The lower level of most lipid classes at the fresh lactation stage is consistent with the global FA profiling data (Table 1), implying that a shortage in FA supply may be responsible for the decline in circulating lipids, synthesized in the liver and/or in the intestine enterocytes. The higher level of FFAs in the serum during negative energy balance observed in this study is consistent with the literature. This is believed to be caused by adipose tissue mobilization, and some FFA species have been found to have high predictive power for the diagnosis of ketosis in early lactating cows [27,28]. However, in this study, a higher level of FFAs was accompanied by only a slightly greater concentration of BHBA in the serum of cows at the early lactating stage. Thus, the quantitative relationship between FFAs and BHBA remains unclear.
During negative energy balance we observed also an increase in AcylCar and DHA-containing species. Unlike FFAs, the exact mode of function of AcylCar in lipid metabolism during negative energy balance is not well understood. The main function of AcylCar is the transport of FAs to mitochondria for oxidation [29]. Therefore, the increase in AcylCar in the serum of cows in the transition period may result from reduced lipid oxidation activity in the mitochondria in the liver cells [30]. Our findings are in accordance with observations of Ghaffari et al. [31], who found a greater concentration of circulating acetylcarnitine in the serum of cows during fresh lactation. Moreover, increased plasma concentrations of AcylCar have been suggested as a marker of metabolism disorders [32]. Although the role of DHA in transition cow’s health remains unclear. It is plausible that the enhanced production of DHA has a positive effect on the immune function and health status of dairy cows during this critical period [33]. It is also possible that more DHAs are synthesized in the liver and circulated in the blood in the fresh lactation stage to promote brain development of neonates [34].
The results obtained with pooled serum samples (Table 1 and Table 2) cannot unveil the variation across animals nor allow the discovery of robust lipid biomarkers between the two lactation stages. Lipidomic profiling was thus performed on large cohorts of 2022 and 2023, and a multivariate classification analysis (PLS-DA) of the large dataset revealed the contrasting lipid makeup between the two lactation stages. Overall, the lipidomic response to negative energy balance was similar between the 2022 and the 2023 cohorts. The slight year-to-year discrepancy in the top 15 lipids differentiating the two lactation stages may result from environmentaland dietary variation across the two years. Taken together, a number of PCP, PC, and SM species were the top downregulated markers, whereas several FFAs, Acylcar, and DHA-containing phospholipid species the best upregulated markers of negative energy balance in dairy cows. It is worth noting that several PCP species were among the top and reproducible markers. Plasmalogens are thought to be involved in the membrane bilayer formation and possess an antioxidant function [35]. The rise in PCP levels at the full lactation stage may be an indicator of recovery from a negative energy balance.
5. Conclusions
We have revealed the overwhelming change in both polar and nonpolar lipids of serum during transition period and identified several upregulated and downregulated biomarkers that distinguish the fresh lactating and full lactating cows. To our knowledge, this is the most comprehensive survey on serum lipids and lipidomic remodelling of dairy cows suffering from negative energy balance. Our findings contribute to a better understanding of the lipid metabolism in dairy cows during the transition period. In addition, both the lipid structure and concentration presented in this paper may serve as a useful reference for researchers of dairy and veterinary science.
Supplementary Materials
The following supporting information can be downloaded at: https://www.mdpi.com/article/10.3390/metabo15040274/s1, Figure S1: Comparison of the top 5 lipids between the two lactation stages. A: 2022 cohort (n = 143); B: 2023 cohort (n = 218). Error bars are standard deviation.
Author Contributions
Conceptualization, L.C.M., A.J.C. and M.E.G.; Formal analysis, Z.L. and S.J.R.; Investigation, W.W., V.E. and Z.L.; Project administration, A.J.C.; Resources, C.M.R., J.E.H., C.R.B., M.J.B., M.S.T. and S.J.R.; Funding acquisition, L.C.M., A.J.C. and M.E.G.; Supervision, S.J.R., A.J.C. and M.E.G.; Writing—original draft, Z.L. and W.W.; Writing—review and editing, C.M.R., C.R.B., M.J.B., M.S.T., L.C.M., A.J.C. and M.E.G. All authors have read and agreed to the published version of the manuscript.
Funding
This work was funded by DairyBio, a joint venture project between Agriculture Victoria, Dairy Australia, and The Gardiner Foundation.
Institutional Review Board Statement
This study was approved by the Department of Energy, Environment and Climate Action (DEECA) Agricultural Research and Extension Animal Ethics Committee (approval code: AEC 2022-04; approval date: 11 May 2022).
Informed Consent Statement
Not applicable.
Data Availability Statement
Data available on request.
Acknowledgments
We wish to thank farm staff, and the sample collection teams from Agribio and Ellinbank for providing serum and milk samples used in this study.
Conflicts of Interest
The authors declare no conflicts of interest.
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Figure 1.
PLS-DA plot of serum samples collected at fresh lactation (Fresh) and full lactation (Full) stages in 2022 (n = 143) (A) and 2023 (n = 218) (C), and the VIP scores of the top 15 features differentiating the two lactation stages for 2022 (B) and 2023 (D) cohorts.
Figure 1.
PLS-DA plot of serum samples collected at fresh lactation (Fresh) and full lactation (Full) stages in 2022 (n = 143) (A) and 2023 (n = 218) (C), and the VIP scores of the top 15 features differentiating the two lactation stages for 2022 (B) and 2023 (D) cohorts.
Figure 2.
Volcano plot of upregulated and downregulated (full lactation vs. fresh lactation) lipid species in serum of 2022 cohort (A) and 2023 cohort (B) (p < 0.0001 and fold change > 1.3).
Figure 2.
Volcano plot of upregulated and downregulated (full lactation vs. fresh lactation) lipid species in serum of 2022 cohort (A) and 2023 cohort (B) (p < 0.0001 and fold change > 1.3).
Table 1.
Fatty acid composition of bovine serum at fresh and full lactation stages.
| FA | Concentration (µg/mL) | % | ||
|---|---|---|---|---|
| Fresh Lactation | Full Lactation | Fresh Lactation | Full Lactation | |
| C14:0 | 9.06 b | 16.68 a | 0.49 | 0.49 |
| C15:0-iso | 5.26 b | 16.12 a | 0.29 | 0.48 |
| C15:0-anteiso | 8.46 b | 28.12 a | 0.46 | 0.83 |
| C15:0 | 10.74 b | 25.62 a | 0.59 | 0.76 |
| C16:0 | 236.32 b | 336.82 a | 12.90 | 9.98 |
| C16:1 | 91.50 b | 171.38 a | 5.00 | 5.08 |
| C17:0-iso | 8.84 b | 15.02 a | 0.48 | 0.44 |
| C17:0 | 13.62 b | 31.3 a | 0.74 | 0.93 |
| C18:0 | 297.84 b | 494.06 a | 16.26 | 14.64 |
| C18:1t11 | 38.80 a | 26.94 b | 2.12 | 0.80 |
| C18:1c9 | 271.74 b | 336.8 a | 14.83 | 9.98 |
| C18:1c11 | 17.66 b | 21.62 a | 0.96 | 0.64 |
| C18:2c9,12 | 540.20 b | 1265.12 a | 29.49 | 37.48 |
| C18:2c9t11 | 9.26 a | 5.48 b | 0.51 | 0.16 |
| C18:3n6 | 6.28 b | 29.02 a | 0.34 | 0.86 |
| C18:3n3 | 172.52 b | 378.2 a | 9.42 | 11.20 |
| C20:3n6 | 19.54 b | 65.52 a | 1.07 | 1.94 |
| C20:4n6 | 38.52 b | 60.84 a | 2.10 | 1.80 |
| C20:5n3 | 27.82 b | 47.48 a | 1.52 | 1.41 |
| C22:6n3 | 7.80 a | 3.18 b | 0.43 | 0.09 |
| Sum | 1831.78 b | 3375.32 a | 100.00 | 100.00 |
Note: Values are means of 3 measurements of pooled samples from 15 cows. Within each row, fatty acid concentrations followed by different letters are significantly different between the two lactation stages (p < 0.05).
Table 2.
List of lipid species identified in the serum of dairy cows and their concentrations (µg/mL) at two lactation stages.
Table 2.
List of lipid species identified in the serum of dairy cows and their concentrations (µg/mL) at two lactation stages.
| Lipid Species | Formula | m/z | Isomer 1 | Isomer 2 | Isomer 3 | Isomer 4 | Fresh Lactation | Full Lactation |
|---|---|---|---|---|---|---|---|---|
| TAG | [M+NH4]+ | |||||||
| TAG26:0 | C29H54O6 | 516.4264 | (8:0_8:0_10:0) | 0.2064 ± 0.0315 | 0.2965 ± 0.0160 | |||
| TAG34:0 | C37H70O6 | 628.5516 | (16:0_8:0_10:0) | (4:0_14:0_16:0) | 0.0431 ± 0.0013 | 0.0695 ± 0.0012 | ||
| TAG38:0 | C41H78O6 | 684.6142 | (4:0_16:0_18:0) | (6:0_14:0_18:0) | (12:0_12:0_14:0) | (6:0_16:0_16:0) | 0.0305 ± 0.0009 | 0.0355 ± 0.0044 |
| TAG42:1 | C45H84O6 | 738.6612 | (16:0_8:0_18:1) | (16:1_12:0_14:0) | (18:1_12:0_12:0) | 0.0213 ± 0.0007 | 0.0321 ± 0.0050 | |
| TAG43:1 | C46H86O6 | 752.6768 | (15:0_14:0_14:1) | (16:1_13:0_14:0) | (15:0_12:0_16:1) | 0.0337 ± 0.0032 | 0.0518 ± 0.0048 | |
| TAG44:1 | C47H88O6 | 766.6925 | (16:0_12:0_16:1) | (16:0_14:0_14:1) | (16:1_14:0_14:0) | 0.1118 ± 0.0051 | 0.1915 ± 0.0329 | |
| TAG45:2 | C48H88O6 | 778.6925 | (15:1_14:0_16:1) | (15:0_14:1_16:1) | 0.0509 ± 0.0016 | 0.0804 ± 0.0168 | ||
| TAG45:1 | C48H90O6 | 780.7081 | (15:0_14:0_16:1) | 0.1758 ± 0.0054 | 0.3040 ± 0.0481 | |||
| TAG45:0 | C48H92O6 | 782.7238 | (15:0_14:0_16:0) | 0.2575 ± 0.0123 | 0.4781 ± 0.0515 | |||
| TAG46:2 | C49H90O6 | 792.7081 | (16:0_14:1_16:1) | (16:1_14:0_16:1) | 0.1645 ± 0.0018 | 0.2671 ± 0.0463 | ||
| TAG46:1 | C49H92O6 | 794.7238 | (16:0_14:0_16:1) | 0.4374 ± 0.0276 | 0.6411 ± 0.0712 | |||
| TAG46:0 | C49H94O6 | 796.7394 | (16:0_14:0_16:0) | (15:0_15:0_16:0) | 0.4742 ± 0.0071 | 0.7479 ± 0.0700 | ||
| TAG47:2 | C50H92O6 | 806.7238 | (15:1_16:0_16:1) | 0.1390 ± 0.0094 | 0.2965 ± 0.0561 | |||
| TAG47:1 | C50H94O6 | 808.7394 | (15:0_16:0_16:1) | (15:1_16:0_16:0) | 0.4598 ± 0.0281 | 0.8254 ± 0.1136 | ||
| TAG47:0 | C50H96O6 | 810.7551 | (15:0_16:0_16:0) | 0.5620 ± 0.0187 | 1.1085 ± 0.0521 | |||
| TAG48:2 | C51H94O6 | 820.7394 | (16:1_14:0_18:1) | (16:0_16:1_16:1) | (17:0_16:1_15:1) | 0.5784 ± 0.0187 | 0.7987 ± 0.0791 | |
| TAG48:1 | C51H96O6 | 822.7551 | (16:0_14:0_18:1) | (16:0_16:0_16:1) | (15:0_15:0_18:1) | 0.9912 ± 0.0349 | 1.3890 ± 0.0894 | |
| TAG48:0 | C51H98O6 | 824.7707 | (18:0_16:0_14:0) | (16:0_16:0_16:0) | (15:0_16:0_17:0) | 1.0444 ± 0.0338 | 1.8805 ± 0.0534 | |
| TAG49:2 | C52H96O6 | 834.7551 | (16:0_16:1_17:1) | (15:0_16:1_18:1) | 0.5600 ± 0.0128 | 0.8307 ± 0.0580 | ||
| TAG49:1 | C52H98O6 | 836.7707 | (15:0_16:0_18:1) | (15:1_16:0_18:0) | (16:0_16:0_17:1) | 0.9626 ± 0.0106 | 1.7950 ± 0.0561 | |
| TAG49:0 | C52H100O6 | 838.7864 | (18:0_15:0_16:0) | 1.0198 ± 0.0232 | 2.2705 ± 0.0046 | |||
| TAG50:3 | C53H96O6 | 846.7551 | (16:1_16:1_18:1) | (16:0_16:1_18:2) | 0.6908 ± 0.0128 | 0.7933 ± 0.0240 | ||
| TAG50:2 | C53H98O6 | 848.7707 | (16:0_16:1_18:1) | 1.6146 ± 0.0359 | 1.6401 ± 0.0534 | |||
| TAG50:1 | C53H100O6 | 850.7864 | (16:0_16:0_18:1) | (15:0_17:0_18:1) | (18:0_16:0_16:1) | 2.7591 ± 0.0545 | 3.3550 ± 0.0740 | |
| TAG51:3 | C54H98O6 | 860.7707 | (15:0_18:1_18:2) | (16:0_17:1_18:2) | 0.3803 ± 0.0108 | 0.5823 ± 0.0258 | ||
| TAG51:2 | C54H100O6 | 862.7864 | (15:0_18:1_18:1) | (15:1_18:0_18:1) | (16:0_17:1_18:1) | 1.0382 ± 0.0094 | 1.5439 ± 0.0167 | |
| TAG51:1 | C54H102O6 | 864.8020 | (16:0_16:1_19:0) | (15:1_16:0_20:0) | (18:0_15:0_18:1) | (18:0_16:0_17:1) | 1.8230 ± 0.0375 | 3.2108 ± 0.0534 |
| TAG52:4 | C55H98O6 | 872.7707 | (16:1_18:1_18:2) | (16:0_18:1_18:3) | 0.8114 ± 0.0071 | 0.8361 ± 0.0245 | ||
| TAG52:3 | C55H100O6 | 874.7864 | (16:1_18:1_18:1) | (18:0_16:0_18:3) | (16:0_18:1_18:2) | 2.1275 ± 0.0106 | 2.1129 ± 0.0245 | |
| TAG52:2 | C55H102O6 | 876.8020 | (16:0_18:1_18:1) | 4.6802 ± 0.0716 | 4.5410 ± 0.0682 | |||
| TAG52:1 | C55H104O6 | 878.8177 | (18:0_16:0_18:1) | (18:0_16:1_18:0) | (20:0_16:0_16:1) | 5.9208 ± 0.0962 | 7.9334 ± 0.1244 | |
| TAG52:0 | C55H106O6 | 880.8333 | (20:0_16:0_16:0) | (18:0_16:0_18:0) | 5.0501 ± 0.3361 | 7.4179 ± 0.0303 | ||
| TAG53:2 | C56H104O6 | 890.8177 | (18:0_17:1_18:1) | (19:1_16:1_18:0) | (17:0_18:1_18:1) | 0.9258 ± 0.0061 | 1.1486 ± 0.0167 | |
| TAG53:1 | C56H106O6 | 892.8333 | (18:0_15:0_20:1) | (18:0_17:0_18:1) | (20:0_15:0_18:1) | (18:0_17:1_18:0) | 1.5635 ± 0.0591 | 1.9339 ± 0.0303 |
| TAG54:4 | C57H102O6 | 900.8020 | (18:1_18:1_18:2) | (18:0_18:1_18:3) | 1.5737 ± 0.0128 | 1.6214 ± 0.0122 | ||
| TAG54:3 | C57H104O6 | 902.8177 | (18:0_18:1_18:2) | (18:1_18:1_18:1) | 3.3415 ± 0.0479 | 3.1760 ± 0.0303 | ||
| TAG54:2 | C57H106O6 | 904.8333 | (18:0_16:1_20:1) | (18:0_18:0_18:2) | (18:0_18:1_18:1) | 4.6638 ± 0.1382 | 4.8963 ± 0.1319 | |
| TAG54:1 | C57H108O6 | 906.8490 | (17:0_18:1_19:0) | (18:0_18:0_18:1) | (20:0_16:0_18:1) | 6.2764 ± 0.1178 | 6.5658 ± 0.1091 | |
| TAG55:2 | C58H108O6 | 918.8490 | (17:0_18:1_20:1) | (19:1_18:0_18:1) | (20:0_17:1_18:1) | 0.3705 ± 0.0074 | 0.3953 ± 0.0046 | |
| TAG55:1 | C58H110O6 | 920.8646 | (19:1_18:0_18:0) | (18:0_17:1_20:0) | (18:0_16:0_21:1) | 0.5794 ± 0.0195 | 0.8655 ± 0.0910 | |
| TAG56:3 | C59H108O6 | 930.849 | (18:0_18:2_20:1) | (18:0_18:0_20:3) | (20:0_18:1_18:2) | 0.6088 ± 0.0069 | 0.4888 ± 0.0000 | |
| TAG56:2 | C59H110O6 | 932.8646 | (18:0_18:1_20:1) | (18:0_18:2_20:0) | (20:0_18:1_18:1) | 1.1445 ± 0.0154 | 0.7666 ± 0.0122 | |
| Sum TAG | 56.2682 ± 0.1737 b | 70.2155 ± 0.9153 a | ||||||
| PI | [M-H]− | |||||||
| PI31:0 | C40H77O13P | 795.5024 | (16:0_15:0) | 0.0071 ± 0.0004 | 0.0238 ± 0.0016 | |||
| PI32:1 | C41H77O13P | 807.5024 | (18:1_14:0) | (16:0_16:1) | 0.0386 ± 0.0006 | 0.0464 ± 0.0011 | ||
| PI32:0 | C41H79O13P | 809.5180 | (16:0_16:0) | 0.0402 ± 0.0013 | 0.1105 ± 0.0021 | |||
| PI33:1 | C42H79O13P | 821.5180 | (15:0_18:1) | (17:1_16:0) | 0.0542 ± 0.0008 | 0.1198 ± 0.0029 | ||
| PI33:0 | C42H81O13P | 823.5337 | (18:0_15:0) | (16:0_17:0) | 0.0533 ± 0.0015 | 0.2338 ± 0.0097 | ||
| PI34:3 | C43H77O13P | 831.5024 | (16:0_18:3) | 0.0555 ± 0.0012 | 0.0647 ± 0.0036 | |||
| PI34:2 | C43H79O13P | 833.5180 | (16:0_18:2) | 0.3456 ± 0.0048 | 0.4018 ± 0.0131 | |||
| PI34:1 | C43H81O13P | 835.5337 | (16:0_18:1) | 0.8015 ± 0.0146 | 1.0978 ± 0.0188 | |||
| PI34:0 | C43H83O13P | 837.5493 | (18:0_16:0) | 0.0428 ± 0.0080 | 0.2710 ± 0.0118 | |||
| PI35:3 | C44H79O13P | 845.5180 | (17:0_18:2) | 0.0277 ± 0.0006 | 0.0534 ± 0.0009 | |||
| PI35:2 | C44H81O13P | 847.5337 | (17:1_18:1) | (17:0_18:2) | 0.1559 ± 0.0021 | 0.2925 ± 0.0088 | ||
| PI35:1 | C44H83O13P | 849.5493 | (17:0_18:1) | (17:1_18:0) | (19:1_16:0) | 0.3010 ± 0.0027 | 0.6111 ± 0.0175 | |
| PI36:5 | C45H77O13P | 855.5024 | (16:0_20:5) | (18:3_18:2) | 0.0369 ± 0.0026 | 0.0356 ± 0.0003 | ||
| PI36:4 | C45H79O13P | 857.5180 | (16:0_20:4) | (18:3_18:1) | 0.2985 ± 0.0043 | 0.3093 ± 0.0016 | ||
| PI36:3 | C45H81O13P | 859.5337 | (18:0_18:3) | 1.2988 ± 0.0141 | 1.6947 ± 0.0436 | |||
| PI36:2 | C45H83O13P | 861.5493 | (18:1_18:1) | (18:0_18:2) | 3.9503 ± 0.0373 | 5.3445 ± 0.1207 | ||
| PI36:1 | C45H85O13P | 863.5650 | (18:0_18:1) | 3.9427 ± 0.0164 | 6.1799 ± 0.1146 | |||
| PI37:4 | C46H81O13P | 871.5337 | (17:0_20:4) | (18:4_19:0) | (18:0_19:4) | 0.1533 ± 0.0059 | 0.2461 ± 0.0074 | |
| PI37:3 | C46H83O13P | 873.5493 | (19:1_18:2) | (17:0_20:3) | 0.1295 ± 0.0051 | 0.3232 ± 0.0072 | ||
| PI37:2 | C46H85O13P | 875.5650 | (18:0_19:2) | 0.1367 ± 0.0047 | 0.2113 ± 0.0082 | |||
| PI38:6 | C47H79O13P | 881.5180 | (18:2_20:4) | (18:1_20:5) | 0.1316 ± 0.0035 | 0.0825 ± 0.0018 | ||
| PI38:5 | C47H81O13P | 883.5337 | (18:0_20:5) | (18:1_20:4) | 2.0842 ± 0.0543 | 2.0779 ± 0.0255 | ||
| PI38:4 | C47H83O13P | 885.5493 | (18:0_20:4) | (18:1_20:3) | 6.1972 ± 0.1100 | 7.9707 ± 0.1304 | ||
| PI38:3 | C47H85O13P | 887.5650 | (18:0_20:3) | (18:1_20:2) | 2.2851 ± 0.0220 | 6.7939 ± 0.1350 | ||
| PI38:2 | C47H87O13P | 889.5806 | (20:1_18:1) | (18:0_20:2) | 0.1915 ± 0.0300 | 0.1895 ± 0.0341 | ||
| PI38:1 | C47H89O13P | 891.5963 | (18:0_20:1) | 0.0477 ± 0.0028 | 0.0967 ± 0.0122 | |||
| PI40:6 | C49H83O13P | 909.5493 | (18:1_22:5) | (18:0_22:6) | 0.2969 ± 0.0080 | 0.1908 ± 0.0043 | ||
| PI40:5 | C49H85O13P | 911.5650 | (18:0_22:5) | 1.2850 ± 0.0145 | 1.8165 ± 0.0320 | |||
| Sum PI | 24.3982 ± 0.2140 b | 36.9094 ± 0.6746 a | ||||||
| PEP | [M+H]+ | |||||||
| PEP32:2 | C37H70O7NP | 672.4968 | (14:0p_18:2) | 0.3346 ± 0.0139 | 0.8911 ± 0.0015 | |||
| PEP32:1 | C37H72O7NP | 674.5124 | (14:0p_18:1) | (16:0p_16:1) | 0.1649 ± 0.0081 | 0.2143 ± 0.0001 | ||
| PEP33:2 | C38H72O7NP | 686.5124 | (16:1p_17:1) | 0.8875 ± 0.0331 | 2.8026 ± 0.0175 | |||
| PEP33:1 | C38H74O7NP | 688.5281 | (14:0p_19:1) | 0.3250 ± 0.0119 | 0.5116 ± 0.0077 | |||
| PEP34:3 | C39H72O7NP | 698.5124 | (16:0p_18:3) | (16:1p_18:2) | (14:0p_20:3) | 0.7283 ± 0.0233 | 1.7172 ± 0.0176 | |
| PEP34:2 | C39H74O7NP | 700.5281 | (16:0p_18:2) | 1.1702 ± 0.0350 | 2.6059 ± 0.0337 | |||
| PEP34:1 | C39H76O7NP | 702.5437 | (20:0e_14:1) | (16:0p_18:1) | 0.2892 ± 0.0095 | 0.3929 ± 0.0068 | ||
| PEP35:2 | C40H76O7NP | 714.5437 | (20:0p_15:2) | 0.2728 ± 0.0048 | 0.6118 ± 0.0077 | |||
| PEP36:5 | C41H72O7NP | 722.5124 | (16:1p_20:4) | (16:0p_20:5) | 0.2612 ± 0.0105 | 0.4530 ± 0.0093 | ||
| PEP36:4 | C41H74O7NP | 724.5281 | (16:0p_20:4) | 0.3795 ± 0.0142 | 0.7764 ± 0.0036 | |||
| PEP36:3 | C41H76O7NP | 726.5437 | (18:0p_18:3) | (18:1p_18:2) | (16:0p_20:3) | 0.4065 ± 0.0102 | 0.9758 ± 0.0144 | |
| PEP36:2 | C41H78O7NP | 728.5594 | (18:0p_18:2) | (18:1p_18:1) | 0.3095 ± 0.0088 | 0.4852 ± 0.0112 | ||
| PEP36:1 | C41H80O7NP | 730.5750 | (18:0p_18:1) | 0.1386 ± 0.0034 | 0.1809 ± 0.0048 | |||
| PEP38:5 | C43H76O7NP | 750.5437 | (18:0p_20:5) | 0.4181 ± 0.0134 | 0.4003 ± 0.0049 | |||
| PEP38:4 | C43H78O7NP | 752.5594 | (18:0p_20:4) | 0.1720 ± 0.0052 | 0.2688 ± 0.0030 | |||
| PEP38:1 | C43H84O7NP | 758.6063 | (20:0p_18:1) | 0.0014 ± 0.0011 | 0.0013 ± 0.0007 | |||
| PEP40:6 | C45H78O7NP | 776.5594 | (18:0p_22:6) | 0.0777 ± 0.0045 | 0.0512 ± 0.0012 | |||
| PEP40:5 | C45H80O7NP | 778.5750 | (18:0p_22:5) | 0.1258 ± 0.0061 | 0.1077 ± 0.0018 | |||
| Sum PEP | 6.4627 ± 0.2098 b | 13.4478 ± 0.1300 a | ||||||
| PE | [M+H]+ | |||||||
| PE32:1 | C37H72O8NP | 690.5074 | (18:1_14:0) | (16:0_16:1) | 0.0063 ± 0.0005 | 0.0070 ± 0.0010 | ||
| PE33:2 | C38H72O8NP | 702.5074 | (15:0_18:2) | 0.0255 ± 0.0016 | 0.0679 ± 0.0018 | |||
| PE33:1 | C38H74O8NP | 704.5230 | (15:0_18:1) | 0.0109 ± 0.0008 | 0.0211 ± 0.0003 | |||
| PE34:3 | C39H72O8NP | 714.5074 | (16:1_18:2) | 0.1019 ± 0.0018 | 0.2325 ± 0.0022 | |||
| PE34:2 | C39H74O8NP | 716.5230 | (16:0_18:2) | 0.4254 ± 0.0080 | 0.8300 ± 0.0010 | |||
| PE34:1 | C39H76O8NP | 718.5387 | (16:0_18:1) | 0.1355 ± 0.0010 | 0.1107 ± 0.0038 | |||
| PE35:3 | C40H74O8NP | 728.5230 | (17:1_18:2) | 0.0236 ± 0.0008 | 0.0576 ± 0.0013 | |||
| PE35:2 | C40H76O8NP | 730.5387 | (17:0_18:2) | 0.0773 ± 0.0018 | 0.1439 ± 0.0048 | |||
| PE35:1 | C40H78O8NP | 732.5543 | (17:0_18:1) | 0.0359 ± 0.0014 | 0.0509 ± 0.0017 | |||
| PE36:6 | C41H70O8NP | 736.4917 | (18:3_18:3) | 0.0075 ± 0.0025 | 0.0105 ± 0.0027 | |||
| PE36:5 | C41H72O8NP | 738.5074 | (18:3_18:2) | 0.1666 ± 0.0068 | 0.3224 ± 0.0077 | |||
| PE36:4 | C41H74O8NP | 740.5230 | (18:4_18:0) | 0.3182 ± 0.0054 | 0.5095 ± 0.0097 | |||
| PE36:3 | C41H76O8NP | 742.5387 | (18:1_18:2) | 0.7075 ± 0.0043 | 1.0654 ± 0.0147 | |||
| PE36:2 | C41H78O8NP | 744.5543 | (18:0_18:2) | 1.3071 ± 0.0211 | 2.1185 ± 0.0245 | |||
| PE36:1 | C41H80O8NP | 746.5700 | (17:1_19:0) | (18:0_18:1) | 0.2672 ± 0.0048 | 0.3017 ± 0.0027 | ||
| PE37:4 | C42H76O8NP | 754.5387 | (19:1_18:3) | 0.0209 ± 0.0006 | 0.0423 ± 0.0044 | |||
| PE37:2 | C42H80O8NP | 758.5700 | (19:0_18:2) | 0.0139 ± 0.0030 | 0.0286 ± 0.0004 | |||
| PE37:1 | C42H82O8NP | 760.5856 | (19:0_18:1) | 0.0062 ± 0.0005 | 0.0116 ± 0.0001 | |||
| PE37:0 | C42H84O8NP | 762.6013 | (16:0_21:0) | 0.0036 ± 0.0006 | 0.006 ± 0.0006 | |||
| PE38:7 | C43H72O8NP | 762.5074 | (18:2_20:5 | (18:3_20:4) | 0.0211 ± 0.0013 | 0.0292 ± 0.0010 | ||
| PE38:6 | C43H74O8NP | 764.5230 | (16:1_22:5) | (16:0_22:6) | (18:1_20:5) | 0.1360 ± 0.0105 | 0.1182 ± 0.0058 | |
| PE38:5 | C43H76O8NP | 766.5387 | (16:0_22:5) | (18:2_20:3) | 0.4967 ± 0.0168 | 0.6771 ± 0.0062 | ||
| PE38:4 | C43H78O8NP | 768.5543 | (18:1_20:3) | 0.4559 ± 0.0167 | 0.6417 ± 0.0035 | |||
| PE38:3 | C43H80O8NP | 770.5700 | (20:0_18:3) | 0.0672 ± 0.0031 | 0.1725 ± 0.0047 | |||
| PE38:2 | C43H82O8NP | 772.5856 | (20:0_18:2) | 0.0739 ± 0.0032 | 0.1086 ± 0.0067 | |||
| PE38:1 | C43H84O8NP | 774.6013 | (17:1_21:0) | (20:0_18:1) | 0.1706 ± 0.0058 | 0.1514 ± 0.0025 | ||
| PE39:6 | C44H76O8NP | 778.5387 | (18:3_21:3) | (16:1_23:5) | 0.0225 ± 0.0027 | 0.0181 ± 0.0023 | ||
| PE39:5 | C44H78O8NP | 780.5543 | (18:3_21:2) | 0.0152 ± 0.0012 | 0.0267 ± 0.0004 | |||
| PE39:4 | C44H80O8NP | 782.5700 | (19:0_20:4) | (16:0_23:4) | (18:3_21:1) | 0.0029 ± 0.0010 | 0.0091 ± 0.0004 | |
| PE39:3 | C44H82O8NP | 784.5856 | (18:3_21:0) | (18:2_21:1) | 0.0006 ± 0.0001 | 0.0039 ± 0.0007 | ||
| PE40:6 | C45H78O8NP | 792.5543 | (18:1_22:5) | 0.0733 ± 0.0026 | 0.0430 ± 0.0032 | |||
| PE40:5 | C45H80O8NP | 794.5700 | (18:0_22:5) | 0.1507 ± 0.0029 | 0.1851 ± 0.0028 | |||
| PE40:2 | C45H86O8NP | 800.6169 | (18:2_22:0) | 0.0033 ± 0.0004 | 0.0076 ± 0.0006 | |||
| PE40:1 | C45H88O8NP | 802.6326 | (19:1_21:0) | 0.0039 ± 0.0003 | 0.0121 ± 0.0009 | |||
| Sum PE | 5.3548 ± 0.1153 b | 8.1423 ± 0.0925 a | ||||||
| LPE | [M+H]+ | |||||||
| LPE14:0 | C19H40O7NP | 426.2621 | (14:0) | 0.0012 ± 0.0001 | 0.0039 ± 0.0004 | |||
| LPE15:0 | C20H42O7NP | 440.2777 | (15:0) | 0.0208 ± 0.0007 | 0.0425 ± 0.0006 | |||
| LPE16:1 | C21H42O7NP | 452.2777 | (16:1) | 0.0150 ± 0.0004 | 0.0122 ± 0.0106 | |||
| LPE16:0 | C21H44O7NP | 454.2934 | (16:0) | 0.0976 ± 0.0018 | 0.1205 ± 0.0024 | |||
| LPE17:0 | C22H46O7NP | 468.3090 | (17:0) | 0.0150 ± 0.0010 | 0.0198 ± 0.0006 | |||
| LPE18:3 | C23H42O7NP | 476.2777 | (18:3) | 0.1409 ± 0.0008 | 0.2367 ± 0.0017 | |||
| LPE18:2 | C23H44O7NP | 478.2933 | (18:2) | 0.6413 ± 0.0020 | 0.9915 ± 0.0193 | |||
| LPE18:1 | C23H46O7NP | 480.3090 | (18:1) | 0.3105 ± 0.0023 | 0.2955 ± 0.0075 | |||
| LPE18:0 | C23H48O7NP | 482.3247 | (18:0) | 0.2268 ± 0.0019 | 0.2488 ± 0.0055 | |||
| LPE20:5 | C25H42O7NP | 500.2777 | (20:5) | 0.0743 ± 0.0085 | 0.1353 ± 0.0079 | |||
| Sum LPE | 1.5436 ± 0.0101 b | 2.1067 ± 0.0548 a | ||||||
| PCP | [M+H]+ | |||||||
| PCP30:0 | C38H76O7NP | 690.5438 | (16:0p_14:0) | 1.0459 ± 0.0208 | 4.6225 ± 0.1847 | |||
| PCP32:3 | C40H74O7NP | 712.5281 | (14:0p_18:3) | 0.5097 ± 0.0369 | 2.3374 ± 0.0812 | |||
| PCP32:2 | C40H76O7NP | 714.5438 | (14:0p_18:2) | 2.9845 ± 0.0529 | 13.5516 ± 0.5208 | |||
| PCP32:1 | C40H78O7NP | 716.5594 | (14:0p_18:1) | (16:1p_16:0) | 3.1137 ± 0.0833 | 9.8405 ± 0.3293 | ||
| PCP33:3 | C41H76O7NP | 726.5437 | (12:0p_21:3) | 1.4286 ± 0.0316 | 7.3460 ± 0.2868 | |||
| PCP33:2 | C41H78O7NP | 728.5594 | (12:0p_21:2) | 7.6677 ± 0.0876 | 38.9074 ± 1.6968 | |||
| PCP33:1 | C41H80O7NP | 730.5750 | (20:0p_13:1) | 4.7964 ± 0.0422 | 17.0722 ± 0.8424 | |||
| PCP34:4 | C42H76O7NP | 738.5437 | (16:1p_18:3) | 0.8963 ± 0.0326 | 3.6547 ± 0.0847 | |||
| PCP34:3 | C42H78O7NP | 740.5594 | (16:1p_18:2) | (16:0p_18:3) | 4.1764 ± 0.0343 | 18.8963 ± 0.7064 | ||
| PCP34:2 | C42H80O7NP | 742.5750 | (16:0p_18:2) | (16:1p_18:1) | 7.7849 ± 0.1239 | 21.5978 ± 0.7924 | ||
| PCP34:1 | C42H82O7NP | 744.5907 | (16:0p_18:1) | 10.0563 ± 0.0732 | 35.4665 ± 1.2953 | |||
| PCP34:0 | C42H84O7NP | 746.6064 | (16:0p_18:0) | 3.0220 ± 0.0679 | 6.8326 ± 0.2801 | |||
| PCP34:0e | C42H86O7NP | 748.6220 | (18:0e_16:0) | 0.1131 ± 0.0159 | 0.4825 ± 0.0106 | |||
| PCP35:5 | C43H76O7NP | 750.5437 | (12:0p_23:5) | 0.3946 ± 0.0089 | 1.6411 ± 0.0602 | |||
| PCP35:2 | C43H82O7NP | 756.5907 | (14:0p_21:2) | (18:2p_17:0) | 1.8426 ± 0.0399 | 5.1415 ± 0.0592 | ||
| PCP35:1 | C43H84O7NP | 758.6063 | (14:0p_21:1) | 0.9376 ± 0.0208 | 2.3790 ± 0.0709 | |||
| PCP36:4 | C44H80O7NP | 766.5750 | (16:0p_20:4) | 3.0664 ± 0.0773 | 9.0941 ± 0.3265 | |||
| PCP36:3 | C44H82O7NP | 768.5907 | (16:0p_20:3) | 3.4833 ± 0.0882 | 10.9291 ± 0.5581 | |||
| PCP36:2 | C44H84O7NP | 770.6063 | (18:0p_18:2) | (18:2p_18:0) | 3.4091 ± 0.0091 | 7.9785 ± 0.2539 | ||
| PCP36:1 | C44H86O7NP | 772.6220 | (18:0p_18:1) | 2.6497 ± 0.0574 | 5.5222 ± 0.1870 | |||
| PCP36:1e | C44H88O7NP | 774.6376 | (18:0e_18:1) | 0.3786 ± 0.0191 | 0.8402 ± 0.0555 | |||
| PCP37:5 | C45H80O7NP | 778.5751 | (17:0p_20:5) | 1.9257 ± 0.0132 | 4.8124 ± 0.2339 | |||
| PCP38:5 | C46H82O7NP | 792.5907 | (18:1p_20:4) | (16:1p_22:4) | (16:0p_22:5) | 2.6230 ± 0.0785 | 5.0838 ± 0.2547 | |
| PCP38:4 | C46H84O7NP | 794.6064 | (18:1p_20:3) | 1.5538 ± 0.0339 | 3.3758 ± 0.1299 | |||
| Sum PCP | 69.8598 ± 0.6163 b | 237.4056 ± 8.7765 a | ||||||
| PC | [M+H]+ | |||||||
| PC28:1 | C36H70O8NP | 676.4917 | (14:0_14:1) | (16:0_12:1) | (10:0_18:1) | 0.0015 ± 0.0002 | 0.0047 ± 0.0004 | |
| PC28:0 | C36H72O8NP | 678.5083 | (16:0_12:0) | 0.0071 ± 0.0006 | 0.0442 ± 0.0022 | |||
| PC29:0 | C37H74O8NP | 692.5239 | (14:0_15:0) | 0.0129 ± 0.0008 | 0.1301 ± 0.0025 | |||
| PC30:2 | C38H72O8NP | 702.5074 | (16:0_14:2) | (12:0_18:2) | 0.0040 ± 0.0010 | 0.0162 ± 0.0024 | ||
| PC30:1 | C38H74O8NP | 704.5239 | (16:0_14:1) | 0.0451 ± 0.0010 | 0.1204 ± 0.0150 | |||
| PC30:0 | C38H76O8NP | 706.5396 | (16:0_14:0) | 0.2832 ± 0.0049 | 1.3272 ± 0.0415 | |||
| PC31:1 | C39H76O8NP | 718.5396 | (17:1_14:0) | (15:0_16:1) | 0.1616 ± 0.0037 | 0.6787 ± 0.0081 | ||
| PC31:0 | C39H78O8NP | 720.5552 | (16:0_15:0) | (14:0_17:0) | 0.7876 ± 0.0206 | 4.3283 ± 0.0743 | ||
| PC32:3 | C40H74O8NP | 728.5230 | (14:1_18:2) | 0.0568 ± 0.0138 | 0.2641 ± 0.0205 | |||
| PC32:2 | C40H76O8NP | 730.5396 | (14:0_18:2) | (16:1_16:1) | 0.4550 ± 0.0024 | 1.4316 ± 0.0047 | ||
| PC32:1 | C40H78O8NP | 732.5552 | (16:0_16:1) | 3.5580 ± 0.0531 | 6.7597 ± 0.0945 | |||
| PC32:0 | C40H80O8NP | 734.5709 | (16:0_16:0) | 2.8296 ± 0.0759 | 7.0457 ± 0.1375 | |||
| PC33:3 | C41H76O8NP | 742.5396 | (15:0_18:3) | 0.3355 ± 0.0151 | 1.9368 ± 0.0121 | |||
| PC33:2 | C41H78O8NP | 744.5552 | (15:0_18:2) | 2.3396 ± 0.0261 | 9.8380 ± 0.1481 | |||
| PC33:1 | C41H80O8NP | 746.5709 | (17:1_16:0) | (15:0_18:1) | 4.6588 ± 0.067 | 11.5965 ± 0.1967 | ||
| PC33:0 | C41H82O8NP | 748.5865 | (16:0_17:0) | 0.8003 ± 0.0241 | 3.8705 ± 0.0143 | |||
| PC34:6 | C42H72O8NP | 750.5074 | (18:2_20:4) | 0.0020 ± 0.0003 | 0.0096 ± 0.0079 | |||
| PC34:5 | C42H74O8NP | 752.5230 | (14:0_20:5) | 0.0392 ± 0.0037 | 0.1057 ± 0.0016 | |||
| PC34:4 | C42H76O8NP | 754.5387 | (14:0_20:4) | 0.5894 ± 0.0344 | 1.3508 ± 0.0353 | |||
| PC34:3 | C42H78O8NP | 756.5552 | (16:0_18:3) | (16:1_18:2) | 12.9280 ± 0.2866 | 35.8247 ± 0.6425 | ||
| PC34:2 | C42H80O8NP | 758.5709 | (16:0_18:2) | 72.3397 ± 1.4917 | 164.5289 ± 2.0029 | |||
| PC34:1 | C42H82O8NP | 760.5865 | (16:0_18:1) | 72.7828 ± 1.4208 | 95.9041 ± 1.5406 | |||
| PC34:0 | C42H84O8NP | 762.6022 | (18:0_16:0) | 0.0288 ± 0.0031 | 0.3867 ± 0.0560 | |||
| PC35:3 | C43H80O8NP | 770.5709 | (17:0_18:3) | 2.1995 ± 0.0245 | 9.2430 ± 0.1707 | |||
| PC35:2 | C43H82O8NP | 772.5865 | (17:0_18:2) | (17:1_18:1) | 8.5158 ± 0.1864 | 30.6083 ± 0.4743 | ||
| PC35:1 | C43H84O8NP | 774.6022 | (17:0_18:1) | (17:1_18:0) | 8.0647 ± 0.1882 | 18.7384 ± 0.1406 | ||
| PC35:0 | C43H86O8NP | 776.6178 | (18:0_17:0) | 0.0795 ± 0.0052 | 0.3570 ± 0.0588 | |||
| PC36:6 | C44H76O8NP | 778.5387 | (18:3_18:3) | 0.2713 ± 0.0208 | 0.5305 ± 0.0449 | |||
| PC36:5 | C44H78O8NP | 780.5552 | (18:3_18:2) | (22:4_14:1) | (16:0_20:5) | 4.0667 ± 0.1229 | 8.3473 ± 0.1490 | |
| PC36:4 | C44H80O8NP | 782.5709 | (18:2_18:2) | (18:1_18:3) | (16:0_20:4) | 16.6778 ± 0.3539 | 34.0483 ± 0.4082 | |
| PC36:3 | C44H82O8NP | 784.5865 | (18:1_18:2) | (18:0_18:3) | 49.9707 ± 1.3100 | 109.1497 ± 0.9252 | ||
| PC36:2 | C44H84O8NP | 786.6022 | (18:0_18:2) | (18:1_18:1) | 110.6408 ± 2.4982 | 252.3240 ± 2.9393 | ||
| PC36:1 | C44H86O8NP | 788.6178 | (18:0_18:1) | 80.7553 ± 1.6176 | 129.9403 ± 0.7620 | |||
| PC36:0 | C44H88O8NP | 790.6335 | (20:0_16:0) | 1.4918 ± 0.1599 | 3.1499 ± 0.4775 | |||
| PC37:4 | C45H82O8NP | 796.5856 | (17:0_20:4) | 1.1948 ± 0.0139 | 3.7518 ± 0.0208 | |||
| PC37:3 | C45H84O8NP | 798.6022 | (19:1_18:2) | (19:2_18:1) | 1.1953 ± 0.0445 | 4.6386 ± 0.0911 | ||
| PC37:2 | C45H86O8NP | 800.6178 | (19:0_18:2) | (19:1_18:1) | 1.0680 ± 0.0268 | 3.2745 ± 0.1055 | ||
| PC37:1 | C45H88O8NP | 802.6335 | (19:0_18:1) | (19:1_18:0) | 0.9939 ± 0.0282 | 3.2822 ± 0.0265 | ||
| PC37:0 | C45H90O8NP | 804.6491 | (20:0_17:0) | 0.4192 ± 0.0245 | 1.2088 ± 0.0640 | |||
| PC38:7 | C46H78O8NP | 804.5543 | (18:2_20:5) | 0.3546 ± 0.0047 | 0.6432 ± 0.0141 | |||
| PC38:6 | C46H80O8NP | 806.5709 | (18:1_20:5) | (18:2_20:4) | 4.0472 ± 0.1119 | 4.2582 ± 0.0541 | ||
| PC38:5 | C46H82O8NP | 808.5865 | (18:0_20:5) | (18:1_20:4) | (16:0_22:5) | 18.5891 ± 0.5608 | 28.4122 ± 0.3486 | |
| PC38:4 | C46H84O8NP | 810.6022 | (18:1_20:3) | (18:0_20:4) | (20:2_18:2) | 19.9458 ± 0.5601 | 40.5747 ± 0.4657 | |
| PC38:3 | C46H86O8NP | 812.6178 | (20:0_18:3) | (18:0_20:3) | 18.6136 ± 0.5430 | 57.4257 ± 0.5301 | ||
| PC38:2 | C46H88O8NP | 814.6335 | (18:0_20:2) | (20:0_18:2) | 24.67786 ± 0.6280 | 94.1431 ± 1.1454 | ||
| PC38:1 | C46H90O8NP | 816.6491 | (18:0_20:1) | 3.9525 ± 0.1459 | 5.103 ± 0.1656 | |||
| PC38:0 | C46H92O8NP | 818.6648 | (18:0_20:0) | 2.1885 ± 0.1293 | 4.5270 ± 0.1179 | |||
| PC40:7 | C48H82O8NP | 832.5865 | (22:5_18:2) | (18:1_22:6) | (20:3_20:4) | 1.1093 ± 0.0509 | 0.9485 ± 0.0403 | |
| PC40:6 | C48H84O8NP | 834.6022 | (18:0_22:6) | (18:1_22:5) | (22:4_18:2) | 6.8078 ± 0.2098 | 4.4424 ± 0.0460 | |
| PC40:5 | C48H86O8NP | 836.6178 | (18:0_22:5) | (20:0_20:5) | (20:2_20:3) | (18:1_22:4) | 19.377 ± 0.5128 | 33.4054 ± 0.3633 |
| PC40:4 | C48H88O8NP | 838.6335 | (20:0_20:4) | (18:0_22:4) | 3.2918 ± 0.1870 | 25.7167 ± 0.3363 | ||
| PC40:3 | C48H90O8NP | 840.6491 | (20:0_20:3) | 1.3870 ± 0.0605 | 8.4191 ± 2.0322 | |||
| PC40:1 | C48H94O8NP | 844.6795 | (20:0_20:1) | 0.0176 ± 0.0018 | 0.0856 ± 0.0198 | |||
| PC42:5 | C50H90O8NP | 864.6491 | (20:0_22:5) | 0.9225 ± 0.0246 | 4.2514 ± 0.1122 | |||
| Sum PC | 588.5461 ± 12.9369 b | 1272.464 ± 13.0259 a | ||||||
| SM | [M+H]+ | |||||||
| SM30:1 | C35H71O6N2P | 647.5128 | (d18:1_12:0) | (d16:1_14:0) | 0.1283 ± 0.0018 | 0.3177 ± 0.0049 | ||
| SM31:1 | C36H73O6N2P | 661.5284 | (d17:1_14:0) | 0.1335 ± 0.0024 | 0.3959 ± 0.0100 | |||
| SM32:2 | C37H73O6N2P | 673.5284 | (d16:1_16:1) | (d18:2_14:0) | 0.1368 ± 0.0028 | 0.3696 ± 0.0064 | ||
| SM32:1 | C37H75O6N2P | 675.5441 | (d16:1_16:0) | (d18:1_14:0) | (d17:1_15:0) | 3.3529 ± 0.0679 | 7.8838 ± 0.0363 | |
| SM32:0 | C37H77O6N2P | 677.5597 | (d16:0_16:0) | (d18:0_14:0) | 0.2728 ± 0.0056 | 0.5612 ± 0.0071 | ||
| SM33:2 | C38H75O6N2P | 687.5441 | (d18:2_15:0) | (d17:1_16:1) | 0.3111 ± 0.0035 | 1.0026 ± 0.0049 | ||
| SM33:1 | C38H77O6N2P | 689.5597 | (d15:0_18:1) | (d17:1_16:0) | (d18:1_15:0) | 7.1329 ± 0.1758 | 13.6523 ± 0.0685 | |
| SM34:4 | C39H73O6N2P | 697.5284 | (d16:1_18:3) | (d16:0_18:4) | 0.2832 ± 0.0268 | 0.9461 ± 0.0227 | ||
| SM34:2 | C39H77O6N2P | 701.5597 | (d16:1_18:1) | (d18:2_16:0) | (d18:1_16:1) | 5.7788 ± 0.0882 | 11.7693 ± 0.1712 | |
| SM34:1 | C39H79O6N2P | 703.5754 | (d17:1_17:0) | (d16:0_18:1) | (d18:1_16:0) | 59.6131 ± 1.1267 | 109.9824 ± 0.5397 | |
| SM34:0 | C39H81O6N2P | 705.5910 | (d16:0_18:0) | 2.4911 ± 0.1915 | 3.6841 ± 0.3210 | |||
| SM35:2 | C40H79O6N2P | 715.5754 | (d18:2_17:0) | (d18:1_17:1) | 0.5853 ± 0.0197 | 1.9068 ± 0.0371 | ||
| SM35:1 | C40H81O6N2P | 717.5910 | (d17:0_18:1) | (d16:0_19:1) | (d18:1_17:0) | 5.2828 ± 0.1255 | 13.5006 ± 0.0116 | |
| SM36:2 | C41H81O6N2P | 729.5910 | (d18:0_18:2) | 2.6242 ± 0.0514 | 4.8988 ± 0.0770 | |||
| SM36:1 | C41H83O6N2P | 731.6067 | (d18:0_18:1) | (d18:1_18:0) | 6.4462 ± 0.1605 | 13.5778 ± 0.0486 | ||
| SM37:1 | C42H85O6N2P | 745.6223 | (d19:1_18:0) | 0.6886 ± 0.0294 | 1.4944 ± 0.0035 | |||
| SM38:2 | C43H85O6N2P | 757.6223 | (d20:0_18:2) | 0.2087 ± 0.0084 | 0.3746 ± 0.0169 | |||
| SM38:1 | C43H87O6N2P | 759.6380 | (d20:0_18:1) | (d18:1_20:0) | 1.1067 ± 0.0317 | 1.7807 ± 0.0088 | ||
| SM39:2 | C44H87O6N2P | 771.6380 | (d21:0_18:2) | 0.3146 ± 0.0070 | 0.5677 ± 0.0099 | |||
| SM39:1 | C44H89O6N2P | 773.6536 | (d16:0_23:1) | (d16:1_23:0) | (d17:1_22:0) | 1.9471 ± 0.0576 | 3.2459 ± 0.0204 | |
| SM40:3 | C45H87O6N2P | 783.6380 | (d22:0_18:3) | 0.2064 ± 0.0082 | 0.3284 ± 0.0166 | |||
| SM40:2 | C45H89O6N2P | 785.6536 | (d16:0_24:2) | (d22:0_18:2) | 2.1756 ± 0.0797 | 3.5461 ± 0.0217 | ||
| SM40:1 | C45H91O6N2P | 787.6693 | (d20:1_20:0) | (d16:0_24:1) | (d18:1_22:0) | (d16:1_24:0) | 5.8898 ± 0.1823 | 8.8262 ± 0.1028 |
| SM40:0 | C45H93O6N2P | 789.6849 | (d16:0_24:0) | (d20:0_20:0) | 0.0222 ± 0.0008 | 0.0374 ± 0.0116 | ||
| SM41:3 | C46H89O6N2P | 797.6536 | (d18:2_23:1) | (d18:1_23:2) | 0.4247 ± 0.0149 | 0.7296 ± 0.0110 | ||
| SM41:2 | C46H91O6N2P | 799.6693 | (d17:0_24:2) | (d16:0_25:2) | (d18:2_23:0) | (d17:1_24:1) | 3.4975 ± 0.1228 | 5.8030 ± 0.0584 |
| SM41:1 | C46H93O6N2P | 801.6849 | (d16:0_25:1) | (d18:1_23:0) | (d17:1_24:0) | 7.4893 ± 0.2721 | 11.9295 ± 0.0572 | |
| SM42:3 | C47H91O6N2P | 811.6693 | (d16:0_26:3) | (d18:2_24:1) | (d18:1_24:2) | 1.4378 ± 0.0499 | 2.4176 ± 0.0072 | |
| SM42:2 | C47H93O6N2P | 813.6849 | (d16:0_26:2) | (d18:1_24:1) | (d18:2_24:0) | 5.3595 ± 0.1935 | 8.3947 ± 0.0560 | |
| SM42:1 | C47H95O6N2P | 815.7006 | (d16:0_26:1) | (d18:1_24:0) | 4.9400 ± 0.1953 | 8.1677 ± 0.1511 | ||
| SM43:4 | C48H91O6N2P | 823.6693 | (d20:1_23:3) | 3.9681 ± 0.0922 | 5.5671 ± 0.0337 | |||
| SM43:2 | C48H95O6N2P | 827.7006 | (d16:0_27:2) | (d18:1_25:1) | (d18:2_25:0) | 0.8206 ± 0.0408 | 1.6176 ± 0.0170 | |
| SM43:1 | C48H97O6N2P | 829.7162 | (d16:0_27:1) | (d18:1_25:0) | 0.7480 ± 0.0257 | 1.4972 ± 0.0078 | ||
| SM44:5 | C49H91O6N2P | 835.6693 | (d18:1_26:4) | 4.1182 ± 0.1350 | 5.4686 ± 0.0546 | |||
| SM44:4 | C49H93O6N2P | 837.6849 | (d18:1_26:1) | 2.9638 ± 0.1961 | 4.4989 ± 0.0238 | |||
| SM44:2 | C49H97O6N2P | 841.7162 | (d16:0_28:2) | (d18:2_26:0) | 0.2070 ± 0.0106 | 0.3471 ± 0.0002 | ||
| SM44:1 | C49H99O6N2P | 843.7319 | (d16:0_28:1) | (d18:1_26:0) | 0.1117 ± 0.0035 | 0.1947 ± 0.0033 | ||
| Sum SM | 143.2188 ± 3.6077 b | 261.2838 ± 0.8030 a | ||||||
| LPC | [M+H]+ | |||||||
| LPC14:0 | C22H46O7NP | 468.309 | (14:0) | 0.2287 ± 0.0033 | 0.6070 ± 0.0073 | |||
| LPC15:0 | C23H48O7NP | 482.3246 | (15:0) | 1.0510 ± 0.0154 | 1.9795 ± 0.0236 | |||
| LPC16:2 | C24H46O7NP | 492.3090 | (16:2) | 0.0463 ± 0.0004 | 0.0539 ± 0.0020 | |||
| LPC16:1 | C24H48O7NP | 494.3246 | (16:1) | 1.3762 ± 0.0261 | 1.3727 ± 0.0167 | |||
| LPC16:0 | C24H50O7NP | 496.3403 | (16:0) | 27.1484 ± 0.6959 | 26.7757 ± 0.2697 | |||
| LPC17:1 | C25H50O7NP | 508.3403 | (17:1) | 0.5561 ± 0.0193 | 1.1146 ± 0.0100 | |||
| LPC17:0 | C25H52O7NP | 510.3559 | (17:0) | 2.4971 ± 0.0521 | 4.3784 ± 0.0398 | |||
| LPC18:3 | C26H48O7NP | 518.3246 | (18:3) | 1.6941 ± 0.2449 | 4.2941 ± 0.1436 | |||
| LPC18:2 | C26H50O7NP | 520.3403 | (18:2) | 9.7862 ± 0.3058 | 19.0173 ± 0.5417 | |||
| LPC18:1 | C26H52O7NP | 522.3559 | (18:1) | 16.2924 ± 0.4021 | 17.0299 ± 0.3764 | |||
| LPC18:0 | C26H54O7NP | 524.3716 | (18:0) | 28.5778 ± 0.5239 | 33.5810 ± 0.4548 | |||
| LPC19:1 | C27H54O7NP | 536.3716 | (19:1) | 0.1213 ± 0.0043 | 0.2568 ± 0.0093 | |||
| LPC20:5 | C28H48O7NP | 542.3246 | (20:5) | 0.0152 ± 0.0049 | 0.0210 ± 0.0033 | |||
| LPC20:4 | C28H50O7NP | 544.3403 | (20:4) | 0.0595 ± 0.0188 | 0.1922 ± 0.0260 | |||
| LPC20:3 | C28H52O7NP | 546.3559 | (20:3) | 0.0092 ± 0.0053 | 0.1485 ± 0.0353 | |||
| LPC20:1 | C28H56O7NP | 550.3873 | (20:1) | 0.0866 ± 0.0021 | 0.1084 ± 0.0030 | |||
| LPC20:0 | C28H58O7NP | 552.4029 | (20:0) | 0.8115 ± 0.0376 | 1.8312 ± 0.0681 | |||
| LPC22:6 | C30H50O7NP | 568.3403 | (22:6) | 0.2215 ± 0.0088 | 0.1701 ± 0.0069 | |||
| LPC22:5 | C30H52O7NP | 570.3559 | (22:5) | 0.7470 ± 0.0214 | 0.8575 ± 0.0397 | |||
| Sum LPC | 91.3260 ± 2.2802 b | 113.7898 ± 1.8506 a | ||||||
| PS | [M+H]+ | |||||||
| PS 36:3 | C42H76O10NP | 786.5291 | (18:1_18:2) | 0.0223 ± 0.0010 | 0.0203 ± 0.0011 | |||
| PS 36:2 | C42H78O10NP | 788.5447 | (18:0_18:2) | 0.0986 ± 0.0037 | 0.077 ± 0.0017 | |||
| PS 36:1 | C42H80O10NP | 790.5604 | (18:0_18:1) | 0.0798 ± 0.0021 | 0.0607 ± 0.0014 | |||
| PS 38:4 | C44H78O10NP | 812.5447 | (18:1_20:3) | 0.1214 ± 0.0030 | 0.0971 ± 0.0035 | |||
| PS 38:3 | C44H80O10NP | 814.5604 | (18:0_20:3) | 0.0198 ± 0.0005 | 0.0491 ± 0.0032 | |||
| PS 40:5 | C46H80O10NP | 838.5604 | (18:0_22:5) | 0.0814 ± 0.0030 | 0.0904 ± 0.0011 | |||
| Sum PS | 0.4234 ± 0.0037 a | 0.3947 ± 0.0094 a | ||||||
| PA | [M-H]− | |||||||
| PA 34:2 | C37H69O8P | 671.4657 | (16:0_18:2) | 0.0514 ± 0.0013 | 0.0646 ± 0.0015 | |||
| PA 34:1 | C37H71O8P | 673.4814 | (16:0_18:1) | 0.052 ± 0.0030 | 0.035 ± 0.0026 | |||
| PA 36:3 | C39H71O8P | 697.4814 | (18:2_18:1) | (18:0_18:3) | 0.0334 ± 0.0033 | 0.0563 ± 0.0068 | ||
| PA 36:2 | C39H73O8P | 699.4970 | (18:2_18:0) | 0.0895 ± 0.0031 | 0.124 ± 0.0061 | |||
| PA 36:1 | C39H75O8P | 701.5127 | (18:0_18:1) | 0.0474 ± 0.0062 | 0.052 ± 0.0035 | |||
| Sum PA | 0.2736 ± 0.0109 b | 0.3319 ± 0.0136 a | ||||||
| PG | [M-H]− | |||||||
| PG 36:4 | C42H75O10P | 769.5026 | (18:2_18:2) | 0.0002 ± 0.0002 | 0.002 ± 0.0008 | |||
| PG 36:3 | C42H77O10P | 771.5182 | (18:2_18:1) | 0.0006 ± 0.0005 | 0.002 ± 0.0004 | |||
| PG 36:2 | C42H79O10P | 773.5338 | (18:2_18:0) | (18:1_18:1) | 0.0037 ± 0.0006 | 0.0052 ± 0.0012 | ||
| PG 36:1 | C42H81O10P | 775.5495 | (18:1_18:0) | 0.0049 ± 0.0007 | 0.0052 ± 0.0010 | |||
| Sum PG | 0.0095 ± 0.0013 b | 0.0144 ± 0.0008 a | ||||||
| AcylCar | [M+H]+ | |||||||
| CAR 2:0 | C9H17NO4 | 204.1237 | (2:0) | 0.3670 ± 0.0107 | 0.1514 ± 0.0015 | |||
| CAR 3:0 | C10H19NO4 | 218.1393 | (3:0) | 0.0422 ± 0.0007 | 0.0406 ± 0.0009 | |||
| CAR 4:0 | C11H21NO4 | 232.1549 | (4:0) | 0.0213 ± 0.0005 | 0.0153 ± 0.0004 | |||
| CAR 5:0 | C12H23NO4 | 246.1705 | (5:0) | 0.0142 ± 0.0001 | 0.0145 ± 0.0001 | |||
| CAR 6:0 | C13H25NO4 | 260.1861 | (6:0) | 0.0028 ± 0.0002 | 0.0016 ± 0.0002 | |||
| CAR 8:0 | C15H29NO4 | 288.2175 | (8:0) | 0.0005 ± 0.0001 | 0.0002 ± 0.0000 | |||
| CAR 10:0 | C17H33NO4 | 316.2488 | (10:0) | 0.0010 ± 0.0001 | 0.0003 ± 0.0000 | |||
| CAR 14:0 | C21H41NO4 | 372.3114 | (14:0) | 0.0079 ± 0.0014 | 0.0044 ± 0.0002 | |||
| CAR 16:0 | C23H45NO4 | 400.3427 | (16:0) | 0.0093 ± 0.0006 | 0.0010 ± 0.0001 | |||
| CAR 18:0 | C25H49NO4 | 428.3740 | (18:0) | 0.0224 ± 0.0006 | 0.0065 ± 0.0003 | |||
| CAR 18:1 | C25H47NO4 | 426.3583 | (18:1) | 0.0177 ± 0.0004 | 0.0028 ± 0.0001 | |||
| CAR 20:0 | C27H53NO4 | 456.4047 | (20:0) | 0.0013 ± 0.0001 | 0.0010 ± 0.0002 | |||
| Sum AcylCar | 0.5076 ± 0.0109 a | 0.2397 ± 0.0010 b | ||||||
| CE | [M+NH4]+ | |||||||
| CE 16:0 | C43H76O2 | 642.6189 | 16:0 | 9.2963 ± 0.2254 | 18.8677 ± 0.7220 | |||
| CE 18:4 | C45H72O2 | 662.5876 | 18:4 | 25.2081 ± 0.1739 | 112.3138 ± 2.5923 | |||
| CE 18:3 | C45H74O2 | 664.6033 | 18:3 | 1111.8632 ± 32.6934 | 2138.4252 ± 15.2436 | |||
| CE 18:2 | C45H76O2 | 666.6189 | 18:2 | 1382.3895 ± 0.6956 | 2388.5635 ± 26.2006 | |||
| CE 18:1 | C45H78O2 | 668.6346 | 18:1 | 86.3225 ± 3.4780 | 137.1509 ± 2.3149 | |||
| CE 18:0 | C45H80O2 | 670.6502 | 18:0 | 0.3935 ± 0.0174 | 2.0939 ± 0.0126 | |||
| CE 20:5 | C47H74O2 | 688.6033 | 20:5 | 222.4054 ± 4.3741 | 372.8921 ± 2.4270 | |||
| CE 20:4 | C47H76O2 | 690.6189 | 20:4 | 200.8453 ± 2.2851 | 366.8301 ± 2.3469 | |||
| CE 20:3 | C47H78O2 | 692.6346 | 20:3 | 44.5959 ± 0.1420 | 114.5029 ± 4.8012 | |||
| CE 20:2 | C47H80O2 | 694.6502 | 20:2 | 3.6234 ± 0.0376 | 9.4212 ± 0.3536 | |||
| CE 22:6 | C49H76O3 | 714.6183 | 22:6 | 27.2166 ± 0.7906 | 11.0798 ± 0.1913 | |||
| Sum CE | 3114.1596 ± 32.2322 b | 5672.1411 ± 36.3072 a | ||||||
| Cer | [M+H]+ | |||||||
| Cer 34:1 | C34H67O3N | 538.5184 | (d18:1_16:0) | 0.0753 ± 0.0003 | 0.1140 ± 0.0053 | |||
| Cer 36:1 | C36H71O3N | 566.5512 | (d18:1_18:0) | 0.0062 ± 0.0001 | 0.0098 ± 0.0010 | |||
| Cer 38:1 | C38H75O3N | 594.5825 | (d18:1_20:0) | 0.0020 ± 0.0001 | 0.0030 ± 0.0011 | |||
| Cer 39:1 | C39H77O3N | 608.5981 | (d16:1_23:0) | (18:1_21:0) | (17:1_22:0) | 0.0056 ± 0.0000 | 0.0086 ± 0.0008 | |
| Cer 39:0 | C39H79O3N | 610.6138 | (d16:0_23:0) | 0.0044 ± 0.0000 | 0.0058 ± 0.0004 | |||
| Cer 40:1 | C40H79O3N | 622.6138 | (d18:1_22:0) | 0.0423 ± 0.0009 | 0.0476 ± 0.0025 | |||
| Cer 40:0 | C40H81O3N | 624.6294 | (d18:0_22:0) | 0.0300 ± 0.0002 | 0.0399 ± 0.0088 | |||
| Cer 41:1 | C41H81O3N | 636.6294 | (d18:1_23:0) | 0.1037 ± 0.0000 | 0.1189 ± 0.0028 | |||
| Cer 41:0 | C41H83O3N | 638.6445 | (d18:0_23:0) | 0.0565 ± 0.0011 | 0.0835 ± 0.0073 | |||
| Cer 42:2 | C42H81O3N | 648.6288 | (d18:2_24:0) | 0.0342 ± 0.0008 | 0.0382 ± 0.0052 | |||
| Cer 42:1 | C42H83O3N | 650.6451 | (d18:1_24:0) | 0.1235 ± 0.0012 | 0.1291 ± 0.0057 | |||
| Cer 42:0 | C42H85O3N | 652.6601 | (d18:0_24:0) | 0.0490 ± 0.0002 | 0.0732 ± 0.0074 | |||
| Cer 43:1 | C43H85O3N | 664.6598 | (d18:1_25:0) | 0.0435 ± 0.0000 | 0.0520 ± 0.0029 | |||
| Sum Cer | 0.6144 ± 0.0096 b | 0.7867 ± 0.0479 a | ||||||
| LacCer | [M+H]+ | |||||||
| LacCer 32:1 | C44H83O13N | 834.5937 | (d16:1_16:0) | (d18:1_14:0) | 0.0244 ± 0.0009 | 0.0647 ± 0.0027 | ||
| LacCer 33:1 | C45H85O13N | 848.6094 | (d18:1_15:0) | 0.0282 ± 0.0006 | 0.0544 ± 0.0007 | |||
| LacCer 34:2 | C46H85O13N | 860.6094 | (d18:2_16:0) | (d18:1_16:1) | (d16:1_18:1) | 0.0478 ± 0.0018 | 0.0571 ± 0.0030 | |
| LacCer 34:1 | C46H87O13N | 862.625 | (d18:1_16:0) | 0.7095 ± 0.0083 | 0.8106 ± 0.0158 | |||
| LacCer 36:2 | C48H89O13N | 888.6407 | (d18:1_18:1) | 0.0076 ± 0.0004 | 0.0103 ± 0.0006 | |||
| LacCer 36:1 | C48H91O13N | 890.6563 | (d18:1_18:0) | (d16:1_20:0) | 0.0193 ± 0.0013 | 0.0362 ± 0.0003 | ||
| LacCer 37:1 | C49H93O13N | 904.6720 | (d16:1_21:0) | 0.0013 ± 0.0002 | 0.0033 ± 0.0003 | |||
| LacCer 38:1 | C50H95O13N | 918.6876 | (d16:1_22:0) | 0.0039 ± 0.0003 | 0.0120 ± 0.0007 | |||
| LacCer 39:1 | C51H97O13N | 932.7033 | (d17:1_22:0) | (d18:1_21:0) | (d16:1_23:0) | 0.0022 ± 0.0001 | 0.0089 ± 0.0002 | |
| LacCer 40:2 | C52H97O13N | 944.7033 | (d18:1_22:1) | 0.0051 ± 0.0004 | 0.0098 ± 0.0008 | |||
| LacCer 40:1 | C52H99O13N | 946.7189 | (d18:1_22:0) | 0.0194 ± 0.0010 | 0.0410 ± 0.0020 | |||
| LacCer 41:2 | C53H99O13N | 958.7189 | (d18:2_23:0) | (d18:1_23:1) | 0.0049 ± 0.0005 | 0.0117 ± 0.0004 | ||
| LacCer 41:1 | C53H101O13N | 960.7351 | (d18:1_23:0) | 0.0115 ± 0.0000 | 0.0275 ± 0.0016 | |||
| LacCer 42:2 | C54H101O13N | 972.7351 | (d18:1_24:1) | 0.0368 ± 0.0011 | 0.0480 ± 0.0013 | |||
| LacCer 42:1 | C54H103O13N | 974.7508 | (d18:1_24:0) | 0.0184 ± 0.0002 | 0.0344 ± 0.0003 | |||
| Sum LacCer | 0.9402 ± 0.0107 b | 1.2299 ± 0.0231 a | ||||||
| GluCer | [M+H]+ | |||||||
| GlcCer 34:1 | C40H77O8N | 700.5727 | (d18:1_16:0) | (d16:0_18:1) | 0.0499 ± 0.0012 | 0.0577 ± 0.0017 | ||
| GlcCer 36:1 | C42H81O8N | 728.6035 | (d18:1_18:0) | (d16:1_20:0) | 0.0119 ± 0.0004 | 0.0159 ± 0.0004 | ||
| GlcCer 38:1 | C44H85O8N | 756.6348 | (d18:1_20:0) | 0.0060 ± 0.0003 | 0.0093 ± 0.0006 | |||
| GlcCer 39:1 | C45H87O8N | 770.6504 | (d18:1_21:0) | 0.0059 ± 0.0002 | 0.0110 ± 0.0006 | |||
| GlcCer 40:1 | C46H89O8N | 784.6666 | (d18:1_22:0) | 0.0467 ± 0.0014 | 0.0740 ± 0.0021 | |||
| GlcCer 41:1 | C47H91O8N | 798.6823 | (d18:1_23:0) | 0.0462 ± 0.0013 | 0.0904 ± 0.0023 | |||
| GlcCer 42:1 | C48H93O8N | 812.6979 | (d18:1_24:0) | 0.0794 ± 0.0027 | 0.1309 ± 0.0048 | |||
| Sum GluCer | 0.2460 ± 0.0059 b | 0.3892 ± 0.0118 a | ||||||
| FFA | [M-H]− | |||||||
| C16:0 | C16H32O2 | 255.2330 | (16:0) | 22.5066 ± 2.5411 | 5.8133 ± 0.7283 | |||
| C18:0 | C18H36O2 | 283.2643 | (18:0) | 29.2070 ± 3.7099 | 8.8109 ± 1.1622 | |||
| C18:1 | C18H34O2 | 281.2486 | (18:1) | 72.1494 ± 3.9841 | 21.1765 ± 0.7292 | |||
| C18:2 | C18H32O2 | 279.2330 | (18:2) | 14.0737 ± 0.5939 | 7.2478 ± 0.7854 | |||
| C20:0 | C20H40O2 | 311.2955 | (20:0) | 14.7507 ± 0.6851 | 8.4132 ± 0.4794 | |||
| C20:1 | C20H38O2 | 309.2799 | (20:1) | 0.5974 ± 0.0438 | 0.2718 ± 0.0852 | |||
| Sum FFA | 153.2849 ± 3.4000 a | 51.7336 ± 0.0853 b | ||||||
| SCFA 1 | [M-H]− | FA | ||||||
| C2 | C2H4O2 | 194.0566 | (2:0) | 50.6667 ± 0.1155 | 70.4000 ± 0.9165 | |||
| C3 | C3H6O2 | 208.0723 | (3:0) | 1.3037 ± 0.0296 | 2.2123 ± 0.0171 | |||
| iso-C4 | C4H8O2 | 222.0879 | (4:0) | 0.1462 ± 0.0014 | 0.2386 ± 0.0024 | |||
| C4 | C4H8O2 | 222.0879 | (4:0) | 0.8620 ± 0.0074 | 2.3270 ± 0.0147 | |||
| Sum SCFA | 52.9786 ± 0.1325 b | 75.1789 ± 0.9247 a | ||||||
| BHBA | C4H8O3 | 238.0828 | NA | 81.1872 ± 1.9437 a | 76.3470 ± 0.5703 b |
Note: 1 For SCFA, m/z of 3-NPH-tagged molecules are given. All concentrations are means of 3 measurements ± SD of pooled samples from 15 cows for each stage. For each lipid class, the sum concentrations followed by different letters are significantly different between the two lactation stages (p < 0.05).
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Liu, Z.; Wang, W.; Hemsworth, J.E.; Reich, C.M.; Bath, C.R.; Berkhout, M.J.; Tahir, M.S.; Ezernieks, V.; Marett, L.C.; Chamberlain, A.J.; et al. Comprehensive Characterization of Serum Lipids of Dairy Cows: Effects of Negative Energy Balance on Lipid Remodelling. Metabolites 2025, 15, 274. https://doi.org/10.3390/metabo15040274
AMA Style
Liu Z, Wang W, Hemsworth JE, Reich CM, Bath CR, Berkhout MJ, Tahir MS, Ezernieks V, Marett LC, Chamberlain AJ, et al. Comprehensive Characterization of Serum Lipids of Dairy Cows: Effects of Negative Energy Balance on Lipid Remodelling. Metabolites. 2025; 15(4):274. https://doi.org/10.3390/metabo15040274
Chicago/Turabian StyleLiu, Zhiqian, Wenjiao Wang, Joanne E. Hemsworth, Coralie M. Reich, Carolyn R. Bath, Monique J. Berkhout, Muhammad S. Tahir, Vilnis Ezernieks, Leah C. Marett, Amanda J. Chamberlain, and et al. 2025. "Comprehensive Characterization of Serum Lipids of Dairy Cows: Effects of Negative Energy Balance on Lipid Remodelling" Metabolites 15, no. 4: 274. https://doi.org/10.3390/metabo15040274
APA StyleLiu, Z., Wang, W., Hemsworth, J. E., Reich, C. M., Bath, C. R., Berkhout, M. J., Tahir, M. S., Ezernieks, V., Marett, L. C., Chamberlain, A. J., Goddard, M. E., & Rochfort, S. J. (2025). Comprehensive Characterization of Serum Lipids of Dairy Cows: Effects of Negative Energy Balance on Lipid Remodelling. Metabolites, 15(4), 274. https://doi.org/10.3390/metabo15040274
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