#METABOLOMICS WORKBENCH lamitinalab_20250519_094345 DATATRACK_ID:5927 STUDY_ID:ST004039 ANALYSIS_ID:AN006677 PROJECT_ID:PR002531 VERSION 1 CREATED_ON July 11, 2025, 12:21 pm #PROJECT PR:PROJECT_TITLE Soma to neuron communication links stress adaptation to stress avoidance PR:PROJECT_TITLE behavior PR:PROJECT_SUMMARY In multicellular organisms, signaling from the nervous system to the peripheral PR:PROJECT_SUMMARY tissues can activate physiological responses to stress. Here, we show that PR:PROJECT_SUMMARY inter-tissue stress communication can also function in reverse, i.e. from the PR:PROJECT_SUMMARY peripheral tissue to the nervous system. osm-8 mutants, which activate the PR:PROJECT_SUMMARY osmotic stress response in the C. elegans skin, also exhibit defective osmotic PR:PROJECT_SUMMARY avoidance behavior, which is regulated by the ASH neuronal avoidance circuit. PR:PROJECT_SUMMARY osm-8 osmotic avoidance behavior is completely suppressed by mutation of the PR:PROJECT_SUMMARY Patched/NPC1 homolog ptr-23. The function of osm-8 and ptr-23 in the hypodermal PR:PROJECT_SUMMARY epithelial cells is both necessary and sufficient for directing neuronal osmotic PR:PROJECT_SUMMARY avoidance behavior. Endogenously tagged alleles of osm-8 and ptr-23 co-localize PR:PROJECT_SUMMARY exclusively in the hypodermal lysosomes. Unbiased lipidomic analysis shows that PR:PROJECT_SUMMARY osm-8 leads to a ptr-23-dependent elevation of the lysosome specific lipid PR:PROJECT_SUMMARY bis(monoacylglycero)phosphate (BMP) and expansion of the pool of hypodermal PR:PROJECT_SUMMARY lysosomes. Just as genetic activation of the osmotic stress response by loss of PR:PROJECT_SUMMARY osm-8 in the hypodermis causes an Osm phenotype, acute physiological exposure to PR:PROJECT_SUMMARY osmotic stress also confers a reversible Osm phenotype. Behavioral plasticity PR:PROJECT_SUMMARY requires glycerol production, as mutations in the glycerol biosynthetic enzymes PR:PROJECT_SUMMARY gpdh-1 and gpdh-2 are defective in acquired Osm behavior. While the osm-8 PR:PROJECT_SUMMARY induced Osm behavior requires ptr-23, physiologically induced Osm behavior does PR:PROJECT_SUMMARY not. Instead, both genetic and physiologically induced Osm phenotypes require PR:PROJECT_SUMMARY the unusual non-neuronal lysosomal V-ATPase subunit vha-5, which is also PR:PROJECT_SUMMARY critical for organismal osmotic stress survival. Together, these data reveal PR:PROJECT_SUMMARY that genetic or physiological activation of stress signaling from the skin PR:PROJECT_SUMMARY elicits lysosome-associated signals that modulate the function of a sensory PR:PROJECT_SUMMARY neuron circuit. Such ‘body-brain’ interoceptive communication may allow PR:PROJECT_SUMMARY organisms to better match neuronal decision-making with organismal physiological PR:PROJECT_SUMMARY state. PR:INSTITUTE University of Pittsburgh PR:DEPARTMENT Pediatrics and Cell Biology PR:LABORATORY Lamitina Lab PR:LAST_NAME Lamitina PR:FIRST_NAME Todd PR:ADDRESS Childrens Hospital of Pittsburgh PR:EMAIL stl52@pitt.edu PR:PHONE 267-439-0330 PR:FUNDING_SOURCE NIH R01GM135577; NIH S10OD023402 #STUDY ST:STUDY_TITLE Soma to neuron communication links stress adaptation to stress avoidance ST:STUDY_TITLE behavior ST:STUDY_SUMMARY In multicellular organisms, signaling from the nervous system to the peripheral ST:STUDY_SUMMARY tissues can activate physiological responses to stress. Here, we show that ST:STUDY_SUMMARY inter-tissue stress communication can also function in reverse, i.e. from the ST:STUDY_SUMMARY peripheral tissue to the nervous system. osm-8 mutants, which activate the ST:STUDY_SUMMARY osmotic stress response in the C. elegans skin, also exhibit defective osmotic ST:STUDY_SUMMARY avoidance behavior, which is regulated by the ASH neuronal avoidance circuit. ST:STUDY_SUMMARY osm-8 osmotic avoidance behavior is completely suppressed by mutation of the ST:STUDY_SUMMARY Patched/NPC1 homolog ptr-23. The function of osm-8 and ptr-23 in the hypodermal ST:STUDY_SUMMARY epithelial cells is both necessary and sufficient for directing neuronal osmotic ST:STUDY_SUMMARY avoidance behavior. Endogenously tagged alleles of osm-8 and ptr-23 co-localize ST:STUDY_SUMMARY exclusively in the hypodermal lysosomes. Unbiased lipidomic analysis shows that ST:STUDY_SUMMARY osm-8 leads to a ptr-23-dependent elevation of the lysosome specific lipid ST:STUDY_SUMMARY bis(monoacylglycero)phosphate (BMP) and expansion of the pool of hypodermal ST:STUDY_SUMMARY lysosomes. Just as genetic activation of the osmotic stress response by loss of ST:STUDY_SUMMARY osm-8 in the hypodermis causes an Osm phenotype, acute physiological exposure to ST:STUDY_SUMMARY osmotic stress also confers a reversible Osm phenotype. Behavioral plasticity ST:STUDY_SUMMARY requires glycerol production, as mutations in the glycerol biosynthetic enzymes ST:STUDY_SUMMARY gpdh-1 and gpdh-2 are defective in acquired Osm behavior. While the osm-8 ST:STUDY_SUMMARY induced Osm behavior requires ptr-23, physiologically induced Osm behavior does ST:STUDY_SUMMARY not. Instead, both genetic and physiologically induced Osm phenotypes require ST:STUDY_SUMMARY the unusual non-neuronal lysosomal V-ATPase subunit vha-5, which is also ST:STUDY_SUMMARY critical for organismal osmotic stress survival. Together, these data reveal ST:STUDY_SUMMARY that genetic or physiological activation of stress signaling from the skin ST:STUDY_SUMMARY elicits lysosome-associated signals that modulate the function of a sensory ST:STUDY_SUMMARY neuron circuit. Such ‘body-brain’ interoceptive communication may allow ST:STUDY_SUMMARY organisms to better match neuronal decision-making with organismal physiological ST:STUDY_SUMMARY state. ST:INSTITUTE University of Pittsburgh ST:DEPARTMENT Pediatrics and Cell Biology ST:LABORATORY Lamitina Lab ST:LAST_NAME Lamitina ST:FIRST_NAME Todd ST:ADDRESS 4401 Penn Ave, Rangos 7122 ST:EMAIL stl52@pitt.edu ST:PHONE 12674390330 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 18 ST:PUBLICATIONS https://doi.org/10.1101/2025.05.07.652728 #SUBJECT SU:SUBJECT_TYPE Invertebrate SU:SUBJECT_SPECIES Caenorhabditis elegans SU:TAXONOMY_ID 6239 SU:GENOTYPE_STRAIN Wild type, osm-8(dr170), osm-8(dr170); ptr-23(dr180) SU:AGE_OR_AGE_RANGE Day 1 adults SU:GENDER Hermaphrodite #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 1 N2_1 Sample source:C.Elegans tissue | Genotype:Wild type RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_1.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_1.mzXML SUBJECT_SAMPLE_FACTORS 2 N2_2 Sample source:C.Elegans tissue | Genotype:Wild type RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_2.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_2.mzXML SUBJECT_SAMPLE_FACTORS 3 N2_3 Sample source:C.Elegans tissue | Genotype:Wild type RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_3.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_3.mzXML SUBJECT_SAMPLE_FACTORS 4 N2_4 Sample source:C.Elegans tissue | Genotype:Wild type RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_4.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_4.mzXML SUBJECT_SAMPLE_FACTORS 5 N2_5 Sample source:C.Elegans tissue | Genotype:Wild type RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_5.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_5.mzXML SUBJECT_SAMPLE_FACTORS 6 N2_6 Sample source:C.Elegans tissue | Genotype:Wild type RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_6.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_6.mzXML SUBJECT_SAMPLE_FACTORS 7 dr170_1 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_7.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_7.mzXML SUBJECT_SAMPLE_FACTORS 8 dr170_2 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_8.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_8.mzXML SUBJECT_SAMPLE_FACTORS 9 dr170_3 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_9.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_9.mzXML SUBJECT_SAMPLE_FACTORS 10 dr170_4 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_10.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_10.mzXML SUBJECT_SAMPLE_FACTORS 11 dr170_5 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_11.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_11.mzXML SUBJECT_SAMPLE_FACTORS 12 dr170_6 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_12.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_12.mzXML SUBJECT_SAMPLE_FACTORS 13 dr170 dr180_1 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_13.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_13.mzXML SUBJECT_SAMPLE_FACTORS 14 dr170 dr180_2 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_14.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_14.mzXML SUBJECT_SAMPLE_FACTORS 15 dr170 dr180_3 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_15.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_15.mzXML SUBJECT_SAMPLE_FACTORS 16 dr170 dr180_4 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_16.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_16.mzXML SUBJECT_SAMPLE_FACTORS 17 dr170 dr180_5 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_17.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_17.mzXML SUBJECT_SAMPLE_FACTORS 18 dr170 dr180_6 Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) RAW_FILE_NAME_PositivePolarity=013025_Lamitina_CElegans_Lipid_Pos_18.mzXML; RAW_FILE_NAME_NegtivePolarity=013025_Lamitina_CElegans_Lipid_Neg_18.mzXML #COLLECTION CO:COLLECTION_SUMMARY For each replicate, N2, osm-8(dr170), and osm-8(dr170); ptr-23(dr180) animals CO:COLLECTION_SUMMARY were seeded on 3x15 cm NGM plate with a lawn of OP50 as starved L1s. Animals CO:COLLECTION_SUMMARY were grown at 20ºC until animals were day 1 adults. We collected a total of six CO:COLLECTION_SUMMARY replicates for each genotype for analysis. Worms were washed off plates using M9 CO:COLLECTION_SUMMARY buffer, pelleted in a swinging bucket centrifuge at 2,000xg for 1 minute, and CO:COLLECTION_SUMMARY then washed three times. Worm pellets were resuspended in 10ml of M9 buffer and CO:COLLECTION_SUMMARY incubated at 20ºC with rocking for 15 minutes to evacuate OP50 bacteria from CO:COLLECTION_SUMMARY the intestine. Worms were pelleted and the density of worms per microliter was CO:COLLECTION_SUMMARY calculated for each strain. For each sample, ~5,000 worms were pipetted into CO:COLLECTION_SUMMARY 2.0ml tubes containing a MP Bio Matrix A (garnet/ceramic sphere) and frozen at CO:COLLECTION_SUMMARY -80ºC prior to processing. CO:SAMPLE_TYPE Worms CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS 2.0ml tubes CO:ADDITIVES MP Bio Matrix A #TREATMENT TR:TREATMENT_SUMMARY No treatment. All strains were grown under identical isotonic plate conditions TR:TREATMENT_SUMMARY (51mM NaCl NGM plates). The only variable was genotype. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolic quenching, lysis, and lipid extraction was performed by adding 0.5mL SP:SAMPLEPREP_SUMMARY ice cold phosphate buffered saline. Samples were homogenized in MP Biomatrix A SP:SAMPLEPREP_SUMMARY tubes at 60 Hz for 1 minute. Uncleared supernatant (400 µL) was transferred to SP:SAMPLEPREP_SUMMARY a clean glass tube containing 10 µL of LipidSplash, deuterated internal SP:SAMPLEPREP_SUMMARY standards (Avanti Polar Lipids. Alabaster, AL) and subjected to Folch SP:SAMPLEPREP_SUMMARY extraction. Samples were rested on ice for 10 minutes before phase separation SP:SAMPLEPREP_SUMMARY via centrifugation at 2500 x g for 15 minutes. The organic phase (0.7 mL) was SP:SAMPLEPREP_SUMMARY transferred to a clean glass vial and dried to completion under N2. Samples were SP:SAMPLEPREP_SUMMARY resuspended in 100 µL of 1:1 acetonitrile:isopropanol and 3µL was injected for SP:SAMPLEPREP_SUMMARY online LC-HRMS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Briefly, samples were injected via a Thermo Vanquish UHPLC and separated over a CH:CHROMATOGRAPHY_SUMMARY reversed phase Thermo Accucore C-18 column (2.1×100mm, 5μm particle size) CH:CHROMATOGRAPHY_SUMMARY maintained at 55°C. For the 30 minute LC gradient, the mobile phase consisted CH:CHROMATOGRAPHY_SUMMARY of the following: solvent A (50:50 H2O:ACN 10 mM ammonium acetate/0.1% acetic CH:CHROMATOGRAPHY_SUMMARY acid) and solvent B (90:10 IPA:ACN 10 mM ammonium acetate/0.1% acetic acid). The CH:CHROMATOGRAPHY_SUMMARY gradient started at 30% B and increased to 43%B over 2 minutes followed by an CH:CHROMATOGRAPHY_SUMMARY increase to 55%B in 0.1 minute. The organic increased to 65%B over the next 10 CH:CHROMATOGRAPHY_SUMMARY minutes, followed by an increase to 85%B over 6 minutes. For column washing the CH:CHROMATOGRAPHY_SUMMARY gradient increased to 100%B over 2 minutes and was held for 5 minutes followed CH:CHROMATOGRAPHY_SUMMARY by 5 minutes of equilibration at 30%B. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Thermo Accucore Vanquish C18+ UHPLC (100 x 2.1mm, 1.5um) CH:SOLVENT_A 50% water/50% acetonitrile; 10 mM ammonium acetate; 0.1% acetic acid CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 10 mM ammonium acetate; 0.1% acetic acid CH:FLOW_GRADIENT 30% B and increased to 43%B over 2 minutes followed by an increase to 55%B in CH:FLOW_GRADIENT 0.1 minute. The organic increased to 65%B over the next 10 minutes, followed by CH:FLOW_GRADIENT an increase to 85%B over 6 minutes. For column washing the gradient increased to CH:FLOW_GRADIENT 100%B over 2 minutes and was held for 5 minutes followed by 5 minutes of CH:FLOW_GRADIENT equilibration at 30%B CH:FLOW_RATE 0.260mL/min CH:COLUMN_TEMPERATURE 55 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap ID-X Tribrid MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The Thermo ID-X tribrid mass spectrometer was operated in both positive and MS:MS_COMMENTS negative ESI mode. A data-dependent MS2 method was used with scanning in Full MS MS:MS_COMMENTS mode from 200 to 1500 m/z at 120,000 resolution with an AGC target of 5e4 for MS:MS_COMMENTS triggering MS2 fragmentation using stepped HCD collision energies at 20, 40, and MS:MS_COMMENTS 60% in the Orbitrap at 15,000 resolution. Source ionization settings were 3.5kV MS:MS_COMMENTS and 2.4kV spray voltage, respectively for positive and negative mode. Source gas MS:MS_COMMENTS parameters were 35 sheath gas, 5 auxiliary gas at 300°C, and 1 sweep gas. MS:MS_COMMENTS Calibration was performed prior to analysis using the PierceTM FlexMix Ion MS:MS_COMMENTS Calibration Solutions (Thermo Fisher Scientific). Internal standard peak areas MS:MS_COMMENTS were then extracted manually using Quan Browser (Thermo Fisher Xcalibur ver. MS:MS_COMMENTS 4.4), normalized to weight and internal standard peak area, then graphed using MS:MS_COMMENTS GraphPad PRISM (ver 9.0). Untargeted differential comparisons were performed MS:MS_COMMENTS using LipidSearch 5.1 (Thermo Fisher) to generate a ranked list of significant MS:MS_COMMENTS lipid compounds at the class and species-specific levels. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized Peak area MS_METABOLITE_DATA_START Samples N2_1 N2_2 N2_3 N2_4 N2_5 N2_6 dr170_1 dr170_2 dr170_3 dr170_4 dr170_5 dr170_6 dr170 dr180_1 dr170 dr180_2 dr170 dr180_3 dr170 dr180_4 dr170 dr180_5 dr170 dr180_6 Factors Sample source:C.Elegans tissue | Genotype:Wild type Sample source:C.Elegans tissue | Genotype:Wild type Sample source:C.Elegans tissue | Genotype:Wild type Sample source:C.Elegans tissue | Genotype:Wild type Sample source:C.Elegans tissue | Genotype:Wild type Sample source:C.Elegans tissue | Genotype:Wild type Sample source:C.Elegans tissue | Genotype:osm-8(dr170) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) Sample source:C.Elegans tissue | Genotype:osm-8(dr170) ptr-23(dr180) TG(5:0_18:2_20:5)+Na 0.000923663 0.001503064 0.000622053 0.000855027 0.000742306 0.000855554 NF 3.49E-05 NF NF NF NF 0.000416964 0.000543327 0.000525586 0.000325364 0.000421589 0.000400673 PG(17:1_18:1)+NH4 0.000256976 0.000205205 0.000230736 0.000193077 0.000303779 0.000391106 0.002104867 0.002424205 0.002163224 0.002149684 0.002325927 0.002597607 0.00023648 0.00019265 0.00025114 0.000144924 0.000141964 0.000155052 PC(18:2_20:4)+Na_1 0.023213274 0.029833511 0.022512874 0.010715818 0.028629913 0.021704676 0.003296684 0.006332973 0.004563297 0.0041821 0.005475526 0.003640339 0.017823423 0.017237717 0.018416157 0.017637351 0.0199358 0.017859666 TG(5:0_18:2_20:5)+NH4 0.012961323 0.012508403 0.005898908 0.008415109 0.009323988 0.010833685 0.000135561 0.000557444 0.000386082 0.000289535 0.000421199 0.000290568 0.003395103 0.004057025 0.004405184 0.003512154 0.003970023 0.003729988 Cer(d17:1_23:0)+H_1 0.005121625 0.0054508 0.002808281 0.004191297 0.00409981 0.004583005 0.000309874 0.000513215 0.000522485 0.000399467 0.000573468 0.000390294 0.00185534 0.001797111 0.00196286 0.001958821 0.001729994 0.001654108 TG(5:0_18:3_20:5)+NH4 0.006390175 0.00645864 0.003128538 0.0048923 0.005142203 0.006052235 9.32E-05 0.000309347 0.000199112 0.000139774 0.000302407 0.00018048 0.001715317 0.002036754 0.002315499 0.002199439 0.002145461 0.001877606 TG(5:0_20:4_20:5)+NH4_1 0.004829274 0.005067836 0.001971582 0.003882321 0.003858443 0.004547366 2.35E-10 2.01E-10 1.44E-10 6.98E-11 5.99E-10 1.43E-10 0.00171221 0.002339424 0.002459804 0.002371882 0.002227618 0.001942993 PC(18:0_20:4)+Na 0.002960849 0.003407054 0.001816831 0.002550953 0.002767943 0.002677736 0.000445377 0.000610936 0.000375537 0.000311025 0.000488595 0.00028866 0.00172454 0.00192002 0.002204761 0.002132592 0.001982653 0.001923454 TG(2:0_3:0_36:1)+H 0.000501341 0.000309363 0.000317216 0.000293677 0.000301697 0.000157429 0.000417396 0.000346481 0.000269121 0.000248375 0.00039898 0.00022689 0.001855483 0.001635092 0.002021545 0.001994457 0.002197295 0.001770224 DG(17:0_20:4)+NH4_1 0.002584261 0.002435356 0.00101375 0.001930738 0.002428091 0.002263624 0.000384844 0.000450887 0.000398454 0.000266167 0.000261552 0.000275624 0.001231733 0.001059324 0.001294436 0.00125107 0.001242762 0.001142034 Cer(d17:1_23:1)+H_1 0.0061987 0.006137281 0.003603038 0.004761244 0.005103082 0.005299989 0.000773239 0.001017616 0.000742383 0.000745384 0.001017603 0.000653918 0.002509507 0.002749352 0.002721591 0.002647193 0.002753746 0.002261947 PC(19:1_20:4)+Na_1 0.010366446 0.012830347 0.008299877 0.009099326 0.010927765 0.009986935 0.00440263 0.004745557 0.003395619 0.003085703 0.003614597 0.003144993 0.008653084 0.009013812 0.009437464 0.009353069 0.00949724 0.009103648 PC(18:3_20:5)+Na 0.065373278 0.065571379 0.043790825 0.05524598 0.055819024 0.054352328 0.005273378 0.012370352 0.008135709 0.006445275 0.008757961 0.00650988 0.031925366 0.03398557 0.028681591 0.031583056 0.031563138 0.03550157 PC(20:2_20:5)+Na 0.014431404 0.022602896 0.013674453 0.012553216 0.016240662 0.01377797 0.001450987 0.004864785 0.002405688 0.002545203 0.003974656 0.002278419 0.012443408 0.014904879 0.013205522 0.012933992 0.013928479 0.013835812 DG(21:0_20:5)+NH4 0.001719235 0.00175731 0.000704594 0.001138901 0.001298191 0.001443915 6.28E-05 0.000126959 1.00E-04 6.88E-05 6.08E-05 3.36E-05 0.000384137 0.000396784 0.000389884 0.000429006 0.000380825 0.000334315 PC(O-23:6_19:4)+Na 0.000689023 0.000748255 0.000458411 0.000582703 0.000747485 0.000641197 0.000110212 0.000161773 0.000146885 7.94E-05 0.000161775 0.000110417 0.000446685 0.000572505 0.000526843 0.000508746 0.000556536 0.000487708 DG(19:1_18:2)+NH4_1 0.021424978 0.019735575 0.009095313 0.012482049 0.016927759 0.016533264 0.002246022 0.00296165 0.001534917 0.002101113 0.002373565 0.002063699 0.006754553 0.006455499 0.006549378 0.00568437 0.006078095 0.006267986 Cer(d17:1_23:1)+H_2 0.044827813 0.048675484 0.030655566 0.038322758 0.041243069 0.041917456 0.006618397 0.007934771 0.007631712 0.005626572 0.00722549 0.005868849 0.017224697 0.017549806 0.017169632 0.017642591 0.019373408 0.015433987 Cer(d17:1_22:1)+H_1 0.002410347 0.002362592 0.00142112 0.00195781 0.002083945 0.0019077 0.000360836 0.000488968 0.00030423 0.000376565 0.000487786 0.00031907 0.001240696 0.001081572 0.001056782 0.001150174 0.001261472 0.001173621 PC(O-17:3_20:3)+H 0.001938391 0.002409866 0.001414937 0.00173287 0.002057767 0.002291258 0.000246811 0.00021625 0.000106033 9.28E-05 0.000211165 0.0001807 0.000667374 0.000641205 0.000729369 0.000676879 0.000770663 0.00070014 TG(5:0_18:1_20:4)+NH4_1 0.007975386 0.007822286 0.003602871 0.006363362 0.005643384 0.006809552 9.90E-05 0.000376972 0.000238782 0.000195261 0.000373683 0.000195232 0.001720449 0.002227851 0.00229424 0.002122249 0.002020472 0.001745922 Cer(d17:0_21:0)+H 0.010371683 0.010827666 0.005649325 0.009484964 0.008802841 0.01008559 0.000549437 0.000991451 0.000904292 0.000591354 0.000782868 0.000660309 0.002613715 0.002375026 0.00273434 0.002729606 0.002725701 0.002252026 TG(5:0_18:2_20:4)+NH4 0.003849004 0.003487484 0.001801826 0.00265751 0.002845825 0.003487605 3.93E-05 0.000126754 0.000107983 5.66E-05 0.000184336 7.01E-05 0.000893127 0.001185426 0.001122412 0.001266441 0.001250346 0.001019417 TG(5:0_15:0_18:2)+NH4 0.007241195 0.006787984 0.003374608 0.005442173 0.005416061 0.006290492 0.000211077 0.000267516 0.000243909 0.000186771 0.000218995 0.000186271 0.001314944 0.001615029 0.001592812 0.001601099 0.001555845 0.001164341 TG(5:0_18:1_20:5)+NH4 0.02110817 0.021676688 0.009827711 0.017085301 0.015212097 0.019870079 0.000341868 0.001034818 0.000736041 0.000532846 0.000994014 0.000534642 0.004459185 0.005343442 0.005936398 0.0055791 0.005513493 0.004360761 TG(5:0_17:1_18:2)+NH4 0.023597353 0.022671892 0.010860426 0.017501126 0.017401524 0.021100784 0.000532916 0.001654638 0.001085277 0.001031164 0.001385884 0.001027614 0.00526491 0.006417579 0.007007753 0.006151163 0.00633187 0.005274841 PC(20:4_20:4)+Na_1 0.00179618 0.002147683 0.001606744 0.001416164 0.001951774 0.001817462 0.001199828 0.001555316 0.000918567 0.0010735 0.00110181 0.0008555 0.003155367 0.003031396 0.002819977 0.002991886 0.003181731 0.002781535 TG(5:0_17:0_20:5)+NH4 0.003663303 0.002913149 0.00162586 0.002860347 0.002567788 0.002559727 0.000164403 0.000358029 0.000262004 0.000150897 0.000295777 0.000203911 0.001110825 0.001438376 0.001455145 0.00121258 0.001251517 0.001162635 TG(5:0_17:1_18:1)+Na 0.005186567 0.00690519 0.004014933 0.004789862 0.005543682 0.005312488 0.000263217 0.000741093 0.000602654 0.000575211 0.000705171 0.000523826 0.00209918 0.002021149 0.002460015 0.00234686 0.002465737 0.002046791 PC(20:1CHO_20:5)+H_1 0.00069684 0.000210659 0.000682867 0.000759812 0.00049662 0.000584962 0.000142754 0.000226439 0.000263906 0.000178329 0.000193011 0.000236129 0.001016529 0.000772957 0.00101144 0.001041495 0.001011942 0.000849089 TG(5:0_15:0_15:1)+NH4 0.003112923 0.002999273 0.001366555 0.002830069 0.002609579 0.003105702 0.000191605 0.000353726 0.000232719 0.00022844 0.000324405 0.000253785 0.001043701 0.001200429 0.001361997 0.001362247 0.001256338 0.001062522 TG(5:0_17:1_17:2)+NH4 0.002270957 0.002858069 0.001426985 0.002259475 0.002841212 0.003119651 0.000140769 0.000312815 0.000195439 0.000155597 0.000211828 0.000225641 0.000912464 0.00086274 0.001134546 0.00104117 0.001046049 0.000882148 Cer(d17:1_23:0)+H_2 0.03539193 0.04313742 0.025123063 0.034334463 0.033054967 0.03527149 0.003716622 0.005088075 0.005639009 0.003393883 0.004814141 0.003643496 0.012968712 0.013466123 0.012113651 0.013328274 0.013298812 0.010932755 PC(18:2_18:3)+Na 0.020783046 0.023424887 0.016440883 0.017300115 0.021961837 0.018797018 0.001447909 0.002841434 0.00201421 0.001919549 0.00236266 0.001774352 0.010149035 0.009041748 0.011355808 0.011251448 0.01021908 0.008295614 TG(5:0_20:5_20:5)+NH4 0.012647184 0.014156224 0.006767142 0.011152729 0.01113405 0.011713316 0.000241424 0.00068033 0.000470906 0.000263637 0.000532655 0.000309417 0.003584371 0.003839531 0.004599069 0.004789985 0.003781594 0.003405634 TG(5:0_15:0_18:1)+Na 0.001697649 0.002024722 0.001094623 0.001491428 0.001621886 0.001434212 6.72E-05 0.000110824 7.71E-05 5.27E-05 9.64E-05 7.50E-05 0.000361093 0.00044925 0.000480113 0.00045803 0.000416959 0.000354538 Co(Q7)+NH4 0.001808148 0.002057864 0.000726391 0.001232383 0.001340223 0.001658064 4.11E-05 0.000204251 0.000139629 0.000113018 0.000197232 9.39E-05 0.000990517 0.001238901 0.001514269 0.001355548 0.001258628 0.001113642 DG(18:0_20:4)+NH4_1 0.010207149 0.010018659 0.004051734 0.00660611 0.007381495 0.008520183 0.001589998 0.00254215 0.001644199 0.001608998 0.001918777 0.001353202 0.00554595 0.005064124 0.006673196 0.005514169 0.005554241 0.005694619 PC(18:0_18:1)+Na 0.010849911 0.013675308 0.009542354 0.010375731 0.011759099 0.011186548 0.003405788 0.004589268 0.003842157 0.003514988 0.004395783 0.003260021 0.007673366 0.007816632 0.007329742 0.007999715 0.008353702 0.007301939 TG(24:0_19:1_18:2)+NH4 0.035117397 0.022303711 0.01593915 0.029084745 0.02152702 0.01916076 0.001271251 0.002261639 0.002010331 0.001499795 0.00199818 0.001577229 0.004991665 0.006400134 0.006427439 0.006227532 0.006249616 0.005310906 TG(5:0_20:3_20:5)+NH4 0.00800876 0.008464482 0.003514276 0.006414643 0.005937666 0.007830394 0.000126864 0.00035627 0.000294323 0.000125075 0.000336545 0.000208222 0.002188724 0.002811249 0.003175381 0.003170676 0.002719263 0.002287921 TG(5:0_20:5_20:5)+Na 0.000673843 0.001222624 0.000603031 0.000786497 0.000862702 0.000810866 1.60E-05 9.35E-05 6.81E-05 3.67E-05 6.72E-05 1.75E-05 0.000460762 0.000456212 0.000445762 0.000529495 0.000379755 0.000362781 Cer(d17:1_24:1)+H_1 0.019264845 0.019973345 0.011937835 0.016275443 0.016460534 0.01709552 0.00369046 0.003749408 0.003333589 0.002801296 0.004010173 0.002679659 0.009727055 0.009901481 0.011023214 0.010940418 0.010479486 0.008227262 TG(5:0_20:3_20:4)+NH4 0.001265887 0.001431106 0.000480115 0.001140581 0.00086071 0.002072002 3.17E-08 3.43E-05 1.56E-05 2.22E-05 1.39E-05 1.83E-07 0.000440885 0.000521536 0.000561892 0.000600812 0.000529086 0.000368572 TG(5:0_20:4_20:5)+NH4_2 0.007030315 0.007347615 0.00299545 0.005859021 0.005441714 0.006961989 2.35E-10 2.01E-10 1.44E-10 6.98E-11 5.99E-10 1.43E-10 0.001421831 0.001572589 0.001988206 0.002216936 0.001692004 0.001528435 TG(5:0_17:1_20:5)+NH4 0.011550028 0.01173742 0.005313116 0.00827577 0.008374544 0.010158629 0.000328166 0.000689926 0.000478342 0.000327951 0.000592913 0.000397917 0.002642973 0.003292485 0.003482066 0.003874312 0.003023594 0.002812042 PC(20:1COOH_13:0)+H 0.000173216 9.54E-08 9.14E-05 0.000163447 0.000162717 0.000213508 0.000793645 0.001325982 0.000935035 0.001033569 0.001081037 0.001019276 1.26E-05 1.89E-05 7.42E-07 2.87E-05 7.83E-05 2.22E-09 TG(2:0_17:1_18:2)+NH4 0.002330376 0.002246984 0.001365153 0.001693757 0.002348274 0.001767126 0.000111194 0.000189627 0.000145069 0.000160586 0.000249692 0.000186328 0.000634976 0.000600747 0.000711791 0.000765566 0.000787235 0.000627013 Cer(t17:0_24:1)+H 0.339443039 0.347638111 0.218717197 0.272436754 0.316238335 0.309968048 0.045476754 0.051673871 0.046302973 0.038699639 0.055888077 0.037643945 0.108860543 0.114633505 0.12754196 0.135635628 0.129230952 0.109955898 Cer(d17:1_24:0)+H_1 0.01296652 0.013276994 0.00762068 0.010724929 0.010324319 0.01037962 0.00108344 0.001515535 0.001430396 0.001051877 0.001712287 0.000979158 0.004894763 0.004988393 0.005723758 0.00610163 0.005044876 0.004359949 AEA(16:1)+H 0.022879735 0.015563564 0.006127992 0.009486671 0.011855998 0.016266247 0.002670618 0.002528297 0.002348788 0.001615577 0.002203503 0.003110989 0.012371549 0.009815496 0.013774661 0.010682552 0.011103312 0.013627541 Cer(d17:1_21:0)+H 0.037625154 0.040439969 0.023006118 0.035607806 0.032757262 0.034925434 0.003106582 0.004942996 0.004701625 0.003440044 0.004021582 0.003594689 0.011079829 0.011204178 0.009858032 0.011717261 0.011509556 0.009275795 PC(17:1_18:3)+Na_1 0.017043488 0.019976387 0.013856184 0.015533709 0.019126353 0.019680169 0.002002093 0.004294979 0.002788073 0.002527821 0.003489893 0.002338571 0.009296967 0.010295934 0.010389429 0.009736937 0.011447672 0.00873187 TG(15:1_20:5_20:5)+Na 0.000404436 0.000769316 0.000397075 0.000594661 0.00048208 0.000477873 0.000100738 0.00024186 0.000135881 9.65E-05 9.87E-05 0.000111272 0.000507107 0.000509032 0.000497602 0.000502596 0.000588847 0.000471921 PC(18:0_20:3)+Na 0.002624769 0.004217531 0.002543341 0.00308038 0.002912823 0.003291029 0.000588917 0.000749024 0.000431989 0.000445513 0.000712294 0.000355044 0.001997699 0.002009576 0.002331431 0.002670707 0.002215971 0.002084677 TG(21:0_17:1_19:1)+NH4_1 0.002639838 0.0011579 0.001627085 0.002128663 0.002381624 0.001589189 0.022125615 0.021541841 0.025749314 0.016015955 0.016908742 0.019449469 0.000438489 0.000524336 0.000690047 0.000354773 0.000668557 0.00077426 DG(16:0_18:1)+NH4_1 0.015681521 0.012435872 0.005966283 0.010816068 0.012476707 0.012969344 0.001369641 0.001739622 0.001597174 0.001225145 0.001731815 0.001162726 0.004846904 0.004288146 0.005503783 0.004838638 0.003948151 0.004758209 Cer(d17:1_26:0)+H_1 0.002774663 0.002824687 0.001625208 0.002082967 0.002320144 0.002509954 0.000338116 0.000425449 0.000526596 0.000388439 0.00051474 0.000385894 0.001426785 0.001470548 0.001751658 0.001743049 0.001934447 0.001462276 DG(16:0_17:1)+NH4 0.002250314 0.002199981 0.000891646 0.001691573 0.002141288 0.002181031 0.000349892 0.000372597 0.000199104 0.000147199 0.000241385 0.000208386 0.000946155 0.000859308 0.00116313 0.001013658 0.000998391 0.001095643 TG(5:0_17:1_20:4)+NH4 0.00359627 0.003544946 0.001670288 0.002781539 0.002659073 0.00278191 8.42E-05 0.00016431 0.000133299 0.000112857 0.000203866 0.000157341 0.000794132 0.000842198 0.000959714 0.001163209 0.000920132 0.000809577 PC(18:1_20:3)+Na 0.01872188 0.02543244 0.017329972 0.01801031 0.02109547 0.017451257 0.005403804 0.008152201 0.006226674 0.005744834 0.008790531 0.005254465 0.016404134 0.015930775 0.01592671 0.017380569 0.017996829 0.015092881 TG(27:0_16:1_18:1)+NH4 0.024988476 0.027652291 0.019849562 0.020929376 0.028031963 0.020494287 0.00222716 0.003643681 0.00302378 0.002547872 0.003613719 0.002622618 0.007694168 0.009335653 0.008096962 0.009026149 0.009554412 0.007544952 DG(18:0_20:3)+NH4 0.006205892 0.0041529 0.00221779 0.003566103 0.003133955 0.004614724 0.000671476 0.000824741 0.000695091 0.000442884 0.000687328 0.000524306 0.00183279 0.001677021 0.002173812 0.001760527 0.001719118 0.001906252 TG(5:0_19:1_20:4)+NH4_1 0.001737639 0.002301897 0.001153435 0.001870565 0.002268134 0.001886464 0.000213253 0.000241129 0.000243969 0.000158367 0.000251092 0.000161688 0.000895747 0.001294341 0.000999188 0.001130254 0.001312783 0.001058214 PC(20:3_20:3)+Na 0.00468064 0.006151303 0.004413248 0.004422434 0.004687454 0.0040557 0.001499675 0.001393854 0.001288943 0.001200892 0.001604048 0.001039824 0.003886287 0.003128926 0.004093791 0.004017765 0.004473467 0.003896435 TG(5:0_15:0_17:0)+NH4 0.005351327 0.005374712 0.002428226 0.004765577 0.004593212 0.005253881 4.45E-05 0.000157559 0.000189115 9.72E-05 0.000194129 0.000109617 0.000945923 0.001172187 0.001227396 0.001442114 0.00122265 0.000961063 TG(5:0_15:0_18:1)+NH4 0.01976343 0.020434554 0.009903052 0.011671344 0.016733722 0.016606019 0.0002437 0.000729305 0.000625427 0.000463815 0.000679646 0.000502127 0.002938784 0.003400685 0.004055717 0.003843605 0.003630977 0.002717818 TG(18:2_20:5_20:5)+Na 0.002315183 0.003128664 0.001941453 0.001724778 0.00223815 0.002214085 0.00018963 0.000447772 0.000331273 0.000272984 0.000295152 0.000208454 0.000955728 0.001054346 0.001026903 0.000969626 0.001232316 0.000954801 TG(5:0_17:0_17:1)+NH4 0.035708573 0.033503779 0.016447541 0.028930108 0.027517892 0.027682713 0.001100066 0.00242652 0.001809341 0.001447148 0.002087898 0.001494405 0.007319719 0.008783318 0.010272181 0.009926829 0.010311094 0.00773051 TG(21:0_17:1_19:1)+NH4_2 0.002722447 0.0011579 0.001218168 0.002128663 0.002381624 0.001589189 0.012520166 0.021541841 0.015627213 0.016015955 0.016908742 0.019449469 0.000637663 0.000524336 0.000690047 0.000354773 0.000668557 0.000434545 DG(18:1_19:1)+NH4_1 0.033229162 0.028109757 0.01343781 0.023085819 0.024365886 0.026909356 0.004249285 0.006245377 0.004483535 0.004247957 0.004917897 0.003781127 0.009856795 0.009102875 0.010791194 0.010155404 0.0098186 0.010036356 DG(17:0_18:1)+NH4_1 0.003213755 0.002757668 0.001683306 0.002891346 0.002719056 0.003453269 0.000457812 0.000471095 0.000551517 0.000307992 0.000397094 0.000404429 0.001272611 0.000995223 0.001250269 0.001231815 0.001075416 0.001101748 TG(5:0_17:0_17:1)+Na 0.003603161 0.002066421 0.001141266 0.001847315 0.001897341 0.002007236 0.000153151 0.000288142 0.000217044 0.000191516 0.000247637 0.000171626 0.000737222 0.000817115 0.000953865 0.000789177 0.001006157 0.00075086 DG(16:0_20:4)+NH4_1 0.002038213 0.001504516 0.000618508 0.00134784 0.001179054 0.0015025 0.000338452 0.000361703 0.000275024 0.000187867 0.000202347 0.000240365 0.000954132 0.000765101 0.000970498 0.00082907 0.000802437 0.000984867 Cer(d17:1_20:0)+H 0.005878191 0.006085639 0.003110503 0.004497982 0.004907255 0.005087374 0.000527405 0.00086104 0.000863587 0.000686495 0.000896817 0.000713709 0.001803764 0.001778494 0.002017753 0.002142746 0.001983563 0.001690287 AcCa(18:3)+H 0.006645763 0.004361685 0.002971401 0.004204404 0.00477737 0.005933655 0.000444047 0.000398485 0.00039603 0.000249766 0.000390065 0.000181533 0.001336374 0.001857194 0.001972825 0.001575256 0.001588678 0.00152675 TG(20:5_20:5_20:5)+Na 0.002063023 0.003067085 0.001415397 0.001885333 0.002113006 0.002078985 0.000141949 0.000286351 0.000217697 0.000179171 0.000241498 0.000107709 0.000659513 0.000762396 0.000790322 0.000857222 0.000793382 0.0006325 TG(5:0_18:1_18:1)+Na 0.00309952 0.003900327 0.002630879 0.002851513 0.003383592 0.003288681 0.000157483 0.000419147 0.000350255 0.000327706 0.000407556 0.000327968 0.00094165 0.001020338 0.001030433 0.000954619 0.001121788 0.000864922 TG(5:0_17:1_18:2)+Na 0.001782821 0.002530457 0.001212197 0.00156901 0.001673005 0.002105403 7.11E-05 0.000309754 0.000179033 0.000138706 0.000247435 0.000146949 0.000677833 0.000760097 0.000781583 0.000776327 0.000818877 0.000635193 PC(14:0_20:5)+Na 0.015579393 0.020113552 0.011455046 0.015479751 0.015776426 0.016978485 0.000832673 0.001693174 0.001002397 0.000847183 0.001245543 0.000703467 0.005554991 0.005710508 0.006953941 0.007548667 0.007191222 0.005213152 PC(17:0_18:1)+Na_1 0.013111624 0.018016071 0.011389185 0.013424098 0.014846461 0.014066023 0.002908659 0.004421782 0.004123406 0.003352963 0.004780012 0.003363004 0.009095403 0.008646246 0.007908917 0.007618182 0.008376016 0.008497789 PC(20:4_18:0)+Na 0.004589658 0.005911509 0.003827639 0.004714581 0.004779873 0.004604933 0.000651934 0.000932955 0.000626736 0.000505213 0.000799608 0.000457402 0.002224101 0.002510484 0.002636736 0.003203799 0.002838789 0.002392262 TG(5:0_17:1_18:1)+NH4_1 0.0768704 0.076388077 0.039044688 0.063619811 0.062850341 0.073081296 0.001793512 0.004406201 0.003452295 0.003035984 0.004567482 0.0028377 0.01500077 0.017666688 0.021484749 0.021456621 0.020129668 0.015794765 PC(20:4_20:5)+Na_1 0.063568786 0.083354349 0.057501674 0.062576065 0.072279259 0.061261073 0.006960691 0.012802892 0.009354646 0.006130557 0.011341015 0.006267665 0.030856321 0.028835464 0.037875942 0.039135858 0.033605645 0.03172878 TG(5:0_20:4_20:4)+NH4 0.000934876 0.00111617 0.000397714 0.000793443 0.000818536 0.000966517 4.31E-08 7.58E-08 2.81E-08 3.18E-08 2.14E-05 3.80E-08 0.000251279 0.000232637 0.000279249 0.000358319 0.000259945 0.000209671 TG(5:0_18:2_18:3)+NH4_1 0.001956812 0.002171759 0.001094208 0.001337072 0.001407145 0.001523207 1.82E-05 0.000150826 9.99E-05 0.000142954 0.000197298 7.00E-05 0.000699628 0.000831841 0.000841621 0.000672642 0.000945294 0.000656703 Cer(d17:0_23:0)+H 0.011589232 0.013457657 0.006872885 0.010736135 0.010435139 0.010640759 0.000775025 0.001326783 0.001268979 0.000779893 0.00108992 0.000771288 0.00331354 0.002832186 0.003158758 0.003414942 0.003442785 0.002614076 DG(15:0_17:1)+NH4 0.006013324 0.005398356 0.002480778 0.004984574 0.005169381 0.004884643 0.000533985 0.000654097 0.000619996 0.000514389 0.000738915 0.00058841 0.002345041 0.001847105 0.002623787 0.002491121 0.002009711 0.001989293 TG(27:0_17:1_19:1)+NH4 0.012258972 0.010201925 0.006451578 0.01036764 0.012077278 0.010076697 0.000897632 0.00177696 0.001534587 0.001240561 0.001622451 0.001199656 0.004902907 0.005107308 0.005542547 0.005895774 0.006373942 0.004330912 TG(5:0_18:2_18:2)+NH4 0.007810517 0.007464446 0.003732114 0.00522763 0.005392867 0.006925314 9.84E-05 0.000412698 0.000282942 0.000256242 0.000373682 0.000166785 0.001615162 0.00210543 0.002067191 0.001512403 0.00193708 0.001482921 AcCa(18:2)+H 0.016312798 0.012342768 0.006438397 0.009901425 0.011128935 0.013787255 0.000799111 0.001080241 0.001160687 0.001020541 0.000845507 0.000815899 0.003394982 0.004799075 0.004451668 0.003741661 0.003453854 0.003623435 DG(19:0_20:5)+NH4 0.008849511 0.010082415 0.004504328 0.006771078 0.007751883 0.008278579 0.000438128 0.000919294 0.000878146 0.000508813 0.000528605 0.00053999 0.00216483 0.001698857 0.001991657 0.002119835 0.002152692 0.001890608 PC(20:3_20:4)+Na 0.007228251 0.009797249 0.00693363 0.007634305 0.008093071 0.006885903 0.001713812 0.002208093 0.001611063 0.001402978 0.002176329 0.001280221 0.00532682 0.004837914 0.004903625 0.006334881 0.005397078 0.004682709 TG(5:0_18:1_18:2)+Na 0.002500474 0.002577211 0.00167125 0.001783113 0.002173549 0.002241653 0.000238684 0.000329503 0.00016175 0.000149052 0.000181292 0.000192537 0.000665887 0.000830727 0.000752867 0.000678337 0.000850855 0.000657735 Co(Q8)+NH4_1 0.000954241 0.001219102 0.000851915 0.000920492 0.001161308 0.001269948 0.000250353 0.000486191 0.000332886 0.000443781 0.000410203 0.000327698 0.000833205 0.00084439 0.001002616 0.000873965 0.000920565 0.000894089 Cer(d17:1_26:1)+H_1 0.004073868 0.004496224 0.00265665 0.003668737 0.003796811 0.003599256 0.000884184 0.001081131 0.000846876 0.000700175 0.001157941 0.000680902 0.002512674 0.002714833 0.003228175 0.003227054 0.003139682 0.002463633 TG(5:0_16:1_18:1)+NH4 0.010756377 0.010546327 0.005054338 0.009671248 0.008999982 0.010302756 0.000170753 0.000808979 0.00056106 0.000371737 0.000848347 0.00062531 0.002322846 0.002436289 0.002869209 0.002845137 0.002340352 0.002130265 TG(5:0_16:0_20:5)+NH4 0.001858901 0.0018221 0.000783581 0.001478304 0.001310891 0.001744026 3.58E-05 0.000101401 7.90E-05 4.56E-05 7.53E-05 5.83E-05 0.000338921 0.000437542 0.000534004 0.000523348 0.000430739 0.000399906 DG(17:0_20:5)+NH4_1 0.027448784 0.02272439 0.009194632 0.014702614 0.017403336 0.019892388 0.002091333 0.003173887 0.002937714 0.002066873 0.002388131 0.002101249 0.00786849 0.006591853 0.007916782 0.006653527 0.005848085 0.007346938 TG(15:1_20:5_20:5)+NH4 0.015861014 0.019154436 0.010642733 0.013882391 0.015841988 0.015921543 0.001023229 0.002136744 0.001716023 0.00105264 0.001686732 0.000973579 0.006578052 0.008631427 0.009693922 0.008295555 0.008940081 0.00648721 Cer(d17:1_22:0)+H_1 0.198782764 0.195732077 0.118569919 0.154103199 0.160523303 0.166382236 0.016617701 0.02854769 0.026453358 0.020176806 0.028832564 0.019228278 0.057555126 0.060400233 0.067064824 0.064918354 0.054313867 0.053978211 DG(22:0_18:2)+NH4 0.001485755 0.00144959 0.00061019 0.000787855 0.00105887 0.001021338 3.18E-05 0.000124382 8.86E-05 7.47E-05 6.26E-05 6.48E-05 0.000255914 0.000318747 0.000370873 0.000307811 0.000317219 0.000287487 AcCa(17:1)+H 0.038833265 0.034177823 0.01846248 0.0304723 0.028666746 0.034281109 0.005444827 0.004620524 0.003890663 0.003407089 0.004668426 0.003118751 0.011062778 0.012629877 0.013217162 0.013331131 0.011729013 0.009826673 PC(20:5_19:3)+H 0.010368839 0.016533393 0.0067784 0.008571293 0.011659689 0.012342174 0.002688247 0.003328952 0.003000141 0.002178865 0.002625667 0.001916176 0.010274755 0.009189191 0.008022263 0.010089436 0.011714218 0.008375621 TG(27:0_17:1_18:3)+NH4 0.006193526 0.009114456 0.003625993 0.005382516 0.008566004 0.004751878 0.000299018 0.000639264 0.000566639 0.000402267 0.000571257 0.000381363 0.00152438 0.001590591 0.001597153 0.00191271 0.001765292 0.001333855 DG(17:1_19:1)+NH4 0.013979872 0.01232999 0.005607025 0.010175254 0.010789892 0.011319348 0.002324991 0.002622524 0.002311542 0.002190641 0.002275333 0.001536591 0.004461354 0.004334755 0.00532392 0.005291268 0.004666864 0.004947133 DG(16:1_17:1)+NH4 0.00341019 0.003434804 0.001515582 0.002271324 0.002467472 0.002614094 0.000564677 0.000942798 0.00062568 0.000603843 0.000755969 0.000685313 0.001869451 0.001772788 0.002144199 0.002086045 0.001582082 0.001825529 DG(15:1_18:2)+NH4 0.002264888 0.001890115 0.000713283 0.001167325 0.001521084 0.001506755 0.00018014 0.000309953 0.000250636 0.000157679 0.000218034 0.000179731 0.001108978 0.000804989 0.001227379 0.000898294 0.000926096 0.001079806 TG(27:0_17:1_18:1)+NH4 0.042320733 0.035287072 0.021257287 0.027676948 0.027423003 0.028112679 0.00180521 0.004486763 0.002113667 0.002979739 0.002288306 0.003050522 0.011860495 0.010880997 0.014400177 0.015517909 0.013902711 0.011139702 TG(14:0_20:5_20:5)+Na 0.001146482 0.001934639 0.000997916 0.000958608 0.001241903 0.001285608 0.000102596 0.000192944 0.000167962 9.37E-05 0.0001474 0.000123221 0.000373393 0.00042329 0.000384798 0.000471421 0.000478748 0.000390677 DG(19:1_20:2)+NH4 0.004952453 0.004217764 0.001430251 0.001996627 0.00328505 0.003855667 0.000287155 0.000317036 0.000341092 0.000293382 0.000343738 0.0002095 0.000831377 0.000757391 0.000878139 0.000661088 0.00068014 0.000814053 PA(20:5_18:1)+NH4 0.001616364 0.001536359 0.00079663 0.00115869 0.001493524 0.001068753 0.000120452 0.000123021 0.000124077 0.00010503 0.000132808 0.000130904 0.000430922 0.000428322 0.000373697 0.000416653 0.000502427 0.000566072 PC(24:2_12:1COOH)+H 0.000169386 6.33E-05 0.000135289 0.000158934 0.000176463 0.000117457 0.000574241 0.000933699 0.000773964 0.000674826 0.000940933 0.000630745 2.96E-10 2.58E-05 4.40E-05 2.72E-05 4.73E-07 1.61E-10 DG(15:0_17:0)+NH4 0.017468666 0.018564141 0.009030385 0.014048046 0.016365789 0.014715689 0.000550583 0.000584666 0.000605737 0.000578766 0.000819105 0.000446781 0.002900382 0.002678484 0.003647174 0.004084944 0.003349068 0.002804058 DG(18:1_19:1)+NH4_2 0.006117538 0.004803149 0.002784785 0.004718021 0.004959881 0.005828488 0.000505563 0.000812629 0.00068916 0.000593028 0.000595621 0.000592791 0.001282251 0.001710204 0.001799648 0.001669203 0.001560657 0.001611188 TG(20:5_20:5_20:5)+NH4 0.042408514 0.049359549 0.02097982 0.033877651 0.032851717 0.036741327 0.001221429 0.002199271 0.001985486 0.000999081 0.002030042 0.001004362 0.00680535 0.008514489 0.009769413 0.00993559 0.008419909 0.006897609 TG(20:4_20:5_20:5)+NH4_1 0.020631757 0.024529922 0.010570356 0.016805941 0.015942262 0.0194743 0.000673611 0.001132367 0.001135213 0.00052354 0.001229475 0.00055228 0.003502049 0.005154361 0.005003109 0.005204861 0.004711364 0.003860865 TG(5:0_17:1_18:3)+NH4 0.003774572 0.006380988 0.001858066 0.002903182 0.00471733 0.003782564 0.000116448 0.000283452 0.000170565 0.000181647 0.000236088 0.000183054 0.001107668 0.001150613 0.001236794 0.001637862 0.001419932 0.001670126 TG(O-14:0_18:1_3:0)+NH4 0.003261047 0.002796158 0.001541316 0.002946436 0.002707554 0.003177273 0.000450463 0.0004836 0.000555677 0.000294524 0.000382639 0.000407101 0.001314892 0.00092613 0.001176114 0.001241318 0.001163907 0.001178679 Hex1Cer(d17:1_22:0)+H 0.004137128 0.003600297 0.002207026 0.002557494 0.003001212 0.003102515 0.000300252 0.000767693 0.000709872 0.000544911 0.000701779 0.000526621 0.001906907 0.001956452 0.002163261 0.001735488 0.002039741 0.001548533 TG(22:0_18:1_19:1)+NH4_1 0.085375547 0.085109207 0.066077902 0.082724691 0.094245847 0.074628845 0.006620259 0.013443511 0.01092608 0.008698717 0.011548656 0.00822293 0.026123432 0.031060426 0.032280971 0.032715778 0.032926083 0.025009462 DG(18:1_18:2)+NH4_1 0.043946712 0.036011975 0.016116588 0.022572164 0.026564083 0.031990513 0.002653111 0.004915073 0.00321579 0.003484555 0.003975712 0.003429955 0.012424384 0.012088416 0.013806393 0.009655946 0.010240402 0.012942883 Cer(d17:1_24:0)+H_2 0.066276115 0.062931187 0.039803476 0.054939288 0.053963077 0.057191469 0.004114471 0.006881064 0.00547978 0.00437224 0.006832146 0.003982842 0.018808295 0.019819616 0.022666334 0.026301131 0.021514237 0.017526035 PC(19:1_20:3)+Na 0.014684335 0.017404704 0.010475596 0.013590191 0.015021918 0.014111856 0.005276389 0.005875296 0.00391698 0.003686927 0.005002745 0.003526531 0.009937557 0.010627743 0.010494852 0.011920386 0.012671454 0.010746521 DG(18:1_18:1)+NH4_1 0.067941242 0.054915576 0.027800247 0.044686661 0.049720833 0.05495584 0.003972692 0.008352715 0.006816767 0.005803647 0.007682494 0.005860017 0.020908272 0.01802098 0.021390212 0.017159319 0.015806124 0.019419347 PC(18:1_20:4)+Na_1 0.035390163 0.050226239 0.0393193 0.037781793 0.046952154 0.035987966 0.005584391 0.012952212 0.012317094 0.007675784 0.015799446 0.006636148 0.030001819 0.029693063 0.030831153 0.030745298 0.027786594 0.029257222 Cer(d17:1_22:1)+H_2 0.193939504 0.189552578 0.124871765 0.154001649 0.157278602 0.162196581 0.026723808 0.039892126 0.035272832 0.029516709 0.041405853 0.027600932 0.065305132 0.069177134 0.071160034 0.07087425 0.075241282 0.062871878 Cer(d17:1_24:1)+H_2 0.111508809 0.111472078 0.071200813 0.088871364 0.099846721 0.097044547 0.014508803 0.017169826 0.015159384 0.012476933 0.01962276 0.011885824 0.034340596 0.033844004 0.041357689 0.041794974 0.041313713 0.034428098 TG(2:0_15:0_17:1)+NH4 0.001669554 0.001319296 0.000666642 0.001441279 0.001576472 0.001483849 9.89E-05 0.000189372 0.000143165 0.000108753 0.000189161 0.000110429 0.000506683 0.000546853 0.000698642 0.000703741 0.000682109 0.000523101 TG(18:2_20:5_20:5)+NH4 0.057358858 0.06416045 0.032312609 0.043194916 0.046628632 0.051858559 0.002114188 0.003918873 0.003672355 0.002387375 0.002907392 0.002285171 0.010567422 0.014697713 0.014937417 0.014033522 0.013971778 0.010275233 Cer(d17:1_26:0)+H_2 0.008639132 0.008509149 0.004909408 0.006983363 0.006495137 0.007214121 0.000609263 0.000961457 0.000919936 0.00050333 0.00096086 0.000500728 0.002233449 0.002736085 0.00276512 0.003011799 0.002558536 0.002158313 TG(27:0_18:1_19:1)+NH4 0.00806121 0.006885237 0.005625712 0.008853919 0.01100595 0.006294082 0.000638976 0.001417177 0.001320597 0.000933823 0.001456093 0.00088568 0.003357828 0.003951671 0.004342206 0.00483551 0.004103843 0.00351688 Co(Q8)+NH4_2 0.06093456 0.075163699 0.027686421 0.044053051 0.051757855 0.063901009 0.003175946 0.013736088 0.00927083 0.007926679 0.009558712 0.0063348 0.034084055 0.049961092 0.055891197 0.052671789 0.047436205 0.043204908 LPC(18:2)+Na 0.012336325 0.007141389 0.004373545 0.007490681 0.007634582 0.008888019 0.000929003 0.001731626 0.001212294 0.001126768 0.00166709 0.001055795 0.003851795 0.004463532 0.005049981 0.003940193 0.005017763 0.003767315 DG(17:1_18:1)+NH4_1 0.046534336 0.039713562 0.018081933 0.030865162 0.036290004 0.034258348 0.003759359 0.005911117 0.004782043 0.003984824 0.005123343 0.00403007 0.014300275 0.012487838 0.017421164 0.0137598 0.012225355 0.013396163 DG(19:1_18:3)+NH4_1 0.007146302 0.005660625 0.002452593 0.004086438 0.004453765 0.005097295 0.000808164 0.001318207 0.000815133 0.000757058 0.000833751 0.000779013 0.002453555 0.002088466 0.002533951 0.002213431 0.001993972 0.00246355 TG(27:0_18:1_20:2)+NH4 0.003491599 0.00427644 0.001987377 0.00286865 0.002747993 0.003509354 0.00012908 0.000294802 0.000286009 0.000236978 0.000435883 0.000182993 0.000997591 0.00113379 0.00124693 0.001037988 0.001271849 0.000885008 TG(5:0_16:1_18:2)+NH4 0.002524554 0.002737862 0.001347878 0.002020121 0.002293014 0.002601855 0.000153 0.000214514 0.00013842 0.000147721 0.000225683 0.000111134 0.000754725 0.000848543 0.00100918 0.00092029 0.001034115 0.000651355 TG(5:0_15:0_15:0)+NH4 0.00308431 0.002893625 0.00142529 0.002538133 0.002771537 0.003084196 3.38E-05 0.000118177 0.000160389 7.15E-05 0.000166391 7.46E-05 0.000695701 0.000703466 0.000995965 0.000918985 0.000812225 0.000628988 PC(27:5_11:0COOH)+H 0.013425988 0.004096883 0.010714802 0.011545099 0.009402103 0.008240429 0.001306636 0.002694427 0.001916784 0.001947042 0.002553432 0.001655515 0.008161529 0.008638776 0.00811666 0.008173973 0.008211254 0.005447979 AEA(15:1)+H_1 0.114462893 0.089527429 0.03468652 0.065890814 0.068714202 0.080339924 0.026695441 0.019561783 0.015676265 0.01228194 0.014323331 0.018873668 0.046907655 0.041732718 0.051641451 0.046618921 0.043676196 0.051014005 TG(5:0_18:1_18:3)+NH4 0.005286267 0.005370523 0.002464989 0.004123223 0.004545326 0.004592145 5.07E-05 0.000291333 0.000263272 0.000189732 0.000341565 0.000242601 0.001250385 0.001369064 0.001837325 0.001466535 0.001417335 0.00112878 DG(18:1_18:1)+H 0.001951777 0.00134206 0.00079854 0.001289738 0.001155842 0.001332847 0.000102774 0.000209094 0.000198435 0.000169871 0.000237346 0.00011044 0.000487504 0.000481794 0.000551974 0.00043283 0.000443465 0.000489739 TG(O-7:0_11:1_18:1)+H 0.001809528 0.001406155 0.000788282 0.001341608 0.001165736 0.001332751 0.000102611 0.00014451 0.00019935 0.000169433 0.000237302 8.53E-05 0.000507881 0.000480178 0.000551507 0.000430015 0.000441062 0.000487652 DG(19:1_20:4)+NH4_1 0.010117898 0.008933118 0.003612786 0.006064929 0.006491921 0.007644444 0.00153611 0.001719386 0.001134346 0.001062627 0.001298989 0.001006823 0.003286172 0.00298282 0.003900944 0.00301955 0.003101284 0.00340999 TG(2:0_18:1_18:2)+NH4 0.005948866 0.005628889 0.002721522 0.004172016 0.004261294 0.004855817 0.000163723 0.000612992 0.000352325 0.000340687 0.000440384 0.000316542 0.001432234 0.001944554 0.001967186 0.001906189 0.002441883 0.002003158 BisMePE(18:1_18:2)+H 0.036717453 0.036347111 0.024420881 0.03019778 0.036997469 0.032765864 0.000853779 0.002330911 0.001625671 0.001399561 0.002469394 0.001360831 0.006762114 0.00551823 0.00761355 0.008499608 0.007043781 0.006458874 TG(18:1_18:1_18:1)+NH4_1 0.000681923 0.000690244 0.000346089 0.000496329 0.00057496 0.000608181 6.35E-05 0.000120096 8.77E-05 6.70E-05 0.000116451 8.90E-05 0.000227909 0.000243241 0.000259679 0.000210172 0.000234291 0.000205662 TG(17:0_22:0_17:1)+NH4 0.078824011 0.084657392 0.053396068 0.081195576 0.086866596 0.073818045 0.008608348 0.01379771 0.013403596 0.01054772 0.013596338 0.009999209 0.028791959 0.034137147 0.034315441 0.033573546 0.039388478 0.027604049 DG(18:0_18:1)+NH4 0.015916619 0.013702207 0.006723148 0.012158509 0.012665057 0.013553084 0.002014605 0.003162427 0.002105616 0.001625847 0.002522267 0.001995669 0.00534898 0.005056073 0.00589987 0.006125038 0.004924672 0.0052017 DG(17:0_18:2)+NH4_1 0.01052804 0.010781293 0.004241608 0.006590817 0.007624842 0.010184793 0.00074524 0.001067972 0.000864898 0.000641457 0.000797811 0.000691737 0.003016815 0.002558069 0.003281226 0.002393425 0.002275818 0.002482659 DG(17:0_18:2)+NH4_2 0.01052804 0.010781293 0.004241608 0.006590817 0.007624842 0.010184793 0.00074524 0.001067972 0.000864898 0.000641457 0.000797811 0.000691737 0.003016815 0.002558069 0.003281226 0.002393425 0.002275818 0.002482659 TG(15:0_18:0CHO_18:2)+NH4 0.009291143 0.006348247 0.00527457 0.009346786 0.010451427 0.007169668 0.00022562 0.000476191 0.000528576 0.000457285 0.00072207 0.000394455 0.001778728 0.001550226 0.002021949 0.001957548 0.001959706 0.001414981 Cer(d17:0_24:0)+H_1 0.003298362 0.003557248 0.001765566 0.002966365 0.002776772 0.002950061 0.000235984 0.000365876 0.000311143 0.000244903 0.000360348 0.000241138 0.00114319 0.000911794 0.001266528 0.001216657 0.001136371 0.000846905 TG(5:0_19:1_20:4)+NH4_2 0.004229834 0.004058781 0.001677795 0.003025289 0.002831237 0.003284763 0.000285525 0.000402468 0.000261744 0.000327626 0.000331757 0.000272211 0.000772793 0.001087037 0.001052869 0.001206543 0.001172027 0.000973073 Co(Q8)+H 0.005128152 0.00677525 0.002412259 0.003558639 0.004394006 0.005135499 0.000255298 0.001064533 0.000817832 0.000584831 0.000801022 0.000575771 0.002814201 0.004125659 0.004692257 0.004326001 0.004389324 0.003493694 TG(22:0_18:1_19:1)+Na 0.001499074 0.002011018 0.001461385 0.001473483 0.00200991 0.001637691 0.000492506 0.000650381 0.000475124 0.000484671 0.00057276 0.000484635 0.000891457 0.000891633 0.000914153 0.00096335 0.000992921 0.000844332 PC(18:1_20:4)+Na_2 0.008890135 0.013022652 0.013195666 0.010056864 0.011720501 0.008275367 0.005818803 0.008232358 0.006593065 0.006914008 0.008303587 0.00617141 0.014435606 0.012381871 0.012707665 0.012417959 0.013335853 0.01220228 TG(5:0_15:0_17:1)+NH4_1 0.028030635 0.027706995 0.013526625 0.021682587 0.023243105 0.023121907 0.00089706 0.001880087 0.001648157 0.001331358 0.001925015 0.001264285 0.006787256 0.008057912 0.009487016 0.010753522 0.008467528 0.006919466 TG(13:1_20:5_20:5)+NH4 0.004896734 0.0057355 0.002668977 0.003202514 0.003780943 0.004539389 0.00021168 0.000419064 0.000302425 0.000201723 0.000300198 0.000188089 0.001149489 0.001624612 0.001717153 0.001464635 0.001758811 0.001195463 PC(18:1_20:2)+Na 0.011011583 0.013985134 0.009316558 0.0082911 0.010776434 0.009832445 0.001257103 0.002552536 0.001685627 0.001809079 0.00233175 0.001589956 0.005727576 0.006771575 0.006212451 0.004595929 0.005757596 0.005347821 TG(14:0_15:1_17:1)+NH4 0.102856567 0.115237831 0.070343688 0.085822808 0.108870243 0.09776285 0.022218754 0.029624305 0.02218022 0.019601678 0.025688413 0.019680343 0.058134902 0.066138029 0.056224804 0.068079292 0.07910445 0.058657156 TG(5:0_17:0_18:1)+NH4_1 0.026502796 0.027579212 0.013015156 0.022422041 0.024426033 0.023917163 0.000531148 0.001170021 0.001059923 0.000823822 0.001088889 0.000716399 0.005221092 0.004733025 0.005412844 0.006669161 0.005321734 0.003752102 PC(19:1_19:1)+Na_1 0.002480552 0.002646213 0.002301951 0.002566752 0.002828898 0.002434602 0.001109389 0.000912764 0.00064727 0.000849769 0.000971135 0.000699566 0.002657754 0.002326685 0.002087787 0.002065102 0.002521353 0.001977123 PC(17:0_18:1)+Na_2 0.006243378 0.007549462 0.005066142 0.006155965 0.006918021 0.006616702 0.001723124 0.001884109 0.00158769 0.001241125 0.001288651 0.001925966 0.003859757 0.003444828 0.003381381 0.003474495 0.004083269 0.003144672 DG(18:0_17:1)+NH4 0.003127038 0.002788906 0.001244019 0.002166751 0.002241083 0.002431083 0.000417183 0.000518019 0.000405131 0.000391769 0.000352026 0.000330978 0.001062733 0.000909089 0.001360314 0.001140502 0.001090099 0.001050431 AcCa(20:3)+H 0.003743842 0.00304812 0.001590179 0.002509531 0.002555066 0.003111259 0.000175099 0.000188861 0.000239138 0.000236842 0.000158423 0.000149331 0.000866601 0.001146447 0.000937502 0.001092606 0.000721078 0.000797878 DG(16:0_18:2)+NH4_1 0.014151203 0.012164188 0.003489241 0.000801443 0.01004638 0.005049231 0.000859528 0.000950212 0.000679652 0.000515712 0.000670362 0.000716049 0.003298272 0.002400795 0.00323743 0.00248405 0.002617355 0.00229258 DG(22:0_20:5)+NH4 0.001913032 0.002160522 0.000756483 0.001293735 0.001412283 0.001665127 0.000140141 7.01E-05 4.97E-05 5.10E-05 2.23E-05 0.000374142 0.000407055 0.000431351 0.000351421 0.000312804 0.00042122 PC(20:3_20:5)+Na 0.039189242 0.057582223 0.04612522 0.043868901 0.052879588 0.041962093 0.004219544 0.015433431 0.010945691 0.001665692 0.013652376 0.007921098 0.031878537 0.031869162 0.033072546 0.036578154 0.036054124 0.032560682 DG(18:1_20:4)+NH4_1 0.017068386 0.013924837 0.005911749 0.009516966 0.01026748 0.012282832 0.0017316 0.002669601 0.001900441 0.00162517 0.002161537 0.00166274 0.00755288 0.006220657 0.008166777 0.005788442 0.005533605 0.007105959 TG(26:0_17:1_18:1)+Na 0.001023328 0.001345692 0.00078553 0.000971787 0.00124553 0.001019384 0.000199821 0.000268041 0.000259001 0.000189962 0.000286479 0.000212406 0.000603326 0.000539024 0.000631379 0.000658534 0.000729919 0.000515866 TG(21:0_17:1_19:1)+NH4_3 0.002417152 0.002743353 0.00103532 0.001272938 0.001523075 0.000729485 0.021480006 0.042642127 0.038301486 0.031701164 0.037812741 0.028202539 0.000161945 0.000681147 0.000843368 0.000336261 0.000513517 0.000223558 AcCa(18:1)+H_1 0.057629703 0.039917548 0.023516085 0.037099099 0.0371401 0.042801352 0.002645498 0.0047134 0.003814298 0.003098848 0.003956956 0.002881906 0.012685061 0.013920787 0.016536136 0.014265372 0.0107886 0.011113235 TG(5:0_17:1_18:1)+NH4_2 0.017633841 0.0204469 0.009823969 0.018739918 0.013333864 0.016798772 0.000523479 0.00114976 0.000944769 0.000835632 0.00106661 0.000734137 0.002872153 0.00334533 0.003889455 0.003479439 0.003502147 0.002442009 TG(16:0_18:0_18:1)+NH4 0.14870518 0.210291318 0.135685399 0.159805807 0.19202308 0.15345025 0.059262424 0.07239791 0.071711887 0.056646875 0.073841086 0.065056942 0.107677329 0.112501004 0.117654202 0.120241824 0.131530273 0.106884055 DG(17:0_20:5)+NH4_2 0.014719551 0.01685292 0.007429443 0.012261358 0.014039084 0.013962136 0.001298277 0.002179568 0.001821835 0.001012476 0.001162397 0.001268549 0.005465927 0.003672757 0.004816169 0.00511479 0.004639581 0.004374373 Cer(d17:1_26:1)+H_2 0.014516032 0.015585891 0.009830218 0.012635884 0.013511797 0.012643258 0.001606355 0.001931756 0.001660015 0.001399794 0.002079905 0.001211964 0.003918133 0.004339843 0.005572998 0.005227608 0.004872942 0.004167079 TG(27:0_18:1_20:1)+NH4 0.00483771 0.005854579 0.003290413 0.003694891 0.006924316 0.004112388 0.000305404 0.000604225 0.000528726 0.000421827 0.000645444 0.0004925 0.001531602 0.00175806 0.002113458 0.002208808 0.002353439 0.001724463 TG(20:3_20:5_20:5)+Na 0.000560758 0.001360058 0.00061371 0.000602857 0.000750994 0.000538181 6.45E-05 0.000136901 0.000122848 4.30E-05 0.000108538 7.64E-05 0.000352846 0.000378924 0.000352125 0.00036671 0.000273048 0.000283034 TG(5:0_15:0_20:5)+NH4_1 0.005104635 0.005250122 0.002342011 0.003753119 0.00403066 0.004356239 7.11E-05 0.000258996 7.75E-05 7.87E-05 0.000119538 0.000124295 0.001120902 0.001380837 0.001596019 0.001754245 0.001802208 0.001087236 TG(5:0_15:0_20:5)+NH4_2 0.005104635 0.005250122 0.002342011 0.003753119 0.00403066 0.004356239 7.11E-05 0.000258996 7.75E-05 7.87E-05 0.000119538 0.000124295 0.001120902 0.001380837 0.001596019 0.001754245 0.001802208 0.001087236 PC(17:2_20:5)+Na 0.006736619 0.009108851 0.006061958 0.007940931 0.009924088 0.007927394 0.000945319 0.002060253 0.001220173 0.000798255 0.001033818 0.000958039 0.005743816 0.005337037 0.00403448 0.005040686 0.005986766 0.004158723 TG(22:0_19:1_18:2)+NH4 0.067611338 0.07516931 0.049289031 0.055985268 0.070582338 0.053254173 0.006128959 0.011496212 0.009588111 0.008020876 0.010036528 0.005090412 0.027323949 0.024240264 0.031082875 0.034909516 0.024238971 0.028860354 TG(17:1_17:1_17:1CHO)+NH4 0.006504265 0.005465817 0.002208766 0.003460607 0.0042135 0.003667365 0.00018829 0.000274865 0.000231797 0.000221193 0.000298674 0.000153973 0.000613275 0.000814273 0.000836794 0.000940783 0.000805782 0.000661284 PC(21:1COOH_17:2)+H 0.002702978 0.000590976 0.002606378 0.002541538 0.002019664 0.001395579 0.000366656 0.00064871 0.000505218 0.000589115 0.000889094 0.000468935 0.003077627 0.002800339 0.002571825 0.002823391 0.003937597 0.002430845 TG(15:0_16:0_18:1CHO)+NH4 0.005300757 0.005626261 0.002709884 0.005146428 0.005206863 0.005099767 0.000146316 0.000300539 0.000268544 0.000136776 0.000347595 0.000162006 0.001074135 0.000918873 0.001394997 0.00131641 0.001450247 0.001046265 TG(5:0_18:1_20:3)+NH4 0.00857941 0.008635362 0.004212136 0.007113596 0.007008904 0.007640855 0.000587356 0.00076949 0.000486661 0.000364937 0.000419688 0.00053609 0.001488431 0.001855658 0.00208857 0.002111392 0.002013718 0.00150847 Cer(d17:0_26:0)+H 0.00647898 0.006334636 0.003972573 0.004885755 0.005186733 0.005456862 0.000358305 0.000529309 0.000589921 0.000397009 0.000628871 0.000324656 0.001374882 0.001536286 0.001695817 0.002014269 0.001821761 0.001396939 TG(20:4_20:5_20:5)+Na 0.000922032 0.001414008 0.000786434 0.000787979 0.000876364 0.000979624 7.87E-05 0.000133172 0.000119669 7.74E-05 0.000158521 4.14E-05 0.000292957 0.000357169 0.000400749 0.000381278 0.000368155 0.000307863 TG(5:0_16:0_17:0)+NH4 6.39E-05 0.000209799 0.00120752 4.06E-07 0.000167621 5.12E-07 0.000169829 0.000277543 0.00024746 0.000222422 0.000219097 0.000258897 0.000545324 0.000562237 0.000693114 0.000600617 0.000623486 0.000470171 TG(26:0_19:1_20:3)+NH4 0.002430278 0.00215517 0.001249137 0.001957489 0.003353589 0.00216451 7.50E-05 0.000252275 0.000216881 0.000183803 0.000259617 0.000210651 0.000699325 0.000751179 0.000800237 0.000735842 0.000681072 0.000511046 TG(12:0_14:0_17:1)+NH4_1 0.019604136 0.020517606 0.009210493 0.017404575 0.023347053 0.017883155 0.001095659 0.002182628 0.001727774 0.001123785 0.001752445 0.001317482 0.005771898 0.006347445 0.008014482 0.008923842 0.009157885 0.006939543 TG(16:0_17:0_22:0)+NH4 0.006843942 0.005910704 0.004226653 0.007202537 0.007836117 0.006190459 0.000635038 0.000975533 0.000989598 0.000672973 0.000948341 0.000842132 0.002380418 0.002270143 0.002124397 0.002592462 0.003114579 0.002248477 AEA(16:2)+H 0.014566824 0.012000527 0.004840394 0.007405366 0.008332251 0.01079944 0.002292416 0.002854061 0.002467224 0.002157555 0.002414567 0.00270393 0.005292017 0.005093705 0.006404875 0.005009495 0.004662289 0.004884532 BisMePE(17:1_18:2)+H 0.016140166 0.015895052 0.012157557 0.012978264 0.016340737 0.013819143 0.000209618 0.001652756 0.001313469 0.001311499 0.001517737 0.001034299 0.004491141 0.003710396 0.004380758 0.005607705 0.005038375 0.004333282 PC(20:1_20:5)+Na 0.003267941 0.005119406 0.003313645 0.003343271 0.003793086 0.003164871 0.000230375 0.000702648 0.000564151 0.000395142 0.000614633 0.000406527 0.001415505 0.001616204 0.001528704 0.001623267 0.00130678 0.001240623 PC(18:1_18:1)+Na_1 0.041930064 0.053234306 0.06056951 0.058064795 0.069411356 0.04112925 0.017432475 0.028822611 0.02217854 0.023120037 0.028758029 0.022582766 0.045184253 0.04321935 0.043948777 0.043489468 0.048130167 0.041044356 TG(5:0_18:1_18:2)+NH4_1 0.030147075 0.03064453 0.016365514 0.023297686 0.023658125 0.026144775 0.0014478 0.001619386 0.001198443 0.001024929 0.002553778 0.001691788 0.005033852 0.006891736 0.006913714 0.005343691 0.0067482 0.005099092 DG(17:1_18:3)+NH4_1 0.005468891 0.00425253 0.002152001 0.002890396 0.00453537 0.003819489 0.000648595 0.000947993 0.000712751 0.000590141 0.000671182 0.000762266 0.002949432 0.002284088 0.00285907 0.002009656 0.002100121 0.002800119 TG(18:1_18:1CHO_18:2)+NH4 0.009079868 0.009608453 0.004467477 0.009484781 0.006647344 0.006768461 0.000275248 0.000606869 0.000701783 0.000435817 0.000689861 0.00023532 0.001481238 0.001360323 0.00159419 0.001531263 0.001717921 0.001355418 TG(20:4_20:4_20:5)+NH4 0.006359425 0.006571582 0.002966618 0.004542829 0.004330618 0.00516389 0.00018477 0.000349234 0.000371914 0.000134483 0.000366789 0.000162952 0.001038834 0.001364505 0.001446637 0.001532459 0.001338826 0.000978371 TG(5:0_16:0_17:1)+NH4 0.009701733 0.010182308 0.005019035 0.008597227 0.008193571 0.007598761 0.000558131 0.000903837 0.000660732 0.000601808 0.001018797 0.000622909 0.002410927 0.002678883 0.003622119 0.003198331 0.003149165 0.002357352 TG(17:1_18:2_20:5)+NH4_1 0.274132685 0.298852547 0.180675949 0.227965472 0.303312431 0.244335667 0.020017901 0.038104338 0.035272871 0.026357962 0.034928013 0.022859453 0.067414121 0.077790095 0.082498492 0.088933912 0.083583881 0.066194628 TG(17:0_27:0_17:1)+NH4 0.009308275 0.008501523 0.005300611 0.008123614 0.008237835 0.007875273 0.000355543 0.00111228 0.000619587 0.000733654 0.00064346 0.000866295 0.002720655 0.002686583 0.002909952 0.003285803 0.003653673 0.002294902 BisMePE(16:0_18:2)+H 0.008688663 0.007748156 0.005459348 0.007315217 0.009292951 0.007543128 0.000138721 0.000716012 0.000226287 0.000462966 0.000425937 0.000148347 0.001995432 0.001511441 0.002481875 0.002434612 0.002111541 0.001889859 DG(18:0_20:5)+NH4 0.18463212 0.168175046 0.076781103 0.124214975 0.144225278 0.14860644 0.011117347 0.022323948 0.016834957 0.013909915 0.018892774 0.011866358 0.042986835 0.043547136 0.060188534 0.053087582 0.045246696 0.045361335 TG(14:1_20:5_20:5)+NH4 0.008007102 0.009252085 0.004022106 0.006108597 0.00689361 0.007150978 0.000380862 0.001046576 0.000882117 0.000519833 0.00085264 0.000699211 0.002369431 0.002567935 0.003360537 0.003006947 0.002941982 0.002210224 TG(5:0_19:1_20:5)+NH4 0.007994512 0.008391331 0.004063293 0.006060622 0.005742294 0.007859058 0.000312393 0.000691004 0.000488575 0.000347893 0.000579686 0.000433237 0.001626117 0.002544633 0.00230565 0.002698881 0.00255654 0.001897138 TG(5:0_18:0_18:1)+NH4_1 0.023157218 0.020499493 0.010853429 0.017008096 0.016593441 0.014744382 0.000801202 0.00175227 0.001485416 0.001163266 0.001574029 0.001005776 0.004298587 0.004581098 0.006073635 0.006078646 0.005745828 0.004226997 PE(20:3_20:5)+H 0.022934872 0.025743897 0.014993824 0.017764144 0.022903052 0.020585847 0.002067782 0.005016301 0.002927526 0.002658856 0.004064995 0.002386944 0.008440108 0.009151498 0.011463665 0.011747331 0.010839966 0.009621591 PC(18:1_20:0CHO)+H_1 0.000251101 0.00055913 0.000765991 0.00065759 0.000783167 0.000551146 0.0001235 0.000205744 0.000216634 0.000184547 0.000230439 0.000194148 0.000851181 0.000578064 0.000623906 0.000623747 0.000600386 0.00056992 TG(29:0_18:1_19:1)+NH4 0.001359643 0.001192452 0.000972672 0.00103004 0.001893213 0.001450303 0.000131562 0.000336496 0.000305899 0.000230835 0.000299205 0.000236016 0.000897657 0.0011288 0.001147194 0.001091975 0.001354837 0.000825024 PE(P-18:0_20:2)+H 0.030793608 0.038017678 0.024093365 0.025967021 0.036615435 0.027419505 0.005960804 0.007780419 0.005426079 0.005919092 0.006436657 0.00523128 0.011579464 0.013596726 0.01430655 0.014079175 0.014413369 0.010972892 TG(5:0_19:0_18:1)+NH4 0.008547833 0.008430357 0.004538984 0.008698132 0.007323814 0.006697242 0.000131555 0.000444891 0.00041897 0.000311583 0.00047058 0.000278363 0.001904759 0.001988547 0.002272532 0.002842411 0.002572903 0.001644785 PC(18:3_16:0)+Na 0.005034334 0.005345044 0.004034192 0.004385865 0.005149703 0.003997367 0.001224985 0.001346636 0.001115727 0.001054616 0.001193285 0.000976293 0.002676343 0.002410994 0.002906139 0.003440152 0.003518572 0.002840935 PE(18:2_23:0)+H 0.002770195 0.003116789 0.001966452 0.002289486 0.003132406 0.002504729 0.000395919 0.000643413 0.000401947 0.000383908 0.000574639 0.000420618 0.001149671 0.001117313 0.001199168 0.001361614 0.001270775 0.000958909 Cer(d17:1_22:1)+H_3 0.000780669 0.00081369 0.000366011 0.000730201 0.000615376 0.000768033 1.73E-08 6.71E-05 6.09E-05 4.02E-05 2.75E-05 1.98E-08 0.000166576 0.00015817 0.000168221 0.000159747 0.000138903 0.000148329 DG(20:0_20:5)+NH4 0.003230876 0.002886183 0.001143693 0.002027604 0.002201532 0.002693288 8.08E-05 0.000306234 0.000216496 0.000145698 0.000178391 0.000128939 0.000657891 0.000626064 0.000860988 0.000679446 0.000564954 0.000725643 PC(18:4_20:2CHO)+H 0.006783574 0.001944801 0.005879952 0.006987629 0.005202734 0.003895842 0.000852255 0.001574633 0.001389258 0.001097902 0.001536792 0.001094811 0.004366346 0.004759935 0.004640558 0.005084733 0.004912646 0.003008321 PC(20:1CHO_20:5)+H_2 0.00081501 3.42E-10 0.000849404 0.000772279 0.000686449 0.000361941 0.00022197 0.000278303 0.000179408 0.000251269 0.000302705 0.000129958 0.001015487 0.00095114 0.000986604 0.000915195 0.000812082 0.000607364 AcCa(18:4)+H 0.00193271 0.002042366 0.0010614 0.00145839 0.001818559 0.001842116 4.23E-05 0.00011851 0.000154523 7.20E-05 0.0001062 8.05E-05 0.000452634 0.000541409 0.000563366 0.000744916 0.00047621 0.000491302 TG(15:0_20:5_20:5)+NH4 0.111323652 0.122718825 0.060965603 0.093416604 0.096311776 0.107987662 0.004123716 0.008712048 0.007484927 0.004695653 0.00761446 0.00491629 0.01865596 0.024637112 0.027567173 0.030253574 0.026868516 0.021246453 TG(5:0_17:1_17:1)+NH4 0.065581269 0.062419544 0.030117179 0.054322708 0.055104205 0.056233932 0.00473941 0.008916241 0.006369184 0.005787314 0.008693117 0.005914877 0.02054902 0.024070618 0.02876402 0.032281686 0.027544503 0.021640095 DG(18:0_20:5)+H 0.003117295 0.002814422 0.001651495 0.002135926 0.002567448 0.002452359 0.000241909 0.000507269 0.000372359 0.000279627 0.000439224 0.00031819 0.000935718 0.000899213 0.001290555 0.001152345 0.001185204 0.001032496 DG(15:0_20:4)+NH4 0.00291486 0.002794222 0.001035231 0.002071078 0.001800373 0.002391708 0.000195302 0.000283531 0.000159701 0.000195292 0.000217543 0.000205557 0.000744307 0.00056496 0.000727625 0.000833953 0.000539474 0.000687973 TG(26:0_17:1_18:1)+NH4 0.033425583 0.029869196 0.016950084 0.028234089 0.027037507 0.020238597 0.001887989 0.003498639 0.003125954 0.002081204 0.00345675 0.002516189 0.011092415 0.009858185 0.011997049 0.014467689 0.011487577 0.008456602 TG(15:0_17:1_17:1)+NH4_1 0.020023618 0.021367302 0.010438542 0.016689056 0.017908603 0.017620065 0.000925342 0.002300956 0.001998348 0.001380538 0.001977915 0.001263989 0.004831077 0.005480884 0.006146887 0.007157467 0.006437055 0.004873766 DG(15:0_18:2)+NH4 0.003773354 0.003621518 0.001567891 0.002549359 0.003279833 0.002792666 0.000147669 0.000367258 0.000279882 0.000253763 0.000229746 0.000241814 0.0011777 0.001134116 0.00096916 0.000827801 0.000835514 0.000803073 TG(15:0_20:5_20:5)+Na 0.00345899 0.005514578 0.003208567 0.003454513 0.004440237 0.003737612 0.000375711 0.000770327 0.000792314 0.000533862 0.000672159 0.000490965 0.001404273 0.001668499 0.001768043 0.002047955 0.001808753 0.00153213 Co(Q9)+NH4_1 0.578924894 0.691773069 0.374171904 0.49427752 0.576414535 0.574694297 0.040359255 0.088481148 0.067493172 0.051605981 0.070374109 0.047533323 0.162773024 0.233016844 0.245722997 0.249757202 0.259591271 0.194850648 PC(16:0_17:1)+Na 0.004814112 0.005461838 0.00370609 0.004440659 0.004847092 0.004710647 0.002523593 0.001582983 0.001623346 0.001661593 0.001940146 0.001602577 0.003818486 0.003618671 0.003574999 0.00402388 0.004093544 0.003236262 PE(O-19:1_20:3)+H 0.002400069 0.003664237 0.00201923 0.002951455 0.003404288 0.002820265 0.000539151 0.000871278 0.00053752 0.000472757 0.000681458 0.000353608 0.001534953 0.001500354 0.001520491 0.001610848 0.001638335 0.001207921 TG(11:1_17:1_20:5)+NH4 0.002570603 0.002583445 0.001204943 0.00186795 0.001963857 0.002105791 0.000255517 0.0004232 0.000307679 0.000258784 0.000342935 0.000229872 0.000766428 0.0010553 0.001181856 0.00108662 0.001074545 0.00083072 PC(18:4_20:5)+Na 0.031261322 0.044310123 0.021212146 0.034590483 0.035554821 0.034094649 0.001015601 0.003397247 0.002155497 0.001639677 0.002355599 0.001593002 0.007349369 0.00710588 0.010425222 0.011079076 0.00904273 0.009332282 TG(18:3_20:5_20:5)+Na 0.001232169 0.001933746 0.001087564 0.000959508 0.001226546 0.001331775 8.06E-05 0.000166396 0.000159014 9.80E-05 0.000213657 0.000106471 0.000367602 0.000518643 0.000569506 0.00058607 0.000544014 0.000470168 Cer(d17:0_24:0)+H_2 0.022376472 0.024143864 0.014187412 0.021673472 0.019809079 0.01928331 0.00132895 0.002297694 0.001891107 0.001409918 0.002121647 0.001303007 0.006096415 0.004837684 0.006993694 0.007207531 0.006647393 0.004892712 TG(17:1_18:1_20:6)+NH4 0.009097218 0.013012819 0.006820166 0.006718646 0.011215426 0.007803377 0.000966822 0.002393073 0.002263674 0.001607436 0.002154629 0.001425851 0.00467202 0.00444025 0.004883638 0.005523014 0.005811894 0.004407519 PE(P-18:0_20:4)+H_1 0.067674881 0.075656613 0.044328883 0.056578731 0.070972005 0.059295216 0.011597615 0.017558992 0.0107187 0.012253024 0.015033895 0.01150477 0.034102865 0.03521322 0.042161165 0.049383899 0.044850317 0.034473076 PC(25:2_13:3COOH)+H 0.013206035 0.003658337 0.011029032 0.011306723 0.010022126 0.008173388 0.000937648 0.00236739 0.001932632 0.001821855 0.002551219 0.001588942 0.007740002 0.008584712 0.00739273 0.008688921 0.009078007 0.0052127 Hex1Cer(d18:2_24:0)+H_1 0.000881777 0.0007697 0.000578257 0.000621888 0.000805725 0.000820836 0.0002636 0.00022907 0.000186707 0.000226282 0.000349786 0.000207397 0.000637708 0.000681589 0.000817298 0.00074841 0.00068907 0.000530573 TG(13:1_17:1_20:5)+NH4 0.012535143 0.013903448 0.00782838 0.009802337 0.010652353 0.01177338 0.00129627 0.002552308 0.001891607 0.001468953 0.00247652 0.00146952 0.005005349 0.005592345 0.006514969 0.006834334 0.007332975 0.005228569 TG(18:0_27:0_19:1)+NH4 0.000606407 0.000693344 0.000514089 0.000592494 0.00168694 0.000628881 7.90E-05 0.000158084 0.000128857 0.00011702 9.97E-05 0.000118577 0.000349812 0.00035947 0.000400107 0.000421711 0.000460286 0.000283124 PC(22:1COOH_17:3)+H 0.002372233 0.000367457 0.001987114 0.002039067 0.001504777 0.001439695 0.000703526 0.000649732 0.000618864 0.000516774 0.000786459 0.000465798 0.001816044 0.001719558 0.001596408 0.00203362 0.002264586 0.001495976 DG(18:0_20:5)+Na 0.018105754 0.022245246 0.010926293 0.012696514 0.016917344 0.01461345 0.002489587 0.004535706 0.003528203 0.003216871 0.00386572 0.002497665 0.007528019 0.00668691 0.00885753 0.007811744 0.007159704 0.007330744 PE(18:2_20:4)+Na 0.005844511 0.006476896 0.003299592 0.004164672 0.005704869 0.005351668 0.000701446 0.001591446 0.000810129 0.0007069 0.00097824 0.000695825 0.002919325 0.002573407 0.003652843 0.003839524 0.003821789 0.003231262 TG(15:0_13:1_17:1)+NH4 0.184823124 0.181144672 0.104768864 0.151347657 0.169063587 0.149314325 0.026536346 0.045705223 0.035623773 0.031479269 0.039225193 0.030821906 0.081281751 0.087498986 0.108263532 0.114196336 0.115242094 0.088076441 TG(20:3_20:5_20:5)+NH4 0.023671501 0.026454618 0.012236474 0.018844184 0.019186112 0.020590886 0.00104614 0.001585507 0.001037007 0.000800015 0.001380811 0.000787619 0.0043019 0.005642152 0.006421441 0.007396128 0.005449849 0.004691897 TG(12:0_20:5_20:5)+NH4 0.004127124 0.005298178 0.002893459 0.003313271 0.002948887 0.00431964 8.83E-05 0.000315325 0.000246106 0.000137042 0.000188534 0.000126097 0.000877528 0.001034353 0.001265429 0.001479033 0.001251728 0.000919243 Cer(d17:1_22:0)+H_2 0.001459295 0.00156757 0.000728702 0.00142408 0.001247101 0.001858975 8.64E-05 0.000145397 0.000225946 0.000131298 0.000182215 0.00011088 0.000438461 0.000729385 0.00073283 0.00079218 0.000619709 0.000702027 TG(5:0_18:2_18:3)+NH4_2 0.001643562 0.001433648 0.000834608 0.00101926 0.001346458 0.00166827 1.77E-09 0.000134977 0.000155181 2.77E-05 7.53E-05 5.49E-07 0.000328605 0.000433186 0.000433517 0.000338111 0.000395413 0.000357134 PE(P-19:0_20:3)+H 0.003037052 0.003206881 0.001948829 0.002940403 0.00344048 0.002683465 0.000532953 0.000864949 0.000576073 0.000474612 0.00067589 0.000337355 0.001544537 0.001497986 0.001545968 0.001653279 0.001707757 0.001217183 TG(14:1_15:1_14:2)+NH4 0.003987981 0.003736794 0.001537792 0.002446019 0.0026897 0.00238072 0.00016501 0.000217237 0.000144228 0.00012733 0.000600415 7.99E-05 0.000935304 0.00132244 0.001272222 0.001373654 0.001416531 0.001097807 DG(18:1_18:3)+NH4_1 0.012930552 0.00999706 0.005601328 0.007849869 0.007907781 0.009013633 0.001017594 0.002066218 0.001591306 0.00132418 0.001623435 0.00167831 0.005187132 0.003886094 0.004969788 0.003927139 0.003611454 0.004445061 DG(17:1_17:1)+Na 0.002594281 0.002420191 0.001393577 0.002105978 0.002012284 0.001644367 0.000880441 0.000678259 0.000553062 0.00079513 0.00078801 0.00065961 0.001385067 0.001707998 0.001627167 0.001775932 0.001349647 0.001437278 TG(20:3_20:3_20:5)+NH4 0.010443861 0.011689706 0.00769797 0.008317159 0.010607155 0.009135193 0.000711543 0.000786087 0.000894152 0.000345425 0.000921869 0.000701805 0.002215117 0.003772867 0.003213613 0.003630174 0.002972218 0.002711054 Cer(d17:0_22:0)+H 0.049862798 0.050091766 0.027027127 0.041771676 0.039019228 0.042076499 0.002713712 0.005243496 0.004127467 0.003333139 0.005002214 0.003202341 0.011054235 0.008571459 0.011497076 0.01231932 0.011438039 0.009296812 TG(18:0CHO_17:1_17:1)+NH4_1 0.024905704 0.021697513 0.013813703 0.020573579 0.024402413 0.021798206 0.000879428 0.001630394 0.001570923 0.00110611 0.001401559 0.001151734 0.004145904 0.004328155 0.005433234 0.005816682 0.005408537 0.003635183 AcCa(20:4)+H_1 0.005190159 0.004688213 0.002110046 0.003880372 0.00398466 0.00439648 0.000111742 0.000202883 0.000109402 0.000129441 0.000146505 9.64E-05 0.00081265 0.001198828 0.001126892 0.001413636 0.000894372 0.000845214 TG(5:0_16:1_17:1)+NH4 0.010319521 0.011294135 0.007549404 0.00926587 0.011173579 0.009743068 0.000780605 0.002226371 0.001612763 0.001325342 0.002002744 0.001245576 0.005621969 0.006023086 0.007913203 0.006477807 0.005899831 0.004643875 PC(18:2_20:5)+Na 0.067561233 0.089241632 0.060520786 0.064690886 0.083391231 0.065199803 0.01331875 0.029993969 0.020671177 0.017855919 0.025352913 0.015426616 0.061726185 0.060558983 0.054292727 0.048769079 0.07020034 0.052957728 DG(17:0_18:1)+NH4_2 0.009998418 0.010066986 0.004506139 0.008078839 0.007974353 0.009396552 0.000530317 0.001155137 0.001020854 0.00079159 0.001080583 0.000693983 0.002309959 0.002462963 0.003155851 0.002482416 0.002177888 0.00233447 TG(17:1_20:4_20:5)+NH4_1 0.16264879 0.186954711 0.094765224 0.141560301 0.158082451 0.155570378 0.010960758 0.019417613 0.018559932 0.012595433 0.018635385 0.012284536 0.034027754 0.040157635 0.044922829 0.047301981 0.046295647 0.03561518 TG(27:0_18:1_18:1)+NH4_1 0.015719479 0.013806422 0.009329655 0.012961827 0.01504147 0.011796604 0.000902845 0.002360074 0.001760708 0.001618582 0.001960664 0.000974321 0.005444444 0.005976761 0.005877352 0.00733614 0.005501666 0.00443727 Hex1Cer(t18:1_24:0)+H_1 0.013582245 0.011705697 0.008190038 0.010866277 0.011604788 0.009915709 0.006973023 0.006316836 0.005689814 0.005824571 0.007167045 0.005500817 0.013282584 0.013686546 0.01398635 0.016208109 0.016202547 0.011052284 Hex1Cer(t17:0_26:1)+H_1 0.004123848 0.004231676 0.002507166 0.003364242 0.00425113 0.003550468 0.001534845 0.001986998 0.001630041 0.001805236 0.002332254 0.001476472 0.003836338 0.003995277 0.004721601 0.004589847 0.005231295 0.003717448 TG(17:1_18:2_20:6)+NH4 0.002118656 0.002410419 0.001911768 0.00428861 0.003126762 0.003990458 0.000147753 0.000349814 0.000751061 0.000498852 0.000716335 0.000208216 0.001705766 0.001958517 0.002064877 0.002662381 0.002564102 0.001983973 PE(18:3_20:5)+H 0.022248524 0.026263505 0.01442427 0.018610971 0.021161646 0.020577025 0.00134094 0.004193999 0.002544544 0.001995137 0.002754677 0.001849946 0.007676608 0.00715434 0.00969389 0.010227603 0.010019475 0.007887706 TG(2:0_18:1_18:1)+NH4 0.005394885 0.004531507 0.001770045 0.003590342 0.003044986 0.004159765 0.00011558 0.000409618 0.000373726 0.0002329 0.000412688 0.000206663 0.000977132 0.001007052 0.00133294 0.001214251 0.001184334 0.00086973 TG(9:0_15:0_17:1)+Na 0.002257593 0.002739269 0.0017004 0.002111856 0.002371594 0.002133629 9.82E-05 0.000140201 0.000188904 0.000139939 0.000138507 0.000135159 0.000586422 0.000667642 0.000810589 0.001043407 0.000920084 0.000710862 PE(18:3_18:2)+H 0.010847314 0.011380901 0.007533725 0.009460941 0.013792231 0.009515475 0.000516102 0.002116331 0.001490175 0.001332541 0.001721807 0.001167491 0.003902037 0.003840255 0.00549463 0.004990897 0.004398814 0.004827047 PC(17:1COOH_23:5)+H 0.001321565 0.001099188 0.001268288 0.001308163 0.000971172 0.000626465 0.00017867 0.000228448 0.000234213 0.00032591 0.000445184 0.000276899 0.001899514 0.002220761 0.002249453 0.002472941 0.002582654 0.001266014 PE(21:0_20:5)+H 0.006130265 0.007719399 0.004796708 0.006126293 0.00716636 0.006185563 0.001093584 0.001643693 0.001310611 0.001050218 0.001271554 0.001253612 0.003328755 0.003188197 0.003452805 0.004013701 0.004414856 0.002873087 TG(2:0_19:1_18:2)+NH4 0.00309266 0.003642693 0.001641339 0.002231778 0.002561033 0.00297271 0.000121735 0.000295673 0.000250441 0.0002282 0.000249317 0.000205172 0.00055929 0.000821359 0.000853996 0.000833367 0.000889272 0.000645301 TG(29:0_19:1_18:2)+NH4 0.001429752 0.001364175 0.000880199 0.001132038 0.001542531 0.001220868 0.000104077 0.000257332 0.000204472 0.000154988 0.000232642 0.000143106 0.000504638 0.000623391 0.000683241 0.000660038 0.000742433 0.000490415 PC(18:1_18:3)+Na_1 0.015066353 0.019942225 0.016102026 0.015124439 0.018805899 0.015494121 0.003848315 0.00870865 0.006311163 0.006082414 0.007691662 0.005848804 0.013757134 0.012575266 0.013687044 0.013915212 0.015480995 0.012862772 TG(16:0_22:0_17:1)+NH4 0.104024795 0.112235295 0.078511276 0.095087735 0.11433692 0.090561133 0.013817748 0.022416385 0.017592237 0.016997227 0.02122723 0.014296974 0.038348919 0.044661596 0.042215399 0.049019736 0.051687316 0.0362049 PG(20:5_18:1)+Na 0.000113749 0.000172278 0.000134894 0.000115633 0.000139432 0.000183027 0.000551097 0.000948719 0.00072362 0.000700482 0.000859108 0.000659666 9.84E-05 0.000185359 3.78E-05 0.00012636 9.61E-05 0.000259232 TG(18:0_20:4_20:5)+NH4 0.011804799 0.013176704 0.052596536 0.014002619 0.010984139 0.009565981 0.002875841 0.002758917 0.002540095 0.001972654 0.002996669 0.002071848 0.004209746 0.004406267 0.004652517 0.005221841 0.004425077 0.004659646 PC(16:1_26:3)+H 0.003814825 0.003754551 0.001868779 0.003131492 0.002734361 0.003630399 0.000100305 0.000236552 0.000221071 0.000107404 0.000201506 0.000138066 0.000770774 0.000946529 0.00138979 0.001360792 0.001126828 0.001000171 TG(18:3_20:5_20:5)+NH4 0.024374404 0.024911854 0.012343373 0.017270117 0.01883523 0.022756521 0.000683848 0.001419018 0.001387541 0.000943304 0.001597034 0.000801873 0.00334757 0.004763613 0.005524523 0.005479898 0.005418832 0.004050728 PC(20:5_18:0COOH)+H 0.010751292 0.004385465 0.011538065 0.010119717 0.008876627 0.00696033 0.00135615 0.00376084 0.00276187 0.002374432 0.003595768 0.002177288 0.00898689 0.010349127 0.008935418 0.011008118 0.011583969 0.007100833 TG(15:1_18:2_20:5)+NH4 0.083919572 0.096072343 0.047054318 0.072013716 0.075626326 0.078824882 0.00331743 0.009309542 0.008281401 0.004949757 0.008110916 0.005120207 0.019159925 0.021862936 0.025658513 0.028765516 0.027002509 0.019901606 Cer(d17:1_21:1)+H 0.037990213 0.041209241 0.025771269 0.032999046 0.036344566 0.035195892 0.005654512 0.007652584 0.007092855 0.005117324 0.006258064 0.005763163 0.014367281 0.01367863 0.011556897 0.012760088 0.015973204 0.011880708 TG(18:0_20:0_17:1)+NH4 0.104024795 0.112235295 0.078511276 0.095087735 0.11433692 0.090561133 0.013817748 0.022416385 0.011411305 0.016997227 0.02122723 0.014296974 0.038348919 0.044661596 0.045733155 0.049019736 0.051687316 0.0362049 PC(20:2_19:1)+Na 0.004643231 0.005050558 0.003043537 0.003209616 0.003656915 0.003858491 0.001032764 0.001223418 0.000773102 0.000937961 0.001008495 0.000786248 0.00220887 0.002948712 0.002480653 0.002074779 0.002375169 0.002048431 TG(5:0_14:0_17:1)+NH4 0.006079285 0.006492339 0.00315676 0.005687437 0.005573593 0.006267773 0.000300153 0.000608208 0.000446539 0.000459638 0.000560203 0.000442553 0.00194655 0.00178541 0.002638095 0.002827503 0.002394256 0.001751689 TG(5:0_17:1_18:1)+NH4_3 0.004050376 0.004584294 0.001539529 0.00348424 0.003239936 0.003743713 8.56E-05 5.04E-05 7.11E-05 8.37E-05 4.96E-05 3.97E-05 0.000340429 0.000437401 0.000448643 0.000412344 0.000409801 0.000228424 PC(20:4_20:5)+Na_2 0.031517371 0.047585911 0.032789899 0.035788886 0.045838422 0.038224078 0.009153393 0.013484166 0.008436141 0.006878788 0.010791371 0.006195993 0.02710388 0.029115168 0.020954199 0.031937004 0.02390544 0.026328518 TG(5:0_15:0_16:1)+NH4 0.003012683 0.003011327 0.001531584 0.002534021 0.002494307 0.002719444 7.99E-05 0.000184844 0.000164319 0.000132414 0.000196844 0.000114977 0.000594807 0.000666767 0.001021212 0.000895212 0.000839647 0.000658248 TG(10:0_15:0_17:1)+NH4 0.036514638 0.039060946 0.020954463 0.032289829 0.031377364 0.033066457 0.001455322 0.00305284 0.002738035 0.00164166 0.002562056 0.001773296 0.00916074 0.009202558 0.011649759 0.014008087 0.011927322 0.008207703 AcCa(18:0)+H 0.017019141 0.012260917 0.006926575 0.010486545 0.010038495 0.013545388 0.001967353 0.001839912 0.001525714 0.00154392 0.001445213 0.001664647 0.003879042 0.005061678 0.005738261 0.005190178 0.004999946 0.003648236 Co(Q9)+H 0.0255747 0.030998816 0.01684968 0.02124776 0.023038752 0.023705035 0.001839329 0.004197557 0.003220783 0.002462636 0.002991689 0.002106956 0.007240559 0.009998712 0.01016266 0.010944702 0.011781271 0.008345509 TG(14:0_14:0_17:1)+NH4 0.030054727 0.037318602 0.023846789 0.035265219 0.030283968 0.03049771 0.005343968 0.007368385 0.005440021 0.004747283 0.006515819 0.004602415 0.018025544 0.017983915 0.021501404 0.024548838 0.026431198 0.016641454 TG(14:0_20:5_20:5)+NH4 0.025499658 0.032096744 0.014267709 0.020944745 0.021325526 0.025846787 0.000976896 0.001712026 0.001543146 0.000898909 0.0015421 0.000975419 0.004362959 0.00504745 0.00526522 0.006788182 0.005994606 0.004048012 DG(17:1_20:5)+NH4 0.03530719 0.02929555 0.012222855 0.019793362 0.022452739 0.02547684 0.003149191 0.004650022 0.002766592 0.002577717 0.003139742 0.002938631 0.008723154 0.00780612 0.010126037 0.008299119 0.006649769 0.009543153 TG(21:0_18:1_19:1)+NH4 0.001771256 0.185282035 0.129698939 0.160835443 0.189617183 0.155249834 0.019175148 0.025699669 0.03225847 0.022119154 0.030256816 0.02101758 0.0565761 0.080968122 0.066921199 0.073440712 0.07003749 0.054406976 TG(5:0_18:0_18:1)+NH4_2 0.009893881 0.008933311 0.00444681 0.008338431 0.007566163 0.00758512 0.00041916 0.000844723 0.000668716 0.000638136 0.000875096 0.000591981 0.00225099 0.00268813 0.003273832 0.003783617 0.003458128 0.002461732 TG(5:0_16:0_18:2)+NH4 0.015889694 0.012108507 0.006508435 0.010228059 0.009523372 0.014429604 0.000330032 0.000855415 0.000713759 0.00059902 0.000739484 0.000580223 0.002808322 0.003086259 0.003841146 0.00464386 0.003717105 0.002664684 TG(27:0_19:1_18:2)+NH4 0.006312486 0.005239199 0.00382614 0.004037897 0.006292597 2.15E-05 0.00021589 0.000768482 0.000680529 0.000427819 0.000624793 0.000393403 0.001734256 0.001488759 0.001956432 0.002162846 0.002140378 0.001531695 TG(5:0_15:1_17:1)+NH4 0.003202085 0.003340398 0.003599262 0.002678749 0.003008876 0.003035579 0.000721371 0.001616392 0.001245813 0.000898695 0.001483329 0.00114832 0.003504654 0.003916239 0.004200627 0.003553647 0.003333044 0.002614529 TG(5:0_18:1_18:1)+NH4 0.074515914 0.067300187 0.035621486 0.056614761 0.054725336 0.059020477 0.001086886 0.003765104 0.002700072 0.002423379 0.003744293 0.002489931 0.010201261 0.012017334 0.014701509 0.012969413 0.012953874 0.008217892 TG(29:0_17:1_19:1)+NH4 0.001647425 0.001456376 0.000942577 0.001258157 0.001923565 0.001512729 0.000275026 0.000618044 0.000542079 0.000438922 0.000543526 0.000410201 0.001106746 0.001355475 0.00141998 0.001467239 0.001769498 0.001261202 DG(18:1_20:2)+NH4 0.007472685 0.005874293 0.003021479 0.003904393 0.00452551 0.00554453 0.000494122 0.000738435 0.0006733 0.000571968 0.00066736 0.000554435 0.001643007 0.001781197 0.001990876 0.001251403 0.00145311 0.001536128 DG(20:3_20:3)+NH4 0.007071431 0.005678916 0.002227323 0.003696031 0.003465628 0.004717475 0.000691154 0.000835194 0.000573445 0.000439472 0.000438543 0.000361072 0.002115249 0.001897015 0.002475986 0.001683113 0.001525457 0.00220824 DG(20:4_20:4)+NH4_1 0.001632899 0.001292637 0.000538092 0.00092949 0.001046657 0.001112407 0.000328433 0.000432023 0.000214851 0.000226844 0.000261922 0.000216524 0.001113897 0.000969835 0.001216764 0.000787236 0.000793581 0.00111102 PC(17:2_18:2)+Na 0.004527684 0.007453003 0.002870629 0.004791959 0.005690961 0.004236646 0.000512699 0.000924899 0.00138436 0.000555109 0.000592846 0.00045736 0.00289972 0.002272051 0.00242106 0.0027991 0.003007621 0.002107823 Hex1Cer(t18:1_24:0)+H_2 0.023980959 0.026339637 0.017185446 0.022071672 0.024844365 0.022664599 0.006005226 0.006019399 0.005220392 0.004328534 0.006021885 0.004318831 0.012297356 0.01339098 0.014348626 0.01584776 0.017125772 0.010999353 TG(5:0_17:1_17:1)+Na 0.00497339 0.005820638 0.003128167 0.004118849 0.00439873 0.004526123 0.000754442 0.001150233 0.00093964 0.000982789 0.001270385 0.000999258 0.002203472 0.002192301 0.002933506 0.003097965 0.002884492 0.002342363 TG(18:2_20:4_20:5)+NH4 0.027754335 0.03386632 0.016170459 0.021578542 0.023750962 0.024428356 0.000868753 0.002420263 0.001913621 0.001379768 0.002211667 0.001205142 0.00512026 0.006528643 0.008226678 0.007228444 0.007394892 0.005236466 DG(16:0_20:3)+NH4 0.005652302 0.005137332 0.001645496 0.003180081 0.002360161 0.003161981 0.000817339 0.000746748 0.000451965 0.000608127 0.00062488 0.000474665 0.001341001 0.001314107 0.001799913 0.001635973 0.001586114 0.00187179 PC(27:4_10:1COOH)+H 0.00807856 0.002195891 0.007254529 0.008699446 0.006054678 0.004860416 0.000765626 0.001558313 0.000940038 0.001044225 0.001293613 0.000816703 0.004636547 0.005304466 0.004628731 0.006758896 0.006373411 0.003810835 TG(15:0_14:1_18:1)+NH4 0.130469145 0.172776832 0.091932429 0.129568282 0.140765406 0.136003214 0.009029462 0.015701828 0.021827957 0.014884872 0.027989929 0.013999694 0.045690285 0.044333904 0.049991924 0.053548291 0.052765001 0.039946295 PC(18:1_18:3)+Na_2 0.017865972 0.020928233 0.018154716 0.017276193 0.022207852 0.017709348 0.00280729 0.007130748 0.005072627 0.004524551 0.006403606 0.003831671 0.011974697 0.01146847 0.012581921 0.010620585 0.013527941 0.01099932 AcCa(20:5)+H_1 0.03080496 0.032272813 0.014984044 0.012318709 0.015365465 0.026746236 0.001037561 0.001202842 0.001282234 0.000609543 0.000591384 0.00083023 0.004830625 0.007545242 0.007176912 0.008567785 0.00561875 0.005019742 DG(18:0_18:2)+NH4 0.011572379 0.009967723 0.004403272 0.00812945 0.009100075 0.009967212 0.001320097 0.002112529 0.001190486 0.001285918 0.001140303 0.000893484 0.003656057 0.003370216 0.004053874 0.002897001 0.003119189 0.00331412 BisMePE(19:1_18:2)+H 0.019226547 0.016833296 0.010343765 0.017357518 0.016244672 0.020914745 0.000450828 0.001255031 0.000797757 0.000816199 0.001013092 0.000703096 0.00316566 0.00300474 0.004009251 0.004805372 0.004413727 0.003086965 TG(4:0_17:1_17:1)+NH4 0.004557719 0.004891002 0.002117727 0.003888869 0.003542966 0.004240638 0.00021249 0.000301616 0.000128276 0.000207177 0.000217773 9.42E-05 0.000684496 0.000720589 0.000768077 0.00112958 0.000868678 0.000993072 PC(20:1CHO_18:4)+H 0.016436031 0.009650437 0.01166556 0.015035808 0.012509582 0.011615535 0.002643162 0.003864832 0.003749119 0.003272155 0.004741909 0.002730042 0.010341365 0.009871509 0.008873797 0.010432169 0.011918726 0.007258739 TG(5:0_17:1_20:3)+NH4 0.00686464 0.007836011 0.003275657 0.005984649 0.00558311 0.006722935 0.000348771 0.000494209 0.000263702 0.000327729 0.000460512 0.000270341 0.001251955 0.002024931 0.001803899 0.002407986 0.002080831 0.001562459 TG(2:0_18:0_18:2)+NH4 0.002873822 0.002846845 0.00093025 0.002719038 0.002681826 0.003016235 0.000248062 0.000303699 0.000365974 0.000207848 0.000285825 0.000285225 0.001022789 0.000932537 0.001452634 0.001149667 0.001014215 0.000839165 AcCa(20:5)+H_2 0.03080496 0.032272813 0.014984044 0.020097496 0.024065813 0.026746236 0.001037561 0.001202842 0.001282234 0.000609543 0.000938995 0.00083023 0.004830625 0.007545242 0.007176912 0.008567785 0.00561875 0.005019742 TG(9:0_17:1_18:1)+NH4_1 0.129792073 0.142505675 0.071551384 0.102280473 0.115621569 0.113327796 0.009021196 0.020413976 0.017760307 0.01312599 0.017694177 0.012476748 0.040428647 0.042196205 0.054705589 0.057514233 0.049983691 0.038377691 TG(12:0_15:0_17:1)+NH4 0.07669111 0.090075162 0.045993639 0.071669212 0.087672529 0.074838839 0.004307208 0.013031848 0.007761869 0.005938012 0.008362191 0.005907466 0.026085376 0.025510435 0.029461892 0.03732259 0.033555904 0.023560071 DG(18:0_20:4)+NH4_2 0.004186083 0.003577626 0.001428551 0.002489415 0.002953741 0.002948297 0.000308584 0.000573875 0.000456991 0.000317707 0.000459516 0.000341823 0.00109449 0.000910304 0.001341293 0.00119648 0.000926256 0.001177107 DG(18:1_28:3)+H 0.001166323 0.001456944 0.000802265 0.000997238 0.001210296 0.001156175 0.000165439 0.000217843 0.000277285 0.000181656 0.000195417 0.0001515 0.00056281 0.000667412 0.000631115 0.00056851 0.000413706 0.000695809 TG(5:0_14:1_17:1)+NH4 0.002998577 0.00383405 0.001532219 0.002756158 0.003089493 0.003381058 0.000162904 0.000889706 0.000632631 0.000575986 0.000834823 0.00061386 0.001866021 0.001753656 0.002070007 0.001532986 0.001903119 0.001569017 TG(14:0_17:1_17:1)+NH4_1 0.161493246 0.202412157 0.139827145 0.189935847 0.21372358 0.155406308 0.060219427 0.07163272 0.060234666 0.054087129 0.071314325 0.059560308 0.127837287 0.142854837 0.163754963 0.200822211 0.18158706 0.148167512 TG(17:0_17:1_18:1)+NH4_1 0.056141975 0.06611741 0.043441679 0.052506554 0.064152367 0.056947079 0.005967778 0.017412687 0.012529269 0.009774404 0.012288759 0.009125657 0.033935891 0.03376936 0.035411032 0.045935607 0.044811878 0.030669465 TG(17:0_22:0_18:1)+NH4 0.054309592 0.056813574 0.037286273 0.040945041 0.054223181 0.047415846 0.005241555 0.009321851 0.008438758 0.005777435 0.008267718 0.005895837 0.016181688 0.020276385 0.020686816 0.019510053 0.023149823 0.01526564 TG(20:4_20:5_20:5)+NH4_2 0.011698872 0.013535654 0.005731808 0.008872458 0.008495137 0.010759627 0.000634109 0.000943872 0.000973261 0.000530352 0.000882902 0.000587099 0.00291249 0.004264371 0.003939184 0.003976899 0.003515821 0.002283428 TG(14:0_16:0_17:1)+NH4 0.279276469 0.374547364 0.236609073 0.301990651 0.371427437 0.279463353 0.033813927 0.062801934 0.07833973 0.04677042 0.064807667 0.054359654 0.140249825 0.142390518 0.152072545 0.193407509 0.173909074 0.131271287 Cer(d16:1_22:0)+H 0.00171479 0.001571904 0.000950326 0.001269395 0.0013248 0.00145636 0.000229124 0.000216173 0.000140397 0.000180044 0.000258802 0.000174239 0.000436576 0.000488684 0.000607393 0.000505442 0.000599658 0.000426752 TG(9:0_15:0_17:1)+NH4 0.041925835 0.038143914 0.017865218 0.036238892 0.039349229 0.031938916 0.000745326 0.001618551 0.001300031 0.000894682 0.001353246 0.001014643 0.007041089 0.006114074 0.009285189 0.010934533 0.008505072 0.006097665 TG(5:0_15:0_17:1)+Na 0.001921558 0.002443709 0.001244825 0.001924851 0.001924809 0.001828083 7.92E-05 0.000228301 0.000102336 0.00016683 0.000174035 0.000129824 0.000552102 0.000754319 0.000845631 0.001076661 0.000859365 0.000689071 PC(25:4_10:1CHO)+H 0.003584647 0.001374954 0.003197098 0.003465004 0.003183854 0.002609851 0.000763926 0.001140603 0.001150384 0.00083233 0.00130141 0.000887046 0.002480906 0.002391856 0.002258181 0.002917638 0.002825887 0.001956185 TG(16:0_20:5_20:5)+NH4 0.045733679 0.048265546 0.0242165 0.038693336 0.040540591 0.0438138 0.00420984 0.005892157 0.004819053 0.003491238 0.004291595 0.003180302 0.008659786 0.010047439 0.010633958 0.01323738 0.012208414 0.010557112 TG(18:1_20:5_20:5)+NH4 0.141972132 0.173116834 0.094276337 0.129011483 0.135008003 0.137352978 0.006613547 0.0164375 0.015194574 0.008896598 0.014843854 0.008349018 0.029994738 0.038808337 0.042798492 0.041668275 0.036923958 0.029342837 PC(17:1_17:1)+Na 0.022561723 0.028770379 0.022894734 0.022151409 0.028362711 0.020039151 0.019109337 0.016329621 0.011812192 0.014473947 0.015382352 0.013258285 0.025725055 0.025257262 0.025158639 0.029190063 0.030209131 0.025571335 PC(9:0COOH_27:5)+H 0.0028868 0.000936242 0.00237031 0.002833234 0.002355248 0.002106969 0.000682576 0.000840397 0.001141247 0.000802597 0.001242213 0.001078019 0.002101481 0.001911411 0.002020578 0.002095857 0.002211849 0.001645346 DG(22:0_18:1)+NH4 0.001426761 0.001202708 0.000700743 0.001007769 0.001348272 0.001233538 7.41E-05 0.000111437 0.000133516 7.49E-05 0.000141075 6.36E-05 0.000312653 0.000369855 0.000539326 0.000470837 0.000355852 0.000452952 DG(16:0_20:5)+NH4 0.010648228 0.009758978 0.004157197 0.006503244 0.00712312 0.008181001 0.001632632 0.002029113 0.00154745 0.001043121 0.001635737 0.001156674 0.003988011 0.00330962 0.00508362 0.003863506 0.00354003 0.004122599 TG(22:0_18:1_20:3)+NH4 0.016286207 0.018602967 0.013082422 0.014854938 0.017358298 0.015162785 0.001596949 0.00298958 0.002473178 0.002049557 0.002933502 0.001986964 0.004651844 0.005850147 0.005525381 0.006193643 0.00612823 0.004582903 DG(18:3_20:4)+NH4 0.002985506 0.00239758 0.001341628 0.001693451 0.001667739 0.002150007 0.000193435 0.000480132 0.000379735 0.000189964 0.00032514 0.0002085 0.001106287 0.000862738 0.001157554 0.001058599 0.000753972 0.001173468 TG(13:0_20:5_20:5)+NH4 0.007454816 0.00931567 0.00353252 0.006053841 0.005452324 0.006872875 0.000249785 0.000608247 0.000538219 0.000315091 0.000544192 0.000463193 0.001589135 0.002086906 0.002737728 0.0025803 0.002698633 0.00176823 Hex1Cer(d17:1_24:0)+H 0.002048195 0.001651612 0.001078792 0.001392569 0.001573008 0.001574304 0.000169779 0.000316609 0.00028921 0.000209895 0.000315626 0.000209403 0.000822848 0.00072729 0.001014186 0.001147772 0.001077542 0.000731385 AcCa(20:4)+H_2 0.002095595 0.002352871 0.00096074 0.001215121 0.00152351 0.001966056 0.000143427 0.000163815 0.000149371 8.31E-05 0.000146331 0.000140009 0.000728829 0.001025624 0.00090522 0.00099536 0.000506069 0.000754139 PE(20:5_20:5)+H 0.031203737 0.034562497 0.018275485 0.024797101 0.028424941 0.026514228 0.001422261 0.003950543 0.00271815 0.001689305 0.002947688 0.001745283 0.007029502 0.006948552 0.009763256 0.010048961 0.00999594 0.007732704 TG(17:0_26:0_19:1)+NH4 0.002973828 0.002712013 0.001651436 0.001843219 0.003313861 0.002683469 0.000225513 0.00042738 0.000412031 0.000274293 0.000400644 0.000301788 0.001038319 0.001171186 0.001217858 0.001353063 0.001333297 0.00076687 TG(14:0_15:0_16:1)+NH4 0.12660402 0.150368986 0.082143661 0.130449954 0.13802317 0.116378861 0.006896296 0.016392793 0.018377935 0.010405825 0.014410817 0.009865027 0.040115187 0.044589979 0.052317052 0.06279004 0.059926343 0.040196263 TG(22:0_18:1_20:1)+NH4 0.040332764 0.048226595 0.028871255 0.038804934 0.033770387 0.034053375 0.005404272 0.010003592 0.006694885 0.00553802 0.009463609 0.007600847 0.01597111 0.018191833 0.017550343 0.014198026 0.019637605 0.015855642 DG(18:1_20:1)+NH4 0.004571968 0.004193899 0.002215833 0.003219677 0.003321247 0.003853261 0.0001348 0.000534229 0.000422849 0.000344435 0.000474947 0.000306935 0.001040035 0.000953667 0.001282202 0.001006495 0.00089424 0.001050554 PE(18:4_20:5)+H 0.006221979 0.007118051 0.003949984 0.004762052 0.005993759 0.005704374 0.000228679 0.000853979 0.000573028 0.000381213 0.000582701 0.000360726 0.001632821 0.00138438 0.002151373 0.002146924 0.002286885 0.001892275 TG(5:0_17:0_17:0)+NH4 0.003912264 0.003734537 0.001325848 0.004069139 0.003380065 0.00406363 6.62E-05 0.000102796 0.000131413 4.79E-05 0.000104245 2.32E-05 0.000477975 0.000606323 0.000709414 0.000841574 0.000845261 0.000485483 TG(14:0_13:1_17:1)+NH4 0.046334838 0.049817698 0.023004804 0.034741366 0.035968363 0.051479498 0.011974571 0.013900433 0.009789793 0.009195536 0.0113388 0.009018506 0.024651343 0.028349612 0.032427439 0.037708842 0.034986757 0.024865842 TG(16:1_20:5_20:5)+Na 0.001275641 0.002733107 0.00122098 0.000945974 0.001671566 0.00131282 9.95E-05 0.000273885 0.000229492 0.00021982 0.000233219 0.000188053 0.000518435 0.000478906 0.000637158 0.000676518 0.000594096 0.000474054 TG(18:4_20:5_20:5)+NH4 0.005808061 0.006832812 0.003204017 0.004696003 0.004558 0.005624144 0.000118258 0.000393314 0.000368493 0.000253178 0.000379911 0.000241329 0.000946462 0.001253212 0.001400037 0.001645927 0.001318329 0.000989136 Cer(d17:1_20:1)+H 0.005322956 0.005331746 0.003240818 0.005018005 0.00468249 0.005043037 0.00074449 0.001199891 0.00103357 0.000803539 0.001198255 0.000825044 0.001931187 0.001613838 0.002059431 0.002089564 0.002128299 0.001805356 DG(16:1_18:1)+NH4_1 0.007132932 0.007330646 0.00316519 0.003997853 0.005525262 0.006645658 0.000212939 0.000392809 0.00037279 0.000240586 0.000361435 0.000343337 0.002782194 0.001603032 0.002240427 0.001828387 0.001539796 0.001742659 DG(19:1_18:2)+Na 0.002517311 0.002684697 0.001313212 0.001777073 0.002160799 0.002260816 0.000562114 0.000818119 0.000491543 0.000555732 0.000513076 0.000489849 0.001210827 0.001033208 0.001152877 0.00109682 0.001151306 0.001398945 TG(14:0_15:0_17:1)+NH4 0.234244437 0.179939675 0.120976138 0.145996264 0.197984119 0.148579281 0.018907597 0.033085157 0.03329051 0.019408711 0.040137449 0.029603064 0.075418553 0.070545851 0.084325042 0.103159078 0.097536187 0.072311117 TG(18:0CHO_17:1_19:1)+NH4_1 0.009508191 0.006126341 0.00649742 0.006704626 0.008749007 0.008248683 0.00055679 0.000417183 0.000582879 0.000647165 0.000688045 0.000561033 0.002109958 0.001518426 0.002071752 0.001645469 0.001834993 0.001261945 TG(5:0_18:1_18:4)+NH4 0.001988493 0.001783822 0.000831124 0.001189097 0.001494459 0.001577558 2.92E-05 0.000121545 6.85E-05 6.95E-05 0.000148265 5.50E-05 0.000301942 0.000617605 0.000445943 0.000545516 0.000448708 0.00052301 PC(O-15:1_20:5)+H 0.185485539 0.215808842 0.133947145 0.15563538 0.192921811 0.165743047 0.018025602 0.037342173 0.026067682 0.021437238 0.032812866 0.021311942 0.060037827 0.060423101 0.077663516 0.084127565 0.080687134 0.063814431 PE(13:3CHO_17:0)+H 0.000876797 0.000209167 0.000687376 0.000682925 0.000887929 0.000689272 0.000132035 0.00013822 0.000164925 0.00015585 0.000173102 0.000120544 0.000415888 0.000491529 0.000390858 0.000552191 0.000583184 0.000357792 TG(17:1_18:3_20:5)+NH4 0.152157929 0.168233605 0.091768131 0.13128222 0.140901668 0.142026535 0.008651755 0.017133992 0.01450628 0.010175696 0.014771858 0.009385248 0.032160588 0.037766723 0.040818212 0.050682875 0.042794955 0.031818602 AcCa(16:0)+H 0.014924371 0.012752212 0.010734437 0.012214545 0.010860883 0.01266728 0.002923139 0.002555346 0.002474659 0.001743201 0.002776615 0.002798456 0.004841547 0.005082081 0.006427542 0.006811532 0.006502462 0.005188138 TG(17:0_18:0_18:1)+NH4 0.146308081 0.185077054 0.115772756 0.143663115 0.171520123 0.14522781 0.032412196 0.046734178 0.043033369 0.03331189 0.04625115 0.032935235 0.076830416 0.078300234 0.089049767 0.092617796 0.066511844 0.073811216 Hex1Cer(d17:1_24:1)+H_1 0.001419295 0.000985804 0.000992639 0.001228839 0.001218991 0.001112924 0.000531893 0.000580843 0.000557896 0.000443343 0.000583635 0.000519852 0.000947181 0.001106533 0.001201285 0.001125389 0.001417604 0.000989612 TG(27:0_19:1_20:3)+NH4 0.000971965 0.001011185 0.000668651 0.000690477 0.001087223 0.000841503 6.39E-05 0.000125682 0.000104275 6.69E-05 0.000118696 0.000111383 0.000277143 0.000288474 0.000350643 0.000355088 0.000343535 0.000215251 Hex1Cer(t17:0_24:1)+H_1 0.01521735 0.014018763 0.010144734 0.012973773 0.014766833 0.012952431 0.006514312 0.007032768 0.005757747 0.005267766 0.007088834 0.00503804 0.011582004 0.01301036 0.013582393 0.013992486 0.015716464 0.01044655 DG(18:1_20:5)+NH4 0.149050161 0.110848292 0.060916762 0.079831945 0.087274933 0.108413821 0.008669468 0.018958418 0.014305691 0.01077261 0.015237309 0.011131652 0.036018525 0.030217079 0.041113595 0.032773265 0.027365096 0.03678257 TG(15:0_17:1_17:1)+NH4_2 0.66288575 0.730096194 0.585421645 0.772208408 0.86171441 0.778455092 0.207333519 0.287542571 0.244484529 0.253492059 0.296741561 0.228906442 0.493071271 0.462483048 0.513540562 0.594480521 0.60877852 0.432812769 TG(14:1_16:1_18:2)+NH4_1 0.135973312 0.143364988 0.093374705 0.123778107 0.140390213 0.136763468 0.015711236 0.038778911 0.030093291 0.026012555 0.032831911 0.023996813 0.062345284 0.065884202 0.077274301 0.08324024 0.082285149 0.059787393 TG(15:1_17:1_16:2)+NH4 0.135973312 0.143364988 0.093374705 0.123778107 0.140390213 0.136763468 0.015711236 0.038778911 0.030093291 0.026012555 0.032831911 0.023996813 0.062345284 0.065884202 0.077274301 0.08324024 0.082285149 0.059787393 TG(15:0_27:0_17:1)+NH4 0.019067383 0.014656976 0.012156251 0.016028682 0.021105883 0.012464052 0.001545325 0.0034018 0.002272066 0.001596308 0.003133746 0.001468249 0.00575123 0.007083743 0.007744728 0.007271937 0.007398662 0.005150618 PE(18:2_18:2)+Na_1 0.004835737 0.004917146 0.003408311 0.004109316 0.004806136 0.004103971 0.000278557 0.000740988 0.000448157 0.000378715 0.000566118 0.000386937 0.001474034 0.001378718 0.002034184 0.002375379 0.002009663 0.001769815 TG(18:0_27:0_18:1)+NH4 0.002441176 0.001556326 0.001643328 0.002293835 0.003365379 0.00253236 0.00019 0.000505057 0.000518387 0.000346604 0.000469679 0.000320159 0.001078492 0.001143043 0.001285241 0.0015249 0.001481042 0.000978727 TG(15:0_18:0CHO_17:1)+NH4_1 0.010702425 0.009562644 0.005212093 0.010347162 0.008759808 0.009922178 0.000225632 0.000601015 0.000631522 0.00043355 0.000630722 0.000474077 0.0016429 0.001470956 0.002101284 0.002266105 0.001756929 0.001397439 TG(27:0_17:1_18:2)+NH4 0.020228528 0.019802059 0.009824323 0.016355858 0.019987108 0.016125242 0.000672049 0.001450124 0.001272352 0.000987535 0.001296286 0.00087959 0.003488821 0.005836802 0.004084871 0.004188851 0.004515314 0.00334919 PE(20:0_20:5)+H 0.027257996 0.02912805 0.017614281 0.022139991 0.026949416 0.02295447 0.00320382 0.006253021 0.005145204 0.005134594 0.006802634 0.004020081 0.010417806 0.010728394 0.012177402 0.014366942 0.013270033 0.011014035 TG(7:0_15:0_16:1)+NH4 0.001152482 0.001239687 0.000355865 0.000990087 0.000685582 0.001091918 2.04E-05 1.10E-06 2.60E-07 1.94E-05 4.74E-07 1.36E-05 0.000130107 9.65E-05 0.00020265 0.000204255 0.000138461 0.000156412 TG(2:0_17:1_17:1)+NH4 0.002475495 0.002181014 0.001017395 0.001964508 0.001901549 0.002049226 0.000188294 0.00047669 0.000346575 0.000306228 0.000372219 0.00030955 0.000853047 0.000995187 0.001113689 0.001447883 0.001186763 0.000976715 PC(15:0_20:5)+Na 0.022333458 0.032244631 0.023987001 0.030876139 0.03159406 0.026897053 0.004054594 0.00920965 0.007608606 0.005821018 0.008384338 0.005589833 0.016429243 0.014956561 0.016161302 0.019662705 0.019712325 0.014318237 AcCa(20:0)+H 0.003491754 0.003388437 0.001350085 0.002765044 0.002133361 0.003764333 0.000477478 0.000647757 0.000393922 0.000542793 0.000386818 0.000581613 0.001191685 0.001122825 0.001400533 0.001334122 0.001643506 0.001070723 TG(13:0_14:0_15:0)+NH4 0.01594976 0.017045652 0.007646056 0.015482937 0.012581306 0.015338221 0.000142818 0.000488417 0.000557615 0.00036308 0.00059174 0.000349954 0.002505638 0.002478036 0.003485417 0.004741688 0.003753948 0.003023879 PE(17:0_20:5)+H_1 0.222171085 0.257023308 0.15209997 0.191031748 0.230663729 0.217113268 0.022122629 0.050758847 0.038929098 0.030266718 0.042280674 0.027213299 0.08107963 0.081172893 0.099134177 0.109529379 0.109185243 0.081852108 DG(18:0_18:3)+NH4_1 0.001682985 0.00149232 0.000555753 0.000894215 0.001312029 0.001173911 0.000160879 0.000129879 0.000204835 6.33E-05 0.000115675 0.000117754 0.00060694 0.00057472 0.000790989 0.000555273 0.000440404 0.000471563 PE(P-20:1_18:2)+H 0.019047827 0.023316904 0.018394873 0.017486334 0.021607501 0.019176353 0.00505728 0.00785079 0.005453384 0.005254999 0.008025897 0.005001536 0.010951883 0.011936463 0.01363749 0.015122757 0.014983899 0.013565375 TG(5:0_18:1_20:4)+NH4_2 0.0015534 0.001458224 0.000893848 0.00180015 0.001568434 0.001376786 8.60E-05 0.000252086 0.000150952 6.08E-05 0.000148985 9.60E-05 0.0005276 0.000613132 0.000587337 0.000899868 0.000669033 0.000545392 TG(27:0_19:1_18:3)+NH4 0.004731807 0.003212015 0.001453019 0.00361779 0.003220077 0.003980902 0.000115602 0.000327769 0.000256804 0.000187617 0.000335636 0.000200375 0.000774929 0.00081988 0.000887518 0.001177128 0.000928143 0.000672024 DG(19:1_20:5)+NH4_1 0.091428132 0.071417876 0.02943679 0.050400475 0.054134424 0.067011751 0.007709345 0.011931734 0.008371748 0.006394668 0.008034208 0.00666447 0.016795037 0.016008698 0.021184772 0.017996421 0.015639505 0.019030665 PC(17:1_20:3)+Na 0.015178747 0.019500084 0.01295047 0.012647062 0.017524543 0.013756951 0.006275592 0.008522785 0.005775283 0.006210696 0.007753971 0.005533852 0.01298513 0.013020499 0.011891886 0.015564816 0.015903668 0.012231507 TG(19:1_18:2_20:4)+NH4 0.029389703 0.039303377 0.019632046 0.032827262 0.027658583 0.031483832 0.005997059 0.007900674 0.007133094 0.005788968 0.008857007 0.007022568 0.012013302 0.01396136 0.013458656 0.012941119 0.014481658 0.010874151 PE(22:0_20:5)+H 0.007332563 0.009390915 0.005028681 0.006076253 0.007266507 0.006762691 0.000965981 0.002019793 0.001528825 0.001212402 0.001569069 0.00120198 0.003206026 0.003341438 0.004359791 0.004720745 0.004318597 0.003399976 TG(5:0_14:0_15:0)+NH4 0.001445016 0.001328965 0.000834642 0.001223318 0.001054687 0.001314714 0.00014319 0.000110598 0.000188616 0.000124329 0.000156012 0.000144438 0.000446817 0.000399535 0.000490002 0.000549607 0.000587279 0.000335025 PC(20:5_20:5)+Na 0.035372 0.049481971 0.06378291 0.040322636 0.049489175 0.031337344 0.017110936 0.031263713 0.023461031 0.017134597 0.027422433 0.016079088 0.048182472 0.042673873 0.052824256 0.058304682 0.058011879 0.048017156 TG(7:0_18:1_18:2)+NH4 0.009756751 0.008886835 0.004130334 0.00780254 0.007094374 0.007723057 0.00034992 0.000200372 0.000375021 0.000298515 0.000411948 0.0002271 0.00082423 0.000999726 0.00127601 0.001290852 0.001272769 0.000858163 PC(16:0_20:1CHO)+H 0.001621217 0.00131823 0.001001361 0.001413199 0.001172119 0.001202531 0.000432066 0.000187061 0.000264976 0.000235622 0.000336505 0.000201037 0.000761421 0.000709357 0.000584395 0.000679118 0.000661617 0.000579884 AcCa(17:0)+H_1 0.020580398 0.019238161 0.011375869 0.014576819 0.0137585 0.025191971 0.001858464 0.002216338 0.003143204 0.001554998 0.001892253 0.001725182 0.003982839 0.005953809 0.005670975 0.005676529 0.004583275 0.005484324 TG(17:0_18:0_19:1)+NH4 0.136705725 0.151390322 0.105050331 0.128667117 0.154358878 0.136265721 0.020007934 0.034587756 0.031424164 0.025135161 0.03429253 0.023251856 0.054271779 0.066223715 0.067214537 0.070645587 0.077782762 0.05403463 TG(15:1_17:1_17:1)+NH4_1 0.150903915 0.156009598 0.122525981 0.147895878 0.28336577 0.180785674 0.122122705 0.156089717 0.13259114 0.104531181 0.120143688 0.121514942 0.215462831 0.232146698 0.244081187 0.246298455 0.279169719 0.196301001 AcCa(14:0)+H 0.005586227 0.006513242 0.00375384 0.005050455 0.00474276 0.005469227 0.001517335 0.00090884 0.001307233 0.001213606 0.00083801 0.000971627 0.002318745 0.002334982 0.002422883 0.002632942 0.002566248 0.00187939 TG(O-18:2_18:2)+NH4 0.009160889 0.007010385 0.00290786 0.004367602 0.004685526 0.006402422 0.000319019 0.000836266 0.00060664 0.000655199 0.000562682 0.000547062 0.002428485 0.001906601 0.00237146 0.001394666 0.001771088 0.002242899 Hex1Cer(t17:0_23:1)+H_1 0.03245215 0.035245602 0.024751647 0.028838605 0.033759763 0.030516438 0.009728658 0.011381954 0.010013087 0.008520372 0.009486975 0.008000864 0.018339138 0.019882325 0.020122851 0.020665328 0.024904304 0.015971385 TG(17:1_20:5_20:5)+NH4_1 0.175062155 0.188960354 0.092782167 0.134050686 0.131277502 0.152202078 0.008792239 0.016402972 0.01371069 0.008819756 0.013988485 0.008111607 0.026706858 0.034643816 0.038730867 0.044029213 0.038488333 0.029853425 PC(18:1_20:4CHO)+H 0.004431746 0.00152091 0.003938447 0.003953524 0.003551913 0.002786672 0.001222662 0.00161117 0.00161302 0.001599364 0.001760758 0.00137138 0.003390373 0.003452885 0.0032981 0.003966617 0.003788017 0.002434147 Cer(d16:1_24:1)+H 0.001177348 0.001421475 0.000425781 0.000627758 0.000614142 0.001129847 0.000106777 8.62E-05 4.91E-05 6.57E-05 0.000104829 4.50E-05 0.000244262 0.000268008 0.000316339 0.000417045 0.000354882 0.000425641 TG(14:0_16:1_17:1)+NH4 0.260393959 0.312260618 0.180489725 0.25306224 0.303355882 0.244545623 0.055954398 0.09908752 0.085121744 0.064986991 0.083444191 0.064280424 0.1720132 0.180420247 0.202190559 0.242653439 0.229013199 0.157058059 PC(20:5_17:0)+Na 0.006623267 0.009241001 0.006853773 0.007333944 0.008203384 0.005705892 0.001610817 0.002085096 0.001852034 0.001173422 0.001097928 0.001238892 0.004168465 0.002789795 0.003732241 0.003444817 0.004259018 0.004009723 DG(18:2_18:2)+NH4 0.008834243 0.006714324 0.002921998 0.004369357 0.004687856 0.006403898 0.00034347 0.000891608 0.000606922 0.00061914 0.000562055 0.000543859 0.002433231 0.001909034 0.002373558 0.001394956 0.001777098 0.002244842 TG(6:0COOH_18:2_18:2)+Na_1 0.002992775 0.003287752 0.002305427 0.002638581 0.002601962 0.002704087 0.002913279 0.002346035 0.001748432 0.0022007 0.00238165 0.001861467 0.004406693 0.003740971 0.00369197 0.004331014 0.004746609 0.003987086 Hex1Cer(t17:0_23:1)+H_2 0.002754397 0.002403149 0.001452232 0.001797518 0.002698196 0.002356148 0.001629921 0.001489086 0.001320368 0.001452627 0.0017641 0.001287458 0.00275843 0.002874454 0.002695238 0.002882626 0.003594191 0.002446756 PC(29:5_10:0COOH)+H_1 0.002599802 0.000441024 0.003074234 0.002911475 0.002222198 0.001804126 0.000637709 0.000932854 0.000798639 0.000769239 0.001055057 0.000518933 0.002398118 0.002658602 0.00175833 0.002916783 0.0022013 0.001968771 Hex1Cer(t17:0_26:1)+H_2 0.015116387 0.014324964 0.008819587 0.011955873 0.014396846 0.013052571 0.002629913 0.003296069 0.002799023 0.00269294 0.004198949 0.002232808 0.006142707 0.006951393 0.008070954 0.008371116 0.007991224 0.005709874 PC(17:1_20:5)+Na_1 0.040943156 0.06006564 0.041399281 0.038272663 0.058147989 0.052832511 0.014889286 0.024308388 0.018769737 0.014110511 0.020212903 0.015299437 0.032151446 0.032599649 0.034824641 0.040870547 0.038818694 0.032610638 TG(22:0_18:1_19:1)+NH4_2 0.045955181 0.053792459 0.027123169 0.042594845 0.057491991 0.041279082 0.006273778 0.011734551 0.010526624 0.008043725 0.010587336 0.00767044 0.018914196 0.019095451 0.021419938 0.023710139 0.024305969 0.016931021 PE(17:0_20:3)+H 0.032857298 0.03803052 0.022895828 0.031154775 0.040112218 0.030796981 0.00408739 0.007648497 0.00681003 0.00678309 0.00771015 0.003422528 0.012611647 0.013253688 0.013115859 0.016223077 0.016781608 0.013757778 TG(15:1_17:1_20:5)+NH4 0.042373917 0.042601597 0.021812269 0.033932362 0.043794703 0.033967408 0.003943786 0.007578361 0.007090384 0.005273925 0.007038738 0.004947351 0.014573492 0.017245659 0.019685036 0.024429638 0.02021514 0.015355413 TG(17:1_20:3_20:5)+NH4 0.131871767 0.148821763 0.07908611 0.11068175 0.118496785 0.116996294 0.013959587 0.020843019 0.018737395 0.014091123 0.019544619 0.013161179 0.031981521 0.037075286 0.038235054 0.046642829 0.043153178 0.032455733 TG(14:0_16:0_17:0)+NH4 0.007225914 0.040578984 0.00859034 0.007375048 0.044241571 0.007937141 0.00598384 0.006365674 0.004756501 0.005025922 0.005455564 0.004853895 0.010939461 0.009258781 0.00955248 0.012064204 0.01276316 0.009383505 AcCa(16:1)+H_1 0.007520891 0.007751793 0.004792193 0.005874129 0.006466818 0.006723452 0.001035671 0.001171962 0.001086564 0.000518904 0.000553599 0.000918065 0.002438809 0.003167563 0.002084867 0.003367543 0.003004059 0.00238432 TG(18:0CHO_18:1_18:1)+NH4_1 0.015652804 0.011677954 0.00923981 0.011809835 0.011798402 0.012767279 0.000376862 0.001053122 0.000891201 0.000512926 0.000839655 0.000731799 0.001877515 0.002096696 0.002284952 0.001905764 0.002493329 0.001586643 TG(15:1_17:1_16:3)+NH4 0.05551221 0.064183539 0.03830699 0.054190857 0.057738746 0.049719233 0.005464503 0.013060899 0.010440459 0.008631491 0.011792383 0.007407486 0.02172258 0.026076434 0.032246867 0.034620865 0.033631673 0.024747919 DG(20:3_20:4)+NH4 0.01507657 0.008500359 0.004460759 0.005185371 0.005948732 0.006899112 0.000379218 0.001398105 0.000908205 0.000708203 0.001039582 0.000680948 0.003419579 0.002813214 0.003225939 0.002431405 0.0020637 0.003102548 TG(27:0_17:1_20:5)+NH4 0.002502669 0.00368816 0.001970764 0.002365105 0.00282469 0.002370503 0.000123279 0.000257036 0.000194206 0.000163237 0.000243609 0.000187835 0.000657274 0.000641442 0.000765668 0.000955715 0.000682568 0.000506021 TG(14:0_15:0_16:0)+NH4 0.014400395 0.015309348 0.011087323 0.016170486 0.017268724 0.015090493 0.003027568 0.003796731 0.003446572 0.002735437 0.003192233 0.003021978 0.008959263 0.007846128 0.010287187 0.012540577 0.011374849 0.007457674 TG(15:0_17:1_18:1CHO)+NH4_1 0.011221336 0.009581411 0.005741631 0.011305876 0.009558663 0.010137572 0.00040804 0.000884948 0.000873685 0.000613296 0.000967921 0.000604834 0.002087163 0.001908576 0.002521903 0.00286928 0.002041162 0.001797857 PC(17:1_20:4)+Na_1 0.010534336 0.014548875 0.011138229 0.011761343 0.015672297 0.010715155 0.003545087 0.0055951 0.003958689 0.003317817 0.005027517 0.003113767 0.009532908 0.008575319 0.009465628 0.012654558 0.011550952 0.009008228 PE(P-18:0_18:2)+H 0.295496449 0.323235346 0.207932181 0.23388114 0.299143865 0.257944659 0.044517936 0.07798346 0.053937465 0.050208743 0.066286603 0.04448635 0.10632748 0.115354217 0.139066046 0.137647047 0.144599196 0.108599671 TG(19:1_15:0_18:0CHO)+NH4 0.01807354 0.01684243 0.009269284 0.017488895 0.015337081 0.016834905 0.000379966 0.001213484 0.000785697 0.000972309 0.000966963 0.000643117 0.00227024 0.002727727 0.003447239 0.003826189 0.00371276 0.002592029 PE(P-18:0_20:5)+H 0.193475423 0.21530041 0.166317808 0.1557009 0.192947106 0.165870381 0.017316303 0.037323939 0.025217567 0.02110925 0.033522091 0.020216343 0.058643868 0.060374857 0.07975718 0.084325593 0.081718202 0.062684656 PC(20:4_18:0COOH)+H 0.000975275 0.0002377 0.000956615 0.000745937 0.000670265 0.000355759 0.000114582 0.00020084 0.00034214 0.000275524 0.000143797 0.000293805 0.001004352 0.0010716 0.000881615 0.001216938 0.00103503 0.000589152 TG(9:0_15:0_17:0)+NH4 0.006895021 0.006552387 0.003034524 0.006155905 0.006415043 0.006162153 6.97E-05 0.000218782 0.000195629 6.54E-05 0.00024116 0.000108016 0.000793519 0.001052699 0.001241797 0.001696008 0.001308286 0.000971538 PC(20:1COOH_17:3)+H 0.003696027 0.001035551 0.003340148 0.003921086 0.003048435 0.002510252 0.001120918 0.001132801 0.000879706 0.000832197 0.001188766 0.000604443 0.002580326 0.003275438 0.002925205 0.003707812 0.003859024 0.002235598 TG(15:0_14:1_17:1)+NH4 0.208401032 0.211281766 0.131045307 0.198115145 0.201932243 0.189867253 0.017957368 0.049589576 0.046675953 0.034613014 0.045238605 0.032790793 0.085752802 0.089114325 0.113724323 0.118802278 0.11365503 0.084324492 DG(18:1_20:3)+NH4 0.025406194 0.018659252 0.008550796 0.012663161 0.01332666 0.016856874 0.001930829 0.003357481 0.002339327 0.001887164 0.002802861 0.002011408 0.00796367 0.006195279 0.008622489 0.005889081 0.005289331 0.00741021 DG(19:1_20:5)+NH4_2 0.006682445 0.005995955 0.002963068 0.003983103 0.004226258 0.005542977 0.000438922 0.000721108 0.000667369 0.000341289 0.000417163 0.000436228 0.00192427 0.001207183 0.001608731 0.001289754 0.001300113 0.001552039 Hex1Cer(t17:0_21:1)+H 0.016276119 0.017973326 0.013358673 0.015902774 0.019908571 0.016052168 0.004333821 0.005724086 0.004234372 0.004483398 0.003157261 0.005019461 0.010820043 0.009939438 0.009153241 0.010686321 0.012833059 0.008114503 TG(16:0_17:0_20:0)+NH4 0.013206711 0.01424928 0.009837348 0.013088243 0.014363889 0.013822105 0.001781253 0.003170621 0.002922467 0.00213763 0.00311293 0.002212301 0.00526304 0.006623057 0.006858228 0.006359356 0.00771426 0.00494627 DG(18:1_17:2)+NH4 0.004546206 0.003885233 0.00186589 0.003010812 0.002898857 0.003790487 0.000455048 0.000537846 0.00042394 0.000365923 0.00043054 0.000456291 0.001770782 0.001193201 0.001436701 0.001058371 0.001068465 0.001365389 DG(18:2_20:3)+NH4 0.008715528 0.006451995 0.002559856 0.003608456 0.004102261 0.005397879 0.000565938 0.000964276 0.000748242 0.000653641 0.000518828 0.00053293 0.00251121 0.001805439 0.002700697 0.001740729 0.001789568 0.002584051 TG(17:0_18:0CHO_17:1)+NH4 0.015160696 0.013705003 0.007543279 0.013780457 0.013522829 0.01196367 0.000407674 0.001000266 0.000887642 0.000652115 0.000778209 0.000567714 0.001873665 0.001941324 0.002521175 0.002835221 0.00244925 0.001763514 TG(15:0_16:0_18:1)+NH4 0.161605037 0.217379385 0.167138812 0.185459017 0.211206385 0.168477012 0.082996648 0.098718563 0.092690151 0.075494152 0.083677197 0.069219504 0.135124576 0.119867056 0.152585115 0.141927286 0.163617791 0.138566396 TG(16:1_17:1_16:3)+NH4 0.101531401 0.119589005 0.067166821 0.088716058 0.105551503 0.098297127 0.00636211 0.020535564 0.017016292 0.012513212 0.01670504 0.01194616 0.036133669 0.039633657 0.045708742 0.053149339 0.04752416 0.033201636 TG(21:0_18:1_19:1)+Na 0.002111209 0.002644144 0.001964855 0.00186494 0.002318291 0.001997635 0.000663814 0.000829268 0.000711927 0.000877237 0.001018738 0.000701833 0.001327363 0.001236016 0.001245043 0.001451029 0.001399447 0.001232117 TG(5:0_17:0_18:1)+NH4_2 0.011667255 0.009680967 0.006338585 0.011415393 0.010029121 0.010045459 0.000223258 0.000601744 0.00067137 0.000249991 0.0005203 0.000414246 0.001694535 0.002282972 0.00241819 0.003005852 0.002694846 0.001589116 DG(19:1_20:4)+NH4_2 0.013308636 0.010575603 0.004695255 0.007799517 0.00868336 0.009029392 0.001857881 0.001801394 0.001585354 0.001352025 0.001686712 0.001386193 0.00325301 0.003210791 0.003745726 0.003248475 0.002530405 0.002729799 SM(d13:1_27:0)+H 0.017119708 0.016786682 0.008214605 0.012936142 0.013536655 0.013776064 0.000835309 0.001896438 0.001787473 0.001243481 0.001851558 0.001264086 0.003220674 0.003331383 0.004011524 0.004225543 0.003752001 0.002887648 TG(15:1_17:1_18:4)+NH4 0.095601801 0.099918214 0.053640574 0.078282663 0.080750509 0.088455941 0.006428104 0.018132911 0.014821368 0.009661453 0.016083894 0.010329508 0.032481769 0.034168382 0.043942181 0.043349599 0.043895075 0.028960564 Hex1Cer(t18:1_26:0)+H 0.002744132 0.002371866 0.001539928 0.002166776 0.002607952 0.002481158 0.000706838 0.001297478 0.001290359 0.001142915 0.001442388 0.001073127 0.002486871 0.001951195 0.00267046 0.002595404 0.0025648 0.00208126 DG(16:0_20:4)+NH4_2 0.002410755 0.001951389 0.000843294 0.001265237 0.001431737 0.001846632 0.000312699 0.000271809 0.000125853 0.000116806 0.000147826 0.0002281 0.000613237 0.000643877 0.000781312 0.000568149 0.000498982 0.000531308 PE(18:3_18:4)+H 0.001311907 0.001881059 0.000960215 0.001046485 0.001669195 0.001224339 1.65E-05 0.000237935 0.000143025 0.0001014 8.37E-05 7.18E-05 0.000445346 0.000440768 0.000590476 0.000775244 0.000719643 0.000619174 PE(18:2_18:2)+Na_2 0.006954343 0.008262274 0.003685648 0.004730191 0.005974512 0.005334686 0.000522655 0.001448699 0.000810044 0.000905995 0.001245786 0.000585712 0.001925772 0.002309112 0.002653663 0.002565771 0.002537767 0.002149309 PC(19:1_18:2)+Na 0.018811486 0.022796096 0.017032501 0.016731079 0.021648965 0.018422911 0.008151209 0.011649033 0.008407827 0.008731579 0.009004748 0.007873797 0.01469356 0.015700487 0.013583052 0.013190224 0.015790859 0.013808833 TG(15:0_16:1_17:1)+NH4 0.472719513 0.569712884 0.372590083 0.37048938 0.442879323 0.479933604 0.045601219 0.102634246 0.103310183 0.072095147 0.101346174 0.062478122 0.181720976 0.221470928 0.251126031 0.264004948 0.282784488 0.187216311 TG(18:1_20:3_20:5)+NH4 0.057929019 0.0781556 0.04247702 0.047109495 0.053818742 0.054301652 0.00514117 0.007861532 0.008184625 0.006008842 0.011663234 0.005617283 0.017625492 0.022724364 0.025553841 0.020635894 0.021271772 0.015745874 PE(18:0_10:2CHO)+H 0.002298562 0.000410264 0.001432186 0.002162524 0.00206606 0.001471414 0.000274894 0.000477255 0.000466067 0.000421588 0.000659935 0.000354644 0.001424054 0.001302174 0.001443193 0.001507609 0.001799422 0.000936346 PC(10:1COOH_26:4)+H 0.005380774 0.001462458 0.004822482 0.004759027 0.004346624 0.003519858 0.001752543 0.001858454 0.002114701 0.00169686 0.002624681 0.00178511 0.004644396 0.004309511 0.004440127 0.004961017 0.005251386 0.003154734 TG(11:0_15:0_17:1)+NH4 0.067758264 0.064642448 0.034708224 0.064642545 0.067174802 0.061937651 0.002179046 0.005355712 0.004206083 0.003585199 0.005187078 0.00281092 0.013739889 0.015469945 0.021677411 0.024854635 0.021480377 0.01457235 TG(6:0_17:1_18:1)+NH4 0.057904437 0.055173867 0.026170477 0.047534235 0.045629042 0.0416406 0.002796027 0.004578041 0.002833415 0.002853253 0.003622725 0.002731792 0.007918931 0.009422495 0.011925909 0.012051194 0.01196825 0.007533113 TG(13:0_15:0_15:0)+NH4 0.013890629 0.014120146 0.006832121 0.013495552 0.015107478 0.014266833 0.000200248 0.000738285 0.000832975 0.000590145 0.000691319 0.000505902 0.002129927 0.002383649 0.002972806 0.003584881 0.00310021 0.001915893 TG(26:0_19:1_18:3)+NH4 0.006983195 0.007563085 0.005002224 0.005829544 0.006711158 0.006276883 0.000349247 0.000557053 0.000537411 0.000456346 0.000790885 0.000437709 0.001892437 0.001321893 0.001750454 0.002254765 0.002084112 0.001358181 TG(17:1_17:1_18:2CHO)+NH4 0.007329976 0.002566824 0.002522914 0.004040561 0.003545319 0.003153269 0.000227484 0.000307615 0.000265608 0.000260317 0.000233829 0.000245587 0.000733563 0.000728694 0.001006392 0.001216783 0.000849943 0.000722573 TG(12:0_17:1_20:5)+NH4 0.017791807 0.022803999 0.011214454 0.017277173 0.018020983 0.018186466 0.001346018 0.003290638 0.00275475 0.001945076 0.002994304 0.002155548 0.006284013 0.007177175 0.007988613 0.010631744 0.009211801 0.006633595 TG(8:0_17:1_18:1)+NH4 0.108623847 0.107309411 0.052684845 0.092364581 0.090737829 0.093830008 0.011855219 0.018823589 0.017627335 0.010745176 0.014101733 0.010212532 0.032316607 0.035785246 0.043614081 0.05210414 0.049018185 0.034857407 PC(19:3COOH_18:3)+H 0.006077479 0.002001468 0.005479696 0.006375088 0.004978412 0.004320771 0.00148461 0.002269378 0.001945352 0.001427985 0.001589018 0.002005548 0.005490088 0.005598627 0.004719063 0.006805462 0.006696293 0.003735846 TG(17:1_18:1_19:1)+NH4_1 0.097016405 0.127082188 0.076030396 0.112239935 0.140693131 0.092636733 0.007728633 0.029618153 0.023610728 0.01911929 0.025859004 0.016218397 0.044622053 0.053478735 0.05692829 0.061568378 0.06226843 0.044948721 TG(18:1_18:3_20:5)+NH4 0.147560531 0.168458586 0.097467982 0.126660614 0.144461294 0.137277949 0.008774399 0.019454437 0.017185668 0.012443522 0.019576152 0.011501216 0.03296213 0.039284592 0.044709321 0.043626425 0.047549352 0.030478275 PE(P-19:1_18:1)+H_1 0.013077997 0.016622192 0.013142581 0.016272411 0.01900083 0.013801028 0.002540658 0.00396948 0.004266477 0.002976408 0.003738308 0.003648985 0.007197867 0.00691011 0.006383901 0.008766353 0.009699908 0.0076961 DG(20:4_20:5)+NH4_1 0.013131378 0.010816062 0.004598688 0.007169786 0.008528676 0.009270233 0.001460007 0.00190911 0.001283423 0.001111663 0.001346157 0.001049516 0.005469677 0.003904844 0.005361082 0.003409039 0.003508446 0.005295425 DG(18:1_18:1)+Na 0.008580383 0.009360673 0.005209812 0.00645055 0.00734413 0.007600855 0.001166023 0.002573907 0.001974414 0.001792063 0.002265415 0.001903847 0.0043616 0.003560299 0.004243334 0.003518378 0.00340331 0.003974978 TG(16:0_17:0_18:0)+NH4 0.016674651 0.025311548 0.012893032 0.02021178 0.023668313 0.014814014 0.003594567 0.005236843 0.005230009 0.003479308 0.006450676 0.003783364 0.009896343 0.011693916 0.010541228 0.011311423 0.013654845 0.008644032 TG(15:1_17:1_18:2)+NH4 0.355343847 0.396520424 0.254671036 0.324728916 0.375560998 0.334411659 0.038566154 0.096751585 0.086355176 0.063085386 0.088649948 0.062297646 0.149676838 0.162181666 0.173926841 0.1969203 0.198023334 0.14137602 PC(19:1_17:0)+Na 0.002783691 0.003670011 0.001810386 0.002646423 0.002674764 0.002980005 0.001142452 0.000955961 0.000748231 0.000561822 0.00068534 0.000635921 0.001870134 0.001916468 0.001666146 0.002024429 0.002002577 0.001355534 PE(18:1_20:4)+Na 0.002245984 0.002541895 0.001730524 0.002018987 0.002019152 0.001778187 0.000132082 0.000363189 0.000192569 0.000145554 0.000245055 0.000215765 0.00072538 0.000836326 0.000828081 0.001233035 0.000919504 0.000668657 TG(5:0_18:1_19:1)+NH4 0.06853024 0.06278967 0.032012684 0.050724664 0.059944401 0.062363626 0.003021153 0.00483279 0.005937283 0.003070359 0.006611851 0.002912218 0.014193227 0.018437787 0.019264791 0.018622275 0.028220481 0.017506249 TG(5:0_16:1_20:5)+NH4 0.001647506 0.001408664 0.000767185 0.001240453 0.001144659 0.001952802 0.000100975 7.56E-05 7.77E-05 9.14E-05 5.48E-05 0.000542093 0.000524164 0.000924019 0.000732399 0.000651315 0.00052266 TG(18:1_18:2_20:5)+NH4_1 0.217227745 0.236012337 0.148257697 0.191135482 0.174350789 0.195581347 0.017417207 0.034109641 0.029722147 0.019480472 0.036635382 0.016694912 0.057344661 0.065487838 0.069092688 0.075080252 0.065676122 0.049526354 TG(12:0_14:0_16:0)+NH4_1 0.018452737 0.017543038 0.009358468 0.018457153 0.016494762 0.01694344 0.000278573 0.000403145 0.000242804 0.000535894 0.000360992 0.000299195 0.003249513 0.003500473 0.004543975 0.001869351 0.002417231 0.0035573 TG(14:0_17:1_20:5)+NH4 0.077511893 0.085183419 0.052491604 0.070789611 0.077478785 0.075076179 0.005551552 0.012055964 0.010684367 0.006956943 0.010503065 0.007515517 0.021509837 0.024308519 0.02829779 0.035533624 0.03046356 0.021908987 AcCa(13:1)+H 0.017860769 0.025151692 0.013108046 0.017623767 0.019075252 0.021377342 0.003954453 0.003357833 0.003014575 0.002732288 0.0023847 0.002278946 0.006385686 0.007552792 0.008151966 0.010640689 0.008385987 0.006594689 PC(18:2_17:1)+Na 0.033662793 0.053599352 0.030875846 0.033592526 0.041701657 0.03350237 0.01547067 0.022103833 0.015769264 0.016962161 0.019571618 0.016488558 0.031872351 0.025222219 0.029678467 0.029998817 0.026428721 0.027575818 PE(18:0_20:5)+H 0.258925086 0.289863635 0.184986972 0.219216726 0.275676031 0.221419279 0.048821747 0.070316512 0.054648872 0.048077995 0.070583154 0.0467139 0.10569865 0.108147397 0.130115087 0.153373509 0.14190078 0.10939516 TG(14:1_15:1_18:3)+NH4 0.023332126 0.030972908 0.015336706 0.022229089 0.019854371 0.022410908 0.002277208 0.006191786 0.004653118 0.00368955 0.005475485 0.00352585 0.008971241 0.011024483 0.012735837 0.013438405 0.013478655 0.009579997 PC(28:4_10:2CHO)+H 0.009472187 0.002115121 0.004951141 0.008404566 0.007839873 0.004591005 0.001817784 0.00371789 0.002735 0.003116809 0.003071068 0.0025987 0.006269247 0.007231552 0.006128988 0.005651016 0.007434299 0.004871088 DG(18:2_20:4)+NH4_1 0.010887242 0.008308497 0.003632842 0.005392488 0.006135564 0.007946436 0.000548011 0.001398062 0.000874866 0.00069803 0.000938073 0.000737144 0.002594623 0.002204813 0.002928121 0.001993028 0.001875369 0.002670778 TG(5:0_15:0_17:1)+NH4_2 0.003007705 0.002880369 0.001963912 0.003192371 0.002537238 0.003696662 4.78E-05 8.27E-05 6.51E-05 0.000100446 0.000110314 8.09E-05 0.000433689 0.000455827 0.000594179 0.000786232 0.000641564 0.000369855 PE(P-19:0_20:4)+H_1 0.006580463 0.008358641 0.004763993 0.006637937 0.007396654 0.007213212 0.000819306 0.001110152 0.000912923 0.000587312 0.000835612 0.000717298 0.002008154 0.00196322 0.002041532 0.002802689 0.002944914 0.001951218 PC(15:0_17:1)+Na 0.010481618 0.016119174 0.011019073 0.010517233 0.014930831 0.01168479 0.005358457 0.005755408 0.004840367 0.004722662 0.005679139 0.004716965 0.010407648 0.008741207 0.010431683 0.012298603 0.011641186 0.007987274 PE(18:0_20:4)+H_1 0.059844376 0.067210133 0.047318687 0.047012316 0.062810284 0.052223816 0.022939676 0.026907993 0.01893511 0.017319055 0.025902414 0.018110594 0.04462516 0.041262994 0.05651722 0.058788847 0.063871977 0.044755721 PC(15:0_18:1)+Na 0.012712255 0.017589084 0.01322064 0.013951314 0.016372103 0.012679227 0.004212823 0.006190325 0.006323313 0.005628228 0.007165249 0.005366906 0.009582587 0.008961081 0.010001939 0.01152991 0.010807414 0.009107412 TG(9:0_15:0_18:1)+NH4 0.025277039 0.025511315 0.012074625 0.023163729 0.020183598 0.022105612 0.000218401 0.000665994 0.000686075 0.000512147 0.000609633 0.000369092 0.003014854 0.002973601 0.005039998 0.005461158 0.00457897 0.002885999 TG(14:0_18:2_20:5)+NH4 0.076443339 0.115450765 0.050512533 0.086604112 0.068864551 0.097563624 0.003762216 0.010649738 0.010074869 0.007110114 0.008014931 0.005567334 0.018744009 0.026786425 0.029468946 0.033479028 0.032779433 0.021048951 TG(17:1_17:1_18:1CHO)+NH4_1 0.014881252 0.008308835 0.006763695 0.012987191 0.01206474 0.01031016 0.000462716 0.00109105 0.000724899 0.000835893 0.000958419 0.000610824 0.001786806 0.001898099 0.002530432 0.002651951 0.002096282 0.001729299 TG(15:0_18:1_18:3)+NH4 0.402146239 0.44892237 0.31546116 0.365359583 0.454141586 0.397725201 0.056820944 0.136834048 0.10828834 0.087529362 0.110904306 0.082378055 0.193574925 0.19921663 0.206698079 0.23702324 0.23955233 0.173207664 DG(18:1_20:4)+H 0.008428354 0.009464509 0.00528391 0.006370605 0.007893812 0.007913459 0.001177536 0.002576176 0.002119604 0.001849106 0.002353013 0.001909668 0.004378323 0.003579975 0.004260602 0.00355102 0.003395827 0.003984422 PE(20:4_21:0)+H 0.00131444 0.001539933 0.000950844 0.001138071 0.001420618 0.001056653 0.000376937 0.000521153 0.000383075 0.000281306 0.000325243 0.00035093 0.000950865 0.000860347 0.000900015 0.001219136 0.001240529 0.000773635 TG(35:1_19:0CHO)+NH4 0.006649584 0.007062297 0.004398349 0.006018405 0.006420937 0.00572364 0.000144688 0.000390972 0.000498498 0.000242293 0.000457142 0.000249663 0.000760426 0.001196788 0.001457417 0.001362964 0.001379865 0.001043474 AcCa(17:0)+H_2 0.02211715 0.021143196 0.008565269 0.01617908 0.015687157 0.02142279 0.002201825 0.002181581 0.002188857 0.001914068 0.002068345 0.001901094 0.003831044 0.006266399 0.005753132 0.006095174 0.00486752 0.004101391 TG(13:0_14:1_15:1)+NH4 0.03835129 0.035587078 0.020873226 0.030492633 0.034177397 0.031616413 0.002345151 0.00481246 0.003947938 0.003347272 0.004228866 0.003311349 0.010073063 0.010082943 0.013377076 0.012889198 0.011512888 0.007084637 TG(17:0_17:1_18:4)+NH4 0.386196322 0.445153096 0.302041189 0.341589233 0.421142189 0.366977026 0.047421857 0.09679201 0.086211192 0.070696066 0.089894593 0.062305244 0.14515178 0.163527752 0.169386774 0.200260175 0.183981273 0.133393418 TG(26:0_19:1_18:2)+NH4 0.008606529 0.009418368 0.008492549 0.006797793 0.008445765 0.010769013 0.000339423 0.00056473 0.000485026 0.0003804 0.001320145 0.000334556 0.003389238 0.002303516 0.003423331 0.002838337 0.002782518 0.001745542 AcCa(15:1)+H 0.021263853 0.023915438 0.010722599 0.018252647 0.014027595 0.022688088 0.003694587 0.00320461 0.003292593 0.002972205 0.003115286 0.002999462 0.004773598 0.006900642 0.007503957 0.008512105 0.006883261 0.006650014 TG(17:1_17:1_16:3)+NH4_1 0.213442355 0.21791027 0.141237068 0.189249379 0.227332104 0.202515636 0.015418431 0.041415076 0.027371845 0.025913787 0.033915901 0.024420348 0.059132012 0.078456276 0.091045735 0.102597634 0.097915899 0.070731047 Hex1Cer(d17:1_26:1)+H 0.00111639 0.00102711 0.000622246 0.000916425 0.001057186 0.000888603 0.00024647 0.000280837 0.000193889 0.000213753 0.000359221 0.000152697 0.000497059 0.000527303 0.000518599 0.000550054 0.00066296 0.000455251 TG(7:0_15:0_17:1)+NH4 0.013654014 0.013815755 0.006303272 0.012609612 0.011155981 0.012553983 0.00014554 0.000330854 0.000372469 0.000283945 0.000425591 0.000308832 0.001748874 0.001960026 0.002688133 0.003381698 0.002149323 0.001632548 PE(P-19:0_20:4)+H_2 0.005264902 0.007307652 0.004630866 0.005814909 0.007133453 0.006216104 0.00105545 0.001494405 0.00118809 0.000949283 0.00105972 0.001144604 0.003247404 0.002678784 0.002622568 0.003702987 0.004377589 0.002794983 PC(17:1_18:3)+Na_2 0.007154374 0.00901201 0.007665152 0.006748104 0.009453057 0.007216626 0.004636024 0.005992223 0.004250151 0.004659426 0.00516977 0.004150011 0.008806172 0.007562148 0.00792519 0.009034272 0.009784678 0.007073355 Hex1Cer(d18:2_24:0)+H_2 0.001858889 0.002133755 0.001469434 0.001652766 0.002001278 0.001564485 0.000587198 0.000498679 0.000450774 0.000352392 0.000599622 0.000389777 0.001001413 0.001089136 0.001126807 0.001348166 0.001325056 0.000831373 TG(17:1_17:1_16:3)+NH4_2 0.213442355 0.21791027 0.141237068 0.189249379 0.227332104 0.202515636 0.015418431 0.041415076 0.034742177 0.025913787 0.033915901 0.025053683 0.060942752 0.078456276 0.091045735 0.102597634 0.097915899 0.070731047 TG(O-16:1_18:1_5:0)+NH4 0.001383892 0.002413973 0.000758909 0.001196677 0.001333639 0.002324629 0.00017889 0.000317502 0.000267515 0.000187305 0.000253939 0.000196999 0.000431169 0.000445286 0.000504026 0.000399131 0.000382861 0.00045015 TG(6:0_15:0_17:1)+NH4 0.009658208 0.011114303 0.004913205 0.008877092 0.009460834 0.009981341 0.000230991 0.000479344 0.000368622 0.000264083 0.000440218 0.000247485 0.001508992 0.001676042 0.002279025 0.002663525 0.001892656 0.001241616 TG(18:0CHO_17:1_19:1)+NH4_2 0.027196903 0.019315196 0.01319394 0.021128917 0.028423343 0.021302313 0.000865286 0.001550162 0.001532973 0.001299914 0.001918386 0.001312209 0.003971261 0.003466595 0.004714872 0.00535729 0.005164646 0.003069375 AcCa(19:1)+H 0.053131521 0.042583292 0.019741675 0.039563439 0.033304452 0.047400378 0.006165751 0.005055352 0.004571212 0.003162631 0.004646579 0.00310214 0.009464604 0.012674533 0.013257513 0.015082253 0.010938744 0.009401939 DG(18:1_20:5)+H 0.001961308 0.001231844 0.000969777 0.000991429 0.001160377 0.001314387 0.000174355 0.000313308 0.000212878 0.000182982 0.000358354 0.000153135 0.000611922 0.000478361 0.000716416 0.000500209 0.000562661 0.000624351 Hex1Cer(t17:0_22:1)+H 0.164095327 0.156073554 0.101974082 0.125796157 0.162788213 0.142562023 0.038107496 0.059567678 0.048770526 0.043566755 0.059860788 0.039019374 0.080126493 0.087482427 0.09577749 0.099627476 0.102596208 0.075702769 PC(18:3_20:2CHO)+H 0.005273923 0.000633727 0.005335678 0.005430047 0.002635213 0.002794501 0.001371332 0.001856896 0.001912164 0.001714117 0.002813917 0.001509566 0.004882409 0.004591202 0.004031292 0.004663311 0.004882929 0.003076181 DG(20:1_20:4)+NH4 0.001461641 0.001017017 0.000374797 0.000714643 0.000730284 0.001624527 4.48E-05 7.39E-05 9.67E-05 6.52E-05 6.50E-05 5.02E-05 0.000292704 0.000225913 0.000330594 0.00019142 0.000191229 0.000210295 AcCa(22:0)+H 0.004411392 0.005464644 0.00221103 0.003733545 0.003405686 0.004781038 0.000545885 0.000568332 0.000551863 0.000604842 0.000632754 0.000607311 0.000981742 0.001113265 0.001249146 0.000927021 0.001019483 0.000826414 TG(18:1_18:1_18:2CHO)+NH4 0.010443673 0.004518046 0.004392505 0.009458785 0.008233784 0.006129937 0.000275244 0.00039845 0.000425617 0.000465052 0.000842168 0.000305105 0.001426742 0.001405446 0.001775589 0.001742232 0.002306636 0.001308124 TG(18:0CHO_18:1_18:2)+NH4 0.017150043 0.011646892 0.006958988 0.013683161 0.013653488 0.011439921 0.000592276 0.001005252 0.001002658 0.00077937 0.001150769 0.000821892 0.001953732 0.002423097 0.002670888 0.002611315 0.002673478 0.001571087 PE(22:0_18:2)+H 0.020374305 0.025017677 0.015317061 0.0163422 0.022682235 0.020090395 0.003129149 0.005544 0.004256437 0.004239391 0.00526928 0.003493009 0.008231481 0.008506372 0.011217646 0.010899047 0.010507889 0.007660953 Hex1Cer(d17:1_23:1)+H 0.003114389 0.002950738 0.002289785 0.002838633 0.003396573 0.002710307 0.000835624 0.001063892 0.000836448 0.00074009 0.000880326 0.00079512 0.001760306 0.001763544 0.001680422 0.001494405 0.002252978 0.001456702 TG(18:4_20:4_20:5)+H 0.001769642 0.00283567 0.001755113 0.001639074 0.002052134 0.002201795 0.00024249 0.000633139 0.000551918 0.000367647 0.000549356 0.000473572 0.000833701 0.000933543 0.000989172 0.00102925 0.001130942 0.000915801 TG(16:0_18:1_18:1CHO)+NH4 0.02189996 0.020983917 0.011269857 0.018839831 0.019091079 0.017192666 0.000683324 0.00144999 0.001488084 0.001214641 0.001871083 0.001151535 0.002954479 0.003816964 0.004385383 0.004589127 0.004845306 0.002954063 TG(15:0_14:1_20:5)+NH4 0.024974978 0.021971684 0.011697843 0.017877923 0.018456461 0.01926642 0.00126768 0.004783515 0.003575055 0.002681157 0.004566619 0.002532039 0.007033319 0.008582448 0.009909388 0.010189112 0.009679472 0.007167691 PC(16:0_18:1)+Na 0.008495294 0.009950612 0.011629111 0.0078127 0.009339775 0.008142535 0.007685761 0.006220579 0.00595015 0.005732606 0.006112703 0.005752236 0.009252332 0.009469014 0.00927274 0.008198978 0.01073807 0.00924298 DG(18:3_20:5)+NH4 0.01748638 0.014293593 0.007371504 0.009415896 0.011359361 0.013222292 0.001402675 0.003275021 0.002204953 0.001687589 0.002240124 0.001759784 0.005482108 0.003976828 0.006142087 0.004603934 0.004552826 0.005403849 TG(21:0_17:1_17:1)+NH4 0.350904271 0.434265064 0.305141575 0.347290347 0.39922325 0.357299646 0.064320177 0.10397641 0.084115666 0.072648635 0.098983893 0.070941357 0.148855278 0.16651758 0.166875254 0.187914507 0.204939261 0.134743018 DG(17:1_17:2)+NH4 0.003078117 0.001953312 0.000941397 0.002102611 0.001517361 0.002123575 0.000260332 0.000286501 0.000257136 0.000257038 0.000314124 0.000342863 0.000852728 0.000469939 0.000832646 0.00079196 0.000622839 0.000810369 PC(20:5_19:4)+H_1 0.0113121 0.012655874 0.007299286 0.009558998 0.010907506 0.011160476 0.000138021 0.000558531 0.000287537 0.000131598 0.000349661 0.000116729 0.001441901 0.001260308 0.001925858 0.002562917 0.001581543 0.001453028 TG(16:0CHO_17:1_18:1)+NH4 0.012110844 0.009613316 0.005722345 0.01101754 0.009156452 0.009326559 0.000535284 0.000984788 0.000911505 0.0005504 0.000643662 0.00048879 0.001913553 0.002118424 0.002936288 0.00303068 0.002566612 0.001683577 PE(16:0_20:4)+H 0.018884058 0.020535709 0.013390522 0.016314541 0.021006238 0.016477894 0.006642639 0.008057278 0.005310178 0.005363008 0.007228575 0.004936194 0.0117206 0.011172582 0.015115653 0.016233753 0.016193128 0.012199706 PC(17:0_17:1)+Na 0.002793179 0.003620041 0.002700833 0.003196298 0.00318607 0.003324407 0.00143938 0.000964912 0.000825479 0.000689382 0.000750976 0.000813188 0.002551098 0.001906424 0.002137256 0.002651486 0.002888105 0.001880436 LPE(20:5)+H_1 0.040401568 0.026162406 0.024448821 0.034014926 0.036189511 0.033249203 0.005774604 0.009269269 0.008246598 0.006028704 0.00944577 0.007341254 0.016345781 0.016561162 0.018767779 0.022890759 0.022276153 0.014211444 PC(18:2_18:2)+Na 0.009805369 0.012270606 0.011007541 0.007469385 0.010707334 0.007574893 0.002308929 0.006251112 0.004070853 0.004814935 0.004591841 0.00387141 0.010916822 0.010740062 0.00924323 0.007440185 0.011488209 0.009462548 PE(15:0_18:3)+H 0.018294321 0.019748053 0.011167976 0.015218082 0.021315556 0.01710626 0.000976851 0.002745266 0.002589017 0.002039619 0.00292785 0.002163418 0.005939294 0.004837923 0.007074518 0.008555748 0.007968846 0.0058564 PE(20:4_20:0)+H 0.003480867 0.003356122 0.0018493 0.002646902 0.003398685 0.002795734 0.000847524 0.001384675 0.000967662 0.000871984 0.001216602 0.000907924 0.002105462 0.001907689 0.002245993 0.002799619 0.002666467 0.001912852 TG(19:1_18:2_20:5)+NH4 0.106405272 0.126536769 0.083441223 0.09876022 0.111068088 0.100871661 0.018371426 0.027171661 0.022962398 0.017409787 0.023202338 0.01594935 0.034108479 0.043202036 0.039645966 0.042670231 0.04366678 0.032324304 TG(20:0_17:1_19:1)+NH4 0.295750498 0.305570723 0.126621992 0.260724371 0.322328626 0.281124338 0.040611052 0.070707231 0.059902344 0.049858151 0.068840143 0.044280863 0.103203284 0.117171613 0.120200322 0.135254695 0.136263923 0.091025014 DG(17:1_18:2)+NH4 0.023629071 0.019033627 0.009924134 0.014075394 0.014708473 0.020222565 0.001576112 0.002747914 0.001595928 0.001372104 0.001919715 0.001557724 0.005179836 0.004833306 0.007848785 0.004691075 0.004814004 0.005329943 TG(17:0_26:0_17:1)+NH4 0.012447816 0.00805137 0.005406192 0.00645937 0.008811149 0.0075326 0.000636156 0.000973907 0.001950548 0.000784605 0.000895508 0.00065476 0.002522693 0.002969087 0.003350272 0.003193225 0.002948609 0.002136606 PE(18:2_20:0)+Na 0.02718217 0.029287157 0.019270131 0.021088333 0.027528378 0.023340006 0.003785963 0.007853523 0.005133202 0.005146271 0.007090815 0.004546424 0.01039443 0.010782901 0.012876518 0.014482751 0.013392391 0.010628536 AcCa(21:0)+H_1 0.002613448 0.002568876 0.00146187 0.002122784 0.002080892 0.002448006 0.000417098 0.00032812 0.000364886 0.000251176 0.000523364 0.000380449 0.00077198 0.000994103 0.001148433 0.000997639 0.000969962 0.000671371 PC(16:1_18:1)+Na 0.027585542 0.03247843 0.023180663 0.026012325 0.021416207 0.027445758 0.00626107 0.008910674 0.008171081 0.008383781 0.010390972 0.007708557 0.013983458 0.012892409 0.013637827 0.017053726 0.014891288 0.012723646 PE(21:0_18:2)+H 0.017135302 0.019767716 0.014402233 0.014825246 0.01929795 0.016619905 0.003020291 0.005737276 0.00402378 0.004047214 0.004313071 0.004234885 0.009069369 0.008064176 0.008132661 0.009618248 0.011045647 0.007080736 TG(15:1_16:1_17:1)+NH4_1 0.243742091 0.278580946 0.177259386 0.220776854 0.25725161 0.23595279 0.099346211 0.181995741 0.142265262 0.165309265 0.170313925 0.126368245 0.238116513 0.255239974 0.259173491 0.280860156 0.299296898 0.230819332 PC(20:5_19:4)+H_2 0.00652544 0.007265388 0.00515411 0.006901662 0.007806582 0.006212434 0.000265964 0.000759219 0.000400332 0.000343104 0.000504486 0.000311593 0.001955886 0.001843472 0.001925794 0.003184642 0.001697395 0.001786895 PE(17:0_20:4)+H_1 0.027771241 0.029392681 0.018318547 0.02488954 0.031115677 0.022994518 0.006613725 0.011501317 0.00816123 0.007353376 0.009634807 0.007912056 0.016667326 0.014923481 0.017023575 0.020937666 0.021457159 0.015461013 TG(15:0_14:1_16:1)+NH4_1 0.02621568 0.023547107 0.01502801 0.020929908 0.02695466 0.019620951 0.00387716 0.00367444 0.003323813 0.002445309 0.001894438 0.002562746 0.007327686 0.008206308 0.009429602 0.012429975 0.012764756 0.00834424 TG(17:1_17:1_18:2)+NH4_1 0.459501297 0.590937863 0.454166024 0.448126802 0.566430787 0.484172306 0.090281156 0.191254559 0.168176618 0.154031073 0.192738064 0.129912736 0.279818864 0.275374905 0.300153602 0.293307187 0.334594041 0.250955026 DG(19:1_20:5)+Na 0.010856704 0.011170349 0.005001547 0.006947838 0.008284932 0.009069185 0.001733868 0.002486777 0.001745798 0.001479699 0.001673397 0.001526441 0.003068831 0.003002516 0.003906905 0.003341376 0.002847749 0.003640716 TG(14:1_14:1_20:5)+NH4 0.003319431 0.003490243 0.001743893 0.002572778 0.002292555 0.002333726 0.000158899 0.000415566 0.000442685 0.000175565 0.000499079 0.000185675 0.000815958 0.000876017 0.001357875 0.001086684 0.001215635 0.000917579 TG(21:0_19:1_20:4)+NH4 0.009019678 0.011472923 0.008423479 0.0089052 0.010296343 0.007979962 0.001413299 0.002410583 0.001222573 0.001727933 0.002006484 0.001539645 0.003179342 0.003374512 0.004090765 0.004207231 0.003681688 0.002923499 AcCa(21:0)+H_2 0.0022711 0.001940159 0.001336506 0.001947913 0.001892355 0.002464106 0.000460569 0.00032812 0.000391245 0.000251176 0.00049665 0.000360661 0.000814107 0.000829498 0.001094527 0.000848648 0.000786068 0.000671371 TG(6:0COOH_18:1_18:1)+Na 0.01029532 0.009116352 0.010109613 0.010068458 0.009463182 0.011194585 0.001321185 0.00331056 0.001710881 0.001797785 0.003139311 0.002349462 0.004986734 0.004883543 0.004965891 0.006189224 0.006091262 0.004445965 TG(14:0_14:0_15:0)+NH4 0.013686783 0.016612272 0.00860598 0.014475238 0.014345194 0.013101732 0.001002725 0.001173493 0.001078826 0.000870544 0.00106952 0.000929176 0.004188577 0.00373001 0.00492302 0.007281631 0.006711877 0.004104994 Hex1Cer(t17:0_24:1)+H_2 0.117214306 0.106285431 0.074515337 0.090909466 0.109264477 0.099234121 0.026079747 0.031427502 0.027329863 0.025792652 0.037146828 0.022318867 0.048662542 0.051203595 0.060497859 0.064716785 0.06715342 0.046784742 PC(16:1_15:4CHO)+H 0.004281897 0.00137848 0.003057216 0.003415709 0.003429291 0.00280614 0.000207882 0.000756693 0.000697748 0.000659948 0.000651677 0.000485605 0.002060008 0.003545473 0.002789281 0.002180268 0.003772179 0.002127403 PC(30:5_10:2CHO)+H 0.002202214 0.000485326 0.000761284 0.001786346 0.001408763 0.000839365 0.000396313 0.000327389 0.000273633 0.000162353 0.000612787 0.000422282 0.001109479 0.000938815 0.00082958 0.001102751 0.001029586 0.001433148 PE(P-17:0_18:1)+H 0.007758121 0.006802264 0.006133662 0.006031114 0.008391247 0.006372011 0.000733181 0.001984658 0.001590812 0.001410668 0.001872789 0.001455149 0.003116743 0.003041849 0.002859453 0.003998847 0.003692915 0.002941949 PC(27:3_10:1COOH)+H 0.001362835 1.48E-10 0.001143964 0.001145105 0.000934459 0.000669932 0.000443582 0.000492295 0.000450518 0.000387656 0.000490519 0.00032795 0.00130499 0.001455544 0.000993103 0.001719402 0.001735363 0.00099291 TG(14:1_17:1_18:3)+NH4 0.101531401 0.119589005 0.067166821 0.088716058 0.105551503 0.098297127 0.00636211 0.020535564 0.017016292 0.012513212 0.01670504 0.01194616 0.036133669 0.032821182 0.045708742 0.053149339 0.04752416 0.033201636 TG(19:1_20:5_20:5)+NH4_1 0.009672441 0.011397539 0.010379177 0.008308051 0.009006807 0.009910864 0.000628038 0.000843862 0.000849427 0.000624359 0.000952737 0.000590453 0.00170718 0.002639334 0.002343724 0.002004301 0.002347133 0.001410683 LPE(17:1)+H_1 0.017055633 0.014945038 0.008421425 0.012185337 0.017726424 0.014372258 0.003607846 0.005084505 0.004201489 0.004114613 0.005655445 0.00466621 0.014229718 0.010854843 0.014121528 0.010801579 0.019468223 0.012398008 PE(16:0_20:5)+H 0.132379262 0.151948318 0.09876052 0.113411498 0.140378016 0.119058717 0.03197983 0.040920363 0.027417526 0.024966185 0.033280537 0.023333594 0.058314749 0.054110503 0.07266831 0.08069634 0.075563631 0.056273574 TG(16:1_17:1_18:4)+NH4 0.122300815 0.141435429 0.075726228 0.08919488 0.107485599 0.119324934 0.004604945 0.015645441 0.017440758 0.010334442 0.017139464 0.009367052 0.028777432 0.031166056 0.03850546 0.042850377 0.048469837 0.033998312 PE(19:0_20:5)+H_1 0.025627887 0.029115613 0.016199808 0.018873129 0.025559971 0.021037571 0.003367895 0.007666852 0.005988846 0.004768188 0.006600284 0.004038726 0.009995005 0.010379518 0.011994551 0.013772288 0.013707348 0.010828129 TG(16:1_18:3_20:5)+NH4 0.054342788 0.060901242 0.031079602 0.04686759 0.047089991 0.04935284 0.001417944 0.006720647 0.004704851 0.003782739 0.006282919 0.003636842 0.011815128 0.013290266 0.016422962 0.020908188 0.017259679 0.01244923 PE(15:0_20:5)+H 0.030325999 0.032178994 0.019358367 0.025344094 0.029923254 0.026813783 0.001205561 0.004208889 0.002819431 0.002298058 0.003235672 0.002055436 0.007263986 0.007054492 0.009119633 0.011979965 0.009611511 0.007103846 TG(15:0_17:1_18:2)+NH4 0.370074281 0.437339831 0.296017126 0.300848292 0.35568499 0.33145346 0.034890003 0.10672568 0.092224924 0.062267802 0.088395503 0.067725758 0.15791631 0.163010734 0.143464103 0.164951011 0.16380332 0.132931878 PE(18:1_18:2)+H_1 0.166814432 0.175514376 0.122212437 0.132789795 0.179813473 0.142423722 0.016035357 0.044899323 0.034331319 0.032205215 0.04289153 0.029221033 0.068842975 0.061182659 0.076174149 0.079650417 0.08470743 0.061840826 TG(16:0_18:0_17:1)+NH4 0.13690214 0.187710369 0.136190171 0.149627521 0.180113054 0.150303383 0.074215965 0.093348804 0.09384461 0.080028969 0.090958546 0.072773662 0.131728516 0.127438989 0.138649829 0.144529671 0.164593478 0.115397599 LPE(18:3)+H_1 0.005767666 0.004467844 0.003415986 0.006382627 0.006697837 0.005985204 0.001192474 0.001639853 0.001730206 0.001598541 0.002072763 0.001574728 0.003417371 0.003034988 0.003695055 0.004118382 0.004270179 0.002620328 TG(17:0_17:1_18:1)+NH4_2 0.337206944 0.67062695 0.428552408 0.436201553 0.542014161 0.397807034 0.152536503 0.252570001 0.233971544 0.194333487 0.224973809 0.175140441 0.370060956 0.346653023 0.303783703 0.337208157 0.381246042 0.306590477 PE(P-20:0_18:1)+H 0.050519515 0.055124746 0.03774926 0.043645447 0.055749071 0.045991476 0.013285424 0.015861979 0.009874197 0.011872058 0.014492101 0.011101211 0.020853899 0.023128263 0.023558834 0.025909133 0.025118479 0.017978951 TG(18:0CHO_17:1_18:1)+NH4_1 0.038166258 0.022362383 0.014974467 0.021275453 0.031429072 0.029672138 0.000625228 0.001656589 0.001884975 0.001098651 0.001615252 0.001319119 0.003469835 0.003224222 0.004671864 0.003995951 0.005706983 0.003799693 PC(21:1COOH_15:2)+H 0.001310641 0.000334233 0.001600476 0.001581706 0.00174713 0.00085584 0.000483976 0.000998315 0.000660433 0.00084244 0.000924494 0.000635705 0.00239123 0.002063743 0.001875114 0.001835786 0.002157876 0.001264312 PE(18:1_18:2)+H_2 0.007020908 0.006074923 0.003916781 0.006110603 0.008161272 0.006199439 0.00080198 0.001754463 0.001712356 0.001536617 0.001856257 0.001437766 0.002552061 0.002755853 0.003098237 0.003245275 0.003341338 0.002551688 TG(24:0_17:1_19:1)+NH4 0.045204483 0.047234362 0.031866014 0.039764458 0.039525765 0.037742595 0.004478652 0.005965068 0.004662681 0.003635491 0.006970036 0.003553193 0.014959763 0.016636759 0.018152141 0.026301436 0.01882607 0.012842932 TG(14:1_17:1_20:5)+NH4 0.035582445 0.037825746 0.021756708 0.027896614 0.029803778 0.031674735 0.003183652 0.006754205 0.005344632 0.003603078 0.005971664 0.00355546 0.012500391 0.01507065 0.0158614 0.022024161 0.014962332 0.011781082 TG(27:0_18:1_18:1)+NH4_2 0.015719479 0.013806422 0.009329655 0.012961827 0.01504147 0.011796604 0.000673268 0.002360074 0.001760708 0.001618582 0.001960664 0.000974321 0.003621895 0.005976761 0.005877352 0.00733614 0.005501666 0.00443727 TG(6:0COOH_17:1_18:1)+Na 0.001634164 0.001464751 0.001067899 0.001357668 0.002241156 0.001438323 0.000184547 0.00036281 0.00022351 0.000261243 0.000498717 0.000262741 0.000802564 0.000777055 0.0005635 0.001032737 0.000886627 0.000840206 TG(15:0_18:1_18:2)+NH4 1.001691887 1.313358435 1.027374301 1.028076311 1.364471584 0.934548325 0.513720099 0.653159622 0.521536322 0.569093664 0.649097874 0.509778253 0.942764448 0.80119446 0.935646913 1.063189258 1.051018183 0.794734631 PE(O-19:1_18:2)+H 0.003894558 0.004521122 0.00385417 0.003645064 0.005079387 0.003782126 0.000595592 0.001140801 0.001018446 0.000842705 0.000858836 0.000956836 0.00253047 0.00199863 0.001900881 0.001913597 0.002582074 0.001569328 TG(18:1_20:4_20:5)+NH4 0.088242149 0.099461038 0.04391604 0.07162346 0.08408183 0.067276391 0.004126098 0.008473721 0.011313587 0.006088667 0.010018734 0.00502387 0.016558099 0.020989746 0.024041529 0.020723504 0.0169172 0.015868951 TG(15:0_17:1_18:1)+NH4_1 0.445256564 0.55166942 0.44786034 0.457205618 0.543590496 0.482597077 0.104767006 0.21868441 0.18518064 0.171388339 0.200712678 0.143207514 0.318730973 0.256263103 0.333897044 0.348477461 0.358190888 0.303992016 LPE(20:4)+H_1 0.008318202 0.00502728 0.005184375 0.008531229 0.007602268 0.007890371 0.002393922 0.003050723 0.002648876 0.002460406 0.003233786 0.002499557 0.005441584 0.005279149 0.005611267 0.007431937 0.007299648 0.004629574 PE(20:5_18:1)+H_1 0.009603893 0.010434053 0.005741239 0.008748929 0.009938593 0.007982742 0.001544354 0.002250519 0.001743133 0.001330004 0.002173202 0.001250953 0.003284478 0.003319218 0.003933686 0.004538584 0.004291329 0.003009311 TG(17:1_18:1_18:2CHO)+NH4 0.007430303 0.002814481 0.003924061 0.007175215 0.006882943 0.007840584 0.000232101 0.000229005 0.00025925 0.000469523 0.000359994 0.000355377 0.000928208 0.000671092 0.001075963 0.000926131 0.00084 0.00062323 PC(16:0_17:2)+Na 0.012959802 0.017808333 0.018983059 0.011418215 0.032409995 0.013455928 0.002986274 0.005936273 0.002117725 0.003452333 0.002182969 0.000719639 0.006446089 0.011606705 0.012491558 0.013950908 0.013945577 0.011926871 Hex1Cer(d17:1_24:1)+H_2 0.009693219 0.009221649 0.006563151 0.007476188 0.008540172 0.008191653 0.002216294 0.002742888 0.00235082 0.002214751 0.002984664 0.002000937 0.004103856 0.004254612 0.005042461 0.005526045 0.005799652 0.003906035 TG(16:1_17:1_20:5)+NH4 0.112606491 0.123194215 0.073816159 0.016001819 0.105941345 0.110039811 0.014772688 0.02432622 0.018440424 0.014801491 0.021629004 0.013958218 0.038885249 0.038305245 0.056522513 0.057282759 0.044375927 0.036846289 DG(20:5_20:5)+NH4 0.067789403 0.054606509 0.026354644 0.03667437 0.039229824 0.046966575 0.005829425 0.010230146 0.007525333 0.004736536 0.007050406 0.005548138 0.016401059 0.012808746 0.016469246 0.012769418 0.012157385 0.016187971 PC(18:1_19:4)+H 0.009656477 0.010644089 0.0064909 0.008110065 0.009984642 0.008827629 0.000189811 0.00069329 0.000609067 0.000549047 0.000863245 0.000481603 0.002364312 0.001778113 0.00238288 0.003682846 0.002360204 0.002016496 Co(Q9)+NH4_2 0.004334708 0.006894813 0.003049443 0.004008878 0.008039274 0.006103424 0.000540624 0.001111719 0.000855876 0.001126235 0.000943254 0.000675741 0.001909815 0.00221925 0.00166727 0.001657811 0.002066002 0.001509112 PC(29:5_10:0COOH)+H_2 0.003463813 0.000685381 0.002844462 0.002858215 0.002398657 0.002576666 0.000668792 0.000903353 0.000839117 0.000689826 0.001055406 0.000587647 0.002256836 0.002908554 0.001816026 0.002874226 0.002864538 0.001635113 DG(18:1_18:3)+NH4_2 0.005967625 0.004871956 0.002384683 0.003125304 0.003640261 0.004191404 0.000410982 0.001022509 0.000697379 0.00057832 0.0006976 0.00074147 0.001746674 0.001575089 0.002057412 0.001240841 0.001436387 0.001887111 TG(15:0_18:1_20:5)+NH4 0.337245131 0.40070172 0.224589432 0.355993009 0.407739408 0.328922082 0.024696697 0.064262471 0.062740181 0.040632665 0.062426934 0.045982363 0.097967645 0.109363904 0.112870748 0.136290164 0.127675418 0.091271744 AcCa(16:1)+H_2 0.007585601 0.007495456 0.005537771 0.005634461 0.00768775 0.007808366 0.001994376 0.002220346 0.001746125 0.00100188 0.001527226 0.001093989 0.003190578 0.003381239 0.003215038 0.003365758 0.003432621 0.002514537 TG(22:0_18:1_20:2)+NH4 0.034404783 0.038682367 0.026241186 0.024949862 0.031216973 0.026684095 0.002674957 0.005331128 0.00434242 0.003557193 0.004649667 0.003357053 0.007944309 0.012055725 0.012188741 0.009997694 0.01310557 0.007929676 DG(19:1_20:3)+NH4 0.007861767 0.006357836 0.002580591 0.004740281 0.005154024 0.006257894 0.001561361 0.001633456 0.001104516 0.000941923 0.001188767 0.000946805 0.002461646 0.002220579 0.002578859 0.002258166 0.001899973 0.002742554 PE(18:3_20:3)+H 0.002919515 0.002462677 0.001511069 0.001949659 0.002668273 0.002236801 0.000287741 0.000615579 0.000474865 0.000409495 0.000546129 0.000282939 0.001090152 0.001003527 0.000991764 0.001567098 0.001248132 0.000978656 TG(14:1_15:1_17:1)+NH4_1 0.155347096 0.170423955 0.102061574 0.141456868 0.164908275 0.132175543 0.070397403 0.12245268 0.09160639 0.090127469 0.114891929 0.080049665 0.142803814 0.15894612 0.174837066 0.173633411 0.175449476 0.145306736 PE(P-17:0_20:3)+H 0.009613349 0.012373645 0.007711718 0.010289551 0.012537016 0.014012052 0.001753161 0.002396807 0.001358983 0.001511287 0.001693294 0.001744179 0.004703537 0.003586662 0.004042348 0.004851517 0.006182265 0.003662446 PE(O-18:0_18:2)+H_1 0.31979954 0.319726521 0.218178449 0.239904181 0.325604344 0.285723284 0.066108516 0.111192351 0.082865892 0.079277228 0.105082405 0.071094487 0.131722938 0.152143568 0.165544772 0.163633811 0.17438395 0.133688205 PE(14:0_16:0)+Na_1 0.005447829 0.005924513 0.004548434 0.00529427 0.006303307 0.005009539 0.000325491 0.001037438 0.000695946 0.000563089 0.000793053 0.00065866 0.002031398 0.001643744 0.002501735 0.003223692 0.00308116 0.002157466 PC(21:4_6:1CHO)+H 0.003659098 0.000750724 0.002827282 0.003000218 0.001788043 0.002458062 0.001065421 0.000467106 0.000745977 0.000652642 0.000674667 0.000511307 0.002192437 0.002167145 0.002099185 0.002788906 0.002698045 0.001300471 TG(14:0_18:3_20:5)+NH4 0.027786808 0.021374079 0.010906577 0.017398648 0.016786559 0.023257782 0.000670748 0.001772132 0.001362084 0.001035664 0.001729137 0.001971173 0.003713341 0.004121589 0.00513403 0.006631049 0.006398822 0.004077672 PE(20:5_17:1)+H_1 0.01384954 0.014441102 0.009384214 0.012736931 0.014070544 0.011251782 0.001272711 0.002974773 0.001860178 0.001568638 0.001635802 0.001561548 0.004358022 0.004380105 0.004253076 0.006406045 0.005891639 0.004058414 TG(5:0_16:0_20:4)+NH4_1 0.001949607 0.002104252 0.003194842 0.001947393 0.001568713 0.002111857 2.80E-07 0.000147481 9.36E-05 8.52E-05 0.000153548 0.00012342 0.000479035 0.000536435 0.000498142 0.000760351 0.000411976 0.00034604 PE(20:4_19:0)+H_1 0.001744921 0.002471955 0.001210645 0.001791168 0.001967907 0.001480118 0.000290588 0.001036885 0.000526698 0.000511999 0.000660086 0.000482155 0.00133642 0.001185571 0.001259689 0.001536449 0.001500802 0.001264918 TG(14:0_15:0_15:0)+NH4 0.035538383 0.04413131 0.020143265 0.038141907 0.036285221 0.037044657 0.001664647 0.003241314 0.003426311 0.002493664 0.003151874 0.001971036 0.008646338 0.009154305 0.010992261 0.016595141 0.013212891 0.008753752 DG(15:0_18:1)+NH4 0.004837087 0.005016108 0.001814117 0.003831767 0.005695463 0.00485 0.000384582 0.000554695 0.000797505 0.000401097 0.000798888 0.000584643 0.001425739 0.001115779 0.001332075 0.001961399 0.001717521 0.00148094 TG(5:0_16:0_20:4)+NH4_2 0.001949607 0.002104252 0.000804649 0.001947393 0.001568713 0.002111857 2.80E-07 0.000147482 0.000107303 8.54E-05 0.000153548 0.00012342 0.000479035 0.000536435 0.000498142 0.000760351 0.000411976 0.00034604 PE(O-20:0_18:2)+H 0.049446388 0.051772114 0.038717883 0.042379233 0.053849598 0.044531773 0.01301269 0.015534146 0.01132012 0.011858621 0.014424027 0.011064073 0.019420302 0.022377974 0.021916457 0.024798158 0.023580485 0.017265982 TG(17:1_18:1_18:3)+NH4 0.357998651 0.427988393 0.30918352 0.357491031 0.414397726 0.352570635 0.052247427 0.111594099 0.092163823 0.075852777 0.102577045 0.071194293 0.149412592 0.161252514 0.167530659 0.187949998 0.192464552 0.135861095 PC(20:1COOH_17:2)+H 0.002626835 0.000486769 0.001885126 0.00218317 0.001740148 0.001270842 0.00146283 0.00091045 0.000950552 0.001474652 0.00113055 0.00088113 0.002798544 0.00258038 0.002264374 0.002626347 0.002940828 0.001725967 PE(14:0_18:0)+Na 0.000801736 0.00129277 0.00095328 0.001169465 0.001222925 0.00109019 0.000109339 0.000296887 0.000207758 0.000260266 0.000377162 0.000179452 0.000551891 0.000491224 0.000660987 0.00075545 0.000536014 0.000563441 AcCa(15:0)+H 0.01054755 0.00981829 0.004932988 0.008968736 0.008369172 0.009776243 0.001167531 0.00149991 0.001177963 0.000565559 0.001244274 0.000829856 0.002158735 0.002905981 0.00335244 0.003093784 0.002565657 0.002063346 TG(15:0_17:1_20:5)+NH4 0.287447932 0.322993725 0.184617461 0.277179124 0.2512891 0.237321845 0.025083327 0.04542435 0.051697489 0.032131371 0.04886011 0.030877019 0.080809846 0.089217112 0.10015186 0.127440119 0.113378948 0.076871175 PE(18:2_18:1)+Na 0.009471982 0.012144406 0.005429354 0.00972823 0.009892972 0.007682259 0.001475539 0.002133907 0.001609479 0.001316548 0.001696919 0.001171014 0.00326458 0.003317095 0.004214957 0.005053039 0.004472463 0.002978916 DG(18:1_18:4)+NH4 0.007945489 0.005008614 0.002491451 0.003452884 0.005234765 0.004650363 0.000262378 0.001096073 0.000697129 0.000603088 0.000717668 0.000745611 0.001656999 0.001705353 0.00218701 0.001722068 0.001306817 0.002093478 DG(16:1_18:1)+NH4_2 0.000135669 0.000115857 0.002244124 0.005403898 0.000133754 9.51E-05 0.000751106 0.000915245 0.000848452 0.000775245 0.000896416 0.000739446 0.002138139 0.001457905 0.002183648 0.001668218 0.001363354 0.001641851 DG(17:0_20:4)+NH4_2 0.015792427 0.012801916 0.005973514 0.009551881 0.010241841 0.012302057 0.002031905 0.002519573 0.001597359 0.00144172 0.00157018 0.001701985 0.005126693 0.003531976 0.005883849 0.003694978 0.003948824 0.005329412 PE(P-18:0_20:3)+H 0.104433905 0.106769764 0.068708722 0.081506571 0.107225294 0.093381206 0.014515186 0.022328739 0.015220867 0.013626192 0.022234035 0.01361829 0.036720231 0.034437243 0.046548429 0.058538559 0.048624493 0.03677943 PE(18:3_14:0)+H 0.005503957 0.005650893 0.004212537 0.004798961 0.008982267 0.005141032 0.000327552 0.001038112 0.000591447 0.000540778 0.000809739 0.000660502 0.002065119 0.001640649 0.002423624 0.003304776 0.003081246 0.002122169 TG(14:0_17:1_18:3)+NH4_1 0.092439532 0.110424624 0.147382131 0.091712681 0.095916464 0.08572137 0.012862783 0.021433819 0.020211262 0.017222699 0.019736808 0.01491785 0.042475526 0.037665242 0.039921239 0.061534836 0.051760405 0.035874309 TG(5:0_15:0_17:1)+NH4_3 0.002585174 0.002264632 0.001077065 0.00281021 0.001775137 0.002820945 0.000128489 0.000174454 0.000257502 9.00E-05 0.000132634 0.00010061 0.000623564 0.000570874 0.000768054 0.001032365 0.00108428 0.000563926 TG(12:0_14:0_15:0)+NH4 0.005903179 0.006987479 0.00265221 0.004951672 0.006485501 0.005652925 6.86E-05 0.000178536 0.00023216 0.000119329 0.000222527 0.000171874 0.001170491 0.001099408 0.001620193 0.002342097 0.002022712 0.001087902 BisMePE(16:0_18:1)+H 0.01209809 0.012645476 0.007648757 0.010363128 0.012689896 0.012469385 0.001076698 0.000634291 0.00038447 0.00053828 0.000833684 0.001193619 0.00221552 0.002762936 0.004464618 0.004800969 0.00335538 0.003245288 TG(15:0_15:0_14:1)+NH4 0.043402969 0.040253261 0.020701334 0.041074364 0.041261349 0.033599903 0.00094332 0.00293893 0.003351148 0.001937417 0.00323075 0.001741275 0.006951959 0.006835904 0.009086102 0.011217348 0.00936102 0.005729364 PC(19:1_20:4)+Na_2 0.006127086 0.013210986 0.009968303 0.010359335 0.010681881 0.009821378 0.005362856 0.006177065 0.004808298 0.004317613 0.005502178 0.003787135 0.008011339 0.007744841 0.007190311 0.009831327 0.008875696 0.008068033 TG(15:0_18:0CHO_17:1)+NH4_2 0.010001917 0.006142343 0.004323884 0.009630956 0.010443688 0.006665403 0.000186189 0.00045156 0.00079822 0.000534805 0.000644281 0.000506728 0.002134852 0.001959094 0.00240071 0.002769083 0.001130085 0.001884218 PE(16:0_18:3)+H 0.040859907 0.046175365 0.029521009 0.039333249 0.047206828 0.038654512 0.005120655 0.008949566 0.006086934 0.006211339 0.008520465 0.005948614 0.015509089 0.013216046 0.018696452 0.023881109 0.021148717 0.015319942 PC(20:5_18:1CHO)+H 0.005919794 0.00144129 0.004174997 0.004231427 0.003945501 0.002953382 0.000253238 0.000667798 0.000367926 0.000399581 0.000617407 0.000394459 0.003948934 0.004266014 0.002559382 0.00404504 0.002578552 0.001693176 PE(O-19:0_18:1)+H 0.003642429 0.003428892 0.002333011 0.003052968 0.003554169 0.003248443 0.000710672 0.002137935 0.001792938 0.002194653 0.004179867 0.001618838 0.005036926 0.005089109 0.005540306 0.004651554 0.005865139 0.005405717 TG(36:1_18:0CHO)+NH4 0.013622265 0.012618328 0.00836707 0.012016857 0.011346852 0.012559305 0.000281016 0.000754473 0.000715295 0.000510644 0.000765674 0.000476647 0.001770121 0.001820365 0.002306046 0.002113954 0.002933482 0.00137233 TG(13:1_13:1_15:1)+NH4_1 0.013019351 0.013020013 0.006132849 0.010468584 0.010314982 0.010922935 0.001188054 0.002862142 0.002003545 0.001954749 0.00061145 0.000526297 0.003507392 0.004198344 0.004914017 0.004864715 0.004921215 0.00378956 PE(18:2_19:0)+Na 0.024332247 0.027800135 0.016205271 0.019151514 0.026033786 0.02104552 0.003501583 0.007412236 0.006061182 0.004765211 0.00677026 0.003997389 0.010022437 0.010144063 0.012009679 0.014549058 0.013089566 0.010267889 PE(18:2_18:2)+H 0.012753005 0.015050316 0.009376558 0.009996786 0.014153798 0.011951817 0.000553088 0.003091391 0.001696017 0.001744636 0.002184984 0.001501199 0.004536895 0.004143436 0.005084717 0.004766885 0.006550654 0.004304614 PC(19:1_20:5)+Na_1 0.001118404 0.002050408 0.001114207 0.001346297 0.003850729 0.001051909 0.000510473 0.000733855 0.000372738 0.000332042 0.000499716 0.000290033 0.001325084 0.002169514 0.001358171 0.00110735 0.00141048 0.001470848 LPE(17:1)+H_2 0.021051787 0.015116448 0.010745394 0.021714546 0.019369449 0.017608436 0.010917101 0.006009747 0.007473244 0.007577809 0.009246816 0.007583825 0.01924106 0.015558636 0.025958969 0.022472977 0.024313038 0.015265587 PC(18:2CHO_10:2)+H 0.005394577 0.001113545 0.004043224 0.005054249 0.005560223 0.003644343 0.001164276 0.001803284 0.001421745 0.001416868 0.001804815 0.002008555 0.00436888 0.004025853 0.004398435 0.004048588 0.005725333 0.002701518 TG(15:0_18:1_16:2)+NH4 0.102189161 0.120237875 0.06783224 0.092674638 0.090791106 0.09414043 0.031405709 0.027167549 0.024451831 0.020579974 0.022739971 0.019801812 0.034028016 0.053570129 0.052908523 0.055584705 0.044797572 0.045628757 TG(5:0_17:1_19:1)+NH4_1 0.025473267 0.024943492 0.012403413 0.022029319 0.023706915 0.021416372 0.002122267 0.003652395 0.002658833 0.002232767 0.003258347 0.002234164 0.006622675 0.008857493 0.009659269 0.009502782 0.012959502 0.006445534 PE(18:1_20:2)+H 0.025502268 0.019917933 0.020703452 0.020689645 0.019640931 0.024081151 0.002677916 0.007017307 0.004299562 0.004727724 0.005696063 0.003847009 0.010022837 0.009843842 0.011478737 0.010771061 0.011706654 0.007453545 PC(O-14:1_20:5)+H 0.009965853 0.011805089 0.00832524 0.010437367 0.012754148 0.0104633 0.001119628 0.002192669 0.001712903 0.000952985 0.001162559 0.00112808 0.004061056 0.003232559 0.0035041 0.005253514 0.005153129 0.003158926 PE(16:0_21:0)+Na 0.00284878 0.003007755 0.002120569 0.002321678 0.00322481 0.002632434 0.000497577 0.00087937 0.000638897 0.000626038 0.000799638 0.000725191 0.001537667 0.001347022 0.001461578 0.001961318 0.001949645 0.001186901 DG(18:2_18:3)+NH4 0.002816914 0.002312086 0.001102392 0.001295319 0.001670808 0.00193768 0.000203615 0.000314983 0.000139003 0.000196241 0.000218861 0.000204054 0.000662283 0.000644307 0.000974985 0.000678423 0.000466678 0.000575926 LPE(18:2)+H_1 0.043486692 0.019969148 0.027392619 0.038565394 0.039023039 0.038773901 0.01225242 0.011191867 0.013588354 0.013194336 0.014791714 0.010702856 0.021675734 0.019596418 0.021012429 0.022349192 0.023756175 0.015746182 PC(16:1_20:3CHO)+Na 0.001435142 0.00045405 0.001383422 0.00157883 0.000394416 0.00073185 0.000164107 0.000323782 0.000152977 0.00015872 0.000247565 0.000413754 0.000667121 0.001409372 0.000908258 0.000777466 0.000962467 0.000924918 PC(19:2_17:2COOH)+H 0.002433481 0.000646448 0.002056154 0.002451206 0.002009192 0.001841037 0.000979828 0.001222786 0.000891094 0.000777664 0.001252443 0.000706029 0.001912272 0.002307406 0.002020802 0.002754117 0.002666972 0.001645516 TG(O-13:1_5:0_20:5)+H 0.002032575 0.001203207 0.000928384 0.000975618 0.001147455 0.001275468 0.000188397 0.000312534 0.000210541 0.00018582 0.000425762 0.000151689 0.000611074 0.000467928 0.000679584 0.000504672 0.00056433 0.000612833 PC(20:5_17:2)+H 0.004923574 0.005452433 0.004637212 0.005013434 0.008076275 0.004130617 0.001085798 0.00249753 0.001538369 0.00130142 0.001870274 0.00133229 0.003308421 0.003251345 0.00375735 0.004718736 0.003837886 0.002961328 TG(15:0_17:0_18:0)+NH4_1 0.019299742 0.024345899 0.015019389 0.019248049 0.023321558 0.020159984 0.008245376 0.009195476 0.00996408 0.007970977 0.009024528 0.008673386 0.014689455 0.014294423 0.016454155 0.015960697 0.022047275 0.014796856 DG(18:1_19:1)+Na 0.003816328 0.004585018 0.002631936 0.003282312 0.003818829 0.004042303 0.00122548 0.001889382 0.00139307 0.001362862 0.001485356 0.001370803 0.002021947 0.001976868 0.002037426 0.002026797 0.002155109 0.002199157 TG(18:1_19:1_21:1)+NH4 0.104755875 0.131608599 0.094359942 0.096965513 0.201136086 0.108387334 0.012348786 0.024682229 0.021137313 0.022920344 0.02316797 0.018172482 0.036786103 0.040583856 0.040131557 0.04756082 0.054411921 0.034240047 PE(P-20:1_18:1)+H 0.024313714 0.027238955 0.017945731 0.018656911 0.026489009 0.021144546 0.00263532 0.007193585 0.006009722 0.005391046 0.008198293 0.004791839 0.011944093 0.011161891 0.014754735 0.01435501 0.014156704 0.009855677 TG(17:1_17:1_18:1)+NH4_1 0.003871288 0.004180287 0.003210115 0.002984528 0.004804531 0.003185155 0.000595465 0.000971254 0.00098741 0.000906611 0.001430198 0.001084479 0.002016531 0.001805275 0.00238487 0.002183863 0.002707171 0.00173544 TG(20:1_20:5_20:5)+NH4 0.007234775 0.00825888 0.004377916 0.004361542 0.006123511 0.005935339 0.000316054 0.000655559 0.001079951 0.000693154 0.000930423 0.000499163 0.001511854 0.001728671 0.001502546 0.001376711 0.001525576 0.001285449 TG(23:0_19:1_18:2)+NH4 0.017745531 0.022962976 0.016476986 0.017191956 0.022387795 0.017596786 0.00262896 0.005811567 0.004488675 0.004425383 0.005372858 0.00417807 0.007165347 0.008215144 0.007821733 0.009159482 0.010038047 0.007611887 PE(14:0_18:2)+H 0.014675331 0.016394579 0.010894718 0.012084836 0.01645503 0.011886108 0.001282293 0.003046993 0.002119222 0.00189409 0.002596658 0.001907926 0.005087435 0.004059939 0.005799207 0.007046778 0.006830455 0.004516538 PE(22:0_20:3)+H 0.00382966 0.004339459 0.002597783 0.003100738 0.003896931 0.003164756 0.000761319 0.001168856 0.000860248 0.000814815 0.001098935 0.000745158 0.001941516 0.001833821 0.00241573 0.003152776 0.002577476 0.0018394 PE(13:3CHO_18:0)+H 0.000886987 0.000100531 0.000577868 0.000770145 0.000646016 0.000681838 9.09E-05 0.000146696 0.00020774 0.000103097 0.000225139 0.000101837 0.000431712 0.000347636 0.000529553 0.00053688 0.000634285 0.000342678 PE(P-19:1_18:2)+H_1 0.003892269 0.005949607 0.004214884 0.004844595 0.005630353 0.004823928 0.000851417 0.00152551 0.00120308 0.000893151 0.000855149 0.000751855 0.002466543 0.00197668 0.002082504 0.002848105 0.003260547 0.002152179 PC(20:1CHO_18:3)+H_1 0.001926422 0.001098301 0.00214107 0.002512428 0.00164665 0.001345003 0.001463251 0.001442932 0.001551746 0.001883471 0.002656266 0.001555598 0.003478727 0.004580696 0.003830772 0.004545179 0.005250198 0.003012857 PE(17:0_10:2CHO)+H 0.004286396 0.002148295 0.003155051 0.003223271 0.003353051 0.002416931 0.000830097 0.00066748 0.001172322 0.000825985 0.000982089 0.000590873 0.002269441 0.002059742 0.001582462 0.001996971 0.002479665 0.001429919 TG(18:1_18:2_20:6)+NH4 0.003031457 0.007222645 0.003249333 0.003298884 0.005376775 0.003879624 0.000607583 0.00105493 0.00097368 0.000446796 0.001050827 0.000595769 0.00168161 0.001708333 0.002062248 0.002677015 0.002739236 0.001920391 DG(20:3_20:5)+NH4 0.017399852 0.013201787 0.005373475 0.007607061 0.009880155 0.01195362 0.001361318 0.001758949 0.00123822 0.000884626 0.002336372 0.001341132 0.003111726 0.002942169 0.004345814 0.002909954 0.003574098 0.003129642 BisMePE(18:2_18:2)+H 0.005908902 0.005674483 0.004647959 0.004224635 0.005083865 0.005207789 0.000206634 0.000605972 0.000453626 0.000213965 0.000341972 0.000414164 0.001055395 0.001273822 0.001291284 0.001268629 0.001940415 0.00097142 PE(18:1_19:1)+H_1 0.037555512 0.034988878 0.022033484 0.027268973 0.048201663 0.02542932 0.004783686 0.00874511 0.006338906 0.006292243 0.007486495 0.007035739 0.015780087 0.01281039 0.014254647 0.019436112 0.016568452 0.010854784 TG(14:1_16:1_17:1)+NH4 0.202784387 0.204782883 0.126303487 0.179059538 0.16664899 0.143591926 0.022066903 0.083222616 0.062591458 0.055906772 0.081631028 0.054627754 0.122113888 0.127833836 0.132401948 0.128232903 0.145573655 0.101246557 PE(10:2CHO_18:0)+H 0.001345661 0.000454626 0.000940792 0.001218429 0.001314931 0.001030368 0.000224803 0.000311868 0.000333586 0.000288943 0.000533398 0.000360124 0.000797541 0.000795436 0.000843036 0.001027737 0.001166802 0.000636831 DG(17:1_20:4)+NH4 0.007139197 0.006490429 0.002717326 0.004807582 0.005513089 0.005268976 0.000707423 0.000775106 0.000740174 0.000523519 0.000671876 0.000549657 0.001986947 0.001712705 0.003073465 0.00190425 0.001583923 0.001841707 BisMePE(14:0_18:2)+H 0.002770551 0.003670618 0.001800599 0.00230414 0.003764891 0.00279011 0.000189968 0.00056019 0.00030735 0.000145911 0.000169917 0.000300167 0.001048804 0.000585784 0.000796129 0.001085382 0.000870573 0.000829963 PE(18:1_17:0)+Na 0.008892096 0.011355546 0.007665796 0.009401705 0.011371544 0.009798079 0.004770212 0.004369692 0.003346834 0.002436376 0.002838729 0.002611308 0.007887551 0.006550745 0.006982269 0.009497285 0.009587477 0.006167056 PE(P-18:0_18:3)+H_1 0.020288901 0.022135279 0.016102639 0.016905273 0.02227446 0.018704292 0.002030598 0.005439481 0.003530036 0.003663027 0.005187551 0.003377041 0.008492527 0.008120142 0.011318588 0.014601745 0.012980187 0.00998411 PE(19:0_20:4)+H 0.001916683 0.002592636 0.001557898 0.001962408 0.002316089 0.001877561 0.000621468 0.00076274 0.000537828 0.000419096 0.000499176 0.000536597 0.001418826 0.001097621 0.001126086 0.001768483 0.001718052 0.001132111 TG(26:0_17:1_20:4)+NH4 0.00378612 0.004433481 0.001881289 0.003147569 0.003312789 0.004292914 0.001298738 0.001753205 0.001570862 0.001386464 0.001562518 0.00107092 0.000660159 0.000762048 0.000738966 0.000988989 0.000766785 0.000541411 PC(18:1_18:4)+Na_1 0.016695783 0.011010537 0.010441646 0.01564381 0.020361392 0.015689209 0.001764809 0.003014716 0.002844997 0.002873841 0.003331495 0.002780656 0.006400936 0.00536472 0.004255137 0.007109303 0.007902977 0.006167325 PC(18:1_18:4)+Na_2 0.016695783 0.011010537 0.010441646 0.01564381 0.020361392 0.015689209 0.001764809 0.003014716 0.002844997 0.002873841 0.003331495 0.002780656 0.006400936 0.00536472 0.004255137 0.007109303 0.007902977 0.006167325 PE(18:1_20:0)+Na 0.003365931 0.003427773 0.001937922 0.002795893 0.003418909 0.002835861 0.00085447 0.001411778 0.000981546 0.000893879 0.00124375 0.000920327 0.002060911 0.001740096 0.002096914 0.002715229 0.002785205 0.00198569 PE(P-18:0_15:0)+H 0.0316374 0.031937758 0.021645851 0.025572447 0.032209753 0.028026153 0.003454406 0.006275417 0.005458795 0.004191314 0.005875703 0.004110206 0.009058991 0.008920887 0.011856926 0.014553031 0.012591103 0.009740951 PE(24:2_10:1)+H 0.001159915 0.001326864 0.000909851 0.001151414 0.0012683 0.001084457 0.000131646 0.00027867 0.000225461 0.000239202 0.000373627 0.000185558 0.000549172 0.000514097 0.000727858 0.000780306 0.000504167 0.000527557 TG(17:1_18:2_20:4)+NH4_1 0.393802263 0.490210535 0.313435933 0.376918624 0.413651254 0.395833847 0.043836754 0.090856762 0.083135697 0.060027908 0.088080444 0.057702587 0.118573747 0.14178817 0.141557914 0.163079969 0.157853187 0.113253871 TG(18:1_18:1_20:3CHO)+NH4_1 0.004912629 0.003813292 0.00272263 0.005204951 0.004373881 0.003526609 0.00022352 0.000327094 0.000223218 0.000165192 0.000261858 0.00030282 0.000530109 0.000674195 0.0010507 0.001079439 0.000978607 0.000698113 TG(19:1_20:2_20:5)+NH4 0.009683775 0.014907569 0.010619897 0.007728628 0.010347742 0.010339289 0.003216647 0.002771132 0.002766606 0.00294503 0.002725786 0.002333935 0.004032902 0.0054508 0.003758157 0.004549988 0.004740149 0.004147019 TG(15:0_16:0_17:0)+NH4 0.017983173 0.025338196 0.015777415 0.021071406 0.024785748 0.019364325 0.009449696 0.009069532 0.01025045 0.009234961 0.012552388 0.009212304 0.014523024 0.013462701 0.014248423 0.016231995 0.017684592 0.014167047 TG(16:1_20:5_20:5)+NH4 0.024256248 0.030247268 0.016379349 0.020069563 0.022583884 0.024323596 0.001314871 0.002419263 0.003705056 0.001246858 0.002827106 0.001182895 0.005194297 0.005856337 0.006743051 0.008015149 0.005929295 0.004520566 PE(18:0_20:3)+H 0.047945187 0.046420602 0.030006187 0.041429357 0.04853703 0.039654378 0.010244566 0.011981231 0.009111699 0.007933049 0.012950861 0.008057084 0.020884131 0.020163648 0.025203977 0.033877872 0.027624165 0.01957148 TG(6:0COOH_18:2_18:2)+Na_2 0.002992775 0.003287752 0.002305427 0.002638581 0.002601962 0.002704087 0.002913279 0.002767511 0.002234776 0.002195309 0.002554283 0.001841167 0.004406693 0.003740971 0.00369197 0.004331014 0.005425539 0.003987086 PE(15:1_20:5)+H 0.003552627 0.003775981 0.002252483 0.002776406 0.003076901 0.003329628 0.000665043 0.001037194 0.000650919 0.000393838 0.000686192 0.000426557 0.001376381 0.001370098 0.001956911 0.002438055 0.002200224 0.001739768 TG(15:1_15:1_17:1)+NH4_1 0.14559599 0.148951066 0.093728948 0.120678871 0.134969429 0.11480639 0.103538363 0.112420414 0.091292175 0.078430458 0.09538291 0.078794683 0.139688179 0.178290135 0.16751987 0.188397225 0.220895827 0.145355688 TG(15:0_18:1_18:4)+NH4 0.159893689 0.147753194 0.116343457 0.146946448 0.160593836 0.139063937 0.000685259 0.040488082 0.030459228 0.024127261 0.033657268 0.024065018 0.051238544 0.060135679 0.067430483 0.076003962 0.076864754 0.067761976 TG(19:1_19:1_20:2)+NH4 0.053075466 0.064263065 0.052680664 0.049543309 0.058805932 0.048909869 0.01389775 0.023667624 0.017501693 0.018259 0.0217615 0.015479318 0.027589873 0.030335313 0.028284809 0.031416427 0.033150231 0.026153341 TG(18:0CHO_18:1_19:1)+NH4_1 0.00736145 0.007806484 0.007385881 0.010855206 0.0088105 0.007827154 0.000546009 0.000605921 0.000764533 0.000355887 0.000891689 0.000433068 0.001407196 0.001727126 0.001863028 0.002006828 0.001628725 0.001000328 TG(18:0CHO_18:1_18:1)+NH4_2 0.018682626 0.018143087 0.017042573 0.018721874 0.018036798 0.022733373 0.00064272 0.000957311 0.00112491 0.0006206 0.00141237 0.000937085 0.002210949 0.003062646 0.003506488 0.004152218 0.003302241 0.002012926 PE(18:0_18:1)+Na 0.037537386 0.038662126 0.026823495 0.031488128 0.038015991 0.032950537 0.005043577 0.01025725 0.007774844 0.007193526 0.011220206 0.006739107 0.016146756 0.014780756 0.019569473 0.023884393 0.018577483 0.015301642 TG(18:0_22:0_18:1)+NH4 0.031340405 0.033027743 0.023602129 0.026944874 0.033484167 0.031522949 0.002608036 0.004918762 0.004503804 0.003134439 0.004652741 0.002993231 0.007591072 0.010356756 0.012157362 0.012059797 0.014102318 0.007604458 TG(14:1_15:1_16:3)+NH4 0.006156158 0.006582829 0.003450196 0.005583203 0.00511962 0.005679639 0.000951276 0.002452083 0.001418977 0.001290602 0.001677049 0.00134985 0.002881823 0.002685292 0.003613954 0.00345909 0.003278673 0.002689253 PE(16:0_18:2)+H 0.081427015 0.0825989 0.055738449 0.069330184 0.086253138 0.072606367 0.011840991 0.018745874 0.014084421 0.015021311 0.019305071 0.014666244 0.030679595 0.024487952 0.034512581 0.041222212 0.037765032 0.02699162 Cer(d17:1_22:1)+H_4 0.000631116 0.001242979 0.000374648 0.000228134 0.000717702 0.000860945 9.27E-05 0.000181541 0.000110776 6.39E-05 0.000111815 0.000121211 0.000456084 0.00027564 0.000342387 0.000354925 0.000332341 0.000217093 TG(14:1_16:1_20:5)+NH4 0.016480177 0.01587598 0.00783791 0.012306896 0.012282779 0.015324122 0.000549088 0.001864043 0.001599697 0.001242258 0.001643717 0.001380563 0.003968424 0.003139533 0.00397912 0.00543206 0.004996798 0.002845629 BisMePE(18:1_19:1)+H 0.036708188 0.029284655 0.019067646 0.028055085 0.033662222 0.033297847 0.001161652 0.003470464 0.002689368 0.002697323 0.003595596 0.002282707 0.006694107 0.006030119 0.007775523 0.011418501 0.007903281 0.00675801 TG(18:0_18:0CHO_18:1)+NH4 0.008621241 0.006606013 0.004503181 0.00585652 0.007462542 0.006987304 0.000212223 0.000600594 0.000495504 0.000470866 0.000589598 0.000416927 0.001094084 0.001035132 0.001316656 0.001505873 0.001912032 0.001137838 TG(20:3_20:4_20:5)+NH4_1 0.015378364 0.02482126 0.006687693 0.012855724 0.015881541 0.011862921 0.001050802 0.00172192 0.001606399 0.001001141 0.00120107 0.000679057 0.004574294 0.006400106 0.004019666 0.00264463 0.003873716 0.004317997 PE(19:0_20:5)+H_2 0.017499912 0.021735662 0.013933326 0.018491637 0.020300782 0.018700338 0.003823709 0.005026835 0.003916454 0.002631692 0.00324396 0.003618645 0.00784996 0.006673627 0.006764879 0.00869269 0.010293038 0.006449915 TG(18:0CHO_17:1_17:1)+NH4_2 0.013946964 0.009171008 0.007899911 0.010616502 0.012206976 0.011174389 0.000879388 0.001138375 0.001150087 0.001190214 0.001101692 0.000536354 0.003476933 0.002376632 0.003299339 0.002903961 0.003659496 0.001685415 TG(6:0_18:1_18:2)+NH4 0.014954281 0.014818398 0.007552509 0.011433943 0.011251008 0.011841166 0.000953357 0.002075995 0.003640194 0.001364893 0.00135386 0.001321302 0.006790618 0.008231127 0.004346101 0.007996593 0.004605522 0.006278837 DG(20:4_20:4)+NH4_2 0.003785462 0.002536315 0.001435213 0.00213647 0.002087413 0.002355524 0.000346526 0.00045819 0.000457979 0.000295215 0.000373909 0.000338555 0.000851105 0.000618836 0.000958297 0.000811405 0.00056516 0.000800699 PE(17:0_20:5CHO)+H 0.00154299 0.000753483 0.00136322 0.001981097 0.001658648 0.001279241 0.000322372 0.000540101 0.000576805 0.000366478 0.000556657 0.000349087 0.001116235 0.001243635 0.001127492 0.001446143 0.001678782 0.000791208 PE(20:5_15:0)+H_1 0.005902255 0.007623032 0.004940731 0.007228283 0.008026423 0.006720168 0.001029319 0.001265829 0.001099397 0.000835504 0.001066898 0.001001167 0.002848256 0.002093278 0.002916626 0.003680049 0.004364618 0.002459666 TG(9:0_15:0_15:0)+NH4 0.003107652 0.002948673 0.001338218 0.003195446 0.002641323 0.002554376 4.42E-05 1.78E-05 8.77E-05 1.19E-05 2.21E-05 1.60E-05 0.000385852 0.000362916 0.000730349 0.000941888 0.000699518 0.0004351 LPE(19:1)+H_1 0.024199485 0.020379236 0.010932038 0.018703821 0.024756661 0.021375896 0.005714737 0.008263457 0.006980685 0.006470478 0.008094248 0.00711396 0.013581576 0.010954235 0.01417918 0.015313643 0.018779685 0.011813812 PE(20:5_18:1)+H_2 0.259163504 0.287461615 0.190961349 0.204729861 0.257528325 0.214506496 0.030023172 0.081424474 0.055131128 0.052534714 0.073167571 0.047999399 0.108648324 0.09799371 0.122679114 0.135913418 0.134647241 0.09841811 Hex1Cer(d17:1_22:1)+H 0.015981512 0.015195961 0.009841943 0.012408528 0.014285952 0.01273799 0.003677012 0.005633577 0.004504418 0.004132539 0.005799042 0.004223882 0.007452924 0.007770453 0.008854991 0.008868759 0.010473439 0.006803459 PE(15:0_17:0)+H 0.025054305 0.026253522 0.017600389 0.023554393 0.029809882 0.023265856 0.00203035 0.004313099 0.004735215 0.00327853 0.004238514 0.003592812 0.008204136 0.007067389 0.008898658 0.012686576 0.010610192 0.007650172 TG(15:0_18:0CHO_18:1)+NH4_1 0.010890937 0.00960621 0.007752333 0.011023015 0.007886458 0.008952891 0.000361923 0.000725146 0.000779372 0.000484215 0.000717235 0.000444541 0.001197214 0.001567427 0.002172689 0.00277026 0.00195418 0.001844381 TG(5:0_20:3_20:3)+NH4 0.001336917 0.001337175 0.000535494 0.000890651 0.001208785 0.001252297 4.56E-08 1.82E-05 2.46E-09 3.18E-08 3.86E-08 2.81E-08 0.000278703 0.000391355 0.000410892 0.000453593 0.000405494 7.40E-05 PE(18:1_18:4)+H 0.010206304 0.011550018 0.008357965 0.00864125 0.012149794 0.010080451 0.000768955 0.002991117 0.002141791 0.002053361 0.00300885 0.001790508 0.004377644 0.003549339 0.005224358 0.005626174 0.005166503 0.00462441 PE(P-18:0_18:3)+H_2 0.027447481 0.026320128 0.018839388 0.021540704 0.028864247 0.022912704 0.002070973 0.005400961 0.003757854 0.003378374 0.00416656 0.002846011 0.007633896 0.008916809 0.012326297 0.013205048 0.013670794 0.007966912 DG(16:1_20:5)+NH4 0.003513538 0.003095578 0.001698916 0.001939696 0.002267167 0.002908245 0.000498546 0.000803916 0.000654107 0.000455865 0.000699739 0.000477548 0.001907517 0.001142982 0.001718924 0.001209954 0.001144258 0.001694713 PE(P-18:0_20:4)+H_2 0.055829078 0.068778792 0.040229852 0.049814563 0.065613476 0.052724777 0.00595814 0.010356902 0.007621128 0.007051572 0.009824253 0.005722283 0.017199816 0.015199362 0.021494172 0.029340476 0.023429836 0.017826338 TG(5:0_18:0_17:1)+NH4 0.006896599 0.006301096 0.003542543 0.0055157 0.005326607 0.005960203 0.000375083 0.000503178 0.00046573 0.000343742 0.000439982 0.000303699 0.000890984 0.001935307 0.001639994 0.001916963 0.002361681 0.001237707 TG(14:1_17:1_18:1)+NH4 0.46261199 0.576641441 0.388349779 0.437884089 0.340991248 0.302479194 0.043112571 0.129717456 0.108715639 0.109618161 0.146909423 0.109181132 0.189773967 0.19424768 0.212931547 0.203655381 0.218895498 0.174457283 TG(5:0_18:1_17:2)+NH4_1 0.004118809 0.004118777 0.002209079 0.003513064 0.003470936 0.003973808 0.00011802 0.000238564 0.00022582 0.000181349 0.000254744 0.000178467 0.000811732 0.000945612 0.001145128 0.001350226 0.001902952 0.000865702 PE(16:0_16:0)+Na_1 0.040817026 0.042795395 0.031392069 0.036624672 0.045000369 0.038475047 0.005110781 0.009304274 0.006070504 0.006223811 0.008454986 0.005933536 0.015199229 0.012999771 0.018705064 0.023867096 0.023434841 0.015280438 TG(6:0_17:1_18:1)+Na 0.004083713 0.005201017 0.002707754 0.003393394 0.004716953 0.003618918 0.000449865 0.000763382 0.000524727 0.000400997 0.000574476 0.000418611 0.001144327 0.00128097 0.00223296 0.001706779 0.001579717 0.00122889 DG(18:1_19:3)+NH4 0.002514385 0.002528418 0.000922312 0.001868143 0.001585657 0.001876427 0.000309406 0.000273765 0.000297445 0.000207556 0.000185859 0.000249567 0.001015189 0.000465571 0.00072204 0.000735527 0.000566697 0.000744407 TG(18:0_16:1_20:1)+NH4 0.002382811 0.003729475 0.002260616 0.002959154 0.005939146 0.002305439 0.000757791 0.000748392 0.000678617 0.000380625 0.000534369 0.00053228 0.001025847 0.001492715 0.001252535 0.001508081 0.001843957 0.001999135 PE(18:0_18:2)+H 0.153229629 0.155633532 0.101388616 0.129079259 0.160543708 0.138831178 0.000892699 0.038308971 0.029183105 0.027825143 0.035179698 0.024954477 0.058189458 0.054449989 0.06666618 0.062873468 0.071007976 0.053587357 TG(18:1_20:3_20:4)+NH4 0.039471595 0.049181694 0.035181655 0.036984139 0.04320934 0.037323755 0.00422545 0.010759863 0.007733701 0.008332698 0.012749206 0.00722124 0.017567812 0.017968579 0.01607147 0.018324703 0.021320723 0.013886045 TG(18:1_20:5_20:5)+Na 0.002140221 0.003841994 0.002419284 0.002268932 0.002761816 0.002284375 0.000485721 0.000911703 0.000926103 0.000684459 0.001047685 0.0005782 0.001298013 0.001238165 0.001343992 0.001551424 0.001348256 0.001619009 PE(17:0_18:1)+H 0.186461788 0.190685762 0.117710616 0.160348144 0.200240417 0.182330623 0.020722109 0.042457991 0.039349041 0.034503638 0.045160308 0.032680877 0.069067111 0.059611508 0.08116426 0.094692384 0.085203858 0.060245372 TG(18:1_18:1_20:5)+NH4 0.200609153 0.248647478 0.183601721 0.190412679 0.187584121 0.190846632 0.02515045 0.055165757 0.044741216 0.030032211 0.05242516 0.031533942 0.072475559 0.08520833 0.087458122 0.091152009 0.089487746 0.059832598 TG(16:0_18:1_19:1)+NH4_1 0.006015447 0.006895469 0.00271839 0.003183604 0.004784065 0.003658644 0.0004018 0.001590611 0.00042324 0.001075932 0.000686533 0.000635963 0.002053021 0.002349363 0.00331382 0.002256447 0.002315545 0.001914636 PC(19:1_19:1)+Na_2 0.00708696 0.008505304 0.00535412 0.006830457 0.006973135 0.007351455 0.00269111 0.002187395 0.001666292 0.001189689 0.001704719 0.00171101 0.003998456 0.0036426 0.003604674 0.004014883 0.004257028 0.002587621 PC(18:2_20:4)+Na_2 0.012799065 0.017221802 0.011668265 0.013716125 0.016521462 0.012160447 0.003148794 0.006375639 0.004558697 0.004228801 0.005473675 0.003683511 0.010485519 0.009978584 0.012173998 0.00740341 0.011221758 0.007666779 TG(22:0_18:1_20:5)+NH4 0.00411765 0.00611875 0.004088101 0.004412461 0.005033258 0.004070619 0.000673763 0.001028982 0.001150879 0.000201243 0.000706812 0.000872738 0.002141463 0.001672365 0.001877226 0.002277977 0.002012006 0.001331853 PE(17:1_15:0)+H 0.005688813 0.007202318 0.005146367 0.00695339 0.007461611 0.009867919 0.001875619 0.002387895 0.002051425 0.001703114 0.002573105 0.002266469 0.00389275 0.004482478 0.003138687 0.005265041 0.00453559 0.003429423 PE(26:0_18:2)+H 0.003286581 0.003558367 0.002207352 0.002647647 0.003630844 0.00296347 0.000488105 0.000628065 0.000569767 0.000490419 0.000644588 0.000428302 0.000877039 0.000991538 0.001260727 0.001385425 0.001297217 0.000859487 PE(20:2_19:1)+H 0.012468849 0.013629314 0.007540236 0.0095897 0.012922283 0.010737483 0.001852028 0.002928658 0.002225164 0.002424642 0.002873266 0.002179368 0.004407688 0.004885955 0.005471944 0.006373313 0.005293641 0.003374921 TG(18:0CHO_17:1_18:1)+NH4_2 0.011507071 0.010801908 0.011269046 0.013367445 0.011018039 0.008132442 0.000571517 0.00121719 0.000765505 0.000934169 0.00058237 0.000609253 0.001614904 0.001717843 0.002132614 0.0020828 0.001547879 0.001297965 TG(8:0_18:0_17:1)+NH4 0.002894778 0.002973559 0.002662769 0.002372052 0.002728542 0.002781317 7.12E-05 0.000188413 0.000194658 0.000152848 0.000278201 0.000123168 0.000823724 0.001009148 0.001025702 0.000550566 0.001620865 0.00095456 DG(20:4_20:5)+NH4_2 0.021862225 0.017204084 0.00814497 0.01201755 0.013046471 0.015285628 0.002201575 0.003152904 0.002503686 0.001603164 0.00234292 0.00201892 0.005092203 0.003690928 0.006027779 0.004959592 0.003672615 0.005532635 TG(15:0CHO_17:1_18:1)+NH4 0.005495974 0.004304489 0.002034267 0.005261025 0.00416929 0.004382429 9.43E-05 0.000194496 0.000446185 0.000450443 0.000175797 0.000159229 0.001306532 0.00069696 0.000622507 0.000967114 0.001186763 0.001188894 TG(18:0_27:0_17:1)+NH4 0.003715864 0.00382683 0.001639844 0.001347621 0.004274019 0.003689764 0.000249674 0.000485015 0.000530094 0.000349769 0.0005207 0.000409254 0.001283967 0.001523441 0.001762067 0.001805194 0.0016588 0.000654325 TG(15:1_15:1_16:3)+NH4_1 0.005387393 0.007141733 0.004530166 0.006924803 0.006698233 0.006942824 0.000551117 0.003547888 0.001701484 0.002331185 0.002450907 0.001517419 0.004538124 0.006121674 0.005924857 0.005615 0.00484656 0.003772051 PE(19:1_18:2)+H 0.03679724 0.036247908 0.023919424 0.029457163 0.04140271 0.032149072 0.007703641 0.012252998 0.009396531 0.010169896 0.011079296 0.008938534 0.013553163 0.014986012 0.014735495 0.016821635 0.019101052 0.015193177 PE(P-18:0_18:1)+H_1 0.920034424 0.960731131 0.659334574 0.787328508 1.019919837 0.830641363 0.183907631 0.316778121 0.249783304 0.224796265 0.317719752 0.218646779 0.422802465 0.393825448 0.498724741 0.569367785 0.571156088 0.403306107 TG(17:1_18:1CHO_18:2)+NH4 0.008199609 0.00855645 0.003699376 0.009739903 0.005004265 0.007878315 0.000255641 0.000622105 0.000326993 0.000285306 0.000461298 0.000294627 0.00074311 0.001055072 0.001433101 0.001567015 0.001365535 0.000919763 PE(18:0_18:3)+H_1 0.031033581 0.033262541 0.022085106 0.026542111 0.034188572 0.028544249 0.005312553 0.009682799 0.006447104 0.006533652 0.009163547 0.006200325 0.013758062 0.012009323 0.017017828 0.0210352 0.019520659 0.014175679 DG(18:4_20:5)+NH4 0.003853991 0.002966239 0.001405219 0.001890456 0.002789845 0.002625935 0.000254054 0.000619268 0.000584962 0.000354628 0.000413355 0.000406323 0.001000412 0.000870445 0.00114918 0.000765155 0.000748156 0.001088947 Cer(d17:1_22:1)+H_5 0.00087019 0.000813286 0.000548081 0.000643109 0.000877405 0.000640692 0.000191899 0.000324007 0.000230124 0.00022803 0.000363534 0.000136605 0.000453976 0.00047555 0.000565025 0.000561525 0.000491519 0.000390935 LPE(19:1)+H_2 0.015679255 0.008331138 0.007051938 0.012183719 0.013380716 0.014483166 0.008940902 0.004416864 0.005763848 0.005103753 0.00535115 0.005850846 0.015213592 0.011064732 0.013213558 0.011354544 0.017333184 0.010321602 TG(13:1_13:1_15:1)+NH4_2 0.001765355 0.001778484 0.001049347 0.001535354 0.001387893 0.001907137 1.54E-05 0.000813036 0.000596507 0.000546038 3.69E-07 0.000481471 0.001062324 0.001191842 0.00122388 0.001285831 0.001577459 0.001199585 PE(18:1_20:3)+H 0.036958393 0.03842033 0.027325548 0.031042494 0.038874864 0.031509748 0.005075198 0.010186331 0.007701966 0.007421724 0.011046571 0.006701585 0.015936757 0.013929766 0.01839876 0.024494337 0.019501052 0.015618397 PC(17:1_20:4)+Na_2 0.003494308 0.005109388 0.00123456 0.004129653 0.003385832 0.004035945 0.000154722 0.000304611 3.99E-05 0.000113506 0.000171687 1.65E-05 0.000776531 0.001276227 0.001187079 0.00036298 0.00131926 0.001227272 LPE(20:4)+H_2 0.009807329 0.005702077 0.006081949 0.009321038 0.007734778 0.008396725 0.001820786 0.002323951 0.002010995 0.001861164 0.002604019 0.001693574 0.003903387 0.003810068 0.004270323 0.005893661 0.005069737 0.003251724 PE(17:0_20:4)+H_2 0.009049593 0.011185332 0.007522183 0.009086354 0.010996111 0.00967114 0.005084118 0.004505526 0.003309126 0.002480813 0.002721114 0.00284607 0.00802307 0.006535467 0.00647385 0.009683777 0.009763403 0.006425112 TG(15:1_15:1_18:4)+NH4 0.012113817 0.014824017 0.006355769 0.011025582 0.012439952 0.011963327 0.001119582 0.002875871 0.001947636 0.00135914 0.002045799 0.001396935 0.003463509 0.005130726 0.005925459 0.005716779 0.00432322 0.003415706 PE(P-17:0_18:2)+H_1 0.020285904 0.022839651 0.016653671 0.019647755 0.025103562 0.021602921 0.004923615 0.007228693 0.005140994 0.004068636 0.004627006 0.004564944 0.010520185 0.008821783 0.008703754 0.0128516 0.013903812 0.009259078 PE(20:5_24:0)+H 0.001128329 0.001417989 0.000808071 0.000925596 0.00126204 0.00100102 0.000129955 0.000261863 0.000160192 0.000178204 0.000250184 0.000132862 0.000377926 0.000367235 0.000522524 0.000641846 0.000510628 0.000379122 TG(16:0_18:0CHO_18:1)+NH4 0.010404854 0.007479766 0.005465276 0.010093916 0.008204871 0.007867109 0.000589357 0.000573712 0.001007207 0.000679321 0.000850848 0.000845932 0.001781866 0.001911343 0.001823837 0.0033341 0.002534736 0.001848615 PC(17:1_20:5)+Na_2 0.019884978 0.02834631 0.007721034 0.022202183 0.022291601 0.022130562 0.000380239 0.000725334 0.001391656 0.00024731 0.00137416 0.000380488 0.004395244 0.003337754 0.002686556 0.001763576 0.004528959 0.003527656 PE(15:1_20:4)+H 0.003567158 0.004173941 0.002306457 0.003534533 0.004375549 0.003804772 0.000338972 0.000889627 0.000638039 0.000465404 0.000814273 0.000472909 0.001450406 0.001233868 0.001737945 0.002466908 0.002083483 0.001484967 TG(15:0_14:1_16:1)+NH4_2 0.078929426 0.078077303 0.045564912 0.066313104 0.074032206 0.070033805 0.001731084 0.008709616 0.00819235 0.006009916 0.009839324 0.005538279 0.018494856 0.01675148 0.024999268 0.030856928 0.022979474 0.0150221 PE(17:0_17:0)+H_1 0.021304541 0.021207641 0.013029151 0.019156117 0.024878077 0.019284981 0.001625417 0.003320706 0.003805309 0.002837729 0.003612814 0.002646197 0.006014307 0.005174002 0.006631944 0.008805156 0.007309384 0.00529369 PE(18:1_18:3)+H_1 0.055750808 0.060058606 0.04285424 0.05076842 0.058409064 0.048737932 0.00460251 0.01548744 0.010570836 0.009260613 0.014793449 0.00976979 0.022449299 0.019181229 0.026621168 0.030912598 0.031183154 0.021294569 PE(17:0_18:3)+H 0.035182223 0.039876357 0.028956575 0.035169563 0.047581326 0.036226213 0.003905371 0.010651883 0.007765041 0.007539776 0.00873206 0.007058541 0.014291253 0.012706604 0.016667544 0.021048924 0.019118721 0.014272139 DG(17:0_20:3)+NH4 0.003758208 0.004285659 0.002499703 0.002716489 0.004232819 0.006240013 0.00046127 0.000626547 0.000461752 0.000419836 0.000415428 0.000682801 0.001938524 0.001453824 0.001254341 0.000854088 0.001213436 0.001667439 LPE(20:3)+H_1 0.014016413 0.005844449 0.007824397 0.014314115 0.012048851 0.010485227 0.003052649 0.003128158 0.003238672 0.003238171 0.004029496 0.00278343 0.006156529 0.005736386 0.006977705 0.00813709 0.008275843 0.004513653 TG(15:0_16:0_17:1)+NH4 0.090905278 0.122686839 0.090404273 0.096837949 0.127970853 0.09786532 0.047276137 0.060867803 0.061310264 0.036281634 0.049528196 0.051784135 0.095573599 0.075987323 0.079386107 0.100180395 0.107535146 0.074489667 PC(16:1_20:5)+Na_1 0.023185529 0.029842977 0.021680085 0.0230278 0.02410696 0.023136155 0.003476082 0.007319683 0.004657647 0.004475597 0.006288052 0.004249737 0.014280183 0.014408118 0.015340758 0.006951925 0.016187355 0.012191765 PE(18:1_19:0)+Na 0.00191588 0.002361713 0.001572874 0.00198349 0.002121574 0.001857057 0.000618784 0.000768625 0.000522451 0.000411449 0.000521799 0.000539768 0.001402943 0.00110674 0.001163021 0.001958972 0.001784939 0.001130737 TG(17:1_17:1_20:2CHO)+NH4_1 0.00431591 0.003022466 0.001447343 0.001898021 0.003891304 0.001838878 0.00020905 0.000443507 0.00042992 0.000291768 0.000443748 0.000247233 0.000879364 0.000630551 0.000758195 0.001016995 0.000706651 0.00060951 TG(19:1_19:1_19:1)+NH4 0.002504643 0.004431218 0.002609583 0.001338718 0.004715348 0.003397191 0.000300801 0.000764268 0.000409668 0.000532237 0.000642413 0.00052848 0.001617772 0.001407931 0.000991163 0.001872286 0.001379697 0.001004781 PE(P-18:1_18:2)+H 0.007382827 0.007971894 0.006206977 0.00565012 0.008237812 0.006826815 0.00092391 0.002702294 0.001750172 0.001804312 0.002512137 0.001407048 0.0034397 0.003467782 0.00460317 0.004566942 0.004681947 0.003193726 TG(15:0_18:0CHO_18:1)+NH4_2 0.011013448 0.009968193 0.005238096 0.010139418 0.009471861 0.011294138 0.000248481 0.000616554 0.000483642 0.000442981 0.000588053 0.000340335 0.001678256 0.001380447 0.001859124 0.002572578 0.001744951 0.000945138 PE(P-19:1_20:3)+H_1 0.00331182 0.00335805 0.001669421 0.003271255 0.002973558 0.003110094 0.000787706 0.001215429 0.000924666 0.000748091 0.001161174 0.000680552 0.001475974 0.001566592 0.002022858 0.002296105 0.002000828 0.001530616 PE(P-18:0_17:0)+H 0.022861438 0.022869533 0.01515681 0.016193037 0.022987639 0.021118153 0.002811037 0.004987611 0.004735814 0.003292162 0.004264446 0.003154409 0.006219034 0.006328776 0.008013908 0.00950556 0.00843748 0.006475001 TG(18:0CHO_17:1_17:1)+NH4_3 0.029858025 0.016371781 0.01437987 0.015572833 0.02291415 0.020873931 0.000829927 0.001417974 0.001084955 0.000836261 0.001465454 0.001062482 0.002220416 0.003033899 0.004658282 0.004708331 0.002814313 0.003254318 TG(18:0_20:5_20:5)+NH4 0.024961406 0.027108277 0.021400206 0.024777984 0.021922745 0.019940987 0.003120758 0.004167485 0.004107316 0.002648461 0.004514202 0.002470478 0.005757893 0.007305256 0.00821937 0.009180414 0.00742098 0.005408863 PE(17:0_20:5)+H_2 0.082915937 0.105798541 0.068460196 0.089149101 0.106749732 0.085700094 0.022119915 0.027107913 0.021888191 0.014780574 0.017101258 0.017597084 0.040940264 0.032180649 0.042127845 0.053243316 0.055185629 0.034876062 PE(22:0_20:4)+H 0.004197861 0.004586956 0.002743032 0.003508795 0.004058018 0.003641778 0.000576957 0.000925625 0.000754898 0.000577494 0.00097255 0.000562658 0.001412381 0.00154635 0.001991531 0.002659339 0.001962908 0.001486477 PE(18:0_22:0)+Na 0.003733894 0.004083222 0.002565369 0.003248917 0.003819031 0.00325579 0.000760787 0.001193247 0.000859765 0.000814893 0.001104564 0.000805187 0.001929386 0.001821277 0.002425674 0.003360939 0.002510383 0.001795396 PE(P-17:0_18:2)+H_2 0.01953441 0.025252452 0.017442336 0.021575457 0.026455375 0.021812738 0.002425132 0.00794851 0.002104051 0.004068636 0.004404471 0.004456328 0.010562647 0.008638328 0.009990085 0.014468002 0.014180317 0.009912442 TG(16:0_18:1_19:1)+NH4_2 0.446215224 0.517498789 0.397239386 0.434588041 0.604300996 0.410844189 0.225286262 0.304069352 0.265156921 0.243000118 0.262696564 0.22921449 0.376923802 0.339200441 0.388358618 0.425079835 0.466752779 0.326272409 PE(18:3_17:1)+H_1 0.01911456 0.020611808 0.014787785 0.018436183 0.021681501 0.019396972 0.002453704 0.006419317 0.00464523 0.004278773 0.005112615 0.004148029 0.006972858 0.008154345 0.011179936 0.011426718 0.011912684 0.008966189 PE(14:0_16:1)+H 0.008266456 0.008527789 0.005606272 0.007354705 0.009373209 0.007099875 0.000949986 0.001999502 0.00166328 0.001446475 0.002178161 0.001454752 0.003765789 0.002929171 0.004634118 0.005880518 0.00478116 0.003254335 TG(6:1COOH_18:1_18:1)+Na 0.023871289 0.026419667 0.016127659 0.020496987 0.0254955 0.021180267 0.003260902 0.005332214 0.003873054 0.003323611 0.005326636 0.003129264 0.007704558 0.007374825 0.009912169 0.013062807 0.01054198 0.007769853 PE(18:0_20:4)+H_2 0.049291449 0.053972736 0.033431646 0.042956054 0.052536611 0.043725844 0.006934268 0.010619563 0.007888336 0.006625908 0.011117085 0.006290737 0.015878832 0.015034163 0.020258259 0.026945407 0.02235322 0.016110259 TG(13:0_15:0_17:0)+NH4 0.03812014 0.049680362 0.026062308 0.049381914 0.048509917 0.043903916 0.00211482 0.003925812 0.00725084 0.004001468 0.006496556 0.003867957 0.010065841 0.009673006 0.011827455 0.015599891 0.013971334 0.009019049 TG(13:1_14:1_14:1)+NH4 0.012139605 0.012473083 0.005713909 0.009786604 0.009705883 0.010302973 0.000289918 0.002862142 0.001940541 0.001906362 0.002571078 0.001850063 0.003337611 0.004198344 0.004578494 0.004864715 0.004921215 0.00378956 DG(19:1_18:2)+NH4_2 0.005830835 0.003665438 0.002795026 0.002612296 0.002247589 0.003209715 0.000254339 0.000500454 0.000245836 0.000252784 0.000284923 0.000317624 0.000934481 0.000762751 0.001166556 0.000479688 0.000820728 0.000951497 TG(18:1_19:1_19:1)+NH4_1 0.485630504 0.613197161 0.431507756 0.430811026 0.546882887 0.411734907 0.127540443 0.220277538 0.204983957 0.175408832 0.211739089 0.163970382 0.261242554 0.272515998 0.275697081 0.291244795 0.288604361 0.239052348 TG(14:0_17:0CHO_18:1)+NH4 0.003126286 0.002551746 0.001411057 0.002486303 0.002521155 0.00220731 0.000171734 0.000175523 0.000248091 0.000233318 0.000134018 0.000140755 0.000486227 0.000380725 0.000560884 0.000542492 0.000860003 0.000489007 TG(19:1_2:0_20:5)+NH4 0.00126695 0.00150646 0.000596586 0.001055463 0.001257388 0.001749085 5.26E-05 0.000120194 0.000135275 4.64E-05 0.000163476 5.84E-05 0.000194225 0.000239196 0.0003591 0.000244634 0.000330845 0.000249432 DG(18:1_20:4)+NH4_2 0.020220511 0.017503402 0.006973068 0.009851641 0.012102392 0.01453655 0.001939907 0.002778562 0.001861439 0.001440221 0.002613827 0.002212155 0.004864624 0.003194291 0.005592745 0.004214831 0.003671144 0.004178584 PE(P-18:1_18:1)+H_1 0.040548567 0.041437834 0.030452634 0.032856402 0.043279775 0.033832047 0.006692221 0.016389602 0.012441621 0.011681795 0.017551805 0.011094153 0.021252206 0.020523135 0.023117542 0.027631456 0.026489709 0.021226713 TG(14:1_15:1_20:5)+NH4 0.007344556 0.009240201 0.003911723 0.007213354 0.007094585 0.007537629 0.000784836 0.002657402 0.00128953 0.00141028 0.001807792 0.001242218 0.002556189 0.004167579 0.003517495 0.005375312 0.004181371 0.00404995 PC(18:0_20:5)+Na 0.008607607 0.012033309 0.007039334 0.006972944 0.010201486 0.008700148 0.001358377 0.002406301 0.002071924 0.001077242 0.001724505 0.001028156 0.003990572 0.002604913 0.004806713 0.004999552 0.006264836 0.004347039 PE(O-17:1_22:1)+H 0.006556556 0.006306853 0.004112345 0.005555858 0.006905917 0.006081545 0.001708319 0.002074953 0.001699766 0.001598608 0.002023806 0.001530265 0.002578521 0.002681118 0.002563344 0.003241664 0.003153699 0.002229716 DG(18:1_19:4)+NH4 0.002170985 0.001859068 0.001233869 0.0021428 0.001710024 0.001637795 0.000538915 0.000524135 0.000414622 0.000380573 0.000444934 0.000458862 0.001286181 0.001030036 0.001708026 0.001010312 0.000777884 0.001141286 PE(12:1CHO_24:2)+H 0.001982313 0.000653693 0.001339285 0.001668185 0.001663727 0.001326743 0.000247769 0.000261685 0.000487873 0.000443731 0.000553802 0.000377484 0.000963759 0.000884084 0.000944496 0.000997433 0.001300399 0.00060165 Ch+H-H2O 0.009087955 0.012535709 0.026500714 0.013587684 0.020620045 0.009682708 0.073609497 0.055564252 0.061945772 0.058147227 0.058469082 0.056352865 0.047540129 0.027195653 0.032047317 0.035033377 0.026132026 0.046807676 TG(18:0CHO_17:1_18:1)+NH4_3 0.019745595 0.022107451 0.010018485 0.025360362 0.024528369 0.028492449 0.00162929 0.001321827 0.001904785 0.00115818 0.002093617 0.001474293 0.004363175 0.003763635 0.004068985 0.005040072 0.003091864 0.002356338 TG(17:0_18:1_19:1)+NH4 0.465762579 0.542268555 0.413740263 0.432274386 0.540072013 0.441100262 0.137654308 0.186936417 0.189684083 0.156740492 0.208180323 0.157419066 0.294142759 0.285199078 0.303403481 0.265023464 0.324687092 0.203602295 TG(15:0_18:0CHO_18:1)+NH4_3 0.00660683 0.00413846 0.001582422 0.005143125 0.004728911 0.005401706 0.000105609 0.000264297 0.000636508 0.000228113 0.000431144 0.000179328 0.001624274 0.000720733 0.001509758 0.001118934 0.001315423 0.000841167 PE(21:0_18:1)+H 0.023542101 0.02490917 0.017968636 0.023909024 0.029086911 0.02321816 0.00562426 0.008119926 0.007241802 0.005913091 0.008023409 0.007114251 0.013085389 0.010904004 0.012625317 0.017052978 0.015461673 0.009963597 TG(15:0_18:0CHO_18:1)+NH4_4 0.01483777 0.010739412 0.006126123 0.009827874 0.008538933 0.0103067 0.000259644 0.000742908 0.000617775 0.00046489 0.000779984 0.000591377 0.001436136 0.001719693 0.002601929 0.002759618 0.001779198 0.001316258 PE(21:0_20:3)+H 0.003180806 0.004621359 0.002538456 0.0035923 0.004152353 0.003513008 0.001094334 0.00131972 0.001055376 0.000788671 0.000917002 0.000977859 0.002113845 0.002076607 0.00237024 0.00355858 0.002843822 0.00178632 PE(12:0_18:0)+H 0.00399226 0.003876743 0.003143226 0.003670556 0.004457655 0.003723394 0.000733033 0.000978059 0.000708437 0.000722493 0.000967195 0.000752347 0.002155594 0.001587153 0.002524575 0.003662798 0.002838106 0.001849295 PE(14:0_16:0)+Na_2 0.002015006 0.002269474 0.001570116 0.002134909 0.002888338 0.002023282 8.42E-05 0.000440569 0.000315924 0.000240896 0.000404541 0.000227267 0.00082357 0.000544818 0.001255188 0.001316346 0.001227734 0.000847531 PC(4:0_21:5CHO)+H 0.008983383 0.001220113 0.004426023 0.002995164 0.002883451 0.003952217 0.001129704 0.000739776 0.000923814 0.000852158 0.001209364 0.000886242 0.005468243 0.003951771 0.0021072 0.002614686 0.003173901 0.003696638 PE(20:5_26:0)+H 0.002170788 0.002979026 0.001532398 0.002002787 0.002367757 0.002157744 0.000393151 0.000556658 0.000351505 0.000287569 0.000487133 0.000329022 0.000784425 0.000837759 0.00099876 0.001458837 0.001122528 0.000792426 TG(12:0_14:0_16:0)+NH4_2 0.003613647 0.003408752 0.0017399 0.002147499 0.002973311 0.002761906 0.000299304 0.000291302 0.000493821 0.000171273 0.00022306 0.000224453 0.000884331 0.001208427 0.001363474 0.001491725 0.002027519 0.000751453 DG(20:0_18:2)+NH4 0.001804075 0.002181446 0.001527979 0.001586328 0.001779057 0.001897368 0.000458587 0.00023352 0.000445259 0.000266032 0.00037091 0.000371139 0.001209748 0.001536567 0.000622407 0.000902464 0.000920925 0.001091032 PE(P-19:0_18:1)+H_1 0.097238335 0.116375066 0.075692711 0.097065535 0.13183291 0.102192244 0.019927412 0.02809611 0.024383188 0.017738797 0.020464528 0.023093692 0.044187774 0.038364697 0.038136577 0.054799003 0.056005391 0.03249617 TG(18:1_20:1_20:5)+NH4 0.007786132 0.011379016 0.009367537 0.007103613 0.00905435 0.008316141 0.002904484 0.003540264 0.003429163 0.001924713 0.00387705 0.00241029 0.005014722 0.004964758 0.004453 0.004868571 0.004983082 0.004179496 PC(18:2_18:0)+Na 0.005284193 0.00654111 0.005731723 0.00542184 0.004982546 0.005230737 0.00236299 0.002646975 0.003338697 0.002675935 0.003363441 0.00189232 0.004991279 0.004728961 0.004865019 0.00358579 0.005857144 0.004262056 TG(14:0_13:1_15:1)+NH4 0.082160603 0.079077715 0.039406511 0.066172898 0.070187062 0.075456852 0.003446566 0.003337803 0.00252517 0.001944628 0.002200114 0.001828302 0.018677266 0.023022161 0.024920695 0.012552469 0.026403263 0.006945416 TG(17:1_18:1_20:3)+NH4 0.124654156 0.160675432 0.135794871 0.122087894 0.157288102 0.126410791 0.038546351 0.060414959 0.052098362 0.045442542 0.060090228 0.043482907 0.072649306 0.075769391 0.070687167 0.086176672 0.082234928 0.064503162 PE(O-19:2_20:4)+H 0.00869913 0.00948907 0.005231494 0.007196889 0.00914321 0.007733889 0.001267832 0.002304569 0.001454679 0.001171706 0.001677813 0.00116206 0.00274477 0.002689314 0.003253996 0.004483687 0.003797025 0.002758957 TG(19:1_20:3_20:5)+NH4 0.018173027 0.023158772 0.014170535 0.018078375 0.019878455 0.01693262 0.004652348 0.005425962 0.005241603 0.003324513 0.005161203 0.003637305 0.006951864 0.007127219 0.007039959 0.008895815 0.007594301 0.006076936 PE(20:5_14:0)+H 0.010927554 0.013149078 0.008332992 0.009703723 0.011168252 0.009428932 0.000826535 0.001872142 0.001302707 0.001016112 0.001590443 0.000871787 0.003614367 0.003256259 0.004510148 0.006395556 0.005516433 0.002721459 PE(P-19:1_20:3)+H_2 0.00471801 0.005624069 0.004480162 0.003985425 0.006147479 0.005490518 0.001147443 0.001502208 0.001139722 0.000822183 0.001102819 0.000827369 0.00232244 0.002325953 0.001711482 0.003050239 0.003075413 0.001892869 PE(18:3_19:0)+H 0.011934707 0.01105387 0.008509874 0.011047258 0.014774278 0.011918906 0.001092763 0.003422861 0.002286692 0.002030299 0.002378179 0.002320522 0.004524875 0.00558232 0.005994828 0.007907274 0.008424659 0.004373288 DAP(O-14:0_O-6:0)+H 0.001063805 0.001216102 0.001272296 0.001142721 0.001358664 0.000815184 0.001620108 0.001607285 0.001576906 0.001375661 0.001454702 0.001568477 0.001322247 0.001024523 0.001210074 0.001207709 0.001332595 0.001039675 PC(9:0COOH_25:1)+H 0.002992381 0.001137997 0.003309105 0.003137452 0.003061696 0.002893527 0.00089786 0.001056106 0.00139025 0.001186278 0.002268511 0.000840951 0.003825205 0.003599606 0.002941007 0.002998927 0.004580119 0.002133539 Cer(d17:1_18:0)+H 0.001330534 0.00133603 0.000838507 0.001045066 0.001404678 0.001311432 0.000247134 0.000316232 0.000363558 0.000200804 0.000472406 0.000311803 0.000597393 0.000547796 0.000457389 0.00053036 0.00055979 0.000533751 TG(17:0_18:0_21:0)+NH4 0.004683597 0.005416949 0.002885943 0.004573218 0.005443231 0.004447939 0.000292361 0.000823191 0.000809678 0.000709442 0.000597327 0.001355176 0.001560788 0.001797232 0.001871986 0.001617071 0.002335555 0.001389042 PE(20:5_27:0)+H 0.000558137 0.000770551 0.000370984 0.000416506 0.000687652 0.000503168 0.000219039 0.000267739 0.000199887 0.000222247 0.000284192 0.000167733 0.000363407 0.000411298 0.000584896 0.000626878 0.000510044 0.000370564 PC(11:2CHO_28:3)+H 0.001615323 0.000346279 0.001302995 0.001614604 0.001266236 0.001248187 0.001067766 0.000891022 0.000898074 0.000775662 0.001033178 0.000725149 0.001410671 0.001496353 0.001334685 0.001117347 0.001434393 0.001157897 PE(O-18:0_18:3)+H 0.002330782 0.001910863 0.001398675 0.00208381 0.002947491 0.002047222 0.000714268 0.000699093 0.000746398 0.000492534 0.000757892 0.000601909 0.00117128 0.00115938 0.001576282 0.001520269 0.001704693 0.000903803 PE(P-19:1_20:4)+H 0.008665162 0.009500983 0.005510539 0.007190521 0.009441406 0.007753941 0.001270485 0.002350036 0.001566895 0.001211969 0.001834415 0.001158165 0.002752972 0.002669568 0.003246378 0.004480083 0.003772027 0.002903905 DG(19:1_20:5)+H 0.001161322 0.000945422 0.000534842 0.000739289 0.000805405 0.000958081 0.000134719 0.00024464 0.000144448 0.000124396 0.000176144 0.000101556 0.000241305 0.000305711 0.000375841 0.000346687 0.000247768 0.000356576 TG(16:1_18:2_20:5)+NH4 0.051873041 0.121284198 0.048290348 0.090544782 0.041609095 0.055807075 0.002471063 0.009348338 0.013722335 0.006318729 0.01386381 0.005187027 0.027755223 0.030455462 0.036226907 0.025583626 0.025422121 0.013828027 TG(17:1_20:5_20:5)+Na 0.003294191 0.00479081 0.003331546 0.002821892 0.003953912 0.003421626 0.00084898 0.001404032 0.00122258 0.000891172 0.001293745 0.000853937 0.001865761 0.00168586 0.00149985 0.002223258 0.001991138 0.001686917 PC(18:4COOH_16:0)+H 0.002987902 0.000909145 0.001927959 0.002891741 0.002506947 0.001535481 0.001711265 0.001328947 0.001211314 0.001441061 0.001773449 0.001668859 0.003419269 0.003738081 0.002886206 0.002876472 0.002926816 0.001822184 TG(17:1_17:1_17:1)+NH4_1 0.020263023 0.023485098 0.013435954 0.018342237 0.019786544 0.017362113 0.009169042 0.013808333 0.011310197 0.00863711 0.011249129 0.008131259 0.01368323 0.016774104 0.018568044 0.01794448 0.020507601 0.015115876 Cer(d17:1_24:2)+H 0.002925652 0.0038458 0.002175721 0.002904279 0.002908814 0.002749242 0.000381479 0.000729862 0.000555765 0.000493044 0.000693384 0.000454436 0.00103207 0.000762584 0.000908787 0.001009047 0.000889075 0.000826469 TG(17:1_20:5_20:5)+NH4_2 0.009880905 0.01119121 0.005052972 0.011083489 0.009667635 0.011084699 0.000469069 0.000745536 0.000779527 0.000344271 0.000967461 0.000704336 0.003154393 0.002798178 0.002304718 0.004711235 0.002438408 0.001688522 PC(20:5_20:2CHO)+H 0.001632689 0.001079681 0.001179912 0.001514676 0.000988455 0.001633986 0.000231221 0.000368402 0.00017596 0.000216974 0.000330462 0.000241532 0.001056156 0.000531984 0.000586624 0.000994733 0.000994144 0.000581532 TG(22:0_19:1_18:3)+NH4 0.033887787 0.0431337 0.028729763 0.029524322 0.03747803 0.030162941 0.007955108 0.011471336 0.009134872 0.00823257 0.010907179 0.007720044 0.012902695 0.015306872 0.016236274 0.019888641 0.020862935 0.014114473 TG(19:1_20:5_20:5)+NH4_2 0.069030503 0.082484622 0.041228738 0.059271698 0.071384984 0.065042464 0.008263697 0.012516133 0.009232889 0.007224802 0.01033004 0.006290492 0.013498175 0.015874569 0.016204019 0.021156355 0.018049511 0.01382092 TG(16:0_17:1_18:1)+NH4_1 0.388182645 0.568568499 0.384413827 0.395816106 0.486465123 0.390279352 0.314459331 0.368995509 0.265907794 0.294724689 0.361847447 0.274050029 0.47384683 0.381483902 0.421948972 0.492272515 0.513465199 0.420254657 PE(16:2_18:1)+Na_1 0.001557318 0.001757684 0.001064075 0.00134637 0.001731961 0.001376755 7.02E-05 0.000381214 0.000293299 0.000144108 0.000369902 0.0001339 0.000492893 0.000495637 0.000542996 0.0007237 0.000690993 0.000517117 TG(17:1_18:1_20:4)+NH4 0.207865902 0.273517329 0.186142953 0.216339873 0.225634384 0.249915956 0.038940059 0.072796401 0.064742114 0.051115764 0.066519824 0.051606454 0.086182414 0.097094031 0.107324623 0.111658472 0.12398357 0.078347168 PE(P-18:0_20:1)+H 0.026458988 0.031352001 0.020110148 0.022542795 0.031212833 0.025700302 0.004675785 0.007437402 0.006142709 0.005430604 0.007274981 0.00484352 0.009676981 0.009884609 0.011664738 0.015240912 0.012719677 0.009001003 DG(P-17:3_26:1)+NH4 0.006078199 0.006523613 0.003068479 0.005166501 0.00490214 0.004864286 0.000395318 0.000485919 0.000471071 0.000280608 0.000315849 0.000199364 0.000676008 0.001000635 0.001235635 0.001960666 0.001621511 0.001406707 TG(18:1_18:1_20:3CHO)+NH4_2 0.004348941 0.004353856 0.001714152 0.004428398 0.004422708 0.003794646 0.00012316 0.000221732 0.000128022 0.0002279 0.000363141 0.000154975 0.00054601 0.000863578 0.00092018 0.001094344 0.000827835 0.00037649 TG(16:1_18:1_20:5)+NH4 0.140174208 0.240122376 0.156869528 0.204989126 0.215919169 0.212200681 0.019559053 0.02558262 0.023803121 0.016576831 0.027719317 0.028695188 0.061073268 0.066465994 0.062303744 0.059151893 0.049445134 0.027624854 PE(20:5_19:2)+H_1 0.000979694 0.001718161 0.001271509 0.001235999 0.001328391 0.001221898 0.00018148 0.000447843 0.000218655 0.00020021 9.23E-05 0.000228096 0.000687547 0.000527991 0.000403815 0.000535288 0.000741246 0.000549575 AcCa(17:2)+H 0.002061233 0.002085944 0.001614075 0.002036796 0.001792229 0.00224495 0.001029382 0.000895609 0.000920204 0.000971613 0.000951891 0.001233474 0.001489327 0.00115325 0.001380583 0.001428153 0.001609769 0.001343846 TG(7:0_15:0_18:1)+NH4 0.009161008 0.008035234 0.003741112 0.007565587 0.007369345 0.00781217 0.000137086 0.000174499 0.000155832 0.000659455 0.000151476 0.000719777 0.000863714 0.001556854 0.001487551 0.001696548 0.001063479 0.000894334 PE(20:3_20:0)+H 0.005941446 0.006844971 0.004179433 0.005523151 0.006646263 0.0055538 0.001701802 0.002231496 0.001715966 0.001502578 0.002488951 0.001640295 0.003150053 0.002949557 0.003713232 0.004887465 0.004245259 0.002983584 TG(9:0_15:0_16:0)+NH4 0.006094912 0.008734343 0.00446532 0.006848699 0.006387163 0.005833162 0.000740314 0.000618575 0.000344181 0.000721356 0.000595494 0.000719023 0.001199596 0.001989765 0.002659836 0.002117495 0.002444922 0.001158979 PE(O-19:0_18:2)+H 0.01440786 0.016151486 0.012081661 0.01471969 0.017973052 0.014941912 0.002912734 0.005330824 0.004872361 0.003835761 0.005066461 0.004696274 0.008436284 0.006652415 0.00717909 0.008448543 0.009124512 0.005808488 TG(18:1_18:2_21:6)+NH4 0.013993855 0.020313479 0.01037558 0.014213863 0.017398938 0.014214153 0.001360185 0.003907203 0.003573207 0.002494342 0.003324949 0.002293165 0.005199169 0.005741295 0.006178608 0.008911967 0.008940106 0.005632071 PE(16:0_19:0)+Na 0.002824893 0.003178993 0.002056953 0.002932264 0.003065833 0.002564428 0.00055756 0.000831041 0.00069146 0.000461746 0.000549612 0.000516916 0.001285005 0.001038977 0.001221384 0.001746603 0.00185711 0.001046566 TG(18:1_18:1_19:1)+NH4_1 0.000462829 0.000575011 0.000482065 0.000577263 0.000521562 0.000605319 4.51E-05 0.00020218 0.000104345 9.08E-05 0.000144979 7.16E-05 0.000186332 0.000258643 0.000273335 0.00027546 0.000355609 0.000256524 PE(18:1_10:2CHO)+H 0.004044548 0.001118228 0.003835409 0.003408174 0.003694465 0.002759801 0.000803363 0.001494856 0.001773502 0.001478698 0.002016097 0.001258739 0.004010825 0.002377293 0.002802869 0.003438484 0.003521553 0.002345846 PE(P-18:1_18:1)+H_2 0.012941114 0.014787818 0.009849108 0.011904276 0.015509695 0.012146769 0.002926926 0.005616612 0.003811867 0.004098259 0.005495253 0.003700728 0.007406446 0.006857881 0.011018246 0.010423591 0.009682849 0.006737066 PE(20:5_19:1)+H_1 0.00152476 0.001706864 0.001531806 0.001301489 0.001560697 0.002043629 5.08E-05 0.000546838 0.000375829 0.000425718 0.000393855 0.000494279 0.000779443 0.001072928 0.00111087 0.001381207 0.001080331 0.000651178 TG(17:0_20:5_20:5)+NH4 0.16264879 0.081235387 0.094765224 0.141560301 0.158082451 0.155570378 0.010960758 0.019417613 0.018559932 0.012595433 0.018635385 0.012284536 0.034027754 0.040157635 0.025639224 0.023710209 0.046295647 0.03561518 PE(19:2_16:0)+Na 0.003012064 0.004160507 0.002967642 0.003553959 0.004878143 0.004001394 0.000455811 0.0008591 0.000621021 0.000369187 0.000566995 0.000454103 0.00142993 0.0010162 0.001225231 0.002041523 0.001458258 0.001085804 PE(20:5_20:1)+H 0.010534824 0.012123582 0.008046347 0.008109208 0.011159055 0.00927558 0.000803544 0.002678915 0.001946464 0.001975986 0.002870768 0.00145261 0.003432454 0.003452424 0.004074271 0.004443133 0.004298182 0.003186041 PE(18:2_16:1)+Na 0.000823645 0.00100144 0.000484778 0.001060512 0.000709821 0.000523499 7.77E-05 0.000346041 5.87E-05 9.33E-05 0.000264848 0.000175109 0.000371056 0.000351312 0.00058609 0.000496781 0.000448645 0.00053225 TG(16:1_17:1_18:3)+NH4 0.118793268 0.155648081 0.078018068 0.118577824 0.123705696 0.118623299 0.023443003 0.019045307 0.020395779 0.014939069 0.018165445 0.012598006 0.040211797 0.037326475 0.03789345 0.057870493 0.047522236 0.025602841 TG(14:0_15:0_17:0)+NH4 0.031779381 0.042176595 0.02350627 0.036824506 0.041216561 0.033544615 0.006703627 0.008828702 0.009354949 0.007476801 0.01150653 0.005580305 0.014474683 0.013543364 0.015384445 0.01998416 0.019513937 0.012251478 TG(15:0_17:0_17:0)+NH4_1 0.00772954 0.010406397 0.009366393 0.009408181 0.012258005 0.007905523 0.007535533 0.005765783 0.005011188 0.004368166 0.005801188 0.005851898 0.009834401 0.0073409 0.01215816 0.01393327 0.011681062 0.009687556 PE(18:3_20:0)+H 0.004959994 0.004897092 0.003092595 0.004309747 0.004970803 0.004343291 0.000750914 0.001695908 0.001315445 0.001189884 0.001918474 0.001197555 0.002256166 0.002082127 0.002726121 0.00330079 0.002884372 0.002256531 PC(22:0COOH_13:1)+H 0.0045099 0.000861032 0.003939452 0.004086549 0.003323066 0.002708936 0.00280928 0.001857743 0.002740755 0.0027769 0.003721461 0.002631364 0.006685942 0.00490346 0.004812683 0.005476057 0.005378853 0.00351644 TG(15:0_17:0_18:1)+NH4_1 0.061471505 0.081053286 0.063268958 0.06122832 0.082610457 0.058706559 0.018953132 0.017125717 0.0284067 0.025988953 0.032581782 0.02284608 0.036687371 0.039904904 0.042717867 0.037444632 0.045472614 0.032486251 PE(18:0_18:1)+H 0.222801939 0.22668324 0.157402538 0.20257743 0.253732717 0.187163366 0.053460853 0.066642578 0.058610828 0.052968809 0.07946861 0.05327069 0.101605056 0.087445637 0.114307743 0.147275504 0.129776671 0.090348147 TG(13:1_15:1_17:1)+NH4 0.070526804 0.080275488 0.040682623 0.062066519 0.065755046 0.066353066 0.067951877 0.057166426 0.042180764 0.033051328 0.042289914 0.035631061 0.063272882 0.087709813 0.082936827 0.086749454 0.096833341 0.073718469 PC(34:6_4:0CHO)+H 0.002733064 0.001464429 0.00167629 0.000979565 0.022908368 0.014107137 0.001443936 0.000546936 0.001044055 0.001421837 0.000537457 0.000916811 0.001620467 0.017131823 0.014722738 0.015657262 0.018517168 0.011481768 PE(16:0_20:3)+Na 0.002827163 0.002294122 0.001621143 0.001885374 0.002688449 0.002179827 0.000282271 0.000563354 0.000465518 0.000299976 0.000553242 0.000285652 0.001050786 0.000862969 0.001016006 0.001828564 0.001170506 0.0009567 PE(16:2_18:1)+Na_2 0.001557318 0.001757684 0.001064075 0.00134637 0.001731961 0.001376755 7.02E-05 0.000381214 0.000293299 0.000144108 0.000369902 0.0001339 0.000492893 0.000495637 0.000498528 0.0007237 0.000690993 0.000517117 PE(20:5_16:1)+H_1 0.001751013 0.001697302 0.001438265 0.001247814 0.001790892 0.001414876 5.63E-05 0.000389498 0.00028849 0.00014112 0.000360923 0.000123336 0.000478473 0.000516739 0.00051527 0.00070097 0.000717097 0.000499022 TG(7:0_15:0_15:0)+NH4 0.000955826 0.000807245 0.000396666 0.000778025 0.000897094 0.000836778 3.65E-07 1.50E-05 0.00013315 3.96E-05 2.25E-07 1.12E-07 0.000127593 0.000124985 0.000166345 0.000194133 0.000197501 0.000121381 TG(14:1_15:1_18:2)+NH4 0.04018542 0.081834113 0.046276494 0.065615824 0.018588006 0.072544248 0.003607678 0.013642619 0.008997505 0.008850264 0.012237113 0.007433534 0.03324336 0.019025098 0.028321188 0.023859993 0.017715601 0.018039987 PE(O-19:1_20:4)+H 0.005925242 0.005643537 0.004448204 0.004988154 0.007448681 0.006370813 0.000808572 0.001461309 0.001134189 0.000834585 0.000876686 0.000826268 0.002329882 0.001733885 0.002309117 0.003053552 0.003638065 0.001896767 PC(18:3_20:3)+Na 0.011294074 0.013621747 0.008930254 0.010455311 0.012567328 0.010988559 0.001259511 0.002200021 0.001385482 0.001365537 0.001898746 0.001203594 0.006152578 0.007654196 0.008879994 0.008176804 0.009433616 0.017844208 PE(18:1_18:3)+H_2 0.016513375 0.015735344 0.014055716 0.013547074 0.018029053 0.014007406 0.00131622 0.004926649 0.003728171 0.003245761 0.004819047 0.003028085 0.006844076 0.00571933 0.008091071 0.007914632 0.007570389 0.00541857 TG(22:0_19:1_20:4)+NH4 0.005446972 0.007631864 0.004746197 0.006095486 0.006690319 0.006496749 0.000632687 0.000893429 0.000806667 0.000675472 0.00099778 0.000675573 0.001328244 0.001825496 0.001730627 0.002683655 0.002108501 0.001301987 TG(5:0_15:0_16:0)+NH4 0.002546932 0.002788414 0.001517161 0.002720106 0.002501879 0.002740098 0.00051517 0.000447899 0.000380883 0.000521877 0.00051904 0.000522828 0.000649185 0.000709014 0.000803056 0.000986517 0.000781192 0.000636908 TG(17:0_18:1_18:1)+NH4 0.004559194 0.002272961 0.002354805 0.004047264 0.003355719 0.002107235 0.000260812 0.000830788 0.001000757 0.001022929 0.000348044 0.000557482 0.002977656 0.001758781 0.003886184 0.00228465 0.002638498 0.001445015 DG(18:2_20:4)+NH4_2 0.009659621 0.006658148 0.003014811 0.004212046 0.005972091 0.005922907 0.000161718 0.001965473 0.000327181 0.000263742 0.000445974 0.000298099 0.004284836 0.002275062 0.004767571 0.001829863 0.002548032 0.003603021 PE(15:0_15:0)+H 0.007053072 0.007480137 0.005200872 0.00739757 0.009182 0.006511677 0.000409761 0.001270961 0.001470591 0.000785341 0.001105722 0.001503159 0.002577812 0.002097413 0.002795234 0.004497094 0.003455683 0.002408153 PE(18:0_18:3)+H_2 0.010798442 0.011672097 0.008370845 0.009398184 0.012771319 0.009616386 0.001641572 0.003396059 0.002595772 0.002468177 0.003555947 0.002238526 0.004323161 0.003900189 0.004779246 0.005573488 0.005538011 0.003907477 PE(19:1_20:3)+H 0.020626291 0.022494704 0.013195153 0.017551106 0.022548191 0.018850684 0.005732606 0.005398992 0.003556986 0.004293695 0.005631381 0.004827342 0.0074766 0.008871694 0.009655437 0.01459204 0.010607601 0.008691942 TG(15:0_18:0CHO_18:1)+NH4_5 0.003410535 0.004282958 0.003007997 0.004702674 0.00390694 0.003423568 5.44E-05 0.000184852 0.000311591 0.000170681 0.000214489 0.000230293 0.001105418 0.000649551 0.000344213 0.000618216 0.00076631 0.000974237 TG(15:0_11:1_20:5)+NH4 0.006117653 0.00346708 0.001884344 0.002705657 0.003087645 0.003480795 0.000538815 0.000336938 0.000282655 0.000203867 0.000707181 0.000393339 0.000860197 0.000806318 0.001206195 0.001363588 0.001074425 0.000729282 PC(15:0_21:4)+H 0.010199451 0.009352642 0.004823692 0.007661755 0.010720395 0.008077339 0.000196741 0.000458978 0.000352588 0.000302032 0.000391008 0.000231898 0.000877869 0.000704709 0.000864756 0.001761329 0.001048256 0.001119997 TG(15:0_17:1_18:1CHO)+NH4_2 0.006941973 0.005415784 0.003222515 0.008321079 0.007012704 0.006183972 0.000313951 0.000866742 0.000278984 0.000225687 0.000407522 0.000287165 0.001220588 0.002234601 0.001390259 0.001844845 0.001414137 0.000759177 TG(16:0_20:4_20:5)+NH4_1 0.152774642 0.168458586 0.097467982 0.131142124 0.144461294 0.137277949 0.004975157 0.020811215 0.017117203 0.012443522 0.019576152 0.008516903 0.03296213 0.04146483 0.027717196 0.052537962 0.027454258 0.033648106 PE(16:0_20:3)+H 0.023419195 0.024262287 0.017934406 0.021324882 0.025509532 0.020590305 0.005869745 0.006955859 0.004753241 0.00477832 0.00672652 0.006018594 0.011190835 0.008929595 0.01198072 0.017980864 0.015272268 0.01024161 PC(20:4_20:4)+Na_2 0.002658201 0.002843809 0.002656413 0.002332583 0.003182573 0.002326336 0.000784475 0.001166694 0.000991462 0.000690814 0.00126852 0.000605198 0.001806456 0.001300477 0.002286936 0.003022941 0.002463735 0.002054774 TG(18:0CHO_17:1_19:1)+NH4_3 0.002489661 0.004190636 0.004108478 0.003077552 0.006673389 0.010911914 0.000381723 0.000835762 0.000445676 0.000303029 0.001331682 0.00069519 0.00164383 0.001908891 0.001380759 0.001903845 0.001173707 0.001517794 TG(14:0_17:1_18:3)+NH4_2 0.116763377 0.117953006 0.144929249 0.094402471 0.10957122 0.107281588 0.007895289 0.03930196 0.028269422 0.019569891 0.032815012 0.020554297 0.046334191 0.051659691 0.06805137 0.080962391 0.061279083 0.045183498 PE(16:0_16:0)+Na_2 0.008724411 0.010274095 0.007208316 0.007687094 0.010665122 0.008177586 0.000980283 0.002533345 0.002033167 0.001618806 0.002405656 0.001533813 0.003368752 0.002717779 0.00351878 0.004344348 0.004314129 0.00301069 PE(15:0_16:0)+H 0.01766742 0.020769786 0.014189737 0.017744738 0.022378194 0.017590904 0.003199914 0.004153667 0.003865543 0.003205152 0.004244144 0.00350483 0.007061604 0.005455142 0.00838238 0.011932044 0.009955969 0.006811244 PE(18:3_16:0)+H 0.008490652 0.010357229 0.007218957 0.00767829 0.010434102 0.008218504 0.000982801 0.002548941 0.001963726 0.001624392 0.0024038 0.001483355 0.003365467 0.002691238 0.003507143 0.004297976 0.004300997 0.002986088 TG(17:1_18:1_19:1)+Na 0.001630936 0.002090259 0.001651748 0.00172806 0.002129878 0.001581681 0.001710421 0.001847628 0.001564917 0.002009289 0.001917231 0.001991672 0.001529773 0.001486799 0.001042933 0.001371741 0.001365479 0.001443593 PC(20:5_18:1)+Na 0.005921981 0.008199061 0.007548587 0.0072587 0.007227735 0.007006214 0.001233129 0.001469358 0.001290026 0.000852439 0.001150752 0.000902553 0.0034251 0.001188036 0.004066714 0.004900072 0.004493372 0.004391672 PC(16:1_22:6CHO)+H 0.001002182 0.000198304 0.000506766 0.000831723 0.000675269 0.000635402 1.97E-07 0.000120972 9.01E-07 1.38E-06 0.000128298 5.59E-07 0.00047011 0.000667307 0.000258093 0.000622808 0.000892917 0.000262119 TG(22:0_19:1_20:3)+NH4 0.012579073 0.010623813 0.00747217 0.010901054 0.009280475 0.011471894 0.000710409 0.002297997 0.001785976 0.000926805 0.001131118 0.000718307 0.002546447 0.004162476 0.004517165 0.003201922 0.003407085 0.002231815 TG(18:1_18:2_20:3)+NH4 0.056117927 0.084228295 0.077674307 0.081712517 0.086567466 0.073701942 0.019698431 0.031507207 0.024907494 0.02327858 0.034055586 0.020156943 0.040656247 0.040934981 0.043232316 0.050095089 0.036876604 0.034103407 TG(14:1_15:1_18:4)+NH4 0.007018046 0.007035857 0.003625699 0.003890258 0.004585611 0.005050156 0.000544857 0.001606136 0.001228587 0.000979879 0.001305221 0.000910146 0.002391973 0.001924551 0.003200457 0.003169843 0.002203982 0.001785319 TG(18:0_16:1_16:1)+NH4 0.033783652 0.049992306 0.028967812 0.042263584 0.043913837 0.028473695 0.007960851 0.009431983 0.014682359 0.010995654 0.014975424 0.009194866 0.019541832 0.01859866 0.020311993 0.031138599 0.027980196 0.019276978 PC(16:0_20:5)+Na_1 0.005767712 0.00814593 0.006952203 0.005695224 0.007661419 0.005885987 0.00405321 0.004379682 0.003765264 0.003071806 0.003972923 0.002692732 0.005664866 0.005061117 0.005235479 0.006370537 0.007826753 0.005531529 PE(18:1_17:2)+H 0.011852707 0.014653798 0.009715199 0.01310199 0.015446038 0.011588774 0.0014962 0.003487764 0.002998815 0.002531058 0.003169439 0.002522205 0.006224599 0.004145304 0.005763116 0.00816173 0.007160039 0.004318502 PC(9:0COOH_26:5)+H 0.004027642 0.001283795 0.003482302 0.00357236 0.001865731 0.001651726 0.000597687 0.00142137 0.001220701 0.000985188 0.001403368 0.000626556 0.002543077 0.002525494 0.001728215 0.003140862 0.002983618 0.001617417 TG(15:1_17:1_18:1)+NH4 0.304240327 0.353194965 0.318306748 0.342416199 0.477664414 0.33034871 0.157090383 0.33970185 0.265001231 0.241746856 0.250878131 0.183996974 0.495427893 0.474701125 0.412631652 0.571095653 0.452830103 0.297629774 DG(17:1_18:3)+NH4_2 0.002297523 0.002276793 0.001829003 0.002388633 0.001827543 0.001811243 0.000163389 0.000674608 0.0002879 0.000293935 0.000395348 0.000271321 0.001402608 0.001305445 0.001470252 0.001446335 0.000628328 0.00068469 AcCa(14:1)+H_1 0.005785769 0.007133859 0.004192775 0.006088528 0.00610862 0.006889599 0.000966124 0.001871163 0.000700327 0.000836799 0.001834854 0.000982035 0.001518498 0.002987229 0.002912786 0.002943617 0.003312523 0.002676504 TG(17:1_19:1_18:2)+NH4_1 0.113254981 0.156149018 0.137126346 0.11551236 0.155135425 0.059457725 0.028046146 0.057179607 0.057675681 0.049138114 0.061224007 0.043376221 0.077097891 0.079197373 0.072124985 0.071889141 0.083535803 0.067145242 TG(13:1_15:1_18:2)+NH4_1 0.02374591 0.051182701 0.011813375 0.00813972 0.020096747 0.04057362 0.00271943 0.004580509 0.008579227 0.005170903 0.00260707 0.00573548 0.009399979 0.016106382 0.013733073 0.026680017 0.020086837 0.014776664 PE(16:0_17:0)+H 0.028626535 0.028716961 0.020142615 0.026155846 0.033190155 0.027067191 0.004831246 0.006544858 0.006488385 0.004884563 0.00660301 0.00501546 0.010143023 0.008382778 0.01142323 0.01633393 0.013181508 0.009275384 DG(16:1_18:2)+NH4 0.004035218 0.003754685 0.001333501 0.001826388 0.002093562 0.002616276 0.000263267 0.000671233 0.000329604 0.000198808 0.00016771 0.000274321 0.002239774 0.001109918 0.002473604 0.001828933 0.000782562 0.001269056 TG(14:1_15:1_16:2)+NH4 0.008727584 0.011221241 0.006061342 0.009643998 0.009381334 0.014704176 0.001694879 0.002668934 0.001421413 0.002046355 0.001944778 0.001440093 0.002209965 0.003874811 0.004142962 0.004417418 0.004327567 0.003161676 TG(17:1_18:1_18:1CHO)+NH4 0.017156376 0.005594238 0.003915752 0.016608976 0.013446909 0.013199669 0.000362929 0.000536659 0.001004096 0.000600177 0.000857465 0.000694578 0.003121991 0.002891026 0.00238826 0.002933345 0.002333252 0.000693394 TG(17:0_17:1_20:5)+NH4 0.23736583 0.300291389 0.18637527 0.2195631 0.273935753 0.219298386 0.048918074 0.079646043 0.072584662 0.054177915 0.074306675 0.051791844 0.100894968 0.094676655 0.111936485 0.138447469 0.123373552 0.083034678 LPE(14:0)+H 0.005313739 0.004761779 0.002451948 0.004468658 0.004781493 0.003915769 0.000390328 0.000771133 0.00061812 0.000482178 0.000725365 0.000587703 0.001278914 0.001029674 0.0017667 0.002334778 0.001918214 0.001156364 DG(15:1_29:2)+NH4 0.000530087 0.001066707 0.000724356 0.00053472 0.000832538 0.000675037 7.21E-05 0.000159195 0.000158575 6.43E-05 0.000173982 5.37E-05 0.000200849 0.000223066 0.000347063 0.000280138 0.000246846 0.000235201 TG(22:0_19:1_20:5)+NH4 0.004178731 0.004781761 0.003855575 0.003572024 0.005231879 0.004328011 0.000655585 0.00098567 0.000899371 0.000592269 0.000864889 0.000547929 0.001333387 0.001420941 0.001477331 0.002173659 0.001642983 0.00108367 TG(5:0_18:1_19:1)+Na 0.005514618 0.005193162 0.003319375 0.004307545 0.00570637 0.004592123 0.000829095 0.00077049 0.000719715 0.000434469 0.000941432 0.000833928 0.001506882 0.001590706 0.002135135 0.001722979 0.00327771 0.001869621 PE(20:5_19:2)+H_2 0.001126922 0.001065677 0.000340731 0.000714881 0.000661843 0.001342039 7.84E-05 0.000227859 9.85E-05 0.000147938 9.12E-05 0.000119558 0.00064968 0.000460612 0.000578727 0.000411131 0.000740423 0.000190208 TG(18:0_14:0CHO_18:1)+NH4 0.003908133 0.00351273 0.002155833 0.0037412 0.004557876 0.00393507 0.000122334 0.00016996 0.000332237 0.000128874 0.00016554 0.000113517 0.001024629 0.001214229 0.000595996 0.001285771 0.000940124 0.000297638 TG(15:0_15:0_18:1)+NH4 0.125345593 0.154970656 0.114594208 0.135900291 0.161902102 0.131216469 0.004884975 0.02350084 0.032258391 0.02341815 0.035426931 0.018441279 0.04897716 0.046421056 0.04568388 0.059927912 0.070224025 0.039855996 PE(18:3_20:1)+H_1 0.003125724 0.003212988 0.002040667 0.002920871 0.003725341 0.002940051 0.00074418 0.001073038 0.000674789 0.000653174 0.000933402 0.00087134 0.001321893 0.001050894 0.001317495 0.001806153 0.001485637 0.001297564 PE(18:3_20:1)+H_2 0.003125724 0.003212988 0.002040667 0.002920871 0.003725341 0.002940051 0.00074418 0.001073038 0.000674789 0.000653174 0.000933402 0.00087134 0.001321893 0.001050894 0.001317495 0.001806153 0.001485637 0.001297564 TG(5:0_18:1_20:5)+Na 0.001672637 0.002143785 0.001266056 0.001372452 0.001397488 0.00174166 6.19E-05 4.23E-05 0.000358751 0.000527377 0.000699135 0.000526436 0.000582991 0.000514158 PE(O-17:1_19:0)+Na 0.024475031 0.025977734 0.015292679 0.02040991 0.024399754 0.020828557 0.0041068 0.006754398 0.004951568 0.004249889 0.007014654 0.004046905 0.007820549 0.00809651 0.010198929 0.012607963 0.01091176 0.007950405 PE(O-18:0_20:3)+H 0.037941382 0.042752039 0.02703483 0.037637238 0.045951688 0.03604107 0.009796247 0.01310858 0.009783686 0.00901087 0.014158108 0.008195221 0.016809431 0.016324344 0.020982303 0.027142277 0.023974791 0.016182826 TG(16:0_18:1_20:4)+NH4 0.139035881 0.261623025 0.130221543 0.19480991 0.182300582 0.161500085 0.01004948 0.054587907 0.045622797 0.026751732 0.053423673 0.037839552 0.071200762 0.08447198 0.083179217 0.072471415 0.066314806 0.063421077 PE(20:4_16:0)+H 0.000604445 0.000781022 0.000536009 0.000519872 0.000980072 0.000672381 2.29E-06 0.000200131 0.000110831 0.000119585 0.000223536 3.85E-05 0.000270321 0.000254195 0.000509424 0.000405215 0.000352395 0.000321776 PE(7:0_23:0)+Na 0.0032553 0.003425835 0.002084375 0.002607418 0.003700292 0.002976846 5.43E-05 0.000563644 0.000334021 0.000249859 0.000428865 0.000316367 0.000737663 0.000596423 0.001086249 0.00128187 0.001032052 0.000704154 DG(18:2_20:5)+NH4 0.030897643 0.023906073 0.011911872 0.014437774 0.01815743 0.020922824 0.002395814 0.004751579 0.003320109 0.002585587 0.003011795 0.00266636 0.009762261 0.007735909 0.009192503 0.006278761 0.006515152 0.004090241 PE(20:5_18:2)+H 0.001117268 0.001282408 0.000758375 0.000766963 0.001553725 0.001191662 5.67E-05 0.000202194 0.000135098 0.000103106 0.000138695 0.000119369 0.000265085 0.000325379 0.000472243 0.00041816 0.000664686 0.000303525 TG(18:1_18:1_20:2CHO)+NH4_1 0.001656574 0.002051744 0.001020232 0.001390457 0.002013447 0.001350714 0.000155085 0.000231678 0.000418405 0.000195039 0.000200332 0.000221663 0.000354756 0.000653085 0.000611094 0.000913477 0.001015812 0.000643589 PE(P-19:0_17:0)+H 0.002784087 0.003144954 0.002325627 0.002644094 0.003497813 0.003381717 0.000960473 0.000908427 0.001265662 0.000564973 0.000745416 0.000590327 0.001353574 0.001444188 0.001379064 0.002013502 0.001572537 0.001321424 Hex1Cer(d17:1_21:1)+H 0.002329598 0.002506477 0.001769073 0.002063845 0.00246688 0.002135267 0.000698306 0.000773551 0.000966352 0.000712527 0.000742413 0.000817244 0.001298618 0.001238887 0.001061947 0.001365742 0.001677922 0.00097774 TG(5:0_18:3_20:3)+NH4 0.000468249 0.000422749 0.000310457 0.000321463 0.000449428 0.000478712 1.61E-05 4.54E-05 2.32E-05 2.88E-05 1.96E-05 1.47E-05 4.96E-05 0.000203305 0.000194177 9.97E-05 0.000115318 0.000135286 PE(20:3_17:0)+H 0.011732918 0.016921037 0.01035748 0.012648444 0.015335164 0.012980391 0.003743484 0.004281145 0.003079572 0.00191259 0.002804086 0.002909355 0.006429736 0.004646562 0.006920809 0.009436363 0.007750967 0.004948888 PE(P-18:1_18:1)+H_3 0.008609595 0.008661438 0.006138169 0.006646378 0.008229766 0.007677132 0.001721452 0.003240472 0.002430971 0.002199208 0.0029617 0.001977306 0.003533294 0.00338925 0.003921577 0.004396342 0.004162835 0.003221495 PC(18:0_19:1)+Na 0.004547479 0.004678209 0.002731177 0.003854362 0.004076042 0.003755552 0.001361263 0.001185588 0.001302619 0.000997279 0.001230584 0.00075778 0.001857364 0.001541409 0.002280896 0.003043609 0.002523449 0.001925346 PE(18:3_22:0)+H 0.002458115 0.002948805 0.002012859 0.002275466 0.003049471 0.00248606 0.000428507 0.001136451 0.000661871 0.00069993 0.000847946 0.000573386 0.001299975 0.00111318 0.001588446 0.002035652 0.001711283 0.001221815 PE(16:0_16:2)+H 0.003872726 0.004864201 0.003446889 0.004142764 0.006428767 0.003193187 0.000699747 0.001443081 0.001183224 0.000950669 0.001458068 0.00092224 0.001970397 0.001590238 0.002360043 0.00320075 0.003044811 0.002091127 PE(17:0_18:0)+H 0.015465086 0.015960521 0.01034371 0.014964878 0.016251446 0.0133145 0.002111345 0.003423533 0.003209357 0.002558843 0.004069919 0.002510476 0.005016364 0.004646443 0.00572015 0.00813975 0.006623618 0.004606661 PE(O-19:0_20:3)+H 0.005995079 0.006502507 0.006190628 0.004984994 0.006462444 0.004680098 0.002459109 0.002099714 0.001492865 0.001897309 0.00217123 0.001622386 0.002431876 0.003048884 0.003077435 0.003126416 0.003421954 0.002448049 PE(18:4_14:0)+H 0.001102052 0.000856455 0.000589682 0.001058867 0.001353025 0.000835549 0.000173703 0.000101969 1.72E-05 0.000112539 1.91E-05 0.000299862 0.000228491 0.000504537 0.000577579 0.000668448 0.00043071 TG(19:1_20:4_20:5)+NH4_1 0.012573511 0.039927125 0.024005802 0.011336365 0.01133873 0.010401119 0.002410101 0.00354209 0.00322715 0.002252387 0.003076688 0.001948463 0.004117425 0.005083128 0.004560967 0.006211268 0.005137269 0.003506022 PE(22:0_18:1)+H 0.022272031 0.022715617 0.013599102 0.020610142 0.0255039 0.020342494 0.003885911 0.006293018 0.005002158 0.004617475 0.007047936 0.004655124 0.00782343 0.008311605 0.011269998 0.014241338 0.010441317 0.008506208 PE(17:0_16:1)+H_1 0.024029506 0.029786905 0.015133356 0.025945994 0.029157874 0.024937758 0.002115924 0.005515566 0.004199509 0.004492315 0.004886466 0.004725218 0.007510138 0.005867086 0.007813655 0.007736182 0.008386799 0.005794012 PC(16:1_20:5)+Na_2 0.023185529 0.029842977 0.011615143 0.0230278 0.02410696 0.023136155 0.002116176 0.004248921 0.004657647 0.004475597 0.004061072 0.004249737 0.006422627 0.014408118 0.007525764 0.012342625 0.007611398 0.012191765 TG(18:0CHO_18:1_18:1)+NH4_3 0.007429988 0.002977277 0.00412626 0.005947218 0.006560923 0.008248683 0.000550279 0.000592632 0.000653099 0.000388065 0.000920673 0.000649421 0.0020478 0.001427661 0.001171544 0.001942981 0.00162749 0.000833027 TG(18:1_20:3_20:3)+NH4_1 0.018369786 0.022496705 0.017408326 0.017722308 0.021629435 0.01720906 0.004744987 0.006099806 0.006692637 0.004328216 0.008345387 0.005182345 0.008269532 0.010450382 0.009500864 0.010000929 0.009365451 0.007506582 TG(18:1_18:1_18:1)+NH4_2 0.000307015 0.000203228 0.000220303 0.000268213 0.000234232 0.000408148 2.30E-05 7.65E-05 4.62E-05 3.69E-05 7.54E-05 3.43E-05 8.77E-05 0.000165775 9.39E-05 9.59E-05 0.000118468 0.0001478 TG(18:1_18:1_18:1)+NH4_3 0.006945201 0.009662844 0.00617647 0.008378578 0.00864025 0.003473203 0.000842887 0.003136983 0.001639361 0.001523151 0.001497563 0.001424397 0.00308256 0.003332257 0.003328137 0.002784809 0.003653725 0.004698186 PC(7:0CHO_32:6)+H 0.001780183 0.000355897 0.001523701 0.001644383 0.001306233 0.001223097 0.00084304 0.001062113 0.000770695 0.000715573 0.001072571 0.000798514 0.001364227 0.001537443 0.001303634 0.001799346 0.001704191 0.001015065 PE(18:1_20:1)+H 0.023405529 0.025678534 0.017037018 0.020250683 0.025544441 0.020770918 0.002044445 0.004974624 0.004729719 0.004005907 0.006816538 0.00384495 0.007496111 0.007273321 0.009018118 0.010789378 0.008883087 0.006449402 TG(6:0_17:1_18:2)+NH4 0.009243388 0.009691966 0.005252853 0.007472304 0.007352221 0.007675077 0.001530667 0.002876149 0.00199312 0.001941977 0.000566061 0.001850063 0.003529252 0.002929515 0.003662705 0.003791023 0.004451451 0.002731526 PE(14:0_17:1)+H 0.016835269 0.017816688 0.012959503 0.016725378 0.020702824 0.016053416 0.003245497 0.00461359 0.004313585 0.004256654 0.005716409 0.00470957 0.009401409 0.006150057 0.009624609 0.014130654 0.011658308 0.007448816 PC(27:6_13:1COOH)+H 0.000518672 0.000961721 0.000645063 0.000401862 0.000769195 0.000478796 0.000663931 0.000568013 0.000455557 0.000497028 0.000592259 0.000513176 0.00086282 0.000633534 0.000713213 0.000987257 0.000939848 0.000788402 PE(13:3CHO_18:1)+H 0.001105024 0.000134587 0.000792223 0.000963992 0.000756547 0.000433102 0.000126962 0.000241692 0.000256341 0.000245962 0.000335031 0.000180834 0.000552296 0.000569725 0.000572433 0.00080987 0.000849789 0.000293271 DG(15:0_20:5)+NH4 0.013784127 0.012196514 0.005609097 0.008186295 0.008757002 0.010239429 0.000780365 0.001419036 0.001131545 0.000840274 0.00119827 0.0009985 0.003429774 0.000973005 0.003703508 0.00341504 0.002566186 0.003358476 TG(15:0_17:0_18:1)+NH4_2 0.087831973 0.124942941 0.104275332 0.090607893 0.134855426 0.082461306 0.064496599 0.090711361 0.067287378 0.054085112 0.082074295 0.05573554 0.100014853 0.093643193 0.089367437 0.104904834 0.107677074 0.091664072 TG(17:1_17:1_20:3CHO)+NH4 0.001886914 0.002384258 0.001344328 0.002707222 0.002957554 0.00269509 0.00014013 0.000458351 0.000303591 0.000278288 0.000452905 0.000211454 0.000486157 0.000835364 0.001110194 0.001144654 0.000847541 0.000565808 AcCa(14:1)+H_2 0.006630447 0.008518361 0.005056145 0.006553185 0.006449995 0.006985605 0.002965494 0.002383102 0.002318535 0.001988383 0.001929117 0.002338534 0.002937347 0.003109285 0.003643017 0.003582268 0.003867998 0.002780186 DG(18:0_18:1)+H 0.000995067 0.000982238 0.000573712 0.000863895 0.000994008 0.000781855 2.97E-05 9.99E-05 3.96E-05 0.000202898 6.36E-05 4.37E-05 0.000251271 0.000194667 0.0003493 0.000239078 0.000190378 0.000190795 PE(20:0_20:4)+H 0.010525317 0.012642811 0.007584308 0.010328655 0.01184113 0.010164427 0.001622364 0.002877058 0.002036386 0.001880922 0.003146709 0.001743666 0.003813353 0.003576441 0.004805878 0.006758035 0.005071559 0.00365285 PE(17:0_17:1)+H_1 0.175239523 0.057498952 0.11964365 0.154981763 0.189350019 0.155777047 0.038967329 0.054137835 0.0481666 0.044507535 0.058573888 0.037664958 0.074857808 0.061167563 0.086160023 0.108441673 0.086177725 0.064936008 TG(18:1_18:1_19:1)+Na_1 0.001236824 0.002413835 0.001487357 0.001401831 0.002225109 0.001285364 0.00235613 0.002363421 0.001793427 0.0022444 0.0024764 0.002111852 0.001953002 0.001400483 0.001476132 0.001585935 0.001904505 0.001431312 PE(18:1_20:1)+Na 0.001462334 0.002149143 0.001934345 0.002061114 0.002436233 0.00186948 0.000376888 0.000343713 0.000248096 0.000481681 0.000260967 0.00031879 0.000566773 0.000587745 0.000983078 0.000948947 0.000550081 0.001086288 PE(13:1_17:0)+H 0.000719841 0.001012745 0.000609884 0.000736775 0.000722422 0.000819561 0.000102672 0.000338431 0.000299998 0.000144922 0.000406318 0.000294699 0.000585474 0.000426474 0.0006259 0.000728386 0.000773777 0.000415199 TG(17:1_18:3_20:5)+Na 0.00215352 0.002536494 0.002697841 0.00216462 0.003283465 0.002337954 0.000687766 0.001153565 0.001022367 0.000638195 0.001022965 0.000809185 0.001589694 0.001621427 0.001496788 0.001294794 0.001722976 0.001026617 PE(17:2_16:0)+Na 0.0060851 0.007704945 0.004816273 0.007189939 0.008041142 0.006627526 0.000874921 0.001851377 0.001177613 0.000848627 0.00107022 0.000930528 0.00286038 0.002052085 0.002448956 0.003714996 0.004372384 0.001980313 PC(7:0CHO_29:1)+H 0.001638971 0.000393355 0.001196718 0.000924358 0.001195371 0.000315685 0.003025331 0.003030509 0.00178503 0.002648242 0.003197588 0.001819354 0.001530659 0.001254616 0.001326169 0.000853942 0.001879721 0.001240741 TG(O-14:0_18:1_6:0)+NH4 0.002846801 0.00203159 0.00095319 0.001441823 0.001572442 0.002049753 0.000207439 0.000292928 0.000337035 0.000250914 0.000254513 0.000254966 0.000593195 0.000539694 0.000844695 0.001253513 0.000588593 0.000626573 PE(20:5_16:0)+H_1 0.139076824 0.000722969 0.10391718 0.000182587 0.003286943 0.003620154 0.000753335 0.001345828 0.000737998 0.000905489 0.001139141 0.000843243 0.00143259 0.001281153 0.002490552 0.00198231 0.002321655 0.001752431 TG(16:0_17:1_20:5)+NH4 0.082178388 0.095645034 0.051563064 0.075940182 0.08987533 0.081117998 0.020790291 0.026620834 0.022163415 0.017157287 0.023296438 0.01700222 0.030501443 0.038474826 0.035608054 0.051604851 0.04290689 0.026895186 TG(19:1_19:1_20:5)+NH4 0.007691973 0.010432504 0.007975216 0.00716921 0.010002983 0.007676339 0.008703589 0.008697628 0.00707166 0.005261261 0.007489169 0.005667835 0.004504363 0.004411556 0.003383232 0.005647914 0.004154209 0.003983979 TG(14:0CHO_17:1_17:1)+NH4 0.003251092 0.002654323 0.00119543 0.002642871 0.001862242 0.002810319 0.000136357 0.000162602 0.000238521 0.000134949 0.000338407 0.000187234 0.000313091 0.000436095 0.000447352 0.00060179 0.000482435 0.00030538 PE(14:0_18:1)+Na 0.011577163 0.013342157 0.009295564 0.010257423 0.013226609 0.009916441 0.000792697 0.002339051 0.001764961 0.001411111 0.002371621 0.001314029 0.003653351 0.002749093 0.004529488 0.006867361 0.005004943 0.003419718 LPE(20:2)+H 0.00611513 0.002317146 0.003714585 0.005340058 0.004839694 0.004605857 0.001769357 0.001406846 0.001488339 0.001909501 0.001671964 0.001512494 0.002811215 0.002694804 0.002380088 0.002031221 0.002438434 0.001796334 TG(9:0_17:1_18:1)+Na 0.003445396 0.00383108 0.003504261 0.002741658 0.004666957 0.002746418 0.000810544 0.002562394 0.001978094 0.001137828 0.001541725 0.001109911 0.003287123 0.003035638 0.002206844 0.002706839 0.002618159 0.002921348 PE(18:3_17:1)+H_2 0.007011364 0.008560634 0.006054915 0.006928643 0.008947408 0.006457054 0.000873731 0.002407833 0.001855635 0.001488327 0.002092243 0.001480548 0.002979328 0.002253282 0.003444042 0.004037048 0.004180494 0.002735699 PC(18:3_20:0CHO)+H 0.001020038 0.000329192 0.000519026 0.000964494 0.000564413 0.000589068 0.000565134 0.000229744 0.000320076 0.000268749 0.000327919 0.000196208 0.001030079 0.000356467 0.000840173 0.001202011 0.000867049 0.000782906 PC(19:2COOH_14:1)+H 0.003206127 0.000801783 0.002340106 0.00298342 0.001815672 0.001540412 0.001561535 0.001388774 0.001766619 0.001773314 0.001877802 0.00157523 0.003805694 0.002873118 0.002488748 0.003162024 0.004318141 0.002023467 TG(17:1_18:1_18:2)+NH4 0.372548255 0.443303482 0.389753776 0.342714714 0.430844724 0.370281783 0.113913696 0.193128316 0.138205638 0.12865081 0.19920737 0.141387438 0.246399826 0.242547207 0.209701807 0.245174925 0.245308863 0.178999416 TG(15:1_18:3_20:5)+NH4 0.010247242 0.011620197 0.005486591 0.000346266 0.009051775 0.009072534 0.001216816 0.002544682 0.000987193 0.001547943 0.001261091 0.001136165 0.003776666 0.008626029 0.00406764 0.004878738 0.004122434 0.003450986 TG(5:0_19:1_20:3)+NH4 0.008092209 0.006127759 0.004003685 0.006366664 0.005752904 0.004929967 0.000925432 0.001514543 0.001166385 0.000876794 0.001174444 0.00078555 0.004037933 0.002060224 0.003422977 0.003850014 0.006605177 0.002594186 PE(15:0_16:1)+H 0.011699545 0.013301637 0.007359404 0.011539262 0.013712753 0.010972864 0.000664858 0.002326732 0.002273793 0.001584453 0.002641305 0.002152713 0.003686974 0.002926436 0.004173435 0.006116938 0.005081529 0.003449264 PE(18:4_17:0)+H_1 0.00395881 0.006711138 0.003323289 0.004124741 0.005521692 0.005294141 0.000913058 0.001409413 0.001255709 0.000842496 0.001070976 0.001018969 0.00214465 0.001578301 0.002272248 0.003557804 0.00308381 0.001814296 TG(14:1_15:1_15:1)+NH4_1 0.035998299 0.009122689 0.007279981 0.029927659 0.032208479 0.033002132 0.002491101 0.004288373 0.006373855 0.002651666 0.003714703 0.003214402 0.005653527 0.007902257 0.008541542 0.007401645 0.010981628 0.006138439 LPE(20:3)+H_2 0.003200541 0.002174361 0.00159868 0.002664029 0.003030034 0.002361762 0.00060993 0.000706573 0.00062777 0.000562046 0.00101702 0.000538351 0.001140398 0.001098267 0.001661107 0.001995731 0.001320349 0.001031221 TG(17:1_17:1_18:1CHO)+NH4_2 0.010379758 0.0039101 0.003568519 0.007060063 0.00756798 0.005579879 0.000528445 0.000890068 0.000862922 0.000575641 0.000653278 0.000777647 0.001800766 0.001546004 0.00166142 0.002918914 0.002611935 0.001011475 LPE(18:2)+H_2 0.011539255 0.009551027 0.006587505 0.009456719 0.012416804 0.012586129 0.002831208 0.002964065 0.003445799 0.003097762 0.003805438 0.00303851 0.005427319 0.004048366 0.005603955 0.006279507 0.007559519 0.004100394 TG(17:1_17:1_20:5)+NH4 0.230084709 0.243696069 0.14236748 0.18768723 0.219721945 0.192895132 0.03142465 0.043944102 0.039012674 0.029106253 0.04292386 0.028444047 0.057805619 0.06379351 0.069553441 0.111114134 0.078663039 0.053746564 PE(20:5_18:1)+H_3 0.005199785 0.010068458 0.005177238 0.003680397 0.009540629 0.007507086 0.000542538 0.002274319 0.00174848 0.001399483 0.000907533 0.001312544 0.003129861 0.001530537 0.003583694 0.004111764 0.004285381 0.00312028 TG(17:1_17:1_18:1)+NH4_2 0.637887416 0.976356149 0.821871891 0.740034084 0.89849471 0.733234892 0.278682901 0.491243441 0.422467042 0.386041528 0.516171538 0.363990682 0.59769525 0.52636481 0.591359743 0.633138255 0.694144703 0.51178068 PE(20:5_16:1)+H_2 0.005083471 0.006812502 0.004393018 0.004521904 0.005549428 0.005058711 0.000456853 0.00212221 0.001414488 0.000972095 0.001682729 0.000872212 0.001986383 0.002263926 0.003434952 0.002925893 0.002788261 0.002189912 TG(17:1_17:1_19:1)+NH4_1 0.003229327 0.004605267 0.003382673 0.003642746 0.005001129 0.002433496 0.001106617 0.001782986 0.001663996 0.001774269 0.000720801 0.001284753 0.001559337 0.004023553 0.0033516 0.004755285 0.00440086 0.002726524 PE(13:1_18:1)+H 0.003861525 0.003545102 0.002497667 0.003754033 0.00473427 0.003531758 0.000798671 0.001619376 0.001360672 0.001200818 0.001610612 0.001271568 0.002156346 0.001633414 0.002311921 0.002857243 0.002826433 0.001856772 PE(P-19:0_15:0)+H 0.006273698 0.008221823 0.00395184 0.005807884 0.007418956 0.006733201 0.000869936 0.001657215 0.00196275 0.000978427 0.001563902 0.001231956 0.002112163 0.002028391 0.00227672 0.002859786 0.002869188 0.001955541 TG(16:0_18:0_18:0)+NH4 0.01696382 0.021367206 0.012776145 0.017655363 0.020887867 0.018765309 0.004099625 0.005403631 0.004114401 0.005355076 0.004518788 0.005629579 0.008387962 0.009490371 0.010181308 0.009585184 0.015695702 0.006672119 PE(O-18:1_18:1)+Na 0.013710484 0.017793717 0.013799354 0.01380922 0.017449136 0.012184947 4.49E-05 0.01097104 1.24E-06 1.88E-07 4.67E-05 6.09E-07 0.011136174 0.009985951 0.011140609 0.012484447 0.005571756 0.010749008 Cer(d17:1_18:1)+H 0.00065816 0.000726334 0.000466313 0.000525518 0.000584464 0.000587309 0.00022659 0.000304535 0.000188125 0.000219301 0.000282554 0.000183431 0.000320838 0.000323427 0.000371723 0.000395737 0.000480231 0.000312245 TG(18:0CHO_18:1_19:1)+NH4_2 0.031428048 0.021176746 0.019385101 0.028916394 0.018622461 0.025285548 0.001062132 0.001853454 0.001464398 0.000686053 0.001456625 0.001052773 0.001824936 0.002969079 0.004114752 0.00431476 0.003041256 0.00208049 TG(16:0_17:1_18:1)+NH4_2 0.40506776 0.543080058 0.418899273 0.408782794 0.537379511 0.418979656 0.282337904 0.356607201 0.001957308 0.28446765 0.001111295 0.267772603 0.454061414 0.420717005 0.446774725 0.503536951 0.542270146 0.425422356 TG(16:1_17:1_20:5)+Na 0.003228843 0.004036431 0.003865123 0.002922363 0.003606593 0.003400336 0.000896122 0.001804864 0.001207006 0.00105177 0.00132747 0.001138971 0.002269813 0.001868699 0.001694218 0.002573574 0.003008751 0.00184463 TG(17:1_18:1_18:2)+Na 0.000752788 0.001244859 0.000758911 0.000711252 0.001556508 0.000665244 0.001045666 0.001022826 0.000803559 0.000929084 0.001024192 0.00105646 0.00062836 0.00074604 0.000648112 0.000575472 0.000555025 0.000965546 PE(19:0_18:1)+H_1 0.02352931 0.032524703 0.0199023 0.024203734 0.027593558 0.022669029 0.006814406 0.008144478 0.007518147 0.004711259 0.006384874 0.006034378 0.010609133 0.008772115 0.009963573 0.012162391 0.013542117 0.007903974 TG(17:1_19:1_18:2)+NH4_2 0.000317331 0.211875359 0.00057415 0.000486598 0.000560929 0.000464512 0.000142114 0.000517141 0.000233229 0.000236956 0.000332683 0.000281352 0.000649385 0.000618195 0.00038592 0.000562224 0.000522484 0.000523416 TG(15:0_17:0_22:0)+NH4 0.0117431 0.014342194 0.00852166 0.012593743 0.011823937 0.010288445 0.002031661 0.001139126 0.000600669 0.003017166 0.002090886 0.001778154 0.003950513 0.003116792 0.00592202 0.002866028 0.003633785 0.004624027 PE(O-17:0_20:1)+Na 0.007934062 0.008328014 0.004744034 0.006654495 0.008289242 0.007055078 0.001946331 0.002358074 0.001649502 0.001616569 0.002265311 0.001348318 0.002644526 0.00270456 0.003123972 0.004288943 0.003478954 0.002489665 LPE(17:0)+H_1 0.054465101 0.044666821 0.027819005 0.04265817 0.062090336 0.047608793 0.006420942 0.013014524 0.009643458 0.009021134 0.012682696 0.010440005 0.016633328 0.01347146 0.021491608 0.027529231 0.021383276 0.01549952 PE(P-19:0_18:1)+H_2 0.042424332 0.053830622 0.039205634 0.041884464 0.050684215 0.049290023 0.011614615 0.019532254 0.010194301 0.011572686 0.009973293 0.00886794 0.020738157 0.018537475 0.018759354 0.022353043 0.022884843 0.014970638 PE(O-18:0_19:1)+H 0.057218595 0.078738372 0.058349382 0.070213214 0.086284407 0.072760035 0.02009462 0.02314097 0.021418225 0.016755121 0.020253516 0.019479614 0.028521443 0.027856147 0.02948849 0.043542587 0.041078314 0.025751451 PE(16:0_10:2CHO)+H 0.002096132 0.000407196 0.001825689 0.001869986 0.002301653 0.001568782 0.001035436 0.000757511 0.001304805 0.001155046 0.001794281 0.001094397 0.002474857 0.002124084 0.00154497 0.002340037 0.002017109 0.001571488 TG(26:0_19:1_20:5)+NH4 0.001845269 0.001934352 0.00117583 0.001669395 0.001514093 0.001457224 0.000116489 7.38E-05 6.33E-05 0.000185441 7.22E-05 0.000192101 0.000226197 0.000277491 0.000292804 0.000486302 0.000320798 0.000202605 LPE(17:0)+H_2 0.007737111 0.005145303 0.004628729 0.007079712 0.008341377 0.007145746 0.001237105 0.001731114 0.002241337 0.001624044 0.001876623 0.00179041 0.00268824 0.002162558 0.00268042 0.003854971 0.003539451 0.002489402 TG(16:0_17:1_17:1)+NH4_1 0.102804445 0.140565461 0.107025733 0.097556869 0.172671436 0.113844788 0.118957313 0.120676557 0.088905786 0.092546613 0.10493322 0.072897526 0.13003027 0.120048957 0.152733119 0.150315191 0.159895039 0.122896001 PC(18:1_17:2COOH)+H 8.19E-05 0.000129011 0.000240047 3.65E-05 0.000414823 0.000312228 1.27E-10 8.68E-05 7.06E-11 7.25E-05 7.69E-05 7.50E-05 0.000273005 0.000188543 6.98E-05 0.00018965 0.000177404 0.000143223 PE(16:1_18:2)+H 0.013710674 0.014745687 0.010234812 0.011116531 0.016255395 0.012173002 0.000998394 0.004452864 0.003566814 0.002891005 0.004302062 0.002822553 0.005793202 0.004142025 0.006758075 0.007805026 0.007201472 0.004993444 TG(22:0CHO_18:1_18:1)+NH4 0.002568897 0.001017614 0.001783891 0.002802401 0.001962667 0.001761378 0.000102866 8.03E-05 2.15E-06 1.03E-08 3.19E-08 4.97E-05 8.79E-05 0.000247555 0.000431838 0.00014081 0.000264016 0.000248649 DAP(O-12:0_O-4:0)+H_1 0.156600282 0.201679495 0.217374533 0.162944204 0.217023334 0.145612661 0.218973586 0.22106179 0.181107691 0.201275909 0.197496226 0.2041275 0.189817616 0.162238775 0.152104894 0.16633624 0.189105158 0.146210515 PE(P-19:0_18:1)+H_3 0.010472916 0.012163586 0.007308651 0.008808895 0.012698873 0.01013978 0.00214438 0.003079029 0.003966708 0.003192791 0.004580882 0.00232249 0.004565455 0.004599697 0.005284654 0.006642982 0.006241485 0.004342369 TG(17:1_18:1_19:1)+NH4_2 0.589561938 0.868301526 0.717179572 0.654119869 0.828777446 0.619057058 0.26659944 0.455609905 0.366011964 0.317055309 0.429835203 0.319515936 0.49037241 0.535236525 0.436931294 0.537828278 0.547943966 0.430732845 PE(19:1_20:5)+H_1 0.042557172 0.043922346 0.025669069 0.032519328 0.043532689 0.035384049 0.005920832 0.012820085 0.008601505 0.007121448 0.010417147 0.007188436 0.013045488 0.011309957 0.016934614 0.021425375 0.0185711 0.013318614 PE(11:3CHO_18:0)+H_1 0.001032232 0.000302737 0.000790865 0.001144663 0.001310979 0.00080205 0.000248914 0.000236199 0.000342539 0.000660982 0.000423657 0.000335953 0.000745411 0.000669981 0.000708298 0.000929777 0.001135458 0.000518318 PE(O-18:0_18:1)+H 0.592948419 0.612340179 0.438538643 0.530531239 0.669726646 0.536470855 0.167207172 0.269841314 0.220250329 0.208403248 0.29527301 0.198057691 0.297910948 0.309236364 0.356513742 0.437765121 0.406528472 0.279529496 PC(17:1_19:1)+Na 0.016504382 0.022600393 0.014455999 0.015095407 0.018776709 0.016206708 0.016301751 0.012753962 0.010360631 0.010741555 0.012445562 0.01078566 0.015959942 0.015313369 0.014973299 0.01693973 0.018848224 0.015587106 PC(17:1_18:1)+Na_1 0.008045345 0.011538461 0.004774586 0.009582375 0.00949014 0.009371636 0.000131198 0.000524074 0.000284355 0.000201708 0.000286247 0.000298911 0.000543801 0.000593026 0.000440283 0.000654244 0.000759725 0.000420325 PE(P-18:0_17:1)+H_1 0.07681562 0.079717742 0.049955757 0.06222022 0.087414745 0.069630094 0.0303213 0.032347406 0.023491145 0.024603434 0.030450494 0.021543668 0.036560937 0.034876335 0.044084185 0.060933761 0.053218854 0.037173083 TG(26:0_17:1_19:1)+NH4 0.008410619 0.008585085 0.006045217 0.005819018 0.007519364 0.00658184 0.000782759 0.002839329 0.002453579 0.001844166 0.002828794 0.00182661 0.008044252 0.004124806 0.009433983 0.010382531 0.002380899 0.007250281 TG(20:0_17:1_19:1)+Na 0.001486886 0.00208234 0.001439137 0.001317078 0.001989458 0.00156913 0.000896411 0.001027517 0.000740651 0.000782904 0.000926718 0.000851164 0.001365525 0.000984917 0.001135777 0.001367903 0.00146024 0.000997909 PE(18:1CHO_18:1)+H_1 0.002953006 0.001526959 0.002320521 0.002997086 0.003241354 0.002174947 0.000810158 0.000773643 0.000899168 0.001036989 0.001275575 0.001180278 0.001787251 0.001317824 0.001600124 0.001834698 0.00212107 0.001110803 TG(17:1_18:2_20:5)+Na_1 0.001950779 0.003135579 0.002344003 0.001905406 0.002927608 0.002272458 0.001116275 0.001374892 0.001055791 0.001076625 0.001285391 0.00106211 0.001399261 0.001572418 0.00149691 0.001328875 0.001525758 0.001270879 PE(O-14:0_21:0)+H 0.014851087 0.014153973 0.009522636 0.012897558 0.015857424 0.012855545 0.003723525 0.005342591 0.005077415 0.004604522 0.00575857 0.004221876 0.006230352 0.006002364 0.006998058 0.008631973 0.007644622 0.005571046 LPE(16:0)+H 0.030617258 0.027617572 0.016380713 0.02808219 0.032352593 0.027342258 0.007049642 0.008647409 0.006905908 0.006063213 0.009444105 0.006868539 0.011540189 0.008601462 0.015620874 0.017602937 0.015682825 0.010183744 PE(10:0CHO_17:0)+Na_1 0.000967907 0.000303714 0.000739006 0.0010126 0.001320274 0.000836101 0.000328458 0.000216263 0.000335046 0.000667071 0.000395585 0.000457977 0.000750968 0.000672274 0.000705933 0.000908536 0.001080837 0.000518816 TG(17:1_18:1_19:1)+NH4_3 0.210776021 0.320720111 0.189161531 0.230426938 0.256220416 0.177018399 0.082581104 0.130976225 0.124038898 0.07614282 0.154276355 0.066804499 0.195383661 0.178917542 0.13210748 0.171345543 0.187278915 0.15114947 PE(17:1_18:2)+H 0.032655778 0.032537115 0.025451834 0.03457281 0.046724851 0.029968087 0.005857899 0.013472259 0.009476775 0.010233356 0.012396597 0.009780563 0.015082539 0.012875366 0.016392248 0.021535075 0.019460188 0.01394046 TG(14:0_18:0_18:1)+NH4 0.006884128 0.015120578 0.007391249 0.012012745 0.012977723 0.006473262 0.002850491 0.002874169 0.004496073 0.002912797 0.003816302 0.002378141 0.004500684 0.004052828 0.004888886 0.005984701 0.006955653 0.004791859 TG(18:1_21:1_18:2)+NH4 0.044970578 0.05845828 0.052905034 0.047001659 0.051402442 0.043524937 0.016318194 0.0225388 0.021503357 0.016817779 0.023203451 0.016677953 0.022867208 0.029159698 0.046815737 0.031618028 0.035586317 0.029095833 PE(16:0_16:0)+H 0.003566287 0.004485885 0.003532537 0.004451906 0.005376406 0.004032115 0.001529272 0.001430821 0.001260824 0.001057582 0.001565072 0.001188317 0.002207737 0.001563834 0.00242926 0.003606569 0.003320588 0.002053294 PC(17:1_20:1CHO)+H_1 0.003258436 0.003072551 0.00240217 0.003478839 0.003209018 0.003040295 0.001891652 0.001143416 0.001298263 0.001591327 0.001706742 0.001444049 0.002428007 0.002192606 0.001906141 0.002281948 0.002588472 0.001622022 PE(18:2_19:2)+Na 0.000884463 0.000959803 0.000834739 0.000549854 0.000744493 0.000272795 0.000126581 0.000191022 0.000194075 0.00014971 9.68E-05 0.000176394 0.000531641 0.000334005 0.000311108 0.000328775 0.000772728 0.000325614 PE(15:1_17:1)+H 0.00366233 0.004308345 0.003421987 0.003880754 0.004914758 0.003466634 0.001306641 0.001907947 0.001679779 0.00158835 0.002112956 0.001515827 0.002333208 0.002048961 0.002909763 0.00365606 0.003492991 0.0022129 TG(18:1_18:1_19:1)+NH4_2 0.52346717 0.774107072 0.622656269 0.582322209 0.784835056 0.612720958 0.313407872 0.428046759 0.372771224 0.343591487 0.367747954 0.326628575 0.437328954 0.436840361 0.439602685 0.493872127 0.514802117 0.381502629 PE(O-19:1_17:0)+H 0.002792876 0.003062389 0.00225872 0.00312347 0.003595396 0.003426567 0.000826615 0.00115172 0.001250626 0.000445419 0.000749718 0.000685439 0.001336666 0.001217678 0.001279582 0.001942999 0.001574008 0.001324953 PE(O-19:0_19:1)+H 0.015462227 0.017016714 0.010538656 0.014106728 0.017495487 0.014275816 0.003459339 0.005045403 0.004367348 0.004097844 0.005493451 0.003784651 0.006290769 0.005630081 0.006895245 0.008596661 0.007820626 0.004887881 PC(17:1_20:2)+H 0.003930588 0.002598853 0.002283726 0.002534299 0.002882036 0.002756332 1.59E-06 0.000322479 2.35E-06 0.000454698 5.86E-05 0.00022594 0.001140491 0.00068464 0.001291882 0.00066735 0.000232494 0.000747311 TG(6:0_15:0_17:0)+NH4 1.75E-06 2.81E-06 0.001638453 1.14E-08 1.38E-06 1.09E-08 0.000260727 0.000120625 0.000304791 0.000244452 0.000257008 0.000192628 0.000367639 0.000299324 0.000436535 0.000588885 0.000396261 0.000343709 PE(26:2_9:0)+Na 0.004042929 0.004998445 0.004086442 0.00382399 0.005459856 0.003807061 0.001383282 0.002762665 0.002027333 0.001961635 0.002190132 0.002192207 0.003116406 0.002521901 0.002930307 0.003022017 0.003507028 0.002522226 PE(18:1_19:1)+H_2 0.189767684 0.159974869 0.110994584 0.126588061 0.180979122 0.160664287 0.052369653 0.071748509 0.053727055 0.059842404 0.071274869 0.056358076 0.07980059 0.076434717 0.094096398 0.129057704 0.115855291 0.077957669 PE(O-19:2_18:2)+H 0.003860024 0.004784033 0.003900058 0.004517553 0.005652454 0.005159142 0.000857472 0.001532058 0.001134872 0.000902823 0.000848954 0.000823392 0.002243075 0.002258775 0.00132127 0.001441244 0.003278003 0.002135999 AcCa(13:0)+H 0.005765666 0.003838024 0.002139622 0.002513486 0.004906122 0.005213484 0.001734119 0.001294217 0.001081653 0.001993674 0.001618932 0.003062216 0.003377722 0.002186575 0.003909073 0.002845396 0.002962934 0.003479705 TG(18:1_20:3_20:3)+NH4_2 0.017069844 0.019916 0.015847615 0.015426829 0.016611486 0.014557483 0.006510624 0.006774838 0.005806719 0.004991106 0.00632868 0.005472338 0.007748551 0.007253024 0.007407064 0.009123077 0.007183747 0.00660624 PE(20:5_17:1)+H_2 0.000605141 0.001079453 0.000481046 0.000851586 0.001078608 0.000571153 2.04E-08 9.44E-05 4.86E-05 4.20E-07 8.06E-05 5.16E-05 0.000160359 0.0001033 8.92E-05 0.000244401 0.000289697 0.000151436 LPE(15:0)+H 0.010965885 0.009757373 0.006586332 0.010105084 0.011087791 0.00998344 0.000902996 0.002148289 0.001842013 0.00128908 0.002427942 0.001701574 0.002941967 0.002165074 0.003430151 0.004410301 0.0039644 0.002399382 TG(18:1_19:1_18:2)+NH4_1 0.155760384 0.215853571 0.178265463 0.152259947 0.20693395 0.157474295 0.053429743 0.097757822 0.076316821 0.096803871 0.116230018 0.067926945 0.132135011 0.128121693 0.127198325 0.135596721 0.147107836 0.092239089 DG(20:5_20:5)+H 0.000591595 0.000374981 0.000196938 0.000130244 0.000123055 0.000538227 3.35E-05 4.90E-05 4.29E-05 3.73E-05 1.61E-10 0.000113825 8.49E-05 0.00017357 5.93E-05 0.00012694 TG(18:0_17:1_18:1)+NH4 0.006781976 0.003279581 0.002399315 0.003616108 0.003603481 0.001663109 0.000843225 0.001752644 0.000752645 0.001272079 0.000693255 0.001108507 0.001400022 0.002335854 0.004172641 0.004591702 0.003312017 0.001988634 PE(21:1CHO_15:2)+H 0.001878209 0.000311202 0.001379061 0.001441237 0.001515546 0.001036627 0.000432982 0.000648773 0.000732975 0.000845846 0.000957499 0.000725909 0.001719562 0.001159832 0.001153338 0.001209689 0.001499805 0.000773015 PC(18:1_19:1)+Na_1 0.005980341 0.008817761 0.004806869 0.006601979 0.006290005 0.005512093 0.001976956 0.002461335 0.002001233 0.00134853 0.001149447 0.000830928 0.002490473 0.002051528 0.002446325 0.003019459 0.003079749 0.003124123 TG(17:0_17:1_19:1)+NH4 0.006781976 0.008018055 0.002399315 0.003616108 0.003603481 0.005617283 0.000843225 0.001752644 0.000752645 0.001272079 0.000693255 0.001172479 0.001400022 0.002335854 0.004172641 0.004591702 0.003312017 0.001988634 PC(18:1_18:1)+Na_2 0.014084693 0.017936674 0.017086643 0.013628998 0.017383051 0.014228604 0.007497256 0.005274794 0.003973095 0.003531253 0.003899798 0.003902452 0.00846482 0.008062215 0.006744808 0.009636918 0.014656095 0.00772818 DAP(O-12:0_O-4:0)+H_2 0.181809688 0.199073792 0.160596232 0.171945136 0.206607325 0.173727011 0.117730759 0.129866859 0.124759912 0.140989094 0.119969191 0.1380474 0.157004031 0.134601751 0.145328971 0.150341716 0.163584856 0.141169104 PC(20:1CHO_18:2)+H 0.000885037 0.000268004 0.001004419 0.000989705 0.001231291 0.000784502 0.000327559 0.000475415 0.00031107 0.000511226 0.000826902 0.000499934 0.001056288 0.001071324 0.001283487 0.00113355 0.001409597 0.00038857 TG(14:1_15:1_16:1)+NH4_1 0.083266284 0.074897677 0.042233268 0.063567036 0.063231133 0.077123067 0.018992292 0.05207659 0.035346465 0.031031711 0.053222119 0.032013645 0.048223566 0.061772969 0.074075062 0.063592399 0.068726049 0.049049923 TG(18:1_18:1_20:6)+NH4 0.006429662 0.007876983 0.005853346 0.005270116 0.005821673 0.006963777 0.000623734 0.002229531 0.001536683 0.001402448 0.001736363 0.001226353 0.00201142 0.002104721 0.002168829 0.003038251 0.00283767 0.002362128 PE(16:0_18:0)+H 0.004309745 0.004109867 0.003457669 0.004511906 0.005195698 0.003992064 0.001143495 0.001301697 0.001271316 0.000954035 0.00156615 0.001003606 0.001572274 0.001543745 0.002081994 0.003063184 0.002499412 0.001831183 TG(15:1_15:1_16:3)+NH4_2 0.003806342 0.006812085 0.000849736 0.000696956 0.001024287 0.000970513 1.82E-07 0.000536943 0.000455457 0.000472664 0.00049574 0.000371058 0.000778613 0.000797916 0.001029996 0.00045503 0.001096128 0.00073703 TG(18:1_19:1_20:4)+NH4 0.027576815 0.044131626 0.031418622 0.028473943 0.040867284 0.030312351 0.011780354 0.017737833 0.015813267 0.013744795 0.018655951 0.013263913 0.018831839 0.021078938 0.018150507 0.021866239 0.021443913 0.017440717 PE(18:1CHO_17:1)+H 0.001230126 0.000338592 0.000931818 0.001320437 0.001402029 0.000783367 0.000528118 0.000438157 0.000504485 0.000524211 0.000508867 0.000520135 0.00113368 0.000735531 0.000779307 0.000998077 0.001095908 0.000463941 PE(O-18:0_18:2)+H_2 0.003935144 0.004378701 0.003175836 0.003756455 0.003072806 0.004237546 0.001465931 0.001777969 0.00148068 0.001337772 0.001878477 0.001650135 0.002361773 0.001887341 0.002035989 0.003008042 0.00274073 0.001891205 TG(11:0_18:1_18:2)+NH4 0.011898078 0.053135337 0.00707055 0.010436607 0.022840396 0.037545184 0.021254899 0.01844035 0.013332311 0.013092407 0.015876218 0.011982716 0.018527372 0.022119428 0.020588987 0.026898529 0.027486416 0.021217606 PE(16:0_17:1)+H 0.048281039 0.05393782 0.038529502 0.0483885 0.062222808 0.047351074 0.018071012 0.024104028 0.019100591 0.018778867 0.024655848 0.019212188 0.031367253 0.023531823 0.032828457 0.044265508 0.040567953 0.024984863 LPE(18:0)+H_1 0.055554235 0.051742639 0.031280276 0.046961372 0.061056239 0.047074607 0.012229693 0.016732467 0.0141663 0.012394499 0.019116248 0.014103899 0.019707616 0.01665546 0.027255682 0.030196411 0.027335864 0.019228133 PC(19:1_20:5)+Na_2 0.005486882 0.002050408 0.006901858 0.010409096 0.0075928 0.010620554 0.000510473 0.000733855 0.002443328 0.000332042 0.000499716 0.000290033 0.005434658 0.00342731 0.00163056 0.005923559 0.003988731 0.001470848 PE(15:0_16:0)+Na 0.001043654 0.000992993 0.000722131 0.001083506 0.001762997 0.001174861 0.000205665 0.000299633 0.000368686 0.000338571 0.000363822 0.000374571 0.001224286 0.000360519 0.000609712 0.00143542 0.001017744 0.000722499 TG(16:0_18:3_20:5)+NH4 0.043624519 0.006387802 0.030843939 0.010776611 0.067003126 0.053222597 0.003211654 0.006101882 0.014491861 0.004099591 0.014599523 0.004678916 0.027725742 0.030404243 0.036270178 0.018786473 0.017173534 0.009735788 TG(18:0_18:0_21:0COOH)+NH4 9.45E-05 0.000326046 0.000467444 0.000367318 0.00023237 0.003235268 0.001814232 0.001604778 0.002428393 0.002123231 0.002037713 0.001650326 0.001098768 0.001290792 0.001514421 0.001241403 0.001373979 PE(20:5_17:1)+H_3 0.022089808 0.02367345 0.015648729 0.017300699 0.024986457 0.017773989 0.003899783 0.009062953 0.005814393 0.004986726 0.007103547 0.005150172 0.008304922 0.007743026 0.010678772 0.014432409 0.011870061 0.008955166 TG(15:0_15:0_17:0)+NH4 0.020787356 0.034439624 0.016293957 0.03074695 0.039588821 0.026200066 0.002881532 0.005627206 0.009280893 0.005617481 0.009233297 0.004187701 0.008957962 0.008710525 0.010322838 0.013115043 0.012688337 0.009735141 TG(17:1_17:1_19:1)+NH4_2 0.04720176 0.042521298 0.034874126 0.030075245 0.03966074 0.066294972 0.007604223 0.018479415 0.02361012 0.021559535 0.025976228 0.01955163 0.044438625 0.027401661 0.031509074 0.061900455 0.043522678 0.02883445 CerPE(d17:1_24:0)+H_1 0.001746421 0.001682227 0.001117927 0.001246902 0.001471472 0.001224605 0.00112916 0.001113952 0.000878264 0.00098054 0.001393368 0.000919161 0.001519868 0.001434596 0.001890489 0.002757679 0.001882161 0.001404077 TG(16:0_18:0_19:0COOH)+NH4 0.000115224 3.27E-11 0.000145665 0.000175576 0.000254091 0.004788699 0.002463725 0.002057172 0.003093852 0.00297563 0.002914424 0.001794521 0.001367756 0.001391628 0.001118666 0.002553349 0.001261483 DG(14:0_18:2)+NH4 0.000945887 0.001058578 0.000578874 0.000791406 0.000733205 0.000872865 0.000380207 0.00019702 0.000223695 0.000192169 0.000296775 0.000165734 0.00036219 0.000371938 0.000479917 0.000320337 0.00035642 0.000555666 DG(20:5_20:5)+Na 0.001112447 0.001000724 0.001060914 0.000654221 0.001145876 0.000820742 0.000984849 0.001373202 0.001121575 0.000715214 0.000823921 0.000968382 0.000879674 0.000461551 0.000643652 0.000456681 0.0004854 0.000714613 TG(18:0_17:1_20:5)+NH4 0.034930552 0.03195736 0.032402833 0.023868242 0.06288974 0.23019893 0.021032176 0.02062645 0.016994999 0.016163152 0.022587005 0.016019073 0.030538579 0.025902992 0.02181987 0.030596551 0.021059789 0.024369359 PC(17:1_18:1)+Na_2 0.033193419 0.073397064 0.045523596 0.047616495 0.04945694 0.059726107 0.031952429 0.036557131 0.029832957 0.030923195 0.036008265 0.031324868 0.045165301 0.036808154 0.036562913 0.035521381 0.048634162 0.045298353 PE(P-19:1_18:1)+H_2 0.025987176 0.031738115 0.017456174 0.020879788 0.0345172 0.0236028 0.008531319 0.011180749 0.00989621 0.007360501 0.010196005 0.008211705 0.011789232 0.01188439 0.013285182 0.018182361 0.017111952 0.010694735 TG(18:1_18:2_18:4)+NH4 0.057817851 0.060347955 0.096677365 0.136074685 0.142689792 0.048707844 0.003437376 0.027818946 0.007707923 0.007181425 0.007569789 0.004644546 0.014376516 0.03921334 0.015050071 0.049094225 0.047811329 0.037491802 PE(18:1_18:1)+Na_1 0.001157207 0.002672585 0.001064388 0.002642375 0.002733198 0.001328969 0.000260901 0.000335256 0.000208649 0.00025576 0.000260202 0.000228229 0.000416066 0.000733564 0.00038258 0.000789547 0.00061985 0.000288564 TG(14:1_14:1_14:1)+NH4 0.017313289 0.017891569 0.008617405 0.014188449 0.014044327 0.014698338 0.001017149 0.003040871 0.002391891 0.002313676 0.003441483 0.002013267 0.003764431 0.003216134 0.004157738 0.003971534 0.003983519 0.002927088 LPE(18:1)+H_1 0.087787249 0.063858553 0.044284162 0.068463416 0.095373075 0.080352719 0.014825019 0.029073966 0.023103822 0.020817689 0.032303444 0.023692701 0.034537373 0.028516481 0.04763859 0.046373236 0.041794723 0.028956535 LPE(22:0)+H 0.00242077 0.002228367 0.001599977 0.002480772 0.002775721 0.00194103 0.000967318 0.00131192 0.001240887 0.001122928 0.001495991 0.001085031 0.001768704 0.001375624 0.001745262 0.002055519 0.002007292 0.001262995 TG(22:0_17:1_19:1)+NH4 0.000501863 0.001657094 0.000515674 0.001503283 0.060372112 0.153558521 7.51E-05 0.010902319 0.000109626 0.000138977 0.01002106 0.000122003 0.015878171 0.024528988 0.000186429 0.026928892 0.026986612 0.019056064 TG(17:1_18:2_20:5)+NH4_2 0.295310277 0.064359186 0.036867791 0.050569346 0.293860802 0.045479987 0.003045359 0.000704323 0.005277759 0.027126755 0.006044749 0.0260868 0.068898345 0.082559781 0.086392713 0.0167471 0.016296531 0.069978742 TG(18:1_19:1_20:5)+NH4 0.06362978 0.117573887 0.064785723 0.085318511 0.087063354 0.087381355 0.026732838 0.033518546 0.036909346 0.030623082 0.037916961 0.029757021 0.0423883 0.04462348 0.034545786 0.052479704 0.050053354 0.037221644 TG(5:0_15:0_17:1)+NH4_4 0.00081707 0.00083269 0.000213318 0.000769017 0.000604696 0.000852333 3.85E-07 2.76E-07 4.46E-07 2.41E-05 2.67E-05 3.07E-05 1.38E-05 6.24E-05 7.32E-05 6.12E-05 5.29E-05 3.19E-05 PC(11:2_26:6)+Na 0.001875115 0.004726434 0.002362122 0.002872431 0.002495169 0.003074489 0.000154428 0.00038592 0.000361734 0.000176017 0.000241326 0.000184422 0.000685483 0.001021835 0.000524057 0.000344028 0.000371945 0.000860403 PE(14:0_17:0)+Na 0.000943392 0.001688108 0.000788265 0.001070571 0.001250568 0.000835018 5.95E-05 0.000182355 0.000133057 0.000234151 0.000135982 0.000209245 0.001008159 0.000295907 0.00045066 0.000880428 0.000647157 0.00022924 DG(18:1_19:1)+H 0.000782488 0.00072303 0.000274143 0.000485187 0.000552504 0.000564335 5.12E-05 0.000150918 9.62E-05 8.83E-05 0.000109568 0.000118264 0.000194221 0.000113127 0.00014841 0.000221004 0.000150842 0.000210517 TG(27:0_18:1_18:2)+NH4 0.004333471 0.003525552 0.005628058 0.004109784 0.008583081 0.006211735 0.000141143 0.000783116 0.000648765 0.000571456 0.00070934 0.000436027 0.00332936 0.002189745 0.002543461 0.000766775 0.001635884 0.0008743 TG(14:1_14:1_18:3)+NH4 0.004964829 0.007285049 0.00286852 0.006218069 0.005947426 0.007197854 0.001558295 0.001076576 0.00073954 0.000595853 0.000968786 0.00058591 0.00137411 0.001193054 0.001794655 0.001907028 0.00173267 0.001278609 CerPE(d17:1_23:0)+H 0.003297343 0.003611872 0.002895125 0.003136575 0.004360328 0.00353891 0.000712575 0.001221024 0.000964738 0.000933535 0.00105696 0.001047881 0.001399406 0.001247705 0.001371989 0.001969723 0.001811375 0.001095419 LPE(20:1)+H 0.003547148 0.003089432 0.001842402 0.002970709 0.003823288 0.002614752 0.000354271 0.000846116 0.000744265 0.000589376 0.000850215 0.000687616 0.000958994 0.000828978 0.001157054 0.001319845 0.001218134 0.000810267 PE(O-18:0_20:2)+H 0.016137624 0.017179607 0.013990047 0.015309837 0.019053537 0.014944487 0.002204764 0.005381223 0.004876261 0.005378323 0.008706316 0.004882353 0.008263721 0.007775382 0.008668015 0.010566746 0.008959982 0.006529338 TG(16:0_20:4_20:5)+NH4_2 0.102205744 0.011356133 0.006937192 0.009739198 0.147807443 0.076989381 0.001879607 0.003850707 0.002249518 0.001541324 0.002394173 0.001379544 0.024312253 0.020908 0.027716902 0.008864342 0.005736207 0.004898235 TG(17:1_17:1_20:2CHO)+NH4_2 0.006043942 0.002885904 0.003741312 0.005487681 0.004359076 0.003770565 0.000275375 0.000329146 0.000524277 0.000328908 0.000506983 0.000357613 0.000696904 0.000872509 0.001163105 0.001464074 0.000548613 0.000553013 TG(18:1_18:1_19:1)+Na_2 0.001236824 0.002413835 0.001487357 0.001401831 0.002225109 0.001285364 0.00235613 0.00175612 0.001793427 0.0022444 0.0024764 0.002111852 0.001953002 0.001400483 0.001476132 0.001585935 0.001904505 0.001431312 PC(18:2_14:0COOH)+H 0.002529542 0.000534199 0.001822987 0.002329187 0.002069849 0.001400511 0.00078705 0.000587036 0.000849406 0.001034726 0.000999896 0.000928271 0.001729608 0.00116725 0.001393273 0.001443371 0.001392237 0.000799832 LPE(20:5)+H_2 0.001968181 0.001813854 0.00112344 0.001744652 0.001587845 0.001575837 4.27E-09 4.86E-05 1.70E-05 1.28E-09 7.27E-05 9.95E-09 0.000190425 0.000330967 0.000345613 0.000901115 0.00023887 0.000216533 TG(17:0_17:1_18:1)+NH4_3 0.001248896 0.004740071 0.001897505 0.003122003 0.001841608 0.00238832 0.000453003 0.000611194 0.000335321 0.000695703 0.000490831 0.000472929 0.001103217 0.00215326 0.002152112 0.001606073 0.00098206 0.000445476 PE(17:0_15:0)+H 0.008857283 0.0110457 0.006859789 0.009241212 0.011395085 0.009375937 0.001527481 0.001994274 0.002445421 0.001401178 0.002132133 0.001698336 0.003185343 0.002207403 0.003047251 0.005306563 0.003930837 0.002580446 PE(P-18:0_18:1)+H_2 0.019138982 0.02104805 0.014895222 0.017708474 0.022555011 0.019640147 0.007596908 0.006850079 0.002432659 0.00458112 0.007345745 0.005587364 0.007258113 0.008153009 0.00932909 0.010539178 0.011361827 0.007578969 TG(15:0_18:2_20:5)+NH4 0.255664752 0.159099379 0.093551108 0.217981705 0.248427966 0.13540292 0.016013759 0.015375739 0.01232901 0.009320382 0.012006341 0.008687569 0.028663333 0.038820685 0.090823114 0.037713269 0.034060748 0.027347079 TG(7:0_15:0_16:0)+NH4 3.89E-08 2.57E-07 0.000870668 4.09E-07 4.50E-08 2.79E-08 6.20E-05 9.30E-05 9.43E-05 8.03E-05 0.000199134 0.00027844 0.000204402 0.0002486 0.000322047 0.000409177 0.000348482 0.0001948 TG(18:1_19:1_20:1)+NH4_1 0.092297505 0.268570503 0.15445596 0.102121243 0.268882904 0.230115042 0.041378919 0.061369396 0.04859554 0.042668331 0.053978823 0.040911363 0.058164223 0.071221147 0.089924316 0.106227962 0.124170456 0.05610547 LPE(18:0)+H_2 0.004435196 0.005109533 0.002653 0.004590004 0.004601685 0.0040364 0.00098097 0.001839592 0.001292836 0.001221252 0.001900233 0.001533745 0.002045455 0.001560408 0.002506086 0.002958036 0.002747328 0.001881079 TG(19:1_20:3_20:4)+NH4 0.008207979 0.011485697 0.009082773 0.008488227 0.010398147 0.008753828 0.003822273 0.004220987 0.003509742 0.002800322 0.003881904 0.002615873 0.004478673 0.004753347 0.004209191 0.005322943 0.004677347 0.003715598 PE(20:5_17:2)+H 0.000907449 0.001457942 0.00148044 0.001068304 0.001301787 0.001283835 0.000106381 0.000458526 0.000243907 0.00010051 0.00029202 0.000151816 0.000543096 0.000179235 0.000522234 0.000754674 0.000571741 0.000519648 TG(18:1_18:2_20:5)+NH4_2 0.018986065 0.262104367 0.160695369 0.207158558 0.22444782 0.017762321 0.001813076 0.033620457 0.001983781 0.026605964 0.038636015 0.023869867 0.06314061 0.07794879 0.0796124 0.081268765 0.006816853 0.059501031 TG(18:1_18:1_18:2COOH)+NH4 0.002173451 0.000405898 0.000963942 0.002222773 0.001615979 0.001651188 0.000126825 0.00014174 0.000210484 0.000169457 0.000255021 0.00019371 0.00019734 0.000501214 0.00035143 0.000389878 0.000510654 0.000214132 PE(22:0_17:1)+H_1 0.021462318 0.021195407 0.014755421 0.019967411 0.024740047 0.020023653 0.008714426 0.009804763 0.007723959 0.007525836 0.009212209 0.007117355 0.01138997 0.009112154 0.012085642 0.016890455 0.013979132 0.009622118 TG(17:1_18:1_18:1)+NH4_1 0.448213795 0.578254922 0.626846125 0.561580112 0.571625166 0.669646779 0.151046056 0.289676769 0.306248027 0.300954495 0.30557325 0.255116959 0.354767723 0.456665236 0.37035133 0.316967944 0.340418665 0.344691317 PC(20:1CHO_18:3)+H_2 0.002347083 0.000687715 0.003041063 0.00250739 0.001173313 0.001156487 0.000465019 0.000708357 0.000579441 0.001053242 0.001739157 0.001136754 0.001494939 0.001894567 0.00173923 0.001533187 0.003157278 0.00164968 PE(P-18:0_16:1)+H 0.015238027 0.014993932 0.015593963 0.011960883 0.025754881 0.020177887 0.004601088 0.00812036 0.005757247 0.0057037 0.007560934 0.005404275 0.012275404 0.007945909 0.010596325 0.021023515 0.018939518 0.008361031 TG(18:1_18:3_20:5)+Na 0.001615969 0.002752519 0.001922063 0.00159628 0.002039125 0.001614525 0.000601155 0.000877168 0.000712042 0.000877781 0.000881339 0.000832901 0.000822331 0.000965894 0.001010498 0.001041453 0.001056626 0.000943129 TG(16:1_17:1_18:4)+Na 0.00148436 0.00212262 0.002000586 0.00180815 0.001759066 0.002214539 0.000327169 0.00099268 0.000750039 0.000787134 0.001059762 0.000777854 0.001376469 0.001010675 0.000973763 0.001272349 0.001156929 0.001093944 PE(15:0_17:1)+H 0.040064462 0.028147371 0.058632592 0.071642784 0.064938611 0.038391996 0.0099963 0.017693911 0.010949205 0.013860879 0.016701439 0.015132149 0.023412439 0.012541747 0.022824371 0.043271933 0.029273987 0.03129226 PC(20:5_16:0COOH)+H 0.000651964 0.000409548 0.000536187 0.000335471 0.000479211 0.000294154 0.000224596 0.000270022 0.000175525 0.000197175 0.000284582 0.000141331 0.000454723 0.000467734 0.000326674 0.000172513 0.000388242 0.000363976 PE(20:4_19:0)+H_2 0.005286877 0.007497849 0.004965939 0.005033509 0.006401628 0.005177145 0.001036506 0.000911245 0.001558149 0.000841234 0.000996372 0.000937626 0.001537017 0.001241838 0.001825891 0.002583808 0.002307666 0.00125693 PC(14:1_22:3COOH)+H 0.000992038 0.000385186 0.000874567 0.000869514 0.000992294 0.000476954 0.00023421 0.000781821 0.000550439 0.000533852 0.00063011 0.000717095 0.00156325 0.001033353 0.00093907 0.001106573 0.001206835 0.000496528 PE(20:5_16:0)+H_2 0.000810944 0.001150192 0.000800811 0.00070439 0.001376334 0.001036327 0.000209788 0.000285564 0.000310384 0.000253584 0.000401836 0.000226154 0.000366232 0.000268586 0.000707106 0.000469819 0.000699844 0.000562866 TG(19:1_20:4_20:5)+NH4_2 0.022154192 0.04336913 0.025514774 0.016084742 0.024986563 0.03053677 0.00439528 0.004102959 0.004181635 0.002750661 0.004263725 0.00278959 0.005426247 0.006435335 0.006401141 0.013021753 0.006841823 0.005726364 PE(17:0_17:0)+H_2 0.009042666 0.010117208 0.006980396 0.010340167 0.011525096 0.009628322 0.001496937 0.001869683 0.002360722 0.001290997 0.001971154 0.001701795 0.00299724 0.001979098 0.002643318 0.004557319 0.00416008 0.002317826 TG(O-14:1_19:1_5:0)+NH4_1 0.002155703 0.001276978 0.00152772 0.001306452 0.003445354 0.00190367 0.000437537 0.000400529 0.000430608 0.000293194 0.000214115 0.000244894 0.001554362 0.00104875 0.000649472 0.000414384 0.001075911 0.000495562 Cer(d16:1_22:1)+H 0.000477638 0.00070135 0.000389934 0.000478978 0.000350742 0.000570279 3.25E-05 4.24E-05 2.91E-07 6.11E-05 4.17E-05 1.32E-05 8.65E-05 4.29E-05 6.50E-05 0.000186228 0.000258425 0.000208283 PC(20:1CHO_17:2)+H 0.002532374 0.001288082 0.002673515 0.002204938 0.002040531 0.001947424 0.002716757 0.001569901 0.001777414 0.002114997 0.002354504 0.002121106 0.003490613 0.002892478 0.002927094 0.002617515 0.003605133 0.002104779 PE(18:0_17:1)+H 0.099455016 0.095865354 0.066766988 0.089921567 0.1104337 0.085733417 0.035999344 0.036028105 0.031218268 0.029373399 0.039897804 0.029770795 0.038111438 0.040461395 0.053445198 0.071236763 0.062571765 0.040170182 TG(19:1_19:1_20:3)+NH4 0.017999347 0.028504161 0.026413713 0.022920929 0.026590923 0.021623803 0.013147602 0.01372106 0.012205206 0.011383219 0.014299269 0.009975734 0.016186641 0.014849731 0.012818556 0.015432561 0.017571061 0.014320721 PC(9:2COOH_24:0)+H 0.002352244 0.000710962 0.002263538 0.002373441 0.002921843 0.001863309 0.001619298 0.001045482 0.001135287 0.002411893 0.001549079 0.001472158 0.003090589 0.002579901 0.001934112 0.002499937 0.00494911 0.002530894 TG(20:3_20:4_20:5)+NH4_2 0.008006418 0.011340732 0.005026992 0.004771603 0.006502496 0.007551919 0.001088929 0.001862099 0.00161717 0.001003881 0.000588102 0.000306362 0.001787701 0.002170218 0.002038643 0.003471181 0.001789202 0.001652995 TG(2:0_2:0_18:0)+NH4 0.018110248 0.021855625 0.018994218 0.018349985 0.023059727 0.017356642 0.025508736 0.023776538 0.020546856 0.023643296 0.02367076 0.02365892 0.022820676 0.019035996 0.016412005 0.019898921 0.022676047 0.01891414 PE(19:1_19:1)+H 0.06357237 0.059928425 0.038954016 0.051032726 0.066240779 0.056158398 0.018470007 0.02264656 0.018809177 0.017815795 0.022682508 0.017097699 0.025234931 0.023195255 0.027491182 0.036035386 0.03206342 0.019663661 TG(17:1_18:1_18:1)+Na_1 0.001457274 0.001517917 0.002528242 0.000873675 0.001362744 0.002061809 0.002970066 0.002410234 0.001125142 0.00312613 0.002160218 0.00337024 0.001660415 0.001126932 0.001278611 0.001333603 0.001624518 0.00190932 TG(O-14:1_19:1_5:0)+NH4_2 0.004103513 0.003849572 0.001693496 0.003174019 0.003771851 0.003494137 0.000962695 0.001028923 0.000807534 0.000739759 0.000835322 0.000605646 0.001070044 0.001355963 0.001122226 0.000936312 0.001286381 0.000903276 TG(14:1_15:1_15:1)+NH4_2 0.046558935 0.045002239 0.023984223 0.036667336 0.041538259 0.041906697 0.040399757 0.052268728 0.035705767 0.033642907 0.043071368 0.030595289 0.039829563 0.052774166 0.05763009 0.0558172 0.067731416 0.048624661 TG(15:0_17:1_18:2)+Na 0.002465525 0.002167062 0.002352928 0.001259299 0.002306471 0.002515224 0.0033968 0.003939139 0.003493864 0.003807982 0.00351574 0.003902136 0.003548127 0.000899936 0.002832565 0.003068758 0.001379628 0.002755026 TG(O-14:1_19:1_6:0)+NH4 0.001260798 0.002410284 0.000665211 0.0008409 0.001330254 0.002369567 0.000114069 0.000318246 0.000267515 0.000110822 0.000253192 0.000196706 0.000329626 0.000435194 0.000883921 0.00077726 0.000457695 0.000260496 DAP(O-12:0_O-4:0)+H_3 0.181809688 0.253816386 0.194053586 0.202318313 0.206607325 0.208789364 0.117730759 0.129866859 0.124759912 0.140989094 0.119969191 0.1380474 0.157004031 0.134601751 0.145328971 0.150341716 0.184023557 0.141169104 TG(14:1_14:1_16:1)+NH4 0.029764136 0.023152577 0.011990972 0.025035956 0.025607593 0.027648736 0.002032595 0.007538649 0.007090225 0.004208684 0.007363154 0.003926389 0.007989865 0.010247312 0.011049152 0.009237982 0.012880406 0.005343572 PC(6:1CHO_29:1)+H 0.004082786 0.002073387 0.00431967 0.003709229 0.002876879 0.002744582 0.003913436 0.002506433 0.003712004 0.002304636 0.004037203 0.003855085 0.005555749 0.004641172 0.004563936 0.005345303 0.005246652 0.003156389 TG(6:0_15:0_15:0)+NH4 0.00115713 0.001345938 0.000570772 0.001525521 0.001161239 0.001033404 0.000114042 4.43E-05 6.15E-05 5.41E-05 4.60E-05 1.45E-05 0.000140541 7.18E-05 0.000253693 0.000137292 0.000349616 0.000130503 PE(17:1_20:4)+H 0.017688223 0.018293611 0.012614948 0.009477799 0.02001199 0.013254735 0.003311333 0.006406792 0.004740379 0.003998964 0.005946291 0.004050069 0.006310626 0.005705167 0.00730911 0.01063599 0.008322231 0.005832554 TG(17:1_19:1_18:2)+NH4_3 0.160660832 0.187842829 0.185334549 0.130627838 0.222412789 0.176603416 0.086535959 0.124577891 0.097902388 0.106810551 0.10989092 0.099566984 0.111621009 0.118121505 0.118478821 0.120817109 0.139544604 0.131264113 TG(9:0_17:1_18:1)+NH4_2 0.011435339 0.011966208 0.010281034 0.022511239 0.019867125 0.018058557 0.009708979 0.021833248 0.019454045 0.014067227 0.019027791 0.014050764 0.03956846 0.045213123 0.002133511 0.056101522 0.052931697 0.041382183 DG(19:1_19:1)+NH4_1 0.004109701 0.003855293 0.001696633 0.003178617 0.003617875 0.003499305 0.000963157 0.001030013 0.000808293 0.000767729 0.000870196 0.000627632 0.001072034 0.001358001 0.001123539 0.000938232 0.001288351 0.00090496 DG(19:1_20:4)+NH4_3 0.014957394 0.011139776 0.000933468 0.008384933 0.009047058 0.010761723 0.000512138 0.000589999 0.001581854 0.000292411 0.001669475 0.00138528 0.003408117 0.003224726 0.004173267 0.00367733 0.000819323 0.001236129 AcCa(16:2)+H 0.001522847 0.002011903 0.000855312 0.001633236 0.001389381 0.002674985 0.000674347 0.000795509 0.000289854 0.000324047 0.000588105 0.000392897 0.001060677 0.000788043 0.001058195 0.001032189 0.000513765 0.000728132 PE(19:0_18:1)+H_2 0.016578536 0.020298136 0.009676192 0.015671909 0.020175893 0.01681598 0.002071652 0.004497449 0.006003582 0.003861495 0.006386681 0.003598204 0.005656385 0.006561561 0.006692054 0.008273541 0.009270485 0.005324256 PE(P-19:0_18:1)+H_4 0.180210582 0.154234879 0.122244143 0.133908519 0.205600671 0.160471321 0.065158259 0.080001929 0.071835485 0.057475735 0.08961503 0.065175896 0.086164487 0.082920785 0.093119346 0.122674025 0.111795446 0.078078499 TG(15:0_17:0_18:0)+NH4_2 0.019577588 0.025308675 0.01578116 0.02105571 0.024369417 0.020958726 0.008310594 0.009087689 0.009883177 0.002289843 0.009800881 0.003305684 0.015812858 0.015063165 0.016455648 0.017176729 0.022464672 0.003823265 TG(16:0_17:1_17:1)+NH4_2 0.000356272 0.000585814 0.001657431 0.001392812 0.001822838 0.000639152 0.000333235 0.000395515 0.000253293 0.00025573 0.000325215 0.000371896 0.000731519 0.000467913 0.000459051 0.001591736 0.002201495 0.001239684 LPE(17:0)+H_3 0.023337356 0.020679636 0.01251283 0.020475772 0.024382313 0.022233306 0.00554523 0.006038757 0.007125879 0.00364897 0.004700152 0.005963292 0.009305913 0.005724477 0.009688097 0.014186443 0.010678753 0.006168777 PE(O-18:2_18:0)+H 0.034191534 0.034229076 0.027667624 0.030248017 0.040623098 0.030124198 0.007860932 0.018658316 0.01497356 0.014488901 0.023388004 0.014585345 0.022358266 0.020487447 0.024249045 0.026262395 0.024472634 0.017354337 PE(19:1_21:0)+H 0.004224884 0.004802899 0.003802134 0.004959499 0.005363914 0.004420397 0.002307034 0.002282427 0.001321292 0.001218609 0.002064182 0.001511855 0.002760893 0.002226869 0.002187179 0.003534876 0.003971971 0.002200513 AcCa(11:1)+H 0.005316983 0.006834562 0.004904997 0.00489431 0.004854226 0.004404905 0.004101711 0.002958516 0.00177154 0.002534468 0.003372826 0.002916413 0.005221545 0.003568766 0.004102917 0.00490322 0.004558732 0.003010396 TG(19:0_17:2_19:2)+NH4 0.000668512 0.000576689 0.000275965 0.000585087 0.000636561 0.000578579 0.000227513 0.000418338 0.000247401 7.66E-05 0.000119628 0.00010866 0.000416657 0.000537905 0.00034837 0.000426865 0.00032746 0.000981457 TG(17:0_17:1_18:1)+Na 0.000888567 0.001516369 0.001439281 0.001033125 0.001086217 0.00114469 0.001160266 0.001539736 0.001113026 0.001189648 0.001359316 0.001400338 0.001074514 0.000930043 0.00099459 0.000962166 0.00131368 0.001047116 PE(16:2_18:0)+H 0.001137842 0.001013318 0.000878748 0.001565818 0.001862486 0.001198107 0.000417302 0.000732628 0.000563889 0.000418755 0.000717567 0.000594492 0.000938812 0.000591607 0.000767853 0.001181995 0.000992423 0.00068851 AcCa(18:1)+H_2 0.060663063 0.000491831 0.002208582 0.038630612 0.041152879 0.04727802 0.000670154 0.000706019 0.000498542 0.000567217 0.000490243 0.00065954 0.001175857 0.000866892 0.001250122 0.001061485 0.000396206 0.000959324 PE(20:0_15:2)+Na 0.002914623 0.005131845 0.003198006 0.003212014 0.004488547 0.003097405 0.001372174 0.00206141 0.001741741 0.00115857 0.001473128 0.001734897 0.002409217 0.001703522 0.001951601 0.002682852 0.003104831 0.001866258 PE(15:0_18:1)+H 0.04732504 0.04921529 0.030083145 0.042562296 0.056192484 0.043660704 0.003970354 0.010997084 0.01556565 0.007168592 0.013602382 0.00926112 0.016663035 0.013529906 0.017939478 0.034819606 0.021570904 0.014897058 DG(19:1_19:1)+NH4_2 0.002153125 0.001274336 0.001527979 0.001303448 0.00162767 0.001900079 0.000437411 0.000399676 0.000430605 0.000292793 0.000407419 0.000365187 0.001556831 0.001048891 0.000647851 0.000412098 0.001076418 0.000493535 TG(18:0_16:1_18:1)+NH4 0.04530447 0.034705172 0.04753255 0.027589192 0.038309618 0.043222611 0.012778868 0.020901687 0.020273701 0.016383451 0.013113455 0.014985301 0.016142287 0.015932172 0.035091684 0.035404912 0.034377366 0.026965221 LPE(21:0)+H 0.002791124 0.003953091 0.003010649 0.00392831 0.004982952 0.003768851 0.001245265 0.001739262 0.001388616 0.00142989 0.0016074 0.001535167 0.002163755 0.001579066 0.001969193 0.002531335 0.00269501 0.001465225 CerPE(d17:1_24:0)+H_2 0.00071396 0.000677811 0.00056093 0.000597462 0.000828163 0.000782065 0.000279953 0.000409002 0.000294081 0.000402047 0.000452583 0.000383711 0.000213613 0.000218227 0.000295052 0.000388242 0.000255771 0.000216998 DG(19:1_20:4)+NH4_4 0.001490995 0.001323618 0.000624564 0.0009427 0.000921324 0.00116628 0.000167321 0.000206124 9.24E-05 6.24E-05 0.000111554 6.03E-05 0.000605535 0.000232492 0.000245614 0.000358451 0.000130579 0.000264166 PC(17:0_20:5)+Na_1 0.008771862 0.009860834 0.007553744 0.009076634 0.009762716 0.008817551 0.005257696 0.002208065 0.000731171 0.004414237 0.002797285 0.001973071 0.005482137 0.004009522 0.004580954 0.0052803 0.005757794 0.004121498 TG(5:0_15:0_20:4)+NH4 0.001940756 0.0022766 0.001313849 0.001352943 0.001619998 0.002183193 3.19E-05 0.000267116 0.000182001 8.94E-05 4.08E-05 5.53E-05 0.000590457 0.000301903 0.001424029 0.000544698 0.000357928 0.000289647 PE(17:1_18:1)+H 0.09328018 0.094884611 0.070916358 0.083881775 0.119060899 0.084696148 0.027101561 0.040374948 0.0347777 0.03868755 0.047045083 0.039686131 0.049813773 0.036575882 0.055617864 0.071083546 0.06741745 0.04355443 Hex1Cer(t17:0_20:1)+H 0.002043232 0.001006671 0.001723791 0.001706099 0.00234139 0.001705197 0.00109831 0.001434471 0.001416022 0.001124473 0.001741691 0.000914634 0.001583939 0.001051778 0.00234385 0.002197467 0.002342671 0.002017431 TG(5:0_19:1_20:4)+NH4_3 0.002520889 0.002728082 0.001241333 0.002169801 0.002555106 0.002477525 0.000311871 0.000530153 0.000342158 0.000299674 0.000491891 0.000303812 0.000644615 0.000509753 0.000670165 0.000520029 0.000557854 0.001215658 LPE(18:3)+H_2 0.001411638 0.001154754 0.000836834 0.001255726 0.001126657 0.001207687 6.70E-05 0.0001071 8.31E-05 0.000102386 0.000147435 0.000165409 0.000315098 0.000424532 0.000460633 0.001205358 0.000371937 0.000204166 LPE(16:1)+H 0.002126202 0.002128284 0.001746047 0.001978817 0.002210671 0.00196885 0.000166757 0.000267254 0.000212736 0.000241414 0.00030179 0.00018751 0.000506334 0.000763918 0.000591205 0.001938348 0.000636112 0.000499501 TG(11:1_15:1_17:1)+NH4 0.011371729 0.012050622 0.005638642 0.008204029 0.009799237 0.010857316 0.011750812 0.008930223 0.005672545 0.00472605 0.006745761 0.005702701 0.0085346 0.010101797 0.010021426 0.011823448 0.013551212 0.009719301 TG(18:1_20:2_20:3)+NH4 0.009410714 0.01394508 0.011785904 0.008955946 0.011710677 0.009173832 4.12E-05 0.005163438 0.004599995 0.003722117 0.005094461 0.003844234 0.005137539 0.00621244 0.005662695 0.006641374 0.006826367 0.005072694 TG(16:0_17:1_18:1)+NH4_3 0.003095823 0.001338919 0.001144639 0.003327694 0.001760708 0.003115239 0.00052003 0.000716543 0.000307467 0.00052522 0.001184637 0.001049331 0.00120106 0.002801337 0.001023783 0.004036882 0.001215625 0.001867852 TG(16:0_18:0_21:0COOH)+NH4 0.000550257 9.40E-05 0.001127978 0.000653824 0.000642151 0.000659457 0.006083363 0.002795774 0.003142348 0.005218659 0.003661243 0.004090436 0.003169938 0.003228537 0.002029526 0.002684115 0.003117762 0.001880403 AcCa(11:0)+H 0.002745791 0.004189468 0.002617587 0.003840164 0.002944992 0.003694965 0.001405758 0.001184366 0.000945125 0.001064901 0.000750376 0.000705033 0.002484493 0.001052601 0.001403354 0.00138773 0.002812541 0.001625841 LPE(18:1)+H_2 0.019963379 0.006228757 0.012285843 0.018906775 0.013985101 0.015882543 0.006014636 0.005082105 0.007288078 0.006244891 0.008986453 0.00645497 0.010863097 0.008401463 0.009098408 0.011356687 0.015003857 0.006185434 TG(15:1_15:1_14:2)+NH4 0.007589333 0.007685967 0.003777682 0.00137669 0.005851138 0.000933958 0.000681696 0.000883986 0.000466043 0.000566975 0.000674681 0.000655053 0.002991173 0.001300399 0.001148691 0.001039259 0.001566982 0.000834646 PE(17:0_19:1)+H_1 0.005981615 0.011610127 0.00404192 0.014083099 0.014169775 0.014050305 0.001227612 0.001745713 0.001930751 0.001438081 0.002323475 0.001415508 0.002096456 0.003699661 0.004168807 0.00244079 0.002422233 0.001726079 PC(16:0_20:5)+Na_2 0.009468073 0.013849225 0.005518997 0.008358778 0.010380146 0.010100404 0.000599438 0.001361499 0.00139921 0.000779746 0.001587726 0.000639024 0.002860489 0.002310573 0.001852786 0.000672977 0.001655468 0.002707783 PC(20:5_15:0)+Na 0.003814122 0.036177369 0.003332393 0.002965001 0.004311873 0.004122526 0.000572401 0.000837818 0.000456196 0.000287965 0.00031661 0.000281177 0.002281729 0.001601079 0.020391562 0.024695194 0.001982614 0.018038769 PE(11:3CHO_18:0)+H_2 0.001499206 0.000362273 0.001241681 0.001689013 0.001519414 0.001321153 0.000961266 0.00076509 0.000977229 0.001118996 0.000976482 0.000897182 0.001299198 0.001175247 0.001057035 0.00150354 0.001449475 0.000867789 PC(20:5_19:4)+H_3 0.005729015 0.025401121 0.007248467 0.02165217 0.007644482 0.021159913 0.000134096 0.00013112 0.00016945 0.000222197 0.000131384 0.000438408 0.000576938 0.000410103 0.000550679 0.000971446 0.002068171 0.000538142 TG(15:0_17:1_18:1)+NH4_2 0.000266932 0.000668195 0.000608866 0.000667975 0.001319055 0.000327676 0.000348506 0.000417731 0.000285153 0.000360942 0.000328957 0.000703829 0.00053251 0.000459586 0.000538472 0.000999564 0.000945791 0.000642482 TG(18:0_18:1_18:1)+NH4 0.038215709 0.048192638 0.028488132 0.040352805 0.050684547 0.025941476 0.021690307 0.036777618 0.033952407 0.0244916 0.027930912 0.025004813 0.033058335 0.034362785 0.031976963 0.040667705 0.041606823 0.032425986 LPE(18:1)+H_3 0.190944551 0.065588915 0.118419578 0.189180577 0.178622173 0.152905746 0.068879788 0.055217811 0.08054464 0.074893215 0.096301836 0.079822833 0.109331816 0.085692931 0.097983314 0.112858372 0.103937733 0.071669393 TG(18:1_18:2_20:5)+Na_1 0.001069643 0.001117266 0.001002598 0.000874173 0.001347005 0.000855972 0.000537697 0.000692686 0.000628972 0.000536159 0.000508686 0.000586465 0.000969289 0.000785648 0.000673027 0.000609303 0.000651112 0.000697176 PC(21:6CHO_29:3)+H 0.000808121 0.001128789 0.000680971 0.000899394 0.001014944 0.000990942 0.000402206 0.000502989 0.000249469 0.000132919 0.000413251 0.000367674 0.000366712 0.000401835 0.000624076 0.000563806 0.00056878 0.000558136 TG(17:1_18:1_18:2COOH)+NH4 0.003863479 0.000497009 0.001269597 0.003365929 0.002719214 0.001914424 0.000235865 0.000157314 0.000221619 0.000226198 0.000360946 0.000178757 0.000450222 0.000370747 0.00039802 0.000395443 0.000564581 0.000140988 TG(14:0_17:1_17:1)+NH4_2 0.000291958 0.000675567 2.25E-06 0.000274285 3.23E-06 0.000322044 0.000179405 6.18E-07 9.03E-05 5.53E-05 4.78E-06 8.38E-05 5.03E-06 0.000132422 0.000284296 0.000495195 0.000672309 0.000326674 TG(17:1_18:2_20:5)+Na_2 0.001918375 0.0031076 0.000726286 0.001897194 0.001036731 0.002286481 0.001114944 0.001387897 0.000170077 0.001155192 0.001273058 0.000228086 0.001395143 0.001618057 0.001479685 0.001343359 0.001526926 0.001302075 TG(18:0_18:1_18:2)+NH4 0.007670188 0.004923114 0.004750522 0.004970968 0.006062235 0.007355498 0.002439453 0.004949239 0.003084688 0.002840145 0.005650561 0.002241526 0.006315765 0.010300988 0.010589789 0.004716634 0.006093165 0.003117928 PC(22:1COOH_15:0)+H 0.002073506 0.000241447 0.001597429 0.001968718 0.001520759 0.001273838 0.00215678 0.001193357 0.001858062 0.001865591 0.00257618 0.001791936 0.003765565 0.002830845 0.002042106 0.002785902 0.002748046 0.001997983 PE(18:1_18:1)+Na_2 0.001157207 0.001484833 0.000891287 0.000530282 0.000825913 0.001328969 0.000289209 0.000408711 0.000187343 0.000234561 0.000355631 0.000228229 0.000416928 0.000347406 0.000381765 0.000831374 0.000890654 0.000397507 PE(20:0_18:2)+H 0.06357237 0.059928425 0.038954016 0.051032726 0.066240779 0.056158398 0.018470007 0.02264656 0.018809177 0.017815795 0.022682508 0.017097699 0.025234931 0.023195255 0.027491182 0.036035386 0.03206342 0.016699747 TG(8:2COOH_4:0_6:0)+H 0.015138081 0.018313727 0.014649771 0.013274572 0.013101285 0.015920634 0.011083531 0.01186002 0.010290656 0.011350392 0.012744347 0.011784616 0.013177291 0.012832658 0.011804258 0.01376669 0.013554848 0.011450564 PE(18:3_15:0)+H 0.001726953 0.000406252 0.000652101 0.000904293 0.002048721 0.001060924 0.000240401 0.000281415 0.000329061 0.00036205 0.000365728 0.000366117 0.000535611 0.000318134 0.000977098 0.000593233 0.000852757 0.000310752 PC(17:1_8:1COOH)+H 0.003504201 0.00081876 0.003800627 0.003336578 0.002288696 0.001890837 0.004740626 0.002439082 0.003254784 0.003300317 0.004506304 0.003617782 0.006003811 0.005373829 0.003579802 0.005527428 0.00577318 0.003679332 TG(19:0_18:1_19:1)+NH4 0.038291613 0.034310463 0.04259795 0.029265829 0.032769435 0.036823095 0.013758754 0.022535253 0.019055147 0.018730733 0.022968624 0.01568802 0.02178711 0.021184356 0.023500484 0.026471285 0.032185602 0.020902363 PE(22:0_17:1)+H_2 0.002878091 0.002838424 0.000603415 0.001046525 0.030799517 0.000737512 8.38E-05 6.01E-05 0.000153868 0.000100081 0.000128621 0.000111858 0.000185278 8.02E-05 0.000151165 0.000217315 0.000222861 0.00014609 AcCa(17:0)+H_3 0.006384321 0.005563265 0.003874087 0.005163301 0.004964589 0.005890257 0.001702199 0.001717121 0.002748653 0.001019034 0.001466326 0.001212552 0.002169987 0.001993202 0.002656107 0.00292418 0.002087008 0.002157095 PE(O-18:2_19:0)+H 0.178879786 0.191481098 0.126925763 0.13723029 0.209011513 0.168717154 0.066566891 0.088712166 0.07284732 0.068006178 0.090015692 0.06668744 0.089459725 0.076820909 0.098288791 0.12493172 0.112584687 0.078518158 TG(2:0_2:0_18:1)+H_1 0.002778776 0.002520203 0.002273129 0.002212945 0.002552347 0.002269602 0.001963567 0.001808461 0.001966395 0.001786035 0.001577371 0.0015774 0.00190611 0.002184716 0.003863095 0.002738052 0.00223084 0.002062243 DAP(O-12:0_O-4:0)+H_4 0.153343276 0.201679495 0.217374533 0.148928276 0.205359128 0.145612661 0.218973586 0.191388446 0.163608419 0.18717897 0.197496226 0.186433099 0.185660434 0.162238775 0.152104894 0.16633624 0.189105158 0.146210515 PE(19:1_20:5)+H_2 0.010234498 0.012463746 0.007897432 0.010375223 0.009818127 0.0078791 0.001743089 0.002864753 0.00398685 0.002156708 0.001926051 0.002237978 0.003284398 0.002895835 0.003384727 0.003791585 0.004667148 0.002954343 DG(15:0_27:4)+Na 0.003925092 0.003291924 0.003847342 0.002763112 0.003352798 0.002286913 0.008830795 0.00543812 0.008027165 0.009543854 0.007414598 0.006972027 0.006672319 0.00370568 0.00878887 0.005006752 0.004009354 0.003674583 PE(16:1_16:1)+H 0.003602791 0.004364836 0.003299622 0.004244268 0.004703013 0.004421066 0.000381021 0.001358283 0.001514857 0.000976694 0.001556248 0.001237349 0.001745806 0.001120166 0.00200035 0.002387531 0.002025056 0.00137993 PE(17:0_19:1)+H_2 0.031105577 0.028992691 0.02831699 0.025707381 0.031538001 0.030586737 0.011392158 0.009419229 0.008538096 0.006688259 0.00817895 0.012892173 0.014432154 0.009025227 0.01141016 0.027243115 0.021163946 0.014259353 PE(17:0_19:1)+H_3 0.027108123 0.028992691 0.02831699 0.025707381 0.031538001 0.030586737 0.011392158 0.009419229 0.008538096 0.006688259 0.00817895 0.012892173 0.014432154 0.009025227 0.01141016 0.027243115 0.021163946 0.014259353 DG(18:0_18:3)+NH4_2 0.001688306 0.000954247 0.000494126 0.000845658 0.000929456 0.001198317 0.000213118 0.000338329 0.000350408 0.000140221 8.80E-05 0.000242829 0.000378442 0.001813901 0.000426385 0.001584341 0.000383468 0.000558446 PE(20:4_19:1)+H_1 0.001938986 0.000722844 0.017523656 0.000315298 0.000383864 0.001568859 0.000138804 0.000605191 0.000189984 0.000244424 0.000110559 7.36E-05 0.001070038 0.000816158 0.000349883 0.000325674 0.000209344 0.000880025 TG(17:1_19:1_20:4)+NH4 0.057265258 0.061726822 0.049281887 0.049344281 0.065840852 0.049316004 0.031575413 0.031661375 0.028284927 0.025993026 0.031981711 0.023020203 0.032264606 0.035351212 0.031704641 0.040013196 0.040710183 0.027698437 PC(16:1_20:1CHO)+H 0.00337641 0.001425041 0.003131278 0.002241491 0.002674782 0.001674412 0.002701836 0.001593426 0.002397815 0.002657653 0.003043559 0.002438908 0.004531654 0.003402476 0.002999219 0.003258365 0.003418098 0.002226357 PC(18:0CHO_18:1)+H 0.001010796 0.000919407 0.001003456 0.000902468 0.001072959 0.000837139 0.000779575 0.00049337 0.000649777 0.000675925 0.001204538 0.000681456 0.001447451 0.000931757 0.000942436 0.001194893 0.001531808 0.000690787 TG(19:1_20:3_20:3)+NH4 0.015900506 0.018101363 0.017124019 0.016020092 0.016081576 0.014548899 0.004705015 0.003531761 0.001940485 0.003984866 0.002510645 0.004368073 0.004176364 0.004386978 0.005019293 0.006400733 0.007544627 0.003663899 DG(17:1_18:1)+NH4_2 0.001804972 0.002368442 0.000520665 0.001747667 0.001845169 0.002056446 7.12E-05 1.47E-05 4.29E-05 5.12E-05 1.80E-05 2.96E-05 9.60E-05 3.17E-05 7.65E-05 0.000322897 0.00030504 9.70E-05 TG(18:1_18:1_20:3)+NH4 0.040068556 0.056048841 0.054172718 0.039744223 0.052654152 0.046901434 0.011767138 0.020229991 0.01652014 0.015770887 0.023559083 0.014301284 0.028058993 0.024009559 0.023059852 0.021709538 0.02455157 0.014637127 PE(O-20:2_18:1)+H 0.000790124 0.001133207 0.000565706 0.041587114 0.001112481 0.001001178 0.000111026 0.000315119 0.000192674 0.000347383 0.000329009 2.37E-05 0.018829657 0.01840647 0.00026036 0.000303671 0.000288079 0.015882254 TG(14:1_15:1_17:1)+Na 0.002181007 0.003203417 0.002420576 0.002043763 0.002746279 0.002384904 0.005643415 0.006124557 0.005461275 0.006351929 0.006114479 0.005397443 0.005448799 0.005174887 0.005106515 0.005733845 0.005797404 0.004861554 PE(17:0_17:1)+H_2 0.034807719 0.045745704 0.043200462 0.04783447 0.059010482 0.04496884 0.024987964 0.024592623 0.023920111 0.016084649 0.021935887 0.01719961 0.033526669 0.02070515 0.02677407 0.045702681 0.030150627 0.024337079 TG(18:0_19:1_18:3)+NH4 0.172466887 0.237735065 0.199455547 0.167521795 0.214335834 0.170899199 0.038698936 0.043798771 0.033356346 0.109238308 0.031422155 0.030117775 0.142260663 0.142997616 0.135723855 0.035056427 0.163273185 0.029735583 TG(4:0_17:1_18:1)+NH4 0.016745341 0.012803598 0.00893137 0.014022179 0.009616644 0.014186575 0.004916628 0.00038178 0.000663755 0.000569159 0.000663605 0.000481723 0.002575228 0.002752576 0.003265659 0.003490975 0.003377685 0.002240967 PE(17:2_17:0)+Na 0.003147087 0.004218444 0.002182381 0.003521441 0.004588423 0.003671448 0.000342615 0.00037644 0.000501409 0.0002203 0.002198129 0.000294149 0.002016171 0.000988813 0.000852105 0.001672459 0.002613347 0.001271891 TG(5:0_18:1_17:2)+NH4_2 0.000234561 0.000841713 0.000124098 0.000432361 0.000612791 0.000382035 4.29E-07 4.82E-07 3.24E-07 1.08E-05 1.53E-05 1.77E-07 0.000839054 2.30E-05 2.74E-05 0.001242431 0.001348417 8.32E-07 TG(17:1_19:1_20:5)+NH4 0.070971514 0.092022741 0.062165541 0.064886833 0.07017776 0.071987341 0.029331663 0.034275536 0.027551914 0.023820503 0.034318204 0.027473217 0.030641814 0.036517438 0.034267092 0.045473318 0.037585763 0.030034954 PI(20:5_17:0)+NH4 0.002454204 0.002592804 0.002478968 0.002701965 0.00398994 0.00309494 0.001418091 0.001848565 0.001364441 0.001244472 0.001326216 0.001560709 0.001915132 0.00149812 0.001926032 0.003467065 0.00294452 0.001520033 TG(18:0_19:1_20:5)+NH4 0.008117856 0.01125063 0.007693574 0.008536921 0.009565111 0.009013086 0.008162888 0.008320743 0.00683019 0.005866529 0.007493856 0.005561214 0.006067808 0.004670602 0.004952744 0.006891174 0.006686557 0.004705774 MG(24:6)+H 0.000824505 0.000350496 0.000542901 0.001001991 0.000723776 0.000810213 0.000451748 0.000148452 0.000155817 0.000137322 0.000185226 0.000176719 0.000248095 0.000347148 0.000386415 0.000787264 0.000463128 0.000264698 TG(13:1_15:1_18:2)+NH4_2 0.046919321 0.051182701 0.007817824 0.029322503 0.042625361 0.043575113 0.005030963 0.010981527 0.00753891 0.004621844 0.010434188 0.00395872 0.007211304 0.006420803 0.009157446 0.026680017 0.029069975 0.021312368 AcCa(21:1)+H 0.002427454 0.002022158 0.000811845 0.001721828 0.001879785 0.00178514 0.000619068 0.000526147 0.00061904 0.000676342 0.000576422 0.000736279 0.000542744 0.000866034 0.000698868 0.001261186 0.000990015 0.000782402 TG(17:1_17:1_20:3)+NH4 0.10001651 0.059277609 0.105192977 0.062617676 0.140288884 0.136369393 0.052814096 0.053766876 0.041852966 0.061093606 0.05300434 0.042542253 0.068860533 0.060345775 0.053850104 0.092236593 0.121332584 0.054936597 TG(15:0_14:1_17:1)+Na 0.001407057 0.001792318 0.002301038 0.00157021 0.003387243 0.001901847 0.00086822 0.001840666 0.00120403 0.001554818 0.001749469 0.001144538 0.003225419 0.001539207 0.001736236 0.001790195 0.002848195 0.001569997 TG(15:0_17:1_17:1)+NH4_3 0.000705479 0.000527768 0.001622071 0.58012007 0.000842477 0.000964255 0.001128906 0.000456316 0.000251133 0.001153607 0.000523923 0.001176307 0.002495839 0.000372842 0.002325632 0.000454028 0.002606252 0.002554357 TG(18:1_18:1_20:2CHO)+NH4_2 0.003425942 0.002825677 0.003138335 0.003058162 0.002156449 0.002982992 0.000227969 0.000380874 0.00032154 0.000343963 0.000571894 0.000472596 0.000594219 0.00045067 0.000701611 0.000546396 0.000965329 0.000356633 TG(17:1_18:1_18:1)+Na_2 0.000863104 0.001535965 0.001708114 0.001169166 0.001427678 0.002104463 0.003415068 0.001255055 0.000999507 0.003090447 0.001837501 0.001619744 0.001184552 0.00137522 0.001216181 0.001081992 0.001282242 0.000741725 TG(21:0_17:1_19:1)+NH4_4 0.20561316 0.235367736 0.180248171 0.201635812 0.251993123 0.191583963 0.038361088 0.086737994 0.058072931 0.062721697 0.088057345 0.059896146 0.071426579 0.087114153 0.09296258 0.088738513 0.099295874 0.070384227 PE(17:1_26:0)+H 0.00198068 0.001800623 0.001258174 0.001695843 0.002457664 0.001827796 0.0006018 0.000472511 0.000386954 0.000399947 0.000557633 0.00043942 0.000489913 0.000547834 0.000775131 0.00113687 0.000822678 0.000481319 PE(17:0_18:2COOH)+H 0.001909593 0.000361612 0.001526764 0.002190508 0.001587271 0.001509082 0.000694908 0.000749195 0.000814944 0.000634104 0.00081872 0.000856552 0.001473595 0.000943005 0.001024272 0.000964628 0.001169347 0.000576718 PE(22:0_19:1)+H 0.003587393 0.003789507 0.002290218 0.003245208 0.003880543 0.003148601 0.001513734 0.001723522 0.000936684 0.000919049 0.001245949 0.000968378 0.001413959 0.001308685 0.001582779 0.002478694 0.002175444 0.001389771 MG(18:1)+H 0.007872191 0.00759468 0.007649454 0.006873283 0.007509848 0.006153836 0.00665523 0.006139288 0.005785511 0.005880388 0.005250414 0.005549736 0.006150733 0.006844735 0.010348837 0.009137484 0.007059593 0.005506891 PI(18:2_18:1)+Na 0.001892388 0.001382447 0.001522505 0.001440731 0.002027046 0.001746264 0.000470891 0.000819301 0.000601608 0.000587133 0.000983463 0.000614559 0.000775382 0.000751315 0.000974774 0.001633529 0.00130857 0.00073275 DAP(O-12:0_O-4:0)+H_5 0.148527723 0.107229081 0.118814831 0.111127833 0.150318128 0.090706673 0.094529077 0.093048739 0.079472721 0.085934111 0.0928513 0.087666095 0.109980211 0.082013983 0.094278311 0.102437476 0.114552373 0.096437457 DAP(O-12:0_O-4:0)+H_6 0.148527723 0.107229081 0.118814831 0.111127833 0.150318128 0.090706673 0.094529077 0.093048739 0.079472721 0.085934111 0.0928513 0.087666095 0.109980211 0.082013983 0.094278311 0.102437476 0.114552373 0.096437457 PE(20:4_19:1)+H_2 0.000518551 0.000871486 5.51E-05 0.000395705 0.000471319 0.000275721 0.000171755 0.000136565 0.000189984 0.000287479 0.000110559 7.43E-05 0.00030835 0.000850758 0.000351451 0.000289488 0.000305309 0.000151681 TG(O-14:1_17:1_5:0)+NH4 0.002843877 0.012122247 0.001383983 0.009763353 0.010669507 0.010982273 0.00232516 0.000737308 0.002066411 0.000540565 0.000583871 0.000490613 0.001055027 0.004077782 0.001133737 0.005147928 0.00436856 0.001318211 TG(2:0_2:0_20:0COOH)+Na 0.009692155 0.009389762 0.007719251 0.006845033 0.009285051 0.007990568 0.007460196 0.006558301 0.006246362 0.006218693 0.00505767 0.005654785 0.006211333 0.007721459 0.01202469 0.008750135 0.006641955 0.007241559 PFAA(23:0)+H 0.00035511 0.000173948 0.000631247 0.00036079 0.000342109 0.000405706 0.001093114 0.000421346 0.000612584 0.000801981 0.000784619 0.000988159 0.000568699 0.000673565 0.000388348 0.000733863 0.000506443 0.00042634 DG(3:0_18:1)+H 0.004324609 0.003699823 0.003911685 0.003396045 0.00471378 0.003846189 0.003226433 0.003554541 0.003401594 0.003170031 0.003174736 0.002950262 0.002864157 0.004051046 0.004269122 0.00486566 0.005277113 0.003065509 PE(16:1_18:1)+H 0.037469472 0.04373504 0.034141197 0.036891285 0.05348238 0.041232499 0.004331691 0.015642931 0.014149146 0.011000012 0.018908051 0.010694234 0.016147593 0.013791445 0.01710029 0.0209856 0.019253637 0.015691195 TG(16:0_18:0_19:1)+NH4 0.034946296 0.191313481 0.120103359 0.148499913 0.173093251 0.14759008 0.01163028 0.049890055 0.012400572 0.037937593 0.013779766 0.03632586 0.021966257 0.084986 0.091738606 0.095403618 0.039680246 0.02203104 TG(17:1_17:1_19:1)+NH4_3 0.039715646 0.045451979 0.02398858 0.039027659 0.043373025 0.030849892 0.005630495 0.010124428 0.007877405 0.007076714 0.027432707 0.019115812 0.044672817 0.020312123 0.019925582 0.06156491 0.018888033 0.014794702 PC(3:0_20:0COOH)+H 0.001902381 0.000488483 0.001723589 0.001925555 0.001390557 0.001253722 0.00230767 0.001504094 0.002211563 0.001744068 0.002627432 0.0018836 0.003234737 0.002620959 0.002122116 0.003067252 0.004143564 0.001778645 LPE(19:0)+H_1 0.004916612 0.005299217 0.003531559 0.005673857 0.006449107 0.005223582 0.001223949 0.001893793 0.001619799 0.001136 0.001478134 0.001563958 0.002004763 0.001372976 0.001842032 0.002727854 0.00299688 0.001507594 PC(8:0_11:0CHO)+H 0.000964845 0.000216965 0.001524454 0.001310291 0.001245151 0.000685633 0.000926661 0.000665063 0.001128632 0.000992934 0.001268251 0.001052059 0.001234495 0.001591925 0.001049526 0.002301142 0.001486036 0.000971647 PE(7:1CHO_18:1)+H 0.006483656 0.00688766 0.003049806 0.00051928 0.006044197 0.006473168 0.004572974 0.00029398 0.000297369 0.00023896 0.004099145 0.003595383 0.003325096 0.003411491 0.004166468 0.005858328 0.004705782 0.003210291 TG(16:1_17:1_18:1)+NH4_1 0.508140297 0.58578074 0.468909029 0.504495188 0.595565267 0.541442858 0.155515335 0.282755914 0.23461998 0.123103025 0.264837534 0.21495717 0.231978891 0.244906926 0.240411024 0.293008499 0.425833078 0.310212262 TG(18:1_19:1_18:2)+NH4_2 0.00124271 0.000626524 0.000696639 0.00120252 0.00075283 0.000707837 0.000212209 0.00085864 0.000265639 0.000260872 0.000428188 0.000415636 0.000871204 0.000624641 0.000419665 0.000460469 0.000839963 0.000712098 CerPE(d17:1_22:0)+H 0.022256579 0.021435459 0.017334959 0.020481876 0.026691218 0.020142137 0.006979198 0.008365605 0.007201362 0.007331916 0.010316028 0.00660589 0.008319598 0.008165173 0.009982447 0.013352856 0.011064387 0.008125578 TG(O-14:1_18:1_4:0)+NH4 0.001239224 0.010476488 0.000607066 0.008122607 0.008757961 0.01000166 0.000264408 0.000324997 0.00032084 0.000969712 0.001153861 0.000143416 0.000560776 0.000282424 0.003936387 0.002991673 0.000458955 0.003338734 AcCa(19:0)+H_1 0.002428055 0.002414625 0.001377212 0.00228114 0.00225808 0.002267346 0.00050741 0.000802944 0.000753265 0.000564597 0.001403673 0.000818155 0.000995683 0.001455768 0.001202884 0.001035831 0.001032829 0.000938824 TG(15:0_17:1_20:5)+Na 0.002280974 0.002588293 0.002024924 0.001946135 0.002643366 0.002013844 0.001125199 0.001587774 0.0013002 0.000897293 0.001581187 0.001038901 0.001464072 0.00128046 0.00137987 0.002044722 0.001764674 0.001551265 PC(18:1_18:3)+Na_3 0.014307952 0.007278386 0.015707903 0.00527408 0.017969255 0.005252479 0.003811806 0.008167993 0.001055936 0.006081026 0.007173144 0.005374868 0.013294405 0.012271062 0.012979054 0.003246393 0.015258958 0.003325241 TG(2:0_17:1_18:1)+NH4 0.003655124 0.002738145 0.003474186 0.002762467 0.002924254 0.003327691 0.000829008 0.001701939 0.001236121 0.000257971 0.001527724 0.001131598 0.003384713 0.004139218 0.004548967 0.001087248 0.001162377 0.000867791 DG(19:1_18:3)+NH4_2 0.009780761 0.008756546 0.001525158 0.006398854 0.003278505 0.008881061 0.000582257 0.000884874 0.001132125 0.000497088 0.001199784 0.000642193 0.004053952 0.00153528 0.001683431 0.000976845 0.000951335 0.001491077 TG(14:1_15:1_16:1)+NH4_2 0.102380046 0.108927562 0.060502151 0.076120504 0.093553093 0.092309079 0.018237416 0.002241739 0.041420131 0.001402209 0.001616972 0.033193194 0.064639049 0.002876494 0.003132505 0.078511041 0.084474316 0.06129568 TG(18:0_18:1_20:4)+NH4 0.007844524 0.015459181 0.010819868 0.007161823 0.008614225 0.015191787 0.010393438 0.007185119 0.010051038 0.005701082 0.011192462 0.005768138 0.006335431 0.003062072 0.007423864 0.007838185 0.005536506 0.005679715 PC(16:2CHO_17:0)+H_1 0.00168965 0.000244157 0.001188119 0.00154227 0.001357081 0.001097803 0.000758411 0.00060727 0.000883045 0.000897939 0.001019626 0.000748451 0.00126017 0.000974054 0.001150771 0.001076833 0.001057515 0.000635414 PE(18:0_19:1)+H 0.048607099 0.049565773 0.034877993 0.046005113 0.056590146 0.041691099 0.023387471 0.024993509 0.017253909 0.018892608 0.02376469 0.017386866 0.022369736 0.020983967 0.027331823 0.036717838 0.032911722 0.021277767 PC(20:5_19:4)+H_4 0.005729015 0.030037657 0.010015253 0.00451175 0.007644482 0.025027617 0.000632374 0.000624316 0.000395198 0.000314373 0.000780531 0.000385086 0.000682461 0.000610423 0.000768384 0.001284906 0.002387081 0.000763352 TG(22:0_17:1_20:5)+NH4 0.004238816 0.005744934 0.004179349 0.003772356 0.005266153 0.003888832 0.001836949 0.002703093 0.002686504 0.001860546 0.002191799 0.001656511 0.002246169 0.002484377 0.002350789 0.003014375 0.003001781 0.002492633 TG(15:1_15:1_16:3)+NH4_3 0.003677313 0.010416726 0.004795541 0.006218069 0.006728596 0.00634168 0.00143042 0.001695162 0.001287552 0.00226352 0.001536464 0.001053142 0.002613728 0.006043226 0.002732589 0.00373517 0.001562842 0.001147186 TG(18:1_16:3_18:3)+NH4 0.09529037 0.112087459 0.006873828 0.085940216 0.011447209 0.010930166 0.00046082 0.002953698 0.002377912 0.000819816 0.002642846 0.001220067 0.024539058 0.002940401 0.006494354 0.034813214 0.003605541 0.003029885 AcCa(22:1)+H 0.000825755 0.000916011 0.000702679 0.000690184 0.000820333 0.000923596 0.000418267 0.000308911 0.000233473 0.000380778 0.000400007 0.000211015 0.000406523 0.000376745 0.00030689 0.000513905 0.000478739 0.00041079 PC(27:2_9:1CHO)+H 0.001057927 0.000503778 0.000273039 0.000412884 0.000631153 0.000134609 0.00048449 0.000329337 0.000347991 0.000280924 0.000405129 0.000266129 0.000710534 0.000478671 0.000693537 0.000962836 0.000351155 0.000232509 PC(20:5_16:1)+Na 0.003264372 0.015296181 0.002922374 0.00376612 0.010820499 0.010928059 0.000185408 0.005529951 0.00545314 0.000187855 0.00458764 0.000710267 0.00131435 0.007283331 0.007309843 0.010372811 0.002343047 0.015382607 PE(17:2_18:0)+H 0.00222628 0.001000427 0.000816349 0.001400515 0.001079731 0.000878462 0.000344831 0.000483276 0.000387168 0.00058459 0.000410682 0.000566049 0.00067173 0.000404767 0.000519624 0.001175728 0.000633018 0.000679435 TG(15:0_17:0_17:0)+NH4_2 0.010273636 0.020469344 0.008486138 0.015478491 0.018618177 0.011573201 0.007204867 0.003979025 0.005110422 0.004431078 0.006230485 0.004240169 0.008219023 0.005417272 0.004866767 0.00666813 0.007487606 0.006781314 AcCa(8:0)+H 0.003307602 0.004635737 0.003595211 0.004001622 0.002943216 0.002573418 0.002593971 0.002307084 0.001386053 0.001771914 0.002245761 0.0021543 0.002846157 0.002408797 0.002017856 0.002205882 0.002828481 0.002684117 TG(15:0_18:2_20:5)+Na 0.001918746 0.002488281 0.002338985 0.002682043 0.002126564 0.002275858 0.000896138 0.001816248 0.000495867 0.00053178 0.000489656 0.000368554 0.000893149 0.001860593 0.000649716 0.001431794 0.001293773 0.001843054 TG(15:1_16:1_17:1)+Na 0.00164718 0.002977495 0.001676983 0.001438216 0.00199285 0.001844704 0.004046873 0.005058029 0.003673067 0.004150641 0.00347698 0.005194925 0.004017867 0.003629553 0.003502032 0.003838856 0.003818724 0.003330531 LPE(19:0)+H_2 0.003734102 0.003806563 0.002498023 0.003267306 0.004342694 0.003796347 0.000415821 0.001242493 0.00117993 0.001005107 0.001357592 0.001057724 0.001085848 0.001022198 0.00150751 0.001712921 0.001737549 0.001259495 DG(17:0_27:4)+Na 0.00152498 0.001428096 0.002170968 0.00159495 0.00145414 0.001276896 0.004522079 0.002685808 0.004423108 0.005462041 0.003763633 0.00411717 0.004343075 0.002221474 0.004767953 0.002568317 0.0021779 0.001932623 TG(17:1_18:1_18:3)+Na 0.000353924 0.001223106 0.001214431 0.000916454 0.001396677 0.000837819 0.001098571 0.001154155 0.000967219 0.001185496 0.001095354 0.001079486 0.000839197 0.000749704 0.00127676 0.000828041 0.000876762 0.001067564 TG(17:1_20:4_20:5)+NH4_2 3.36E-06 2.02E-06 0.078622914 0.103759839 6.46E-06 0.000275416 2.91E-05 1.51E-06 6.64E-07 4.12E-08 0.011851304 4.37E-08 0.000181635 8.19E-05 0.02867914 0.030329085 9.91E-07 0.02372368 PE(P-19:1_18:2)+H_2 0.000849903 0.005891735 0.000624835 0.000709598 0.000767763 0.00066909 0.000495394 0.000173744 0.000187152 0.000494465 0.000114445 0.000112169 0.000348869 0.000358414 0.000326129 0.001027374 0.001659545 0.000402382 PG(18:0_18:1)+NH4 0.015997662 0.014961655 0.013308701 0.015427674 0.018578422 0.01433321 0.009064694 0.008130268 0.007577767 0.007480856 0.008888392 0.006795552 0.008821018 0.008409596 0.008913068 0.011882806 0.012005454 0.007279998 LPE(20:0)+H 0.01004188 0.009207917 0.005545547 0.008684069 0.01126242 0.008935645 0.00193212 0.003511475 0.002954923 0.003230006 0.00435921 0.00309049 0.00360812 0.003097734 0.004110856 0.005563236 0.005172852 0.003211256 PE(10:0CHO_17:0)+Na_2 0.001556567 0.000360202 0.001285439 0.001371801 0.001509747 0.001166365 0.0009908 0.000780825 0.001009486 0.001115795 0.00100011 0.000846909 0.001293616 0.000884648 0.00105172 0.001550606 0.001497401 0.000876382 TG(17:1_17:1_18:1)+Na 0.001653721 0.002693362 0.002319683 0.001551347 0.00262333 0.002296932 0.002210416 0.002644059 0.002069467 0.002139539 0.002691457 0.002198574 0.002286859 0.001958425 0.001720525 0.002206063 0.002372099 0.001508024 TG(5:0_20:0_17:1)+NH4 0.00265019 0.002562774 0.001712349 0.002173349 0.003769788 0.002253205 0.000176655 0.000229266 0.000228848 0.000181883 7.16E-05 8.60E-05 0.000535946 0.000831545 0.000488483 0.015514221 0.013329165 0.001148224 TG(17:1_17:1_18:2)+Na 0.001203701 0.002204506 0.000852295 0.000852253 0.001101666 0.001332842 0.001371455 0.001193418 0.001467566 0.001717922 0.001374405 0.001607656 0.001596319 0.000906456 0.000762956 0.00130731 0.001479178 0.001044812 PE(P-18:0_17:1)+H_2 0.005636911 0.008104384 0.001211906 0.006298041 0.006434623 0.007570637 0.000216261 0.001958782 0.001626557 8.23E-05 0.002002097 0.001480569 0.000228274 0.003143655 0.000659113 0.004410138 0.004356691 0.003161909 TG(22:0_17:1_20:4)+NH4 0.006425253 0.008311591 0.004514748 0.010128227 0.006355477 0.010438272 0.001437853 0.001567828 0.0022301 0.001127498 0.003865061 0.001454576 0.002599167 0.003047076 0.002910043 0.002456334 0.006512738 0.002220179 TG(17:1_17:1_18:1)+NH4_3 0.001784614 0.001454714 0.001065291 0.002338244 0.003114062 0.002857263 0.000449682 0.001636013 0.000500626 0.00054255 0.000802355 0.000561493 0.000754508 0.001448245 0.001047599 0.00197832 0.001494046 0.000648566 PE(17:1_17:1)+H 0.049747029 0.050309807 0.045020593 0.046336702 0.063969931 0.047999839 0.01944633 0.027791745 0.021492056 0.021950884 0.026834684 0.022495082 0.027210721 0.020650158 0.028106316 0.039241804 0.039978362 0.022484518 TG(9:0_17:1_18:3)+NH4 0.011470301 0.009360638 0.004963039 0.000571777 0.007491537 0.007586689 0.001060281 0.002174938 0.001330873 0.001303648 0.001975274 0.001292201 0.002281032 0.002417103 0.002925683 0.003212506 0.000445462 0.002373771 TG(18:1_18:2_20:5)+Na_2 0.001068566 0.001134365 0.000972286 0.000851448 0.001297995 0.000829645 0.000538761 0.000677248 0.000612284 0.000657332 0.000490245 0.000606237 0.000968876 0.000665435 0.000674862 0.000603673 0.000651549 0.00065238 DG(2:0_18:1)+H_1 0.018044546 0.015710846 0.017313493 0.013423008 0.016811397 0.014749022 0.015233923 0.013255081 0.012951187 0.012453268 0.011720137 0.01273584 0.012675415 0.012873846 0.023112814 0.020559516 0.015806164 0.012922274 TG(15:0_16:0_16:1)+NH4 0.023322552 0.028975781 0.002753032 0.014483635 0.00019733 0.027183518 0.000651328 3.94E-05 0.000718992 1.42E-05 3.65E-05 0.000484851 8.20E-05 0.001043072 0.000935665 0.001593795 0.001199298 3.07E-05 TG(17:1_18:1_18:1)+NH4_2 8.10E-05 0.000353768 3.29E-05 8.79E-05 0.000256735 0.00015207 9.40E-05 0.000272649 9.07E-05 2.62E-05 0.000378202 1.13E-05 4.62E-05 7.09E-05 6.59E-05 3.89E-05 2.19E-05 1.64E-05 TG(17:1_17:1_17:1)+NH4_2 0.001219609 0.002886592 0.00203666 0.001142244 0.003385476 0.001760689 0.001197343 0.002285122 0.000989726 0.001269256 0.000715567 0.000676288 0.00245888 0.001814445 0.001191104 0.002994902 0.00148376 0.001085294 TG(18:2_18:2_18:2)+NH4 0.008698295 0.013657908 0.00754147 0.008939817 0.008062167 0.009209309 0.006770768 0.001391089 0.001896242 0.00148857 0.0028604 0.001538182 0.005777864 0.005981741 0.003540715 0.003118583 0.004508436 0.003031973 PA(18:1_18:1)+NH4 0.000335767 0.000158618 0.000489368 0.000285491 0.000197212 0.000276775 0.000612439 0.000411151 0.000461873 0.000614637 0.00049685 0.000496157 0.000545906 0.000484936 0.000294887 0.000482375 0.000450043 0.000182778 TG(19:1_20:1_20:5)+NH4_1 0.007252988 0.0111068 0.009881283 0.009183414 0.008064045 0.006126323 0.002387392 0.006116964 0.004422861 0.001795654 0.004532774 0.001611178 0.004944104 0.003539899 0.004935476 0.006649063 0.004935347 0.004182157 TG(18:1_19:1_20:1)+NH4_2 0.228005659 0.001174697 0.074981653 0.147230097 0.001750279 0.002292002 0.000410122 0.000747454 0.000609119 0.000533625 0.000612881 0.000480822 0.052898264 0.001012807 0.060601406 0.001746798 0.000929591 0.000700799 TG(12:0_14:0_17:1)+NH4_2 0.000758059 0.000677902 0.009845334 0.016428655 0.018098937 0.016379304 1.50E-06 8.47E-07 5.55E-05 1.04E-06 8.63E-07 1.09E-06 0.000129649 0.006028847 1.26E-06 2.24E-06 8.64E-05 0.005696158 LPE(15:1)+H_1 0.003630471 0.003237587 0.002277657 0.003532424 0.003820977 0.002996924 0.000538259 0.000548949 0.00058647 0.000512039 0.000732836 0.000523286 0.000807118 0.001518855 0.000800244 0.004632154 0.001013132 0.000700561 TG(16:1_18:1_18:4)+NH4 0.068743646 0.079687673 0.046210818 0.066228662 0.071125257 0.066587357 0.030175171 0.011841425 0.008715882 0.006453858 0.010033762 0.006389437 0.015876418 0.01655539 0.020520883 0.027339582 0.025707547 0.100552966 PC(18:1_8:1COOH)+H 0.006680711 0.001740182 0.007388603 0.005190553 0.005282552 0.003936552 0.008152564 0.005501168 0.008452165 0.007897517 0.01032524 0.008532402 0.01107 0.010931207 0.007550616 0.01013368 0.010921295 0.007317564 DAP(O-12:0_O-4:0)+H_7 0.058987167 0.216133784 0.067972286 0.075987633 0.061863326 0.073198649 0.043659562 0.047025802 0.04549728 0.032118916 0.018510725 0.046135373 0.053446181 0.047614641 0.034319395 0.060644186 0.061120031 0.037898223 TG(26:0_17:1_20:5)+NH4 0.003479233 0.003657034 0.002254223 0.002281854 0.002841963 0.002878764 0.000475614 0.000546227 0.000369651 0.000291139 0.000836755 0.000540049 0.00046201 0.000775059 0.000872645 0.000983389 0.000533907 0.0005334 TG(16:1_17:1_18:1)+NH4_2 0.010646051 0.482822273 0.001971505 0.011467305 0.017127597 0.000556828 0.000252584 0.014443174 0.013292832 0.000669375 0.000319393 0.006183365 0.00063474 0.465775625 0.000459685 0.585747996 0.011542647 0.01007515 PE(O-19:0_17:3)+H 0.008650347 0.000425341 0.00599742 0.006794388 0.000779357 0.007597104 0.001710662 0.000270803 0.000291134 0.00223511 0.000111821 0.000127318 0.003543598 0.006519645 0.000161178 0.004365623 0.000511021 0.000331693 TG(14:1_15:1_17:1)+NH4_2 0.001075471 0.001089525 7.77E-07 0.001337679 0.001114976 1.79E-06 0.000380832 0.00016894 0.000373367 0.000406747 0.11824906 0.000324506 0.000256084 0.001032776 0.180404511 0.199494495 0.001218841 0.153211909 DAP(O-4:0_O-4:0)+H_1 0.008711083 0.011455076 0.0076429 0.010634364 0.014859001 0.010295486 0.010876491 0.013568955 0.013015545 0.015488395 0.010611557 0.011983143 0.010969106 0.009174169 0.009608402 0.015520221 0.008962492 0.00952199 PE(17:1_19:1)+H 0.054754574 0.054422336 0.044553479 0.051903537 0.057039969 0.054652082 0.000260952 0.03291684 0.026499676 0.027351642 0.031373949 0.027196545 0.031547466 0.02352991 0.031692626 0.062560967 0.039155072 0.027359728 TG(7:0_18:2_18:2)+NH4 0.001942627 0.001621324 0.000953052 0.001150679 0.001659165 0.00137013 0.000411773 0.0009233 0.000293166 0.000369158 9.93E-05 0.000619607 0.000256129 0.000261329 0.00033277 0.000143183 0.000330892 0.000282333 PC(20:5_18:3COOH)+H 8.87E-05 0.00019329 6.30E-05 0.00010237 0.000223383 0.000185305 1.18E-10 1.19E-10 5.67E-05 2.42E-10 9.94E-05 1.81E-10 0.000134009 2.71E-05 7.36E-05 2.10E-05 DAP(O-12:0_O-4:0)+H_8 0.078900765 0.115084454 0.095530732 0.071050435 0.1085063 0.083298451 0.142281834 0.108939939 0.106173297 0.104863817 0.121969209 0.112158014 0.118548663 0.091235133 0.083370459 0.102882169 0.121710558 0.101077097 PE(20:5_17:1)+H_4 0.000810316 0.000616747 0.000181411 0.000660155 0.000720931 0.000870924 2.89E-07 0.000123939 1.55E-05 3.04E-05 4.09E-05 8.86E-05 0.000239995 1.30E-06 7.77E-05 0.000182917 8.04E-05 8.38E-05 PE(17:0_16:1)+H_2 0.020980007 0.024362087 0.012932644 0.022432252 0.028084992 0.021434653 0.007033494 0.009316947 0.005409988 0.006788353 0.008797506 0.008547621 0.010153197 0.006678795 0.008435935 0.012753624 0.011734684 0.007009566 AcCa(9:0)+H 0.003657524 0.004971366 0.003958775 0.003343569 0.005201789 0.004032729 0.002773298 0.003109906 0.002998223 0.001586191 0.00201761 0.00207236 0.002905484 0.003001749 0.002430869 0.002995362 0.003699363 0.002420301 TG(5:0_18:1_18:2)+NH4_2 0.000275937 0.000922371 0.000122313 0.000763764 0.000633467 0.000650715 0.000428071 1.22E-06 3.78E-07 3.54E-07 0.001321683 0.000888995 2.20E-05 0.000140759 0.000139205 8.66E-05 0.000104958 6.47E-05 TG(15:1_16:1_17:1)+NH4_2 0.173167453 0.167003342 0.113113801 0.153564454 0.166032973 0.160656216 0.114558594 0.033412487 0.03554849 0.027597548 0.035025104 0.021933062 0.063924873 0.063488223 0.070753389 0.071387597 0.078436747 0.052196717 TG(17:1_18:1_18:1)+NH4_3 0.328839421 0.443836515 0.295053574 0.304218418 0.37167768 0.817442097 0.393852476 0.517189247 0.575329699 0.576303245 0.46752815 0.574841492 0.382932027 0.377206868 0.363672667 0.485149657 0.637187372 0.380227154 AEA(15:1)+H_2 0.123334442 0.091473684 0.013384909 0.043267352 0.070202432 0.050342876 0.027469703 0.020207673 0.006626371 0.01241904 0.014779968 0.019383018 0.019935286 0.012507392 0.019849865 0.047913209 0.016693284 0.05347402 TG(17:1_17:1_20:5)+Na 0.000745749 0.002171262 0.001311079 0.000605198 0.002740817 0.001132686 0.000950741 0.00085579 0.00083679 0.000624739 0.000905323 0.001016225 0.000730589 0.000546004 0.000787629 0.000923337 0.000766563 0.000791732 TG(19:1_20:1_20:3)+NH4 0.005660629 0.006707451 0.007120324 0.006570651 0.005735697 0.008321181 0.003795064 0.002844705 0.002009152 0.002743559 0.00402449 0.001828209 0.002806347 0.003377378 0.003212534 0.004161437 0.00646995 0.002975387 PC(17:0_20:5)+Na_2 0.016307805 0.023009727 0.016556491 0.016890242 0.021129778 0.016482187 0.008135535 0.012565606 0.009729444 0.007482672 0.007617423 0.006033897 0.014262255 0.013826106 0.013929227 0.000930281 0.016674017 0.013174561 CerPE(d17:1_16:0)+H 0.000647372 0.000537584 0.00049731 0.000537727 0.000795157 0.000418534 0.000603113 0.000438833 0.000301575 0.000356666 0.000556732 0.000377962 0.000491228 0.000487684 0.000576385 0.000714647 0.000547287 0.000379364 TG(18:1_18:1_19:1)+NH4_3 0.005542809 0.289362571 0.186220744 0.005557864 0.27135585 0.007878297 0.000929805 0.002419484 0.001782102 0.001809734 0.183239735 0.0015401 0.003488017 0.004646472 0.204641378 0.230152619 0.226865104 0.00319149 Cer(d17:1_16:0)+H 0.001357579 0.001588599 0.001256368 0.001298111 0.001469858 0.001230051 0.000937374 0.000698965 0.000641523 0.000724601 0.000945127 0.000581577 0.000907747 0.000882614 0.000751294 0.000797666 0.000974635 0.000809435 MG(18:0)+NH4 0.000317186 0.00060055 0.000157488 0.000224122 0.0001231 0.000117763 0.000110207 3.07E-05 0.00019069 4.81E-05 1.57E-05 0.000171742 9.81E-05 0.000125198 0.000262314 0.000863216 0.00015796 0.000108982 TG(15:0_18:1_18:1)+NH4 0.15063841 0.234090757 0.210064123 0.16727873 0.242547601 0.158853941 0.018819724 0.043801474 0.094327453 0.042216914 0.077320518 0.03942317 0.068341812 0.080762241 0.068648919 0.060865307 0.073599186 0.061507656 AcCa(20:2)+H 0.002211545 0.002041176 0.001065757 0.001778194 0.001635206 0.00193955 0.000427177 0.000479805 0.000531492 0.000670296 0.000833454 0.00092948 0.000666045 0.001255261 0.000820252 0.000635954 0.000642765 0.000894856 TG(18:1_19:1_19:1)+Na 0.001246104 0.001780911 0.001465917 0.000999493 0.00155102 0.00102802 0.001232713 0.001438074 0.001084656 0.001102337 0.001132648 0.001249596 0.001303144 0.000965355 0.001007522 0.001269898 0.001052442 0.000976601 PC(16:2CHO_17:0)+H_2 0.003011587 0.001037952 0.001848216 0.002366593 0.00288471 0.001766905 0.001270775 0.000976258 0.001703863 0.001437155 0.001860652 0.001238182 0.002219078 0.001471267 0.001827326 0.002082423 0.001703095 0.000992129 TG(13:0_14:1_14:1)+NH4 0.004306587 0.003131509 0.00195051 0.003383683 0.00275726 0.001497557 0.00017499 0.000435972 0.000279031 0.000348667 0.000401279 0.000269988 0.000899926 0.000581362 0.001882568 0.013183269 0.000605808 0.000970096 PC(18:3_19:1CHO)+H 0.001081448 0.001029802 0.001315144 0.00085597 0.001023734 0.00068477 0.001680976 0.001517573 0.001057688 0.001331378 0.001802441 0.001021041 0.001325057 0.001154991 0.001273521 0.000856963 0.001293729 0.001313189 TG(13:1_14:1_15:1)+NH4 0.021005651 0.021609397 0.010127928 0.016593286 0.017400706 0.017460408 0.006519044 0.00617618 0.005578069 0.005310818 0.006361155 0.004847549 0.005150781 0.006476872 0.008731046 0.00639979 0.007310858 0.00542896 TG(15:1_15:1_17:1)+Na 0.000794058 0.001486759 0.000915114 0.000997033 0.000953845 0.000535327 0.004749178 0.003294311 0.002516344 0.003161887 0.002727071 0.003199703 0.00279573 0.00285779 0.002093014 0.002792012 0.00362025 0.002509887 TG(17:1_17:1_15:2)+NH4 0.217229363 0.100797227 0.002469867 0.070055195 0.078941965 0.201423977 0.015302834 0.021314973 0.013894733 0.013406026 0.0558078 0.000539619 0.033783079 0.001177567 0.038968973 0.043384456 0.052241637 0.032403623 TG(15:0_16:1_16:2)+NH4 0.036212523 0.055325892 0.032403016 0.03264796 0.051558031 0.035755161 0.001123596 0.005030469 0.004167427 0.00367521 0.003407962 0.002264358 0.006661511 0.00670599 0.028724483 0.176359242 0.010782716 0.005902953 PC(16:1_8:0CHO)+H 0.004382741 0.00136822 0.003132785 0.003184255 0.003659883 0.003189304 0.004828553 0.002198159 0.002942367 0.003392608 0.00461786 0.003703046 0.004776319 0.00533047 0.003090511 0.006641298 0.004905223 0.002617908 LPE(15:1)+H_2 0.000264069 0.000447211 0.000355912 0.000400759 0.000424679 0.000536056 0.000117964 5.15E-05 5.75E-05 7.34E-05 0.000108273 9.83E-05 0.000111776 0.00020607 0.000113914 0.001006972 0.000136592 7.71E-05 PC(15:0_20:1CHO)+H 0.000652607 0.000132736 0.001102667 0.000727193 0.000706425 0.000477321 0.00137262 0.00038256 0.000884677 0.000799354 0.000908449 0.000815903 0.001651921 0.001053099 0.000940055 0.000811631 0.001193145 0.000901531 PE(18:0_16:1)+H 0.012375512 0.046525181 0.022459272 0.045517885 0.011445094 0.05049016 0.024802071 0.024626486 0.001977665 0.017541043 0.065264269 0.007987016 0.082901049 0.005174424 0.032326808 0.043903318 0.020824966 0.07454895 TG(2:0_2:0_18:1)+H_2 0.014987272 0.012208812 0.012440373 0.010510958 0.01360131 0.011124205 0.012342821 0.009390247 0.011564695 0.011150722 0.008314893 0.009699694 0.011237976 0.010681257 0.023484232 0.013345715 0.011245276 0.009191472 PC(18:1_20:0CHO)+H_2 0.002021057 0.001623091 0.001250609 0.00176534 0.003348039 0.00157656 0.001430437 0.002071038 0.001508431 0.001640922 0.001798948 0.001374506 0.001542342 0.002431286 0.001381599 0.000354533 0.001209575 0.000451179 DG(17:1_17:1)+NH4_1 0.005435044 0.005183436 0.005504639 0.004441821 0.006059188 0.005633122 0.005631854 0.00056368 0.004879873 0.005388796 0.000237827 0.005635444 0.005124555 0.005405233 0.00489522 0.004878069 0.004463752 0.005475423 DG(16:0_18:0)+NH4 0.000398151 0.001817882 0.000799205 0.001090773 0.000835996 0.000771205 0.000467934 0.000500819 0.000704274 0.000571942 0.000488666 0.000794549 0.000564067 0.000622605 0.000628164 0.002379329 0.000755254 0.000722104 PC(17:1_18:1)+Na_3 0.014779749 0.013789672 0.039931267 0.014046206 0.01424791 0.005313439 0.035854434 0.04245508 0.00250548 0.002665377 0.039762364 0.038702453 0.008991058 0.010989308 0.007895448 0.00611091 0.033971453 0.028395164 TG(14:0_14:0_16:0)+NH4 0.037638701 0.043838067 0.024284105 0.0021107 0.002184083 0.037565693 0.000652829 0.000947721 0.004312331 0.002294708 0.00065681 0.000698062 0.001710136 0.002015854 0.002258862 0.018484561 0.003521609 0.001479307 TG(9:0_18:1_18:2)+NH4 0.018434091 0.02202203 0.009501397 0.019987911 0.017113656 0.0170507 0.004969224 0.005550597 0.041420131 0.003802812 0.004242581 0.003659985 0.001285011 0.001628478 0.002347435 0.005763235 0.005911437 0.003240464 TG(19:1_19:1_20:4)+NH4_1 0.008754464 0.01236117 0.008831537 0.009900039 0.009641398 0.009924845 0.000203154 0.006731337 0.005071186 0.005045347 0.005324126 0.004585353 0.005185268 0.004919078 0.004964566 0.006681999 0.006529316 0.005292843 PE(7:1CHO_18:0)+H 0.00263424 0.00048682 0.001803667 0.002203583 0.00202361 0.001792786 0.002359825 0.001468312 0.002395753 0.002257966 0.002935303 0.002212492 0.00362179 0.002621208 0.002315819 0.003118498 0.002790445 0.001533332 DAP(O-12:0_O-4:0)+H_9 0.288232846 0.331680924 0.350710054 0.250997027 0.354401906 0.305657287 0.261773413 0.243119593 0.19590862 0.220208244 0.256724668 0.22449021 0.24275069 0.237499543 0.252220319 0.262333858 0.27866723 0.218219694 DAP(O-12:0_O-4:0)+H_10 0.288232846 0.331680924 0.323051691 0.250997027 0.354401906 0.3185626 0.261773413 0.243119593 0.19590862 0.220208244 0.256724668 0.22449021 0.24275069 0.237499543 0.252220319 0.262333858 0.27866723 0.218219694 TG(18:1_18:2_18:2)+NH4 0.014940002 0.01842524 0.020038302 0.02148732 0.015447256 0.013625248 0.017758596 0.010093387 0.01282426 0.038372036 0.008227254 0.038446762 0.014014902 0.017990669 0.013877349 0.01719156 0.014069918 0.0095137 TG(14:1_14:1_15:1)+Na 0.001159448 0.001637258 0.000964699 0.001065327 0.001047566 0.000954733 0.001538583 0.002583608 0.001583075 0.001791645 0.002147846 0.001649524 0.001741745 0.001598456 0.001874043 0.001372636 0.001971241 0.001440234 TG(15:1_15:1_15:1)+NH4 0.000985263 0.000216112 0.000133533 0.000129962 0.000267432 0.061181942 0.000449923 0.000440101 0.039028888 0.000504869 0.000604339 0.000477366 0.000175486 0.080051066 0.07536693 0.001049325 0.0010801 0.000966018 PC(O-15:2_28:0)+H 0.000776068 0.000919061 0.001019022 0.000860108 0.001310963 0.000951781 0.00098005 0.0010672 0.001075241 0.00130671 0.00108026 0.000818188 0.001113148 0.000749005 0.000935276 0.001011886 0.001064316 0.000889199 PE(O-9:0_26:2)+Na 0.000736715 0.001094325 0.000997737 0.000879233 0.001372165 0.000980803 0.000774423 0.000898035 0.000719902 0.000612874 0.000595814 0.000787542 0.000909002 0.000758159 0.000669408 0.000864352 0.00097039 0.000678984 TG(17:1_18:2_20:4)+NH4_2 0.111388953 0.000322146 0.081055775 0.000232537 9.75E-05 0.122122144 0.000637558 0.017305133 0.001200107 0.00079694 0.001322092 3.53E-05 0.026893486 7.11E-05 0.002051373 0.032124826 0.002354558 0.001533053 DG(18:0_19:1)+NH4 0.001850239 0.001651833 0.000874541 0.001464055 0.001561572 0.00162869 0.000237888 0.000354118 0.000310708 0.000988073 0.000336314 0.000718341 0.000587584 0.00062868 0.00075657 0.000620131 0.000587685 0.00058954 TG(O-15:0_18:0_3:0)+NH4 0.003861185 0.007498324 0.003025208 0.002859305 0.002368096 0.001538625 0.001843902 0.001331902 0.002783828 0.000963348 0.001024423 0.002538701 0.001205611 0.001484371 0.002325375 0.01263785 0.00289436 0.001935901 DG(18:0_18:0)+NH4 0.003879273 0.007406193 0.002992241 0.002925515 0.002340491 0.001485569 0.001748644 0.00129597 0.002958935 0.000965963 0.001017411 0.002599238 0.001193507 0.001473933 0.002374011 0.012954534 0.002873674 0.001928145 TG(9:0_18:1_20:4)+NH4 0.002900451 0.002841415 0.00190982 0.002838514 0.002990622 0.002056785 0.000115466 0.000288895 0.000942767 0.003255877 0.005110775 0.003154124 0.000576958 0.000309873 0.001837591 0.014885394 0.015043876 0.000381599 TG(15:0_18:0_18:2)+NH4 0.013163236 0.010193511 0.014394913 0.010209486 0.01127908 0.013226891 0.001792207 0.008423338 0.007816643 0.001983494 0.004031447 0.000696759 0.002979636 0.0003261 0.004552513 0.005289193 0.000737018 0.000470348 TG(17:1_17:1_17:2)+NH4 0.000393531 0.00043332 0.000180699 0.000198975 0.000176941 0.000316165 0.000201583 0.000180747 0.00023499 0.000242627 5.62E-06 1.11E-06 0.000147506 0.000382315 0.00014275 0.000421962 0.000134662 0.000104051 PC(O-28:3_19:4)+H 0.000301806 0.000260173 0.000206921 0.000458336 0.000487129 0.000329602 8.53E-07 0.000352964 0.000172417 0.000228656 0.000177835 9.89E-05 0.000316548 0.000284179 0.000191206 0.000160768 0.000188706 0.000234789 TG(14:0_17:1_17:1)+NH4_3 0.142188654 0.179922109 0.125198025 0.133271288 0.178739554 0.138327061 0.055034554 0.071857349 0.053800938 0.054216462 0.064179794 9.40E-05 0.136435617 0.001139574 0.00130315 0.00143143 0.00142451 0.001388614 PE(20:5_18:1)+Na 0.002743415 0.004180355 0.004178129 0.003103094 0.004178537 0.002645985 0.001976488 0.003760356 0.002992452 0.002951094 0.003644299 0.002874383 0.002864745 0.002299791 0.002386731 0.002944733 0.003307391 0.00250048 AcCa(14:2)+H 0.000396547 0.00113446 0.000561007 0.0001963 0.000704403 0.000399331 0.000465861 0.000447958 0.000440522 0.00043684 0.000538112 0.000441705 0.000366864 0.000265408 0.000141449 0.000619627 0.000453891 0.000486926 PE(20:5_19:1)+H_2 0.000322618 0.046483198 0.000697715 0.001090902 0.000457419 0.001378371 0.000278098 0.000148044 0.000207456 0.000310168 0.000301516 0.000198963 0.00022213 0.000589582 0.017147401 0.000132681 0.000445221 0.000126803 TG(15:0_17:0_18:1)+NH4_3 0.000263751 0.001083744 0.000374344 0.001272727 0.000406691 0.000697941 0.000236015 0.000167087 0.000441779 0.000474696 0.000864432 0.000331088 0.00091858 0.099583812 0.000517647 0.000550529 0.000664334 0.000829335 TG(16:1_17:1_17:1)+NH4 0.301694266 0.00071139 0.288098807 0.306238957 0.375110878 0.001152555 0.000236418 0.000420986 0.000246406 0.000537553 0.000658619 0.000399235 0.001378716 0.000163842 0.000828367 0.000765063 0.414703787 0.001783411 TG(14:1_17:1_17:1)+NH4 9.76E-07 0.002078984 0.0002962 3.53E-06 0.001085648 3.55E-06 5.78E-05 2.06E-06 7.54E-07 0.000462635 0.000396285 0.000292797 3.51E-06 0.001062503 0.000890039 0.000678 0.319572144 3.29E-06 TG(17:1_18:1_19:1)+NH4_4 0.013674467 0.018727037 0.014647588 0.494092363 0.665498535 0.002105205 0.00579215 0.011663799 0.006551021 0.006191953 0.009996185 0.006891927 0.008279478 0.40723079 0.001783144 0.009669266 0.010418075 0.00964586 PE(18:1_18:1)+H_1 0.000651828 0.000765465 0.000346052 0.000825383 0.000830208 0.000743643 0.037179354 0.000162009 0.000134612 0.000152687 0.000278883 0.000241016 0.00024819 0.000206519 0.000159161 0.000188452 0.000243008 0.000194454 PC(17:1_20:1CHO)+H_2 0.000124046 5.15E-05 8.74E-05 0.000398132 9.32E-05 1.23E-06 0.001209455 0.000284909 0.000643834 0.000779706 0.000881594 0.000669285 0.00104708 0.000529241 0.000233061 0.000602643 0.000778827 0.000188041 TG(2:0_18:0_18:0)+NH4 0.002637062 0.002583008 0.001577511 0.001741187 0.001936637 0.001882747 0.001463025 0.001396236 0.001383804 0.001211086 0.001230852 0.00119875 0.001443545 0.001169786 0.001215141 0.001595155 0.00173518 0.001321122 PE(18:4_17:0)+H_2 0.001996768 0.0016811 0.001393484 0.001219891 0.001592803 0.001293102 0.000120913 0.000346695 0.000286631 0.000878344 0.000311365 0.00023738 0.000640701 0.000325242 0.000429306 0.000991582 0.00042276 0.00025676 PE(18:1CHO_18:1)+H_2 0.00311482 0.000576385 0.002243456 0.002974137 0.002882292 0.002510205 0.001306388 0.000969823 0.00185616 0.001486002 0.002192282 0.001235972 0.002303576 0.001432454 0.001633568 0.00207278 0.00215254 0.001000023 PI(18:0_20:5)+H 0.002726096 0.002549245 0.002524948 0.002230602 0.003543421 0.002702336 0.001553042 0.002150009 0.001581231 0.001611912 0.002342076 0.001626204 0.001622536 0.001511013 0.001952158 0.003320197 0.002591973 0.00168181 TG(5:0_17:1_19:1)+NH4_2 0.001383041 0.001632046 0.000444937 0.001316462 0.021242928 0.001004701 0.002047187 0.003476975 0.00253616 9.60E-05 0.000121449 8.76E-05 0.000366309 0.00861301 0.008918289 0.00040008 0.000382334 0.000268791 TG(13:1_14:1_15:1)+Na 0.001754615 0.001820025 0.000863966 0.001302387 0.001573396 0.001608009 0.000934019 0.001237235 0.000843724 0.000835549 0.000664598 0.000658805 0.000814212 0.000740248 0.000742054 0.000698163 0.00079693 0.000873758 TG(18:1_19:1_19:1)+NH4_2 0.002320088 0.015131268 0.460076928 0.466645542 0.005362904 0.002503357 0.003232201 0.006113118 0.004906393 0.003224506 0.20442751 0.000549054 0.006489414 0.007078165 0.006839875 0.005453025 0.004952395 0.005277769 PE(18:3_18:3)+H 0.001091768 0.000566703 0.00093013 0.000665434 0.001207333 0.00081648 7.78E-05 0.000396123 0.00143315 0.000138335 5.38E-05 0.00016788 0.000661131 0.000450632 0.000642593 0.000774362 0.000480447 0.000493174 TG(16:0_17:1_18:1)+Na 0.00171998 0.00181732 0.001451239 0.001210791 0.00195924 0.001016396 0.002263808 0.002231659 0.001313209 0.001712523 0.002093292 0.001946058 0.001684544 0.00126594 0.001439223 0.002117665 0.00169637 0.00220031 PC(16:2CHO_17:0)+H_3 0.001280781 0.000244914 0.001163993 0.000638408 0.000998939 0.000187186 0.000646948 0.000416263 0.000544259 0.001198401 0.000697933 0.000730014 0.000740929 0.00067512 0.000427675 0.000643456 0.000660336 0.00042847 PE(O-18:1_18:0)+H 0.001422547 0.001380036 0.000796265 0.000991497 0.001335344 0.000921143 0.000748959 0.000444337 0.000366527 0.000676733 0.000763513 0.000354139 0.000661968 0.000568665 0.000554919 0.000941807 0.00078465 0.000425218 PE(17:0_17:1)+H_3 0.01002394 0.012886269 0.00771051 0.01288167 0.014312876 0.01232622 0.002056041 0.002197002 0.006539115 0.001717103 0.007354392 0.002451954 0.005200104 0.003992192 0.003019539 0.006393102 0.006085457 0.003852648 TG(17:1_17:1_19:1)+NH4_4 0.288486383 0.011456518 0.295053574 0.010857162 0.015421293 0.27897618 0.334070188 0.352696766 0.000628918 0.276318675 0.312923219 0.000595366 0.368091805 0.013432 0.338774831 0.015817969 0.002049304 0.009727388 TG(17:0_20:5_20:5)+Na 0.001765464 0.002630005 0.001898357 0.001602907 0.002280498 0.002073226 0.000446412 0.000923234 0.000812599 0.000698867 0.000787714 0.000468024 0.001323177 0.000590477 0.000589133 0.001183504 0.000832505 0.000481974 DG(18:1_18:1)+NH4_2 0.011921856 0.001011375 0.000598124 0.00812077 0.008754623 0.010187438 0.000260319 0.000323073 0.000282885 0.000966589 0.008392073 0.000191215 0.000540329 0.000402644 0.004060558 0.002984675 0.000447171 0.01930459 PC(18:1_19:1)+Na_2 0.037325472 0.044781947 0.017818673 0.019904992 0.045401985 0.038858774 0.023792431 0.026273649 0.021764252 0.024262316 0.025583504 0.021859381 0.010571559 0.030885548 0.029878659 0.031466204 0.034433327 0.024652258 DG(18:0_18:0)+H 0.00011124 0.00032894 0.00016015 0.000120777 3.66E-05 3.39E-05 6.01E-05 4.65E-05 0.000146453 2.61E-05 2.24E-05 0.00014632 1.35E-05 4.91E-05 0.0001252 0.000592081 6.05E-05 6.43E-05 PE(20:5_15:0)+H_2 0.000479454 0.000605674 0.000407331 0.000455249 0.031777413 0.003677683 0.000341583 6.08E-05 0.000656598 0.000434833 7.74E-05 7.68E-05 0.000178382 0.000132878 0.001660097 0.000551292 0.00030364 0.000118579 TG(15:0_18:1_20:5)+Na 0.001741345 0.002512272 0.001826754 0.001419391 0.002161186 0.001947765 0.001008342 0.001479184 0.001408026 0.001397303 0.001676941 0.001523572 0.001270296 0.001040823 0.001199203 0.001161914 0.0017874 0.00135068 TG(19:1_19:1_20:4)+NH4_2 0.0069712 0.009447836 0.005473056 0.007435433 0.008371074 0.006116654 0.005935023 0.00180583 0.001771428 0.001620634 0.001355101 0.000615049 0.001307734 0.003076914 0.003478051 0.003618977 0.003389338 0.002360029 TG(14:1_16:1_18:2)+NH4_2 1.51E-05 2.71E-05 0.030540961 1.90E-05 1.88E-05 0.052695838 0.000960458 0.005933871 0.003335999 0.003555054 0.005074304 0.000313157 0.000684813 1.85E-05 0.000378303 0.092640309 1.52E-05 1.28E-05 PE(18:1_16:0)+H 0.010896623 0.014072351 0.00539583 0.009830757 0.013090132 0.010412726 0.001052207 0.003485843 0.006540544 0.002765476 0.007366314 0.002697986 0.002043442 0.001151248 0.001938791 0.002791031 0.006074595 0.003954185 PE(18:1_18:2)+Na 0.006224076 0.008236564 0.000395138 0.000483734 0.000528324 0.005988442 0.000580577 0.001369065 0.061753792 9.83E-05 0.000128952 0.000146727 0.003517119 0.002767429 0.000389701 0.003145177 0.005086441 0.000169875 TG(17:1_17:1_17:1)+NH4_3 0.002901768 0.001058447 0.001024299 0.003262997 0.005166496 0.000986836 0.000774183 0.004061316 0.000824495 0.001075555 0.001431092 0.001452269 0.001854341 0.001091352 0.001766467 0.00225874 0.002838776 0.002433412 TG(17:1_17:1_18:1)+NH4_4 0.525628415 0.011617455 0.011372788 0.585110961 0.000354581 0.555549344 0.004492619 0.009747748 0.008768393 0.00101025 0.000246035 0.000198886 0.007171079 0.003263856 0.010130338 0.00552169 0.001875305 0.006306884 TG(17:0_17:1_18:1)+H 0.000185015 0.000148311 0.00024419 0.000182778 7.76E-05 0.000183806 6.71E-05 0.000112585 0.000203065 TG(15:0_17:1_17:1)+Na_1 0.000443096 0.000799921 0.000836354 0.00042884 0.001037129 0.000654771 0.003141084 0.00036208 0.000452876 0.002898348 0.00051881 0.002652305 0.003005875 0.000362875 0.002223532 0.000601424 0.00024442 0.000300383 TG(17:1_19:1_20:3)+NH4 0.038070075 0.052429344 0.031543993 0.038534605 0.047743301 0.031812184 0.030066778 0.034060146 0.026566608 0.02520448 0.030551718 0.024686636 0.030636781 0.029448118 0.02961603 0.027807076 0.037762776 0.025818812 PE(20:4_18:0)+H 0.000645146 0.000386483 0.000602072 0.001090721 0.000262307 0.000466934 0.000270585 0.000294704 0.000209595 0.017489627 0.000299021 0.000223695 0.000702284 0.000483997 0.057777683 0.000872874 0.000738152 0.000601946 TG(4:0COOH_18:1_20:3)+Na 0.000253235 0.00420112 0.091346711 0.107330188 0.00030253 0.000158591 0.000783888 6.54E-05 0.000937204 0.025246315 0.000107 0.000120359 0.001668758 0.002045343 0.065338588 0.002067696 0.002659771 0.001561883 TG(13:1_15:1_17:1)+Na 0.001251436 0.002089574 0.001053726 0.001297782 0.001472502 0.001211273 0.005055882 0.004464101 0.003064842 0.003287527 0.003770413 0.003346419 0.003273457 0.003462281 0.003085285 0.003543703 0.004679683 0.0033468 AcCa(23:0)+H 0.000962797 0.000732766 0.00053787 0.000678451 0.000430182 0.000660393 0.000328112 0.000351176 0.000153994 0.00026933 0.000370877 0.000201614 0.000315805 0.00045433 0.0002724 0.000192219 0.00041389 0.000246351 AcCa(20:1)+H 0.007759952 0.003932726 0.002276873 0.00338702 0.003555277 0.004266502 0.001640378 0.001153604 0.001396038 0.001401745 0.000990377 0.001993251 0.001358277 0.001626509 0.001661178 0.001662632 0.001619649 0.00129479 TG(17:0_18:1_19:1)+Na 0.000921025 0.001272006 0.001234041 0.001397568 0.001229243 0.001303498 0.000780994 0.001099297 0.001032737 0.001139114 0.001388812 0.00121537 0.001389654 0.000840503 0.000884387 0.001222705 0.001512803 0.001377048 PE(18:1_18:1)+H_2 0.00450901 0.001813706 0.003845156 0.004699666 0.005151843 0.003326342 0.000377265 0.001769178 0.0028545 0.002704226 0.003771335 0.003119138 0.003281025 0.002299225 0.002596682 0.00362713 0.003178827 0.001836266 DG(2:0_18:1)+H_2 0.019228295 0.005048671 0.006560639 0.005996546 0.017830828 0.00562875 0.006403985 0.014341093 0.00428073 0.004176813 0.012742265 0.008758171 0.004594324 0.00412667 0.024793322 0.009121795 0.008007141 0.014254379 TG(8:0_8:0_8:0)+NH4 0.000264865 0.000297253 0.000375052 0.000361724 0.000306249 0.000150656 0.000474403 0.000529351 0.000759906 0.00066917 0.000502357 0.000924196 0.001130255 0.000364153 0.000351462 0.000400324 0.000605218 0.000454479 PE(10:2CHO_17:0)+H 0.001345107 0.002347805 0.000919096 0.000869521 0.000852821 0.000662987 0.000736055 0.000315558 0.001030954 0.000414275 0.000579006 0.000408142 0.000732017 0.000693367 0.000578471 0.000704673 0.000787367 0.000444332 TG(15:0_16:1_17:1)+Na 0.001783932 0.001947646 0.002453672 0.001179018 0.002737894 0.001673578 0.001187078 0.002324887 0.002287756 0.001793543 0.001974193 0.001594684 0.002435723 0.001407548 0.002357775 0.002039313 0.002785323 0.001277618 TG(14:1_15:1_16:1)+Na 0.002130147 0.003006586 0.002240007 0.002029803 0.002767876 0.002406194 0.002505022 0.004844096 0.003373104 0.003333941 0.004170351 0.003730424 0.003753797 0.003852549 0.004072492 0.00394037 0.004599937 0.00314541 PC(7:2CHO_26:0)+H 0.000621478 0.000141274 0.000366176 0.000655214 0.000539175 0.000439587 0.000300922 0.00017918 0.000272821 0.00019703 0.000425118 0.000247667 0.000383674 0.000347576 0.000276951 0.000284858 0.000309959 0.000186439 DAP(O-4:0_O-4:0)+H_2 0.018780876 0.027857245 0.014745697 0.020930301 0.021715096 0.016285422 0.014242128 0.016247449 0.019399706 0.019128521 0.02030943 0.015401765 0.01741955 0.013827024 0.012624192 0.0191306 0.022093777 0.012923233 TG(14:1_15:1_17:1)+NH4_3 0.002700166 0.004886883 0.001610053 0.003687755 0.003500325 0.003256204 0.016942311 0.030453025 0.022248142 0.014861224 0.016149019 0.020370807 0.001393881 0.040006093 0.002604601 0.0021196 0.042476167 0.001532935 PC(19:1_19:1)+Na_3 0.006184919 0.007692958 0.004879901 0.00564236 0.007047083 0.006091668 0.007652289 0.005704882 0.004624161 0.004288455 0.005002436 0.00429514 0.005372769 0.005413604 0.005145964 0.005771848 0.006401499 0.005428523 PE(17:0_18:1)+Na_1 0.001037095 0.001372759 0.001306162 0.00115818 0.00195337 0.001151323 0.001492648 0.001188276 0.00109813 0.001181516 0.00117204 0.00118607 0.001131775 0.00077761 0.001114357 0.001550015 0.001377443 0.000908866 PE(17:0_18:1)+Na_2 0.001037095 0.001372759 0.001306162 0.00115818 0.00195337 0.001151323 0.001492648 0.001188276 0.00109813 0.001181516 0.00117204 0.00118607 0.001131775 0.00077761 0.001114357 0.001550015 0.001377443 0.000908866 TG(17:1_17:1_17:1)+NH4_4 0.002901768 0.001058447 0.001512251 0.003262997 0.005166496 0.001293344 0.003300015 0.004061316 0.003634414 0.001075555 0.00067915 0.000711779 0.001367906 0.001091352 0.001486692 0.00225874 0.002417117 0.002421547 TG(18:1_19:1_20:3)+NH4 0.032188834 0.042002634 0.035419805 0.030688111 0.037792825 0.032130523 0.021053615 0.021808723 0.019581438 0.014418786 0.028718815 0.020540557 0.020452992 0.020312202 0.023121395 0.027164368 0.023799255 0.018732536 TG(18:0_17:1_19:1)+NH4 0.472520389 0.170476129 0.451712751 0.45637474 0.566971218 0.468803891 0.06796036 0.064899749 0.048627191 0.166450638 0.221227085 0.050481414 0.082050224 0.291800406 0.107848925 0.089308339 0.112220719 0.083251502 DAP(O-4:0_O-4:0)+H_3 0.029148367 0.040080394 0.040153452 0.025542751 0.033668116 0.029846106 0.025763367 0.033286054 0.028688427 0.030758867 0.035179588 0.028580791 0.030819686 0.025318485 0.02147759 0.032189016 0.034712253 0.029965949 PFAA(22:1)+H_1 0.003812311 0.001471782 0.001985629 0.002569913 0.00341606 0.002241206 0.00511737 0.002374429 0.002211842 0.005004839 0.00372062 0.002513215 0.002656295 0.002433178 0.005298888 0.002955691 0.002687088 0.002736764 TG(18:0_18:2_18:3)+NH4 0.005538806 0.005478065 0.006170442 0.003975054 0.005762385 0.00570406 0.007709116 0.0042039 0.013083725 0.011319754 0.005358353 0.011504676 0.014335031 0.00190191 0.00427148 0.024700391 0.008236848 0.011027595 PE(18:2_17:0)+H 0.001951337 0.001241534 0.001585002 0.001818648 0.001810816 0.001275875 0.000633626 0.000872038 0.000943445 0.000218406 0.000918178 0.001211856 0.001327699 0.000398101 0.000972956 0.001014389 0.001348206 0.00040445 DG(2:0_18:1)+H_3 0.002388159 0.002196571 0.002162722 0.001731761 0.002141785 0.001766253 0.001905751 0.001368661 0.001926026 0.002053001 0.001630564 0.001604713 0.001645186 0.001597541 0.002845627 0.002154028 0.001721585 0.00127308 DG(17:1_17:1)+NH4_2 0.014536653 0.010852744 0.005100309 0.010083826 0.010447743 0.011057781 0.005754592 0.004790251 0.004336287 0.005108828 0.005103342 0.005358193 0.00484717 0.004459517 0.005721443 0.005743525 0.004344579 0.004326884 TG(15:1_15:1_17:1)+NH4_2 5.75E-06 0.001575137 0.000840562 0.105467737 0.001909252 0.00120203 0.000129559 0.11084526 0.085417182 0.000172932 0.000922096 0.072149827 0.000518526 0.162395702 0.001428009 0.000890274 0.002661824 0.000661062 TG(15:1_17:1_17:1)+Na 0.001170688 0.001998012 0.000469874 0.000476037 0.0024732 0.001405374 0.003049046 0.00231523 0.001612544 0.001498493 0.001789656 0.001955661 0.002051542 0.001529361 0.001812844 0.001183743 0.00216596 0.002569922 TG(14:1_15:1_15:1)+Na_1 0.000509997 0.000524526 0.000480023 0.000408762 0.000503747 0.000480615 0.000285368 0.000992323 0.000565181 0.0004145 0.000395391 0.00054333 0.00055955 0.00058236 0.000524183 0.000395262 0.000991383 0.000524268 TG(19:1_20:1_20:5)+NH4_2 0.002642057 0.003333086 0.002678639 0.00144697 0.005149058 0.003301444 1.06E-07 0.002400945 0.002913528 5.97E-09 0.002860926 7.85E-07 0.001022942 0.001633788 0.001656711 0.001854936 0.001894011 0.001861 PI(20:4_18:1)+NH4 0.000700948 0.000685104 0.000699447 0.000612966 0.00116757 0.000590157 0.000719368 0.001043633 0.000643346 0.000782445 0.001137944 0.000844549 0.000883978 0.000754604 0.000828037 0.001421285 0.001071521 0.000598782 TG(14:1_14:1_15:1)+NH4_1 0.023317187 0.024667642 0.012743619 0.019890666 0.020944913 0.021281557 0.010277999 0.020206412 0.011603716 0.012476058 0.017849578 0.011507698 0.012696597 0.015241894 0.015489397 0.015350721 0.017957036 0.012102573 TG(14:1_14:1_14:1)+Na 0.000816474 0.001243591 0.000487377 0.000383811 0.000802037 0.000745964 0.0001511 0.000443696 0.000304607 0.000367466 0.000455075 0.000318732 0.000304942 0.000318582 0.000406369 0.000406807 0.000366366 0.000365716 PE(4:0_20:1CHO)+H 0.001256881 0.000585716 0.001616807 0.001996795 0.00172261 0.001019165 0.002531023 0.001179181 0.002740271 0.001973122 0.002481892 0.001560141 0.003247317 0.002096237 0.001733459 0.002424415 0.002673976 0.001281404 PE(O-17:0_18:1)+H_1 0.00694235 0.010221581 0.00057781 0.004766759 0.002982915 0.003490839 1.40E-06 6.90E-06 4.81E-06 8.15E-06 0.000355038 0.000102073 7.85E-06 1.26E-05 0.000800337 8.68E-06 9.96E-06 6.59E-06 AcCa(12:0)+H 0.00128776 0.003816369 0.001939597 0.001739036 0.001919649 0.002094159 0.001297511 0.00162647 0.000350003 0.000837597 0.000818337 0.001436452 0.001199513 0.001018926 0.000651139 0.00142675 0.000727153 0.000754288 TG(19:1_20:1_20:4)+NH4 0.004244748 0.005306652 0.004824062 0.004119265 0.004897909 0.003292292 0.002176577 0.002447938 0.001716425 0.002476274 0.002488838 0.002354722 0.002621147 0.002339338 0.001905207 0.002597694 0.002202199 0.002410754 TG(14:1_15:1_15:1)+Na_2 0.001753293 0.002299712 0.001822409 0.001865913 0.002636905 0.001664325 0.004681916 0.005446224 0.00351375 0.003790356 0.004474433 0.003420281 0.003403633 0.005014831 0.003876292 0.004210478 0.005359894 0.004519278 TG(17:1_20:4_20:5)+NH4_3 0.005645383 0.010628073 0.010232726 0.003340049 0.006645813 0.056260582 0.005062593 0.007047996 0.005077193 0.005277198 0.000273647 0.004197757 0.001392066 0.001426975 0.004497566 0.025915784 0.002219387 0.001244197 TG(9:0_15:0_18:2)+NH4 0.005830339 0.007776852 0.003033418 0.005321509 0.00504072 0.004579344 9.48E-05 0.000103934 4.71E-05 1.05E-05 0.004644127 0.003374935 0.000380916 0.00991697 0.000495042 0.000778874 0.000494054 0.000376583 DAP(O-4:0_O-4:0)+H_4 0.034730973 0.055196733 0.035477107 0.028082932 0.038027867 0.029382912 0.027132304 0.034686514 0.027946884 0.03106636 0.035385056 0.0302363 0.031259538 0.02952878 0.030913375 0.035541268 0.041565509 0.02404885 PE(7:1CHO_19:1)+H 0.001491012 0.000382363 0.001317527 0.002325594 0.001841625 0.000926897 0.002754812 0.001269176 0.002395805 0.002315931 0.002351512 0.002456799 0.003310025 0.002943689 0.00191479 0.002377104 0.002634505 0.001210705 TG(18:1_18:1_19:1)+NH4_4 0.52346717 0.774107072 0.622656269 0.248350334 0.311514811 0.612720958 0.312049443 0.249736661 0.372771224 0.343591487 0.21441391 0.197627456 0.21760872 0.191872552 0.256040972 0.418260229 0.514802117 0.225958708 PFAA(20:2)+H 0.000604031 0.000731314 0.00058489 0.000617132 0.000369649 0.000345232 6.57E-05 0.00063523 0.000536947 0.000465801 0.000888294 0.000592549 0.000739189 0.000328402 0.000477878 0.000517825 0.000365952 0.000488306 PFAA(22:1)+H_2 0.001245051 0.000410911 0.002278466 0.000522188 0.001737728 0.000409621 0.002499924 0.002151543 0.001390782 0.00200116 0.001743781 0.001354674 0.001264476 0.00150382 0.003992697 0.001511686 0.001701917 0.002072084 AcCa(19:0)+H_2 0.00279706 0.002200922 0.001500404 0.001942898 0.002155977 0.002752013 0.000747552 0.001391933 0.000697389 0.000648018 0.001620944 0.001029152 0.000807753 0.00083396 0.001077387 0.001393727 0.000920786 0.000739959 PE(7:2CHO_17:0)+H 0.003300545 0.001661404 0.002830025 0.003154745 0.002847557 0.002625473 0.003279281 0.002646176 0.003402035 0.003251821 0.003597942 0.002623974 0.003732278 0.002991991 0.00312681 0.003478183 0.003499474 0.002429468 TG(15:0_17:1_18:1)+NH4_3 0.084664781 0.002191996 0.087732892 0.090851842 0.11384285 0.001465703 0.00036768 0.097816154 0.076656947 0.000839411 0.098447524 0.083158561 0.135153119 0.00152325 0.001818169 0.150330888 0.002545618 0.002324209 TG(18:1_19:1_20:2)+NH4 0.030133953 0.037548831 0.024927903 0.030110684 0.036936251 0.029792 0.020865783 0.02145667 0.017231203 0.015682904 0.020174778 0.01490768 0.023795115 0.015832042 0.002238436 0.030557329 0.023038182 0.022200019 TG(15:0_17:1_18:1)+Na 0.00154089 0.002134197 0.001412866 0.001467604 0.002222888 0.001438426 0.001137449 0.001551 0.001728317 0.000785315 0.001064562 0.001076727 0.001508815 0.000955118 0.001471763 0.001192923 0.001436159 0.001081126 DG(18:1_28:4)+H 0.000318987 0.000311711 0.000162691 0.000107296 0.000191185 0.000168581 0.000191981 9.12E-05 2.22E-10 1.99E-05 8.49E-05 0.000109625 8.70E-05 0.00012213 4.09E-05 7.08E-05 TG(14:1_14:1_15:1)+NH4_2 0.007393225 0.007417261 0.003643422 0.005261356 0.005967083 0.005480999 0.009875409 0.001266644 0.000667872 0.000494776 0.000628314 0.000504715 0.00221604 0.002285857 0.002098939 0.002094586 0.001364763 0.0009153 TG(17:0_16:1_19:2)+NH4 0.001264283 0.001741713 0.000823966 0.000774908 0.002668776 0.001255553 0.000392952 0.000811311 0.00062291 0.000697913 0.00086356 0.000782987 0.00070953 0.000427304 0.000910748 0.000585279 0.001027694 0.000689481 TG(17:1_17:1_18:1)+NH4_5 0.001264283 0.001388902 0.000823966 0.000774908 0.002668776 0.001255553 0.000392952 0.000811311 0.00062291 0.000697913 0.00086356 0.000782987 0.00070953 0.000427304 0.000910748 0.000585279 0.001027694 0.000689481 TG(15:0_17:1_17:1)+NH4_4 0.008148964 0.694171881 0.000447448 0.009796104 0.013008632 0.008934877 0.000185213 0.002085174 0.299882036 0.256191549 0.000521079 0.255706708 0.549543706 0.006604263 0.000775902 0.00485645 0.000610894 0.420113771 TG(O-7:0_10:1_17:1)+NH4 0.012718711 0.010990561 0.004405967 0.008902853 0.009797215 0.010312466 0.005228851 0.004821181 0.004563162 0.005055737 0.004716786 0.005340453 0.004798534 0.004252012 0.005651159 0.005702729 0.00453509 0.004382271 PE(20:5_16:0)+H_3 0.004810273 0.007648993 0.002562707 0.004912569 0.005911957 0.005002525 0.000354388 0.001835643 0.002148844 0.001009466 0.002297085 0.000945369 0.001829061 0.000514972 0.000679255 0.002514463 0.002257262 0.00142041 TG(18:0_18:1_18:3)+NH4 0.022520541 0.019065971 0.025225437 0.012506234 0.015097239 0.021709174 0.01703269 0.070908283 0.020569131 0.019566949 0.014715207 0.019915057 0.033262884 0.019501756 0.020763463 0.023995078 0.034323016 0.018787277 PE(P-8:0_10:0)+H 0.001244624 0.000494398 0.000937294 0.001148475 0.001288848 0.000839475 0.000614751 0.00059133 0.000537393 0.000579063 0.000870003 0.000661885 0.00062311 0.000579562 0.00065523 0.000759046 0.000712622 0.000438425 PE(O-15:1_20:0)+Na 0.001442638 0.002077112 0.001681574 0.001667901 0.002403771 0.001646842 0.001788207 0.001617716 0.001403337 0.001436627 0.001380373 0.001519747 0.001835947 0.001271389 0.001198101 0.001942632 0.001876249 0.001223146 DAP(O-4:0_O-4:0)+H_5 0.011659644 0.015818271 0.011804914 0.013304779 0.014368416 0.011890859 0.009762276 0.010574384 0.009364658 0.010876033 0.01056906 0.00931237 0.009577691 0.009159568 0.009165493 0.011701745 0.011614356 0.008519554 DAP(O-4:0_O-4:0)+H_6 0.011659644 0.015818271 0.011804914 0.013304779 0.014368416 0.011890859 0.009762276 0.010574384 0.009364658 0.010876033 0.01056906 0.00931237 0.009577691 0.009159568 0.009165493 0.011701745 0.011614356 0.008519554 PE(18:1_17:1)+H 0.010239243 0.012875644 0.003639429 0.011801844 0.012642079 0.01179315 9.78E-05 0.000168509 0.0001453 0.000210556 0.000230597 0.000124009 0.000109528 0.000173297 0.000289752 1.07E-06 0.00032927 0.000135145 TG(14:1_14:1_16:1)+Na 0.001015611 0.001375125 0.000861811 0.001181234 0.001400984 0.001051301 0.000199985 0.001574958 0.000740979 0.000514482 0.000873878 0.000535134 0.000723251 0.000752235 0.000760826 0.00070876 0.001112028 0.000603447 PE(18:0CHO_18:1)+H 0.002496985 0.000665199 0.001700816 0.00262933 0.002838638 0.001448148 0.001219308 0.001418546 0.001117974 0.001733245 0.002141029 0.001489477 0.00176014 0.001480906 0.001358799 0.001804126 0.001814197 0.00110867 TG(14:1_16:1_17:1)+Na 0.002571682 0.002941672 0.002657051 0.00189312 0.002675307 0.002002491 0.001430376 0.004233846 0.002546183 0.0034828 0.003246608 0.003287408 0.00339596 0.00265938 0.003443988 0.002927473 0.003128131 0.003051718 PE(O-17:0_18:1)+H_2 0.001833718 0.001963028 0.001165989 0.001152867 0.002793102 0.001687024 0.000194635 0.000722589 0.001057665 0.001357581 0.002178009 0.000529928 0.000682042 0.001430741 0.002111564 0.000767834 0.000781659 0.000609123 PC(26:1_9:0CHO)+H 0.001986895 0.000631092 0.001755304 0.001994149 0.001333014 0.001430742 0.00331454 0.001264214 0.002831978 0.002861705 0.002659855 0.002194986 0.003432245 0.00245276 0.002354051 0.002614247 0.002696687 0.001901201 PC(15:0_22:2CHO)+H 0.000773411 0.000694235 0.000935742 0.001096617 0.000621718 0.001176296 0.001513524 0.000319788 0.00055879 0.000890185 0.000892392 0.000669857 0.000880876 0.000752333 0.000608033 0.000943291 0.001113377 0.000700257 DG(18:1_18:2)+NH4_2 0.005710191 0.004890012 0.001348205 0.002252389 0.001731077 0.0044666 0.001442119 0.002268882 0.001321922 0.000399055 0.001255328 0.001649995 0.000819331 0.000777401 0.001048224 0.002661546 0.001179841 0.001548055 TG(8:0_8:0_10:0)+NH4 0.00028142 0.00035012 0.000266227 0.000133307 0.000164038 0.000162797 0.000411849 0.000379307 0.000370991 0.000268682 0.000368672 0.000415041 0.001045214 0.000306704 0.000233951 0.000337044 0.000195845 0.000197605 DG(16:0_18:1)+NH4_2 0.001502044 0.001363911 0.000618955 0.00107422 0.001264753 0.001398492 9.89E-05 0.000149494 0.00024066 0.000673004 0.00014958 9.03E-05 0.000358257 0.000167177 0.000312756 0.000199382 0.000222308 0.000212042 CerPE(d17:1_21:0)+H 0.004351175 0.004695456 0.003389184 0.004037724 0.005677993 0.00497315 0.001717515 0.001773076 0.00154509 0.001463361 0.001673348 0.001591485 0.001692781 0.001224096 0.001453132 0.002230765 0.001834939 0.001208176 TG(17:1_18:1_18:1)+H 0.000219037 0.000317982 0.000148517 0.000150419 0.000394232 0.000110431 0.000226262 8.08E-05 7.73E-05 0.000245648 0.00025214 3.32E-05 0.000129395 0.000282087 0.000110151 0.000111707 9.73E-05 0.000218743 DAP(O-12:0_O-4:0)+H_11 0.033331019 0.034057542 0.000431384 0.000784405 0.033217821 0.032539598 0.035067936 0.02933937 0.021815901 0.023327229 0.00317296 0.025404235 0.022932369 0.022369353 0.000816913 0.034342996 0.03213879 0.029989272 TG(17:1_17:1_18:2)+NH4_2 0.326406916 0.006429696 0.006802152 0.003482004 0.352635913 0.004722708 0.09598483 9.43E-05 0.001597081 0.00019399 0.16329189 0.000189571 0.003552024 0.002846847 0.004321648 0.003269181 0.000466996 0.218030736 TG(19:2_19:2_19:2)+NH4 0.000370094 0.000221672 0.000210721 0.000394624 0.000482268 0.000218869 2.59E-05 4.27E-05 0.000218977 3.52E-05 0.000264138 5.75E-05 0.000268106 7.68E-05 5.01E-05 8.68E-05 6.29E-05 6.94E-05 TG(15:1_17:1_17:1)+NH4_2 0.00222202 0.163010009 0.110417864 0.133475613 0.169672228 0.13516081 0.123287661 0.144070039 0.103231478 0.104107099 0.124333952 0.107779609 0.201789648 0.224884141 0.000557814 0.248750271 0.003327683 0.001482471 TG(18:1_18:1_20:5)+Na 3.79E-06 0.000677144 0.000264074 0.00048038 0.000654953 0.00042782 0.00045443 0.000400128 0.000422371 0.000445623 0.00054193 0.000514946 0.000645086 0.000528153 0.000390621 0.000390479 0.000532375 0.00026514 PC(18:1_20:5)+Na 0.040980393 0.041301055 0.05460615 0.030279103 0.040690937 0.027978493 0.023846969 0.043669265 0.032752982 0.030941634 0.043352387 0.029295644 0.037718132 0.038531957 0.017953835 0.046423686 0.04064184 0.020355012 TG(14:1_16:1_16:1)+NH4 0.068621894 0.08511334 0.046043667 0.071620732 0.076289672 0.064667198 0.081767765 0.017261746 0.012470434 0.009313965 0.017205494 0.011316594 0.024742488 0.023517094 0.027494226 0.027304857 0.018567904 0.023355576 TG(15:0_17:0_17:1)+NH4 0.000649281 0.000496744 0.000500012 0.000505991 0.000322908 0.000259028 0.000375479 0.000462027 0.014706607 0.00030327 0.000287273 0.012451179 0.000486313 0.000505053 0.00030302 0.000550238 0.000867831 0.027251614 PE(18:1_20:5)+H 0.00597189 0.306531809 0.207108983 0.223854988 0.284148672 0.005612243 0.000550634 0.00131773 0.061732894 0.057215433 0.07943217 0.052180602 0.003399683 0.002384923 0.136469604 0.00468992 0.003327889 0.108989666 TG(5:0_15:0_18:0)+NH4 0.002188467 0.001976568 0.000406245 0.001728109 0.001777886 0.001794727 0.000919913 0.000873521 0.000753615 0.000667846 0.000673291 0.000168125 0.000799466 0.000681015 0.000409584 0.000310572 0.001088305 0.000804945 LPE(18:1)+H_4 0.001193222 0.000499481 0.000880584 0.00109211 0.001377967 0.000882401 0.000591596 0.00053666 0.000531086 0.000581067 0.000835786 0.000696996 0.000611559 0.000540961 0.000676756 0.000748781 0.00074238 0.000438746 TG(15:0_17:1_17:1)+Na_2 0.002234087 0.002334458 0.002574373 0.002209323 0.003161139 0.002939676 0.003044552 0.002301054 0.002073809 0.00293136 0.002136488 0.002602892 0.002911811 0.002326226 0.002167358 0.002673596 0.003067894 0.001893118 TG(17:1_17:1_18:1)+NH4_6 0.000953021 0.002169927 0.002839857 0.001418973 0.002326787 0.00383121 0.001222416 0.002508886 0.002321815 0.002335257 0.002861801 0.002557147 0.002143033 0.001411536 0.002940559 0.001783541 0.003496685 0.001961587 DG(16:0_18:2)+NH4_2 0.005982289 0.004939439 0.002630542 0.004981381 0.004618941 0.00518299 0.002514702 0.002622939 0.002082551 0.000181183 0.002251758 0.002147722 0.001827356 0.001837064 0.002350203 0.001777902 0.001891499 0.002050965 DAP(O-12:0_O-4:0)+H_12 0.063228869 0.199380339 0.054765337 0.068099298 0.041052347 0.056873267 0.033366321 0.032034646 0.037333772 0.024843511 0.120829071 0.051750268 0.05671215 0.042510463 0.041430314 0.054613685 0.058603477 0.048712523 PE(20:5_16:0)+H_4 0.000549354 0.000743671 0.000545911 0.000445122 0.00011225 0.000163972 9.01E-05 0.000232487 0.000336923 0.001044683 0.00036673 0.000121378 0.000249084 0.000436663 0.00014803 0.000792703 0.000178244 0.000359788 PE(7:2CHO_18:0)+H 0.001640006 0.00032512 0.001920518 0.001624001 0.00136295 0.000902368 0.002829915 0.001194233 0.002429553 0.001790503 0.002370696 0.001754261 0.001939621 0.00265974 0.001525216 0.0030588 0.002076898 0.001153124 TG(14:1_17:1_18:1)+Na 0.002100878 0.002176393 0.002092693 0.001103075 0.002255381 0.000538864 0.001823114 0.003068023 0.002331493 0.00230299 0.002657391 0.002712928 0.002833419 0.002677392 0.002681056 0.002381989 0.002318011 0.00202867 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name LipidMapID LipidGroup Charge CalcMz BaseRt Class SubClass AdductIon Pubchem CID KEGG_ID REFMET_ID IonFormula MolStructure TG(5:0_18:2_20:5)+Na TG(5:0_18:2_20:5)+Na TG(43:7)+Na 1 745.5377615 16.4250328 TG triacyl M+Na - - - C46 H74 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PG(17:1_18:1)+NH4 PG(17:1_18:1)+NH4 PG(35:2)+NH4 1 778.5592635 10.14463988 PG diacyl M+NH4 RM0007600 C41 H81 N1 O10 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCC(CO)O PC(18:2_20:4)+Na_1 PC(18:2_20:4)+Na PC(38:6)+Na 1 828.5513785 8.895013836 PC diacyl M+Na RM0171068 C46 H80 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_18:2_20:5)+NH4 TG(5:0_18:2_20:5)+NH4 TG(43:7)+NH4 1 740.5823655 16.4250328 TG triacyl M+NH4 - - - C46 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_23:0)+H_1 Cer(d17:1_23:0)+H Cer(d40:1)+H 1 622.6132705 18.09556827 Cer acylsphingosines M+H 134733542 RM0041297 C40 H80 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCC)O TG(5:0_18:3_20:5)+NH4 TG(5:0_18:3_20:5)+NH4 TG(43:8)+NH4 1 738.5667155 15.47096742 TG triacyl M+NH4 - - - C46 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_20:4_20:5)+NH4_1 TG(5:0_20:4_20:5)+NH4 TG(45:9)+NH4 1 764.5823655 16.03255404 TG triacyl M+NH4 - - - C48 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(18:0_20:4)+Na PC(18:0_20:4)+Na PC(38:4)+Na 1 832.5826785 13.80499385 PC diacyl M+Na RM0134946 C46 H84 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(2:0_3:0_36:1)+H TG(2:0_3:0_36:1)+H TG(41:1)+H 1 707.6184165 17.233504 TG triacyl M+H - - - C44 H83 O6 CC(=O)OCC(COC(=O)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC DG(17:0_20:4)+NH4_1 DG(17:0_20:4)+NH4 DG(37:4)+NH4 1 648.5561505 16.47190092 DG diacyl M+NH4 RM0034812 C40 H74 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC Cer(d17:1_23:1)+H_1 Cer(d17:1_23:1)+H Cer(d40:2)+H 1 620.5976205 17.5835766 Cer acylsphingosines M+H RM0184876 C40 H78 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCC=CC)O PC(19:1_20:4)+Na_1 PC(19:1_20:4)+Na PC(39:5)+Na 1 844.5826785 13.15939724 PC diacyl M+Na RM0000618 C47 H84 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(18:3_20:5)+Na PC(18:3_20:5)+Na PC(38:8)+Na 1 824.5200785 7.050619814 PC diacyl M+Na RM0024946 C46 H76 N1 Na1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(20:2_20:5)+Na PC(20:2_20:5)+Na PC(40:7)+Na 1 854.5670285 9.914219766 PC diacyl M+Na RM0000885 C48 H82 N1 Na1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(21:0_20:5)+NH4 DG(21:0_20:5)+NH4 DG(41:5)+NH4 1 702.6031005 18.03519877 DG diacyl M+NH4 RM0033721 C44 H80 N1 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCC PC(O-23:6_19:4)+Na PC(O-23:6_19:4)+Na PC(O-42:10)+Na 1 862.5721135 13.73370149 PC alkyl-acyl M+Na - - - C50 H82 N1 Na1 O7 P1 CC=CC=CC=CC=CC=CC=CCCCCCCCCCCOC(COC(=O)CCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(19:1_18:2)+NH4_1 DG(19:1_18:2)+NH4 DG(37:3)+NH4 1 650.5718005 16.94658801 DG diacyl M+NH4 RM0035202 C40 H76 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC Cer(d17:1_23:1)+H_2 Cer(d17:1_23:1)+H Cer(d40:2)+H 1 620.5976205 17.78476413 Cer acylsphingosines M+H RM0184876 C40 H78 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCC=CC)O Cer(d17:1_22:1)+H_1 Cer(d17:1_22:1)+H Cer(d39:2)+H 1 606.5819705 16.98933737 Cer acylsphingosines M+H RM0122733 C39 H76 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC=CC)O PC(O-17:3_20:3)+H PC(O-17:3_20:3)+H PC(O-37:6)+H 1 778.5745185 11.65783197 PC alkyl-acyl M+H - - - C45 H81 N1 O7 P1 CC=CC=CC=CCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_18:1_20:4)+NH4_1 TG(5:0_18:1_20:4)+NH4 TG(43:5)+NH4 1 744.6136655 17.89933599 TG triacyl M+NH4 - - - C46 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC Cer(d17:0_21:0)+H Cer(d17:0_21:0)+H Cer(d38:0)+H 1 596.5976205 17.64090747 Cer acylsphinganines M+H 134741107 RM0124689 C38 H78 N1 O3 CCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCC)O TG(5:0_18:2_20:4)+NH4 TG(5:0_18:2_20:4)+NH4 TG(43:6)+NH4 1 742.5980155 17.04906623 TG triacyl M+NH4 - - - C46 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(5:0_15:0_18:2)+NH4 TG(5:0_15:0_18:2)+NH4 TG(38:2)+NH4 1 680.5823655 17.68383048 TG triacyl M+NH4 - - - C41 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC=CC=CC TG(5:0_18:1_20:5)+NH4 TG(5:0_18:1_20:5)+NH4 TG(43:6)+NH4 1 742.5980155 17.40691808 TG triacyl M+NH4 - - - C46 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_17:1_18:2)+NH4 TG(5:0_17:1_18:2)+NH4 TG(40:3)+NH4 1 706.5980155 18.09301571 TG triacyl M+NH4 - - - C43 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PC(20:4_20:4)+Na_1 PC(20:4_20:4)+Na PC(40:8)+Na 1 852.5513785 8.922701881 PC diacyl M+Na RM0136719 C48 H80 N1 Na1 O8 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_17:0_20:5)+NH4 TG(5:0_17:0_20:5)+NH4 TG(42:5)+NH4 1 730.5980155 17.75874309 TG triacyl M+NH4 - - - C45 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_17:1_18:1)+Na TG(5:0_17:1_18:1)+Na TG(40:2)+Na 1 713.5690615 18.82592615 TG triacyl M+Na - - - C43 H78 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(20:1CHO_20:5)+H_1 PC(20:1CHO_20:5)+H PC(40:6CHO)+H 1 848.5799985 6.506582377 PC aldehyde M+H - - - C48 H83 N1 O9 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_15:0_15:1)+NH4 TG(5:0_15:0_15:1)+NH4 TG(35:1)+NH4 1 640.5510655 17.09304136 TG triacyl M+NH4 - - - C38 H74 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC TG(5:0_17:1_17:2)+NH4 TG(5:0_17:1_17:2)+NH4 TG(39:3)+NH4 1 692.5823655 17.59403393 TG triacyl M+NH4 - - - C42 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCC=CC Cer(d17:1_23:0)+H_2 Cer(d17:1_23:0)+H Cer(d40:1)+H 1 622.6132705 18.28276107 Cer acylsphingosines M+H 134733542 RM0041297 C40 H80 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCC)O PC(18:2_18:3)+Na PC(18:2_18:3)+Na PC(36:5)+Na 1 802.5357285 8.273852298 PC diacyl M+Na RM0171045 C44 H78 N1 Na1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_20:5_20:5)+NH4 TG(5:0_20:5_20:5)+NH4 TG(45:10)+NH4 1 762.5667155 14.89056625 TG triacyl M+NH4 - - - C48 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_15:0_18:1)+Na TG(5:0_15:0_18:1)+Na TG(38:1)+Na 1 687.5534115 18.47351655 TG triacyl M+Na - - - C41 H76 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC Co(Q7)+NH4 Co(Q7)+NH4 Co(Q7)+NH4 1 676.5299355 16.25812683 Co Coenzyme Q M+NH4 5289540 RM0188132 C44 H70 N1 O4 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C DG(18:0_20:4)+NH4_1 DG(18:0_20:4)+NH4 DG(38:4)+NH4 1 662.5718005 17.10438385 DG diacyl M+NH4 RM0134343 C41 H76 N1 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(18:0_18:1)+Na PC(18:0_18:1)+Na PC(36:1)+Na 1 810.5983285 15.35270092 PC diacyl M+Na RM0171088 C44 H86 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C TG(24:0_19:1_18:2)+NH4 TG(24:0_19:1_18:2)+NH4 TG(61:3)+NH4 1 1000.926665 21.78513671 TG triacyl M+NH4 - - - C64 H122 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC TG(5:0_20:3_20:5)+NH4 TG(5:0_20:3_20:5)+NH4 TG(45:8)+NH4 1 766.5980155 16.72588665 TG triacyl M+NH4 - - - C48 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(5:0_20:5_20:5)+Na TG(5:0_20:5_20:5)+Na TG(45:10)+Na 1 767.5221115 14.89056625 TG triacyl M+Na - - - C48 H72 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_24:1)+H_1 Cer(d17:1_24:1)+H Cer(d41:2)+H 1 634.6132705 18.09870547 Cer acylsphingosines M+H RM0134168 C41 H80 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC=CC)O TG(5:0_20:3_20:4)+NH4 TG(5:0_20:3_20:4)+NH4 TG(45:7)+NH4 1 768.6136655 17.30676317 TG triacyl M+NH4 - - - C48 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(5:0_20:4_20:5)+NH4_2 TG(5:0_20:4_20:5)+NH4 TG(45:9)+NH4 1 764.5823655 15.74142243 TG triacyl M+NH4 - - - C48 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(5:0_17:1_20:5)+NH4 TG(5:0_17:1_20:5)+NH4 TG(42:6)+NH4 1 728.5823655 17.0561768 TG triacyl M+NH4 - - - C45 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(20:1COOH_13:0)+H PC(20:1COOH_13:0)+H PC(33:1COOH)+H 1 776.5436135 8.683603159 PC carboxylic M+H - - - C41 H79 N1 O10 P1 CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(2:0_17:1_18:2)+NH4 TG(2:0_17:1_18:2)+NH4 TG(37:3)+NH4 1 664.5510655 16.54559839 TG triacyl M+NH4 - - - C40 H74 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC Cer(t17:0_24:1)+H Cer(t17:0_24:1)+H Cer(t41:1)+H 1 652.6238355 18.28803512 Cer phytoceramides M+H RM0013477 C41 H82 N1 O4 CCCCCCCCCCCCCC(O)C(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC=CC)O Cer(d17:1_24:0)+H_1 Cer(d17:1_24:0)+H Cer(d41:1)+H 1 636.6289205 18.58395588 Cer acylsphingosines M+H 71581116 RM0030140 C41 H82 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O AEA(16:1)+H AEA(16:1)+H AEA(16:1)+H 1 298.2740555 3.18649077 AEA N-acyl ethanolamines M+H - - - C18 H36 N1 O2 OCCNC(=O)CCCCCCCCCCCCC=CC Cer(d17:1_21:0)+H Cer(d17:1_21:0)+H Cer(d38:1)+H 1 594.5819705 17.18605584 Cer acylsphingosines M+H 134727713 RM0029795 C38 H76 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCC)O PC(17:1_18:3)+Na_1 PC(17:1_18:3)+Na PC(35:4)+Na 1 790.5357285 9.118417185 PC diacyl M+Na RM0097695 C43 H78 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(15:1_20:5_20:5)+Na TG(15:1_20:5_20:5)+Na TG(55:11)+Na 1 905.6629615 19.42225764 TG triacyl M+Na RM0104019 C58 H90 Na1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:0_20:3)+Na PC(18:0_20:3)+Na PC(38:3)+Na 1 834.5983285 14.48374803 PC diacyl M+Na RM0170562 C46 H86 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(21:0_17:1_19:1)+NH4_1 TG(21:0_17:1_19:1)+NH4 TG(57:2)+NH4 1 946.8797155 21.80929754 TG triacyl M+NH4 - - - C60 H116 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCC DG(16:0_18:1)+NH4_1 DG(16:0_18:1)+NH4 DG(34:1)+NH4 1 612.5561505 17.03290385 DG diacyl M+NH4 RM0034278 C37 H74 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC Cer(d17:1_26:0)+H_1 Cer(d17:1_26:0)+H Cer(d43:1)+H 1 664.6602205 19.3885868 Cer acylsphingosines M+H 134777854 RM0030120 C43 H86 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)O DG(16:0_17:1)+NH4 DG(16:0_17:1)+NH4 DG(33:1)+NH4 1 598.5405005 16.62552913 DG diacyl M+NH4 RM0035100 C36 H72 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC=CC TG(5:0_17:1_20:4)+NH4 TG(5:0_17:1_20:4)+NH4 TG(42:5)+NH4 1 730.5980155 17.59559876 TG triacyl M+NH4 - - - C45 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(18:1_20:3)+Na PC(18:1_20:3)+Na PC(38:4)+Na 1 832.5826785 12.28800171 PC diacyl M+Na RM0171082 C46 H84 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(27:0_16:1_18:1)+NH4 TG(27:0_16:1_18:1)+NH4 TG(61:2)+NH4 1 1002.942315 21.77388425 TG triacyl M+NH4 RM0064941 C64 H124 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC DG(18:0_20:3)+NH4 DG(18:0_20:3)+NH4 DG(38:3)+NH4 1 664.5874505 17.61362445 DG diacyl M+NH4 RM0134357 C41 H78 N1 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(5:0_19:1_20:4)+NH4_1 TG(5:0_19:1_20:4)+NH4 TG(44:5)+NH4 1 758.6293155 18.76702914 TG triacyl M+NH4 - - - C47 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(20:3_20:3)+Na PC(20:3_20:3)+Na PC(40:6)+Na 1 856.5826785 10.85371438 PC diacyl M+Na RM0000942 C48 H84 N1 Na1 O8 P1 CC=CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_15:0_17:0)+NH4 TG(5:0_15:0_17:0)+NH4 TG(37:0)+NH4 1 670.5980155 18.78360698 TG triacyl M+NH4 - - - C40 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC TG(5:0_15:0_18:1)+NH4 TG(5:0_15:0_18:1)+NH4 TG(38:1)+NH4 1 682.5980155 18.47351655 TG triacyl M+NH4 - - - C41 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC TG(18:2_20:5_20:5)+Na TG(18:2_20:5_20:5)+Na TG(58:12)+Na 1 945.6942615 19.68638624 TG triacyl M+Na RM0069263 C61 H94 Na1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_17:0_17:1)+NH4 TG(5:0_17:0_17:1)+NH4 TG(39:1)+NH4 1 696.6136655 19.10062617 TG triacyl M+NH4 - - - C42 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC TG(21:0_17:1_19:1)+NH4_2 TG(21:0_17:1_19:1)+NH4 TG(57:2)+NH4 1 946.8797155 21.78129937 TG triacyl M+NH4 - - - C60 H116 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCC DG(18:1_19:1)+NH4_1 DG(18:1_19:1)+NH4 DG(37:2)+NH4 1 652.5874505 18.05113632 DG diacyl M+NH4 RM0163329 C40 H78 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC DG(17:0_18:1)+NH4_1 DG(17:0_18:1)+NH4 DG(35:1)+NH4 1 626.5718005 17.61931594 DG diacyl M+NH4 RM0034813 C38 H76 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(5:0_17:0_17:1)+Na TG(5:0_17:0_17:1)+Na TG(39:1)+Na 1 701.5690615 19.10062617 TG triacyl M+Na - - - C42 H78 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC DG(16:0_20:4)+NH4_1 DG(16:0_20:4)+NH4 DG(36:4)+NH4 1 634.5405005 15.64634573 DG diacyl M+NH4 RM0134345 C39 H72 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC Cer(d17:1_20:0)+H Cer(d17:1_20:0)+H Cer(d37:1)+H 1 580.5663205 16.52055779 Cer acylsphingosines M+H 134725797 RM0030446 C37 H74 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC)O AcCa(18:3)+H AcCa(18:3)+H AcCa(18:3)+H 1 422.3264855 1.867006707 AcCa Fatty acyl carnitines M+H RM0154067 C25 H44 N1 O4 CC=CC=CC=CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(20:5_20:5_20:5)+Na TG(20:5_20:5_20:5)+Na TG(60:15)+Na 1 967.6786115 19.01752546 TG triacyl M+Na RM0066249 C63 H92 Na1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_18:1_18:1)+Na TG(5:0_18:1_18:1)+Na TG(41:2)+Na 1 727.5847115 19.05132084 TG triacyl M+Na - - - C44 H80 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(5:0_17:1_18:2)+Na TG(5:0_17:1_18:2)+Na TG(40:3)+Na 1 711.5534115 18.09301571 TG triacyl M+Na - - - C43 H76 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PC(14:0_20:5)+Na PC(14:0_20:5)+Na PC(34:5)+Na 1 774.5044285 7.749317396 PC diacyl M+Na RM0171040 C42 H74 N1 Na1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(17:0_18:1)+Na_1 PC(17:0_18:1)+Na PC(35:1)+Na 1 796.5826785 13.98282918 PC diacyl M+Na RM0090135 C43 H84 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(20:4_18:0)+Na PC(20:4_18:0)+Na PC(38:4)+Na 1 832.5826785 13.15025437 PC diacyl M+Na RM0134946 C46 H84 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_17:1_18:1)+NH4_1 TG(5:0_17:1_18:1)+NH4 TG(40:2)+NH4 1 708.6136655 18.82592615 TG triacyl M+NH4 - - - C43 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(20:4_20:5)+Na_1 PC(20:4_20:5)+Na PC(40:9)+Na 1 850.5357285 7.306709228 PC diacyl M+Na RM0171159 C48 H78 N1 Na1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_20:4_20:4)+NH4 TG(5:0_20:4_20:4)+NH4 TG(45:8)+NH4 1 766.5980155 16.4446558 TG triacyl M+NH4 - - - C48 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(5:0_18:2_18:3)+NH4_1 TG(5:0_18:2_18:3)+NH4 TG(41:5)+NH4 1 716.5823655 16.85144491 TG triacyl M+NH4 - - - C44 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC Cer(d17:0_23:0)+H Cer(d17:0_23:0)+H Cer(d40:0)+H 1 624.6289205 18.64513021 Cer acylsphinganines M+H 134768082 RM0123274 C40 H82 N1 O3 CCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCC)O DG(15:0_17:1)+NH4 DG(15:0_17:1)+NH4 DG(32:1)+NH4 1 584.5248505 15.57106945 DG diacyl M+NH4 RM0035114 C35 H70 N1 O5 CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC=CC TG(27:0_17:1_19:1)+NH4 TG(27:0_17:1_19:1)+NH4 TG(63:2)+NH4 1 1030.973615 22.12747341 TG triacyl M+NH4 - - - C66 H128 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(5:0_18:2_18:2)+NH4 TG(5:0_18:2_18:2)+NH4 TG(41:4)+NH4 1 718.5980155 17.58655909 TG triacyl M+NH4 - - - C44 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC AcCa(18:2)+H AcCa(18:2)+H AcCa(18:2)+H 1 424.3421355 2.348593693 AcCa Fatty acyl carnitines M+H RM0154158 C25 H46 N1 O4 CC=CC=CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C DG(19:0_20:5)+NH4 DG(19:0_20:5)+NH4 DG(39:5)+NH4 1 674.5718005 16.90720423 DG diacyl M+NH4 RM0033693 C42 H76 N1 O5 CCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(20:3_20:4)+Na PC(20:3_20:4)+Na PC(40:7)+Na 1 854.5670285 9.356832024 PC diacyl M+Na RM0000550 C48 H82 N1 Na1 O8 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_18:1_18:2)+Na TG(5:0_18:1_18:2)+Na TG(41:3)+Na 1 725.5690615 18.37018834 TG triacyl M+Na RM0114547 C44 H78 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC Co(Q8)+NH4_1 Co(Q8)+NH4 Co(Q8)+NH4 1 744.5925355 17.79751496 Co Coenzyme Q M+NH4 5283546 C17569 RM0135424 C49 H78 N1 O4 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C Cer(d17:1_26:1)+H_1 Cer(d17:1_26:1)+H Cer(d43:2)+H 1 662.6445705 18.98701312 Cer acylsphingosines M+H RM0029994 C43 H84 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CC)O TG(5:0_16:1_18:1)+NH4 TG(5:0_16:1_18:1)+NH4 TG(39:2)+NH4 1 694.5980155 18.20563441 TG triacyl M+NH4 - - - C42 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(5:0_16:0_20:5)+NH4 TG(5:0_16:0_20:5)+NH4 TG(41:5)+NH4 1 716.5823655 17.39933694 TG triacyl M+NH4 - - - C44 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC DG(17:0_20:5)+NH4_1 DG(17:0_20:5)+NH4 DG(37:5)+NH4 1 646.5405005 15.07134706 DG diacyl M+NH4 RM0035198 C40 H72 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(15:1_20:5_20:5)+NH4 TG(15:1_20:5_20:5)+NH4 TG(55:11)+NH4 1 900.7075655 19.42225764 TG triacyl M+NH4 RM0104019 C58 H94 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_22:0)+H_1 Cer(d17:1_22:0)+H Cer(d39:1)+H 1 608.5976205 17.77955843 Cer acylsphingosines M+H 134752283 RM0029808 C39 H78 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC)O DG(22:0_18:2)+NH4 DG(22:0_18:2)+NH4 DG(40:2)+NH4 1 694.6344005 19.25458809 DG diacyl M+NH4 RM0035374 C43 H84 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC AcCa(17:1)+H AcCa(17:1)+H AcCa(17:1)+H 1 412.3421355 2.64719664 AcCa Fatty acyl carnitines M+H RM0154088 C24 H46 N1 O4 CC=CCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PC(20:5_19:3)+H PC(20:5_19:3)+H PC(39:8)+H 1 816.5537835 7.624007804 PC diacyl M+H - - - C47 H79 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(27:0_17:1_18:3)+NH4 TG(27:0_17:1_18:3)+NH4 TG(62:4)+NH4 1 1012.926665 21.70486003 TG triacyl M+NH4 RM0116983 C65 H122 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC DG(17:1_19:1)+NH4 DG(17:1_19:1)+NH4 DG(36:2)+NH4 1 638.5718005 17.49742174 DG diacyl M+NH4 - - - C39 H76 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC DG(16:1_17:1)+NH4 DG(16:1_17:1)+NH4 DG(33:2)+NH4 1 596.5248505 15.09446687 DG diacyl M+NH4 RM0035097 C36 H70 N1 O5 CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC=CC DG(15:1_18:2)+NH4 DG(15:1_18:2)+NH4 DG(33:3)+NH4 1 594.5092005 13.42677018 DG diacyl M+NH4 RM0035170 C36 H68 N1 O5 CC=CCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC TG(27:0_17:1_18:1)+NH4 TG(27:0_17:1_18:1)+NH4 TG(62:2)+NH4 1 1016.957965 21.96915652 TG triacyl M+NH4 RM0009420 C65 H126 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(14:0_20:5_20:5)+Na TG(14:0_20:5_20:5)+Na TG(54:10)+Na 1 893.6629615 19.58960366 TG triacyl M+Na RM0111184 C57 H90 Na1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC DG(19:1_20:2)+NH4 DG(19:1_20:2)+NH4 DG(39:3)+NH4 1 678.6031005 17.97860995 DG diacyl M+NH4 RM0174465 C42 H80 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC=CC PA(20:5_18:1)+NH4 PA(20:5_18:1)+NH4 PA(38:6)+NH4 1 738.5068335 26.46226998 PA diacyl M+NH4 RM0162768 C41 H73 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)O PC(24:2_12:1COOH)+H PC(24:2_12:1COOH)+H PC(36:3COOH)+H 1 814.5592635 9.740977926 PC carboxylic M+H - - - C44 H81 N1 O10 P1 CC=CC=CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C DG(15:0_17:0)+NH4 DG(15:0_17:0)+NH4 DG(32:0)+NH4 1 586.5405005 16.52189181 DG diacyl M+NH4 RM0034342 C35 H72 N1 O5 CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC DG(18:1_19:1)+NH4_2 DG(18:1_19:1)+NH4 DG(37:2)+NH4 1 652.5874505 17.82365291 DG diacyl M+NH4 RM0163329 C40 H78 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(20:5_20:5_20:5)+NH4 TG(20:5_20:5_20:5)+NH4 TG(60:15)+NH4 1 962.7232155 19.01752546 TG triacyl M+NH4 RM0066249 C63 H96 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(20:4_20:5_20:5)+NH4_1 TG(20:4_20:5_20:5)+NH4 TG(60:14)+NH4 1 964.7388655 19.36525197 TG triacyl M+NH4 RM0113857 C63 H98 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(5:0_17:1_18:3)+NH4 TG(5:0_17:1_18:3)+NH4 TG(40:4)+NH4 1 704.5823655 17.4450916 TG triacyl M+NH4 - - - C43 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC=CC TG(O-14:0_18:1_3:0)+NH4 TG(O-14:0_18:1_3:0)+NH4 TG(O-35:1)+NH4 1 626.5718005 17.63763804 TG alkyl-acyl M+NH4 - - - C38 H76 N1 O5 CCCCCCCCCCCCCCOCC(COC(=O)CC)OC(=O)CCCCCCCCCCCCCCC=CC Hex1Cer(d17:1_22:0)+H Hex1Cer(d17:1_22:0)+H Hex1Cer(d39:1)+H 1 770.6504455 16.50660066 Hex1Cer Ceramide monosaccharides M+H RM0044755 C45 H88 N1 O8 CCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCC)O TG(22:0_18:1_19:1)+NH4_1 TG(22:0_18:1_19:1)+NH4 TG(59:2)+NH4 1 974.9110155 21.78242444 TG triacyl M+NH4 - - - C62 H120 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC DG(18:1_18:2)+NH4_1 DG(18:1_18:2)+NH4 DG(36:3)+NH4 1 636.5561505 15.98040935 DG diacyl M+NH4 RM0034254 C39 H74 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC Cer(d17:1_24:0)+H_2 Cer(d17:1_24:0)+H Cer(d41:1)+H 1 636.6289205 18.75716308 Cer acylsphingosines M+H 71581116 RM0030140 C41 H82 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O PC(19:1_20:3)+Na PC(19:1_20:3)+Na PC(39:4)+Na 1 846.5983285 13.73609064 PC diacyl M+Na RM0181476 C47 H86 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(18:1_18:1)+NH4_1 DG(18:1_18:1)+NH4 DG(36:2)+NH4 1 638.5718005 17.01584204 DG diacyl M+NH4 RM0033995 C39 H76 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC PC(18:1_20:4)+Na_1 PC(18:1_20:4)+Na PC(38:5)+Na 1 830.5670285 10.43153208 PC diacyl M+Na RM0134948 C46 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C Cer(d17:1_22:1)+H_2 Cer(d17:1_22:1)+H Cer(d39:2)+H 1 606.5819705 17.21432825 Cer acylsphingosines M+H RM0122733 C39 H76 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC=CC)O Cer(d17:1_24:1)+H_2 Cer(d17:1_24:1)+H Cer(d41:2)+H 1 634.6132705 18.28678237 Cer acylsphingosines M+H RM0134168 C41 H80 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC=CC)O TG(2:0_15:0_17:1)+NH4 TG(2:0_15:0_17:1)+NH4 TG(34:1)+NH4 1 626.5354155 16.62962493 TG triacyl M+NH4 - - - C37 H72 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:2_20:5_20:5)+NH4 TG(18:2_20:5_20:5)+NH4 TG(58:12)+NH4 1 940.7388655 19.68638624 TG triacyl M+NH4 RM0069263 C61 H98 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_26:0)+H_2 Cer(d17:1_26:0)+H Cer(d43:1)+H 1 664.6602205 19.53404348 Cer acylsphingosines M+H 134777854 RM0030120 C43 H86 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)O TG(27:0_18:1_19:1)+NH4 TG(27:0_18:1_19:1)+NH4 TG(64:2)+NH4 1 1044.989265 22.15513654 TG triacyl M+NH4 - - - C67 H130 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC Co(Q8)+NH4_2 Co(Q8)+NH4 Co(Q8)+NH4 1 744.5925355 18.15675364 Co Coenzyme Q M+NH4 5283546 C17569 RM0135424 C49 H78 N1 O4 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C LPC(18:2)+Na LPC(18:2)+Na LPC(18:2)+Na 1 542.3217135 2.508747524 LPC monoacyl M+Na RM0048598 C26 H50 N1 Na1 O7 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[N+](C)(C)C DG(17:1_18:1)+NH4_1 DG(17:1_18:1)+NH4 DG(35:2)+NH4 1 624.5561505 16.74969902 DG diacyl M+NH4 RM0035172 C38 H74 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC DG(19:1_18:3)+NH4_1 DG(19:1_18:3)+NH4 DG(37:4)+NH4 1 648.5561505 16.17935236 DG diacyl M+NH4 RM0174450 C40 H74 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(27:0_18:1_20:2)+NH4 TG(27:0_18:1_20:2)+NH4 TG(65:3)+NH4 1 1056.989265 22.00638913 TG triacyl M+NH4 RM0088480 C68 H130 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(5:0_16:1_18:2)+NH4 TG(5:0_16:1_18:2)+NH4 TG(39:3)+NH4 1 692.5823655 17.38085004 TG triacyl M+NH4 - - - C42 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC TG(5:0_15:0_15:0)+NH4 TG(5:0_15:0_15:0)+NH4 TG(35:0)+NH4 1 642.5667155 17.78946623 TG triacyl M+NH4 - - - C38 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC PC(27:5_11:0COOH)+H PC(27:5_11:0COOH)+H PC(38:5COOH)+H 1 838.5592635 6.123919176 PC carboxylic M+H - - - C46 H81 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C AEA(15:1)+H_1 AEA(15:1)+H AEA(15:1)+H 1 284.2584055 2.728350696 AEA N-acyl ethanolamines M+H - - - C17 H34 N1 O2 OCCNC(=O)CCCCCCCCCCCC=CC TG(5:0_18:1_18:3)+NH4 TG(5:0_18:1_18:3)+NH4 TG(41:4)+NH4 1 718.5980155 17.75614162 TG triacyl M+NH4 - - - C44 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(18:1_18:1)+H DG(18:1_18:1)+H DG(36:2)+H 1 621.5452515 17.01584204 DG diacyl M+H RM0033995 C39 H73 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(O-7:0_11:1_18:1)+H TG(O-7:0_11:1_18:1)+H TG(O-36:2)+H 1 621.5452515 17.00548777 TG alkyl-acyl M+H - - - C39 H73 O5 CCCCCCCOCC(COC(=O)CCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(19:1_20:4)+NH4_1 DG(19:1_20:4)+NH4 DG(39:5)+NH4 1 674.5718005 16.69112936 DG diacyl M+NH4 - - - C42 H76 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(2:0_18:1_18:2)+NH4 TG(2:0_18:1_18:2)+NH4 TG(38:3)+NH4 1 678.5667155 16.95041694 TG triacyl M+NH4 RM0061662 C41 H76 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC BisMePE(18:1_18:2)+H BisMePE(18:1_18:2)+H BisMePE(36:3)+H 1 770.5694335 11.76818522 BisMePE diacyl M+H - - - C43 H81 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(OC)OCCNC TG(18:1_18:1_18:1)+NH4_1 TG(18:1_18:1_18:1)+NH4 TG(54:3)+NH4 1 902.8171155 26.19442153 TG triacyl M+NH4 RM0134295 C57 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(17:0_22:0_17:1)+NH4 TG(17:0_22:0_17:1)+NH4 TG(56:1)+NH4 1 934.8797155 21.68558039 TG triacyl M+NH4 RM0065177 C59 H116 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC DG(18:0_18:1)+NH4 DG(18:0_18:1)+NH4 DG(36:1)+NH4 1 640.5874505 18.15207704 DG diacyl M+NH4 RM0035650 C39 H78 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC DG(17:0_18:2)+NH4_1 DG(17:0_18:2)+NH4 DG(35:2)+NH4 1 624.5561505 16.60254796 DG diacyl M+NH4 RM0035657 C38 H74 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC DG(17:0_18:2)+NH4_2 DG(17:0_18:2)+NH4 DG(35:2)+NH4 1 624.5561505 16.62191668 DG diacyl M+NH4 RM0035657 C38 H74 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC TG(15:0_18:0CHO_18:2)+NH4 TG(15:0_18:0CHO_18:2)+NH4 TG(51:2CHO)+NH4 1 876.7650805 18.97254039 TG aldehyde M+NH4 - - - C54 H102 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) Cer(d17:0_24:0)+H_1 Cer(d17:0_24:0)+H Cer(d41:0)+H 1 638.6445705 18.9095723 Cer acylsphinganines M+H 134731836 RM0122384 C41 H84 N1 O3 CCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O TG(5:0_19:1_20:4)+NH4_2 TG(5:0_19:1_20:4)+NH4 TG(44:5)+NH4 1 758.6293155 18.56822778 TG triacyl M+NH4 - - - C47 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC Co(Q8)+H Co(Q8)+H Co(Q8)+H 1 727.5659865 18.15675364 Co Coenzyme Q M+H 5283546 C17569 RM0135424 C49 H75 O4 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C TG(22:0_18:1_19:1)+Na TG(22:0_18:1_19:1)+Na TG(59:2)+Na 1 979.8664115 21.78242444 TG triacyl M+Na - - - C62 H116 Na1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC PC(18:1_20:4)+Na_2 PC(18:1_20:4)+Na PC(38:5)+Na 1 830.5670285 10.98663525 PC diacyl M+Na RM0134948 C46 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_15:0_17:1)+NH4_1 TG(5:0_15:0_17:1)+NH4 TG(37:1)+NH4 1 668.5823655 18.20054483 TG triacyl M+NH4 - - - C40 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(13:1_20:5_20:5)+NH4 TG(13:1_20:5_20:5)+NH4 TG(53:11)+NH4 1 872.6762655 18.71498597 TG triacyl M+NH4 - - - C56 H90 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:1_20:2)+Na PC(18:1_20:2)+Na PC(38:3)+Na 1 834.5983285 13.6657303 PC diacyl M+Na RM0000033 C46 H86 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(14:0_15:1_17:1)+NH4 TG(14:0_15:1_17:1)+NH4 TG(46:2)+NH4 1 792.7075655 20.52257019 TG triacyl M+NH4 RM0063287 C49 H94 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(5:0_17:0_18:1)+NH4_1 TG(5:0_17:0_18:1)+NH4 TG(40:1)+NH4 1 710.6293155 19.33203161 TG triacyl M+NH4 - - - C43 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PC(19:1_19:1)+Na_1 PC(19:1_19:1)+Na PC(38:2)+Na 1 836.6139785 15.09569705 PC diacyl M+Na RM0001025 C46 H88 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(17:0_18:1)+Na_2 PC(17:0_18:1)+Na PC(35:1)+Na 1 796.5826785 14.36779677 PC diacyl M+Na RM0090135 C43 H84 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(18:0_17:1)+NH4 DG(18:0_17:1)+NH4 DG(35:1)+NH4 1 626.5718005 17.85503348 DG diacyl M+NH4 RM0034409 C38 H76 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC AcCa(20:3)+H AcCa(20:3)+H AcCa(20:3)+H 1 450.3577855 2.694519593 AcCa Fatty acyl carnitines M+H RM0154160 C27 H48 N1 O4 CC=CC=CC=CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C DG(16:0_18:2)+NH4_1 DG(16:0_18:2)+NH4 DG(34:2)+NH4 1 610.5405005 15.83555673 DG diacyl M+NH4 RM0134351 C37 H72 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC DG(22:0_20:5)+NH4 DG(22:0_20:5)+NH4 DG(42:5)+NH4 1 716.6187505 18.50275096 DG diacyl M+NH4 RM0035559 C45 H82 N1 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC PC(20:3_20:5)+Na PC(20:3_20:5)+Na PC(40:8)+Na 1 852.5513785 8.499522482 PC diacyl M+Na RM0000188 C48 H80 N1 Na1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(18:1_20:4)+NH4_1 DG(18:1_20:4)+NH4 DG(38:5)+NH4 1 660.5561505 15.68442367 DG diacyl M+NH4 RM0034180 C41 H74 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(26:0_17:1_18:1)+Na TG(26:0_17:1_18:1)+Na TG(61:2)+Na 1 1007.897711 21.94226353 TG triacyl M+Na RM0061507 C64 H120 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC TG(21:0_17:1_19:1)+NH4_3 TG(21:0_17:1_19:1)+NH4 TG(57:2)+NH4 1 946.8797155 22.10728646 TG triacyl M+NH4 - - - C60 H116 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCC AcCa(18:1)+H_1 AcCa(18:1)+H AcCa(18:1)+H 1 426.3577855 3.043970669 AcCa Fatty acyl carnitines M+H RM0153915 C25 H48 N1 O4 CC=CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(5:0_17:1_18:1)+NH4_2 TG(5:0_17:1_18:1)+NH4 TG(40:2)+NH4 1 708.6136655 18.68017326 TG triacyl M+NH4 - - - C43 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(16:0_18:0_18:1)+NH4 TG(16:0_18:0_18:1)+NH4 TG(52:1)+NH4 1 878.8171155 21.35784362 TG triacyl M+NH4 RM0003461 C55 H108 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC DG(17:0_20:5)+NH4_2 DG(17:0_20:5)+NH4 DG(37:5)+NH4 1 646.5405005 15.38920843 DG diacyl M+NH4 RM0035198 C40 H72 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_26:1)+H_2 Cer(d17:1_26:1)+H Cer(d43:2)+H 1 662.6445705 19.14371772 Cer acylsphingosines M+H RM0029994 C43 H84 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CC)O TG(27:0_18:1_20:1)+NH4 TG(27:0_18:1_20:1)+NH4 TG(65:2)+NH4 1 1059.004915 22.12527278 TG triacyl M+NH4 RM0070533 C68 H132 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(20:3_20:5_20:5)+Na TG(20:3_20:5_20:5)+Na TG(60:13)+Na 1 971.7099115 19.79021776 TG triacyl M+Na RM0069641 C63 H96 Na1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(5:0_15:0_20:5)+NH4_1 TG(5:0_15:0_20:5)+NH4 TG(40:5)+NH4 1 702.5667155 16.50268223 TG triacyl M+NH4 - - - C43 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_15:0_20:5)+NH4_2 TG(5:0_15:0_20:5)+NH4 TG(40:5)+NH4 1 702.5667155 16.56446419 TG triacyl M+NH4 - - - C43 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(17:2_20:5)+Na PC(17:2_20:5)+Na PC(37:7)+Na 1 812.5200785 7.206135019 PC diacyl M+Na RM0171030 C45 H76 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(22:0_19:1_18:2)+NH4 TG(22:0_19:1_18:2)+NH4 TG(59:3)+NH4 1 972.8953655 21.62708484 TG triacyl M+NH4 RM0176777 C62 H118 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(17:1_17:1_17:1CHO)+NH4 TG(17:1_17:1_17:1CHO)+NH4 TG(51:3CHO)+NH4 1 874.7494305 19.02552169 TG aldehyde M+NH4 - - - C54 H100 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC(=O) PC(21:1COOH_17:2)+H PC(21:1COOH_17:2)+H PC(38:3COOH)+H 1 842.5905635 6.928083921 PC carboxylic M+H - - - C46 H85 N1 O10 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_16:0_18:1CHO)+NH4 TG(15:0_16:0_18:1CHO)+NH4 TG(49:1CHO)+NH4 1 850.7494305 19.58271821 TG aldehyde M+NH4 - - - C52 H100 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) TG(5:0_18:1_20:3)+NH4 TG(5:0_18:1_20:3)+NH4 TG(43:4)+NH4 1 746.6293155 18.56358665 TG triacyl M+NH4 - - - C46 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC Cer(d17:0_26:0)+H Cer(d17:0_26:0)+H Cer(d43:0)+H 1 666.6758705 19.79723213 Cer acylsphinganines M+H 134742037 RM0121139 C43 H88 N1 O3 CCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)O TG(20:4_20:5_20:5)+Na TG(20:4_20:5_20:5)+Na TG(60:14)+Na 1 969.6942615 19.36525197 TG triacyl M+Na RM0113857 C63 H94 Na1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(5:0_16:0_17:0)+NH4 TG(5:0_16:0_17:0)+NH4 TG(38:0)+NH4 1 684.6136655 19.35127964 TG triacyl M+NH4 - - - C41 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC TG(26:0_19:1_20:3)+NH4 TG(26:0_19:1_20:3)+NH4 TG(65:4)+NH4 1 1054.973615 21.86212898 TG triacyl M+NH4 - - - C68 H128 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC TG(12:0_14:0_17:1)+NH4_1 TG(12:0_14:0_17:1)+NH4 TG(43:1)+NH4 1 752.6762655 20.3057591 TG triacyl M+NH4 RM0108660 C46 H90 N1 O6 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(16:0_17:0_22:0)+NH4 TG(16:0_17:0_22:0)+NH4 TG(55:0)+NH4 1 922.8797155 21.74320919 TG triacyl M+NH4 RM0061494 C58 H116 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC AEA(16:2)+H AEA(16:2)+H AEA(16:2)+H 1 296.2584055 2.488864223 AEA N-acyl ethanolamines M+H - - - C18 H34 N1 O2 OCCNC(=O)CCCCCCCCCCC=CC=CC BisMePE(17:1_18:2)+H BisMePE(17:1_18:2)+H BisMePE(35:3)+H 1 756.5537835 11.00842144 BisMePE diacyl M+H - - - C42 H79 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(OC)OCCNC PC(20:1_20:5)+Na PC(20:1_20:5)+Na PC(40:6)+Na 1 856.5826785 11.78329817 PC diacyl M+Na RM0000886 C48 H84 N1 Na1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(18:1_18:1)+Na_1 PC(18:1_18:1)+Na PC(36:2)+Na 1 808.5826785 13.08838838 PC diacyl M+Na RM0090053 C44 H84 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_18:1_18:2)+NH4_1 TG(5:0_18:1_18:2)+NH4 TG(41:3)+NH4 1 720.6136655 18.37018834 TG triacyl M+NH4 RM0114547 C44 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(17:1_18:3)+NH4_1 DG(17:1_18:3)+NH4 DG(35:4)+NH4 1 620.5248505 14.37159489 DG diacyl M+NH4 RM0035641 C38 H70 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC=CC=CC=CC TG(18:1_18:1CHO_18:2)+NH4 TG(18:1_18:1CHO_18:2)+NH4 TG(54:4CHO)+NH4 1 914.7807305 19.48958621 TG aldehyde M+NH4 - - - C57 H104 N1 O7 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) TG(20:4_20:4_20:5)+NH4 TG(20:4_20:4_20:5)+NH4 TG(60:13)+NH4 1 966.7545155 19.6642626 TG triacyl M+NH4 RM0018667 C63 H100 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(5:0_16:0_17:1)+NH4 TG(5:0_16:0_17:1)+NH4 TG(38:1)+NH4 1 682.5980155 18.83459277 TG triacyl M+NH4 - - - C41 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:1_18:2_20:5)+NH4_1 TG(17:1_18:2_20:5)+NH4 TG(55:8)+NH4 1 906.7545155 20.36503627 TG triacyl M+NH4 RM0115211 C58 H100 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(17:0_27:0_17:1)+NH4 TG(17:0_27:0_17:1)+NH4 TG(61:1)+NH4 1 1004.957965 22.05707917 TG triacyl M+NH4 RM0114934 C64 H126 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC BisMePE(16:0_18:2)+H BisMePE(16:0_18:2)+H BisMePE(34:2)+H 1 744.5537835 11.71703082 BisMePE diacyl M+H - - - C41 H79 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(OC)OCCNC DG(18:0_20:5)+NH4 DG(18:0_20:5)+NH4 DG(38:5)+NH4 1 660.5561505 16.21925002 DG diacyl M+NH4 RM0035544 C41 H74 N1 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(14:1_20:5_20:5)+NH4 TG(14:1_20:5_20:5)+NH4 TG(54:11)+NH4 1 886.6919155 18.95922445 TG triacyl M+NH4 RM0111183 C57 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_19:1_20:5)+NH4 TG(5:0_19:1_20:5)+NH4 TG(44:6)+NH4 1 756.6136655 18.13994996 TG triacyl M+NH4 - - - C47 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_18:0_18:1)+NH4_1 TG(5:0_18:0_18:1)+NH4 TG(41:1)+NH4 1 724.6449655 19.80302044 TG triacyl M+NH4 RM0177822 C44 H86 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC PE(20:3_20:5)+H PE(20:3_20:5)+H PE(40:8)+H 1 788.5224835 9.074125099 PE diacyl M+H RM0134792 C45 H75 N1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PC(18:1_20:0CHO)+H_1 PC(18:1_20:0CHO)+H PC(38:1CHO)+H 1 830.6269485 10.30737627 PC aldehyde M+H - - - C46 H89 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(29:0_18:1_19:1)+NH4 TG(29:0_18:1_19:1)+NH4 TG(66:2)+NH4 1 1073.020565 22.35229679 TG triacyl M+NH4 - - - C69 H134 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC PE(P-18:0_20:2)+H PE(P-18:0_20:2)+H PE(P-38:2)+H 1 756.5901685 16.78643132 PE alkenyl-acyl M+H RM0055319 C43 H83 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(5:0_19:0_18:1)+NH4 TG(5:0_19:0_18:1)+NH4 TG(42:1)+NH4 1 738.6606155 19.33149943 TG triacyl M+NH4 - - - C45 H88 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCC PC(18:3_16:0)+Na PC(18:3_16:0)+Na PC(34:3)+Na 1 778.5357285 9.639462168 PC diacyl M+Na RM0000422 C42 H78 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:2_23:0)+H PE(18:2_23:0)+H PE(41:2)+H 1 814.6320335 17.97721641 PE diacyl M+H RM0102657 C46 H89 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN Cer(d17:1_22:1)+H_3 Cer(d17:1_22:1)+H Cer(d39:2)+H 1 606.5819705 16.70734469 Cer acylsphingosines M+H RM0122733 C39 H76 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC=CC)O DG(20:0_20:5)+NH4 DG(20:0_20:5)+NH4 DG(40:5)+NH4 1 688.5874505 17.50691754 DG diacyl M+NH4 RM0034130 C43 H78 N1 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCC PC(18:4_20:2CHO)+H PC(18:4_20:2CHO)+H PC(38:6CHO)+H 1 820.5486985 5.832263042 PC aldehyde M+H - - - C46 H79 N1 O9 P1 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PC(20:1CHO_20:5)+H_2 PC(20:1CHO_20:5)+H PC(40:6CHO)+H 1 848.5799985 6.692408256 PC aldehyde M+H - - - C48 H83 N1 O9 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C AcCa(18:4)+H AcCa(18:4)+H AcCa(18:4)+H 1 420.3108355 1.420306294 AcCa Fatty acyl carnitines M+H RM0174076 C25 H42 N1 O4 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(15:0_20:5_20:5)+NH4 TG(15:0_20:5_20:5)+NH4 TG(55:10)+NH4 1 902.7232155 19.77562558 TG triacyl M+NH4 RM0028077 C58 H96 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_17:1_17:1)+NH4 TG(5:0_17:1_17:1)+NH4 TG(39:2)+NH4 1 694.5980155 18.57570137 TG triacyl M+NH4 - - - C42 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC DG(18:0_20:5)+H DG(18:0_20:5)+H DG(38:5)+H 1 643.5296015 16.21925002 DG diacyl M+H RM0035544 C41 H71 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC DG(15:0_20:4)+NH4 DG(15:0_20:4)+NH4 DG(35:4)+NH4 1 620.5248505 13.76949747 DG diacyl M+NH4 RM0033644 C38 H70 N1 O5 CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(26:0_17:1_18:1)+NH4 TG(26:0_17:1_18:1)+NH4 TG(61:2)+NH4 1 1002.942315 21.94226353 TG triacyl M+NH4 RM0061507 C64 H124 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC TG(15:0_17:1_17:1)+NH4_1 TG(15:0_17:1_17:1)+NH4 TG(49:2)+NH4 1 834.7545155 20.00220844 TG triacyl M+NH4 RM0016609 C52 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC DG(15:0_18:2)+NH4 DG(15:0_18:2)+NH4 DG(33:2)+NH4 1 596.5248505 14.72478226 DG diacyl M+NH4 RM0171376 C36 H70 N1 O5 CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC TG(15:0_20:5_20:5)+Na TG(15:0_20:5_20:5)+Na TG(55:10)+Na 1 907.6786115 19.77562558 TG triacyl M+Na RM0028077 C58 H92 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Co(Q9)+NH4_1 Co(Q9)+NH4 Co(Q9)+NH4 1 812.6551355 19.44571103 Co Coenzyme Q M+NH4 5280473 C01967 RM0135423 C54 H86 N1 O4 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C PC(16:0_17:1)+Na PC(16:0_17:1)+Na PC(33:1)+Na 1 768.5513785 11.85157917 PC diacyl M+Na RM0134943 C41 H80 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(O-19:1_20:3)+H PE(O-19:1_20:3)+H PE(O-39:4)+H 1 768.5901685 16.32013918 PE alkyl-acyl M+H - - - C44 H83 N1 O7 P1 CC=CCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(11:1_17:1_20:5)+NH4 TG(11:1_17:1_20:5)+NH4 TG(48:7)+NH4 1 810.6606155 19.16272293 TG triacyl M+NH4 - - - C51 H88 N1 O6 CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:4_20:5)+Na PC(18:4_20:5)+Na PC(38:9)+Na 1 822.5044285 6.086982809 PC diacyl M+Na RM0011025 C46 H74 N1 Na1 O8 P1 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(18:3_20:5_20:5)+Na TG(18:3_20:5_20:5)+Na TG(58:13)+Na 1 943.6786115 19.28178331 TG triacyl M+Na RM0022194 C61 H92 Na1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:0_24:0)+H_2 Cer(d17:0_24:0)+H Cer(d41:0)+H 1 638.6445705 19.07126204 Cer acylsphinganines M+H 134731836 RM0122384 C41 H84 N1 O3 CCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O TG(17:1_18:1_20:6)+NH4 TG(17:1_18:1_20:6)+NH4 TG(55:8)+NH4 1 906.7545155 19.94341077 TG triacyl M+NH4 - - - C58 H100 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CC=CC=CC=CC=CC=CC PE(P-18:0_20:4)+H_1 PE(P-18:0_20:4)+H PE(P-38:4)+H 1 752.5588685 15.1760881 PE alkenyl-acyl M+H RM0017454 C43 H79 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(25:2_13:3COOH)+H PC(25:2_13:3COOH)+H PC(38:5COOH)+H 1 838.5592635 5.858096527 PC carboxylic M+H - - - C46 H81 N1 O10 P1 CC=CC=CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C Hex1Cer(d18:2_24:0)+H_1 Hex1Cer(d18:2_24:0)+H Hex1Cer(d42:2)+H 1 810.6817455 17.71101408 Hex1Cer Ceramide monosaccharides M+H RM0047158 C48 H92 N1 O8 CCCCCCCCCCCC=CC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O TG(13:1_17:1_20:5)+NH4 TG(13:1_17:1_20:5)+NH4 TG(50:7)+NH4 1 838.6919155 19.79971319 TG triacyl M+NH4 - - - C53 H92 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:0_27:0_19:1)+NH4 TG(18:0_27:0_19:1)+NH4 TG(64:1)+NH4 1 1047.004915 22.41447805 TG triacyl M+NH4 - - - C67 H132 N1 O6 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC PC(22:1COOH_17:3)+H PC(22:1COOH_17:3)+H PC(39:4COOH)+H 1 854.5905635 6.981522531 PC carboxylic M+H - - - C47 H85 N1 O10 P1 CC=CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C DG(18:0_20:5)+Na DG(18:0_20:5)+Na DG(38:5)+Na 1 665.5115465 16.21925002 DG diacyl M+Na RM0035544 C41 H70 Na1 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(18:2_20:4)+Na PE(18:2_20:4)+Na PE(38:6)+Na 1 786.5044285 8.160725788 PE diacyl M+Na RM0001467 C43 H74 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:0_13:1_17:1)+NH4 TG(15:0_13:1_17:1)+NH4 TG(45:2)+NH4 1 778.6919155 20.30565389 TG triacyl M+NH4 - - - C48 H92 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(20:3_20:5_20:5)+NH4 TG(20:3_20:5_20:5)+NH4 TG(60:13)+NH4 1 966.7545155 19.79021776 TG triacyl M+NH4 RM0069641 C63 H100 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(12:0_20:5_20:5)+NH4 TG(12:0_20:5_20:5)+NH4 TG(52:10)+NH4 1 860.6762655 18.86454603 TG triacyl M+NH4 RM0069050 C55 H90 N1 O6 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_22:0)+H_2 Cer(d17:1_22:0)+H Cer(d39:1)+H 1 608.5976205 17.57847183 Cer acylsphingosines M+H 134752283 RM0029808 C39 H78 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC)O TG(5:0_18:2_18:3)+NH4_2 TG(5:0_18:2_18:3)+NH4 TG(41:5)+NH4 1 716.5823655 16.73166064 TG triacyl M+NH4 - - - C44 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PE(P-19:0_20:3)+H PE(P-19:0_20:3)+H PE(P-39:3)+H 1 768.5901685 16.30020711 PE alkenyl-acyl M+H - - - C44 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(14:1_15:1_14:2)+NH4 TG(14:1_15:1_14:2)+NH4 TG(43:4)+NH4 1 746.6293155 18.84498089 TG triacyl M+NH4 - - - C46 H84 N1 O6 CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC DG(18:1_18:3)+NH4_1 DG(18:1_18:3)+NH4 DG(36:4)+NH4 1 634.5405005 15.00511365 DG diacyl M+NH4 RM0134342 C39 H72 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC DG(17:1_17:1)+Na DG(17:1_17:1)+Na DG(34:2)+Na 1 615.4958965 16.20325117 DG diacyl M+Na - - - C37 H68 Na1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC=CC TG(20:3_20:3_20:5)+NH4 TG(20:3_20:3_20:5)+NH4 TG(60:11)+NH4 1 970.7858155 20.28947659 TG triacyl M+NH4 RM0110262 C63 H104 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC Cer(d17:0_22:0)+H Cer(d17:0_22:0)+H Cer(d39:0)+H 1 610.6132705 18.16324023 Cer acylsphinganines M+H 134743225 RM0012635 C39 H80 N1 O3 CCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC)O TG(18:0CHO_17:1_17:1)+NH4_1 TG(18:0CHO_17:1_17:1)+NH4 TG(52:2CHO)+NH4 1 890.7807305 19.39986438 TG aldehyde M+NH4 - - - C55 H104 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) AcCa(20:4)+H_1 AcCa(20:4)+H AcCa(20:4)+H 1 448.3421355 2.088041877 AcCa Fatty acyl carnitines M+H RM0154159 C27 H46 N1 O4 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(5:0_16:1_17:1)+NH4 TG(5:0_16:1_17:1)+NH4 TG(38:2)+NH4 1 680.5823655 17.90922334 TG triacyl M+NH4 - - - C41 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(18:2_20:5)+Na PC(18:2_20:5)+Na PC(38:7)+Na 1 826.5357285 7.987400035 PC diacyl M+Na RM0171080 C46 H78 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(17:0_18:1)+NH4_2 DG(17:0_18:1)+NH4 DG(35:1)+NH4 1 626.5718005 17.40546386 DG diacyl M+NH4 RM0034813 C38 H76 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(17:1_20:4_20:5)+NH4_1 TG(17:1_20:4_20:5)+NH4 TG(57:10)+NH4 1 930.7545155 20.23064097 TG triacyl M+NH4 RM0025418 C60 H100 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(27:0_18:1_18:1)+NH4_1 TG(27:0_18:1_18:1)+NH4 TG(63:2)+NH4 1 1030.973615 22.00861079 TG triacyl M+NH4 RM0115035 C66 H128 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC Hex1Cer(t18:1_24:0)+H_1 Hex1Cer(t18:1_24:0)+H Hex1Cer(t42:1)+H 1 828.6923105 17.69233441 Hex1Cer t-Ceramide monosaccharides M+H RM0185849 C48 H94 N1 O9 CCCCCCCCCCCCC=CC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O Hex1Cer(t17:0_26:1)+H_1 Hex1Cer(t17:0_26:1)+H Hex1Cer(t43:1)+H 1 842.7079605 18.1879361 Hex1Cer t-Ceramide monosaccharides M+H RM0125603 C49 H96 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CC)O TG(17:1_18:2_20:6)+NH4 TG(17:1_18:2_20:6)+NH4 TG(55:9)+NH4 1 904.7388655 19.5966418 TG triacyl M+NH4 - - - C58 H98 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCC=CC=CC=CC=CC=CC=CC PE(18:3_20:5)+H PE(18:3_20:5)+H PE(38:8)+H 1 760.4911835 7.513742475 PE diacyl M+H RM0001147 C43 H71 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(2:0_18:1_18:1)+NH4 TG(2:0_18:1_18:1)+NH4 TG(38:2)+NH4 1 680.5823655 17.81811747 TG triacyl M+NH4 - - - C41 H78 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(9:0_15:0_17:1)+Na TG(9:0_15:0_17:1)+Na TG(41:1)+Na 1 729.6003615 19.61989752 TG triacyl M+Na - - - C44 H82 Na1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC PE(18:3_18:2)+H PE(18:3_18:2)+H PE(36:5)+H 1 738.5068335 9.131483977 PE diacyl M+H RM0001182 C41 H73 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PC(17:1COOH_23:5)+H PC(17:1COOH_23:5)+H PC(40:6COOH)+H 1 864.5749135 5.63455756 PC carboxylic M+H - - - C48 H83 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C PE(21:0_20:5)+H PE(21:0_20:5)+H PE(41:5)+H 1 808.5850835 15.79226095 PE diacyl M+H RM0001422 C46 H83 N1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(2:0_19:1_18:2)+NH4 TG(2:0_19:1_18:2)+NH4 TG(39:3)+NH4 1 692.5823655 17.7447821 TG triacyl M+NH4 - - - C42 H78 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(29:0_19:1_18:2)+NH4 TG(29:0_19:1_18:2)+NH4 TG(66:3)+NH4 1 1071.004915 22.16050292 TG triacyl M+NH4 - - - C69 H132 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC PC(18:1_18:3)+Na_1 PC(18:1_18:3)+Na PC(36:4)+Na 1 804.5513785 10.11871135 PC diacyl M+Na RM0025434 C44 H80 N1 Na1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(16:0_22:0_17:1)+NH4 TG(16:0_22:0_17:1)+NH4 TG(55:1)+NH4 1 920.8640655 21.57303965 TG triacyl M+NH4 RM0064518 C58 H114 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC PG(20:5_18:1)+Na PG(20:5_18:1)+Na PG(38:6)+Na 1 817.4990095 7.832942022 PG diacyl M+Na RM0030879 C44 H75 Na1 O10 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCC(CO)O TG(18:0_20:4_20:5)+NH4 TG(18:0_20:4_20:5)+NH4 TG(58:9)+NH4 1 946.7858155 20.61012613 TG triacyl M+NH4 RM0069581 C61 H104 N1 O6 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(16:1_26:3)+H PC(16:1_26:3)+H PC(42:4)+H 1 866.6633335 16.66647355 PC diacyl M+H - - - C50 H93 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(18:3_20:5_20:5)+NH4 TG(18:3_20:5_20:5)+NH4 TG(58:13)+NH4 1 938.7232155 19.28178331 TG triacyl M+NH4 RM0022194 C61 H96 N1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(20:5_18:0COOH)+H PC(20:5_18:0COOH)+H PC(38:5COOH)+H 1 838.5592635 6.582896847 PC carboxylic M+H - - - C46 H81 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(15:1_18:2_20:5)+NH4 TG(15:1_18:2_20:5)+NH4 TG(53:8)+NH4 1 878.7232155 19.98558656 TG triacyl M+NH4 RM0107784 C56 H96 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_21:1)+H Cer(d17:1_21:1)+H Cer(d38:2)+H 1 592.5663205 16.55752081 Cer acylsphingosines M+H - - - C38 H74 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCC=CC)O TG(18:0_20:0_17:1)+NH4 TG(18:0_20:0_17:1)+NH4 TG(55:1)+NH4 1 920.8640655 21.62047108 TG triacyl M+NH4 RM0019919 C58 H114 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC PC(20:2_19:1)+Na PC(20:2_19:1)+Na PC(39:3)+Na 1 848.6139785 14.6354824 PC diacyl M+Na - - - C47 H88 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_14:0_17:1)+NH4 TG(5:0_14:0_17:1)+NH4 TG(36:1)+NH4 1 654.5667155 17.86611152 TG triacyl M+NH4 - - - C39 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(5:0_17:1_18:1)+NH4_3 TG(5:0_17:1_18:1)+NH4 TG(40:2)+NH4 1 708.6136655 18.49855321 TG triacyl M+NH4 - - - C43 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(20:4_20:5)+Na_2 PC(20:4_20:5)+Na PC(40:9)+Na 1 850.5357285 7.665219069 PC diacyl M+Na RM0171159 C48 H78 N1 Na1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_15:0_16:1)+NH4 TG(5:0_15:0_16:1)+NH4 TG(36:1)+NH4 1 654.5667155 17.46497287 TG triacyl M+NH4 - - - C39 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC=CC TG(10:0_15:0_17:1)+NH4 TG(10:0_15:0_17:1)+NH4 TG(42:1)+NH4 1 738.6606155 19.99072944 TG triacyl M+NH4 RM0062123 C45 H88 N1 O6 CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC AcCa(18:0)+H AcCa(18:0)+H AcCa(18:0)+H 1 428.3734355 3.852600589 AcCa Fatty acyl carnitines M+H 52922056 RM0153850 C25 H50 N1 O4 CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C Co(Q9)+H Co(Q9)+H Co(Q9)+H 1 795.6285865 19.44571103 Co Coenzyme Q M+H 5280473 C01967 RM0135423 C54 H83 O4 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C TG(14:0_14:0_17:1)+NH4 TG(14:0_14:0_17:1)+NH4 TG(45:1)+NH4 1 780.7075655 20.6253473 TG triacyl M+NH4 RM0013358 C48 H94 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(14:0_20:5_20:5)+NH4 TG(14:0_20:5_20:5)+NH4 TG(54:10)+NH4 1 888.7075655 19.58960366 TG triacyl M+NH4 RM0111184 C57 H94 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC DG(17:1_20:5)+NH4 DG(17:1_20:5)+NH4 DG(37:6)+NH4 1 644.5248505 13.69605267 DG diacyl M+NH4 RM0034402 C40 H70 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(21:0_18:1_19:1)+NH4 TG(21:0_18:1_19:1)+NH4 TG(58:2)+NH4 1 960.8953655 21.68044643 TG triacyl M+NH4 - - - C61 H118 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCC TG(5:0_18:0_18:1)+NH4_2 TG(5:0_18:0_18:1)+NH4 TG(41:1)+NH4 1 724.6449655 19.11129291 TG triacyl M+NH4 RM0177822 C44 H86 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC TG(5:0_16:0_18:2)+NH4 TG(5:0_16:0_18:2)+NH4 TG(39:2)+NH4 1 694.5980155 18.39025437 TG triacyl M+NH4 RM0177819 C42 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC=CC=CC TG(27:0_19:1_18:2)+NH4 TG(27:0_19:1_18:2)+NH4 TG(64:3)+NH4 1 1042.973615 21.98818721 TG triacyl M+NH4 - - - C67 H128 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(5:0_15:1_17:1)+NH4 TG(5:0_15:1_17:1)+NH4 TG(37:2)+NH4 1 666.5667155 17.58350167 TG triacyl M+NH4 - - - C40 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(5:0_18:1_18:1)+NH4 TG(5:0_18:1_18:1)+NH4 TG(41:2)+NH4 1 722.6293155 19.05132084 TG triacyl M+NH4 - - - C44 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(29:0_17:1_19:1)+NH4 TG(29:0_17:1_19:1)+NH4 TG(65:2)+NH4 1 1059.004915 22.3216778 TG triacyl M+NH4 - - - C68 H132 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC DG(18:1_20:2)+NH4 DG(18:1_20:2)+NH4 DG(38:3)+NH4 1 664.5874505 17.21459974 DG diacyl M+NH4 RM0034432 C41 H78 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC=CC DG(20:3_20:3)+NH4 DG(20:3_20:3)+NH4 DG(40:6)+NH4 1 686.5718005 15.57714391 DG diacyl M+NH4 RM0033988 C43 H76 N1 O5 CC=CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC DG(20:4_20:4)+NH4_1 DG(20:4_20:4)+NH4 DG(40:8)+NH4 1 682.5405005 13.62803794 DG diacyl M+NH4 RM0134346 C43 H72 N1 O5 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(17:2_18:2)+Na PC(17:2_18:2)+Na PC(35:4)+Na 1 790.5357285 8.685107317 PC diacyl M+Na RM0091729 C43 H78 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C Hex1Cer(t18:1_24:0)+H_2 Hex1Cer(t18:1_24:0)+H Hex1Cer(t42:1)+H 1 828.6923105 17.89990948 Hex1Cer t-Ceramide monosaccharides M+H RM0185849 C48 H94 N1 O9 CCCCCCCCCCCCC=CC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O TG(5:0_17:1_17:1)+Na TG(5:0_17:1_17:1)+Na TG(39:2)+Na 1 699.5534115 18.57570137 TG triacyl M+Na - - - C42 H76 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:2_20:4_20:5)+NH4 TG(18:2_20:4_20:5)+NH4 TG(58:11)+NH4 1 942.7545155 19.94097161 TG triacyl M+NH4 RM0109828 C61 H100 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC DG(16:0_20:3)+NH4 DG(16:0_20:3)+NH4 DG(36:3)+NH4 1 636.5561505 16.32164815 DG diacyl M+NH4 RM0171337 C39 H74 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PC(27:4_10:1COOH)+H PC(27:4_10:1COOH)+H PC(37:5COOH)+H 1 824.5436135 6.138910671 PC carboxylic M+H - - - C45 H79 N1 O10 P1 CC=CC=CC=CC=CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_14:1_18:1)+NH4 TG(15:0_14:1_18:1)+NH4 TG(47:2)+NH4 1 806.7232155 20.53071098 TG triacyl M+NH4 RM0063547 C50 H96 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PC(18:1_18:3)+Na_2 PC(18:1_18:3)+Na PC(36:4)+Na 1 804.5513785 9.799211162 PC diacyl M+Na RM0025434 C44 H80 N1 Na1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C AcCa(20:5)+H_1 AcCa(20:5)+H AcCa(20:5)+H 1 446.3264855 1.686285621 AcCa Fatty acyl carnitines M+H RM0154161 C27 H44 N1 O4 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C DG(18:0_18:2)+NH4 DG(18:0_18:2)+NH4 DG(36:2)+NH4 1 638.5718005 17.33688837 DG diacyl M+NH4 RM0034479 C39 H76 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC BisMePE(19:1_18:2)+H BisMePE(19:1_18:2)+H BisMePE(37:3)+H 1 784.5850835 13.53313162 BisMePE diacyl M+H - - - C44 H83 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(OC)OCCNC TG(4:0_17:1_17:1)+NH4 TG(4:0_17:1_17:1)+NH4 TG(38:2)+NH4 1 680.5823655 18.21431969 TG triacyl M+NH4 - - - C41 H78 N1 O6 CCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(20:1CHO_18:4)+H PC(20:1CHO_18:4)+H PC(38:5CHO)+H 1 822.5643485 5.727442267 PC aldehyde M+H - - - C46 H81 N1 O9 P1 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_17:1_20:3)+NH4 TG(5:0_17:1_20:3)+NH4 TG(42:4)+NH4 1 732.6136655 18.30535094 TG triacyl M+NH4 - - - C45 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(2:0_18:0_18:2)+NH4 TG(2:0_18:0_18:2)+NH4 TG(38:2)+NH4 1 680.5823655 18.07932725 TG triacyl M+NH4 - - - C41 H78 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC AcCa(20:5)+H_2 AcCa(20:5)+H AcCa(20:5)+H 1 446.3264855 1.758504335 AcCa Fatty acyl carnitines M+H RM0154161 C27 H44 N1 O4 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(9:0_17:1_18:1)+NH4_1 TG(9:0_17:1_18:1)+NH4 TG(44:2)+NH4 1 764.6762655 20.01816368 TG triacyl M+NH4 - - - C47 H90 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(12:0_15:0_17:1)+NH4 TG(12:0_15:0_17:1)+NH4 TG(44:1)+NH4 1 766.6919155 20.39387102 TG triacyl M+NH4 RM0066697 C47 H92 N1 O6 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC DG(18:0_20:4)+NH4_2 DG(18:0_20:4)+NH4 DG(38:4)+NH4 1 662.5718005 16.78603241 DG diacyl M+NH4 RM0134343 C41 H76 N1 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC DG(18:1_28:3)+H DG(18:1_28:3)+H DG(46:4)+H 1 757.6704515 16.52502324 DG diacyl M+H - - - C49 H89 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC=CC=CC=CC TG(5:0_14:1_17:1)+NH4 TG(5:0_14:1_17:1)+NH4 TG(36:2)+NH4 1 652.5510655 16.83044601 TG triacyl M+NH4 - - - C39 H74 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(14:0_17:1_17:1)+NH4_1 TG(14:0_17:1_17:1)+NH4 TG(48:2)+NH4 1 820.7388655 20.81020975 TG triacyl M+NH4 RM0112577 C51 H98 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:0_17:1_18:1)+NH4_1 TG(17:0_17:1_18:1)+NH4 TG(52:2)+NH4 1 876.8014655 20.62194263 TG triacyl M+NH4 RM0070299 C55 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC TG(17:0_22:0_18:1)+NH4 TG(17:0_22:0_18:1)+NH4 TG(57:1)+NH4 1 948.8953655 21.74846007 TG triacyl M+NH4 RM0104489 C60 H118 N1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(20:4_20:5_20:5)+NH4_2 TG(20:4_20:5_20:5)+NH4 TG(60:14)+NH4 1 964.7388655 19.50855506 TG triacyl M+NH4 RM0113857 C63 H98 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(14:0_16:0_17:1)+NH4 TG(14:0_16:0_17:1)+NH4 TG(47:1)+NH4 1 808.7388655 20.79239188 TG triacyl M+NH4 RM0063305 C50 H98 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC Cer(d16:1_22:0)+H Cer(d16:1_22:0)+H Cer(d38:1)+H 1 594.5819705 17.40713155 Cer acylsphingosines M+H 10627306 RM0028902 C38 H76 N1 O3 CCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC)O TG(9:0_15:0_17:1)+NH4 TG(9:0_15:0_17:1)+NH4 TG(41:1)+NH4 1 724.6449655 19.61989752 TG triacyl M+NH4 - - - C44 H86 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(5:0_15:0_17:1)+Na TG(5:0_15:0_17:1)+Na TG(37:1)+Na 1 673.5377615 18.20054483 TG triacyl M+Na - - - C40 H74 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC PC(25:4_10:1CHO)+H PC(25:4_10:1CHO)+H PC(35:5CHO)+H 1 780.5173985 5.777397544 PC aldehyde M+H - - - C43 H75 N1 O9 P1 CC=CC=CC=CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(16:0_20:5_20:5)+NH4 TG(16:0_20:5_20:5)+NH4 TG(56:10)+NH4 1 916.7388655 20.10310541 TG triacyl M+NH4 RM0069186 C59 H98 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:1_20:5_20:5)+NH4 TG(18:1_20:5_20:5)+NH4 TG(58:11)+NH4 1 942.7545155 20.07791316 TG triacyl M+NH4 RM0066062 C61 H100 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(17:1_17:1)+Na PC(17:1_17:1)+Na PC(34:2)+Na 1 780.5513785 11.58118474 PC diacyl M+Na RM0103999 C42 H80 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(9:0COOH_27:5)+H PC(9:0COOH_27:5)+H PC(36:5COOH)+H 1 810.5279635 5.360652988 PC carboxylic M+H - - - C44 H77 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C DG(22:0_18:1)+NH4 DG(22:0_18:1)+NH4 DG(40:1)+NH4 1 696.6500505 19.78748314 DG diacyl M+NH4 RM0035377 C43 H86 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC DG(16:0_20:5)+NH4 DG(16:0_20:5)+NH4 DG(36:5)+NH4 1 632.5248505 14.36941601 DG diacyl M+NH4 RM0034811 C39 H70 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(22:0_18:1_20:3)+NH4 TG(22:0_18:1_20:3)+NH4 TG(60:4)+NH4 1 984.8953655 21.53720067 TG triacyl M+NH4 RM0025226 C63 H118 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC DG(18:3_20:4)+NH4 DG(18:3_20:4)+NH4 DG(38:7)+NH4 1 656.5248505 12.11869589 DG diacyl M+NH4 RM0004085 C41 H70 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(13:0_20:5_20:5)+NH4 TG(13:0_20:5_20:5)+NH4 TG(53:10)+NH4 1 874.6919155 19.126483 TG triacyl M+NH4 RM0069059 C56 H92 N1 O6 CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Hex1Cer(d17:1_24:0)+H Hex1Cer(d17:1_24:0)+H Hex1Cer(d41:1)+H 1 798.6817455 17.68505716 Hex1Cer Ceramide monosaccharides M+H RM0014098 C47 H92 N1 O8 CCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O AcCa(20:4)+H_2 AcCa(20:4)+H AcCa(20:4)+H 1 448.3421355 2.283016368 AcCa Fatty acyl carnitines M+H RM0154159 C27 H46 N1 O4 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PE(20:5_20:5)+H PE(20:5_20:5)+H PE(40:10)+H 1 784.4911835 7.019260605 PE diacyl M+H RM0001732 C45 H71 N1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(17:0_26:0_19:1)+NH4 TG(17:0_26:0_19:1)+NH4 TG(62:1)+NH4 1 1018.973615 22.21196681 TG triacyl M+NH4 - - - C65 H128 N1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC TG(14:0_15:0_16:1)+NH4 TG(14:0_15:0_16:1)+NH4 TG(45:1)+NH4 1 780.7075655 20.50359921 TG triacyl M+NH4 RM0073415 C48 H94 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC=CC TG(22:0_18:1_20:1)+NH4 TG(22:0_18:1_20:1)+NH4 TG(60:2)+NH4 1 988.9266655 21.70645571 TG triacyl M+NH4 RM0068265 C63 H122 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC DG(18:1_20:1)+NH4 DG(18:1_20:1)+NH4 DG(38:2)+NH4 1 666.6031005 18.0887389 DG diacyl M+NH4 RM0033861 C41 H80 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC=CC PE(18:4_20:5)+H PE(18:4_20:5)+H PE(38:9)+H 1 758.4755335 6.460767193 PE diacyl M+H RM0001425 C43 H69 N1 O8 P1 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(5:0_17:0_17:0)+NH4 TG(5:0_17:0_17:0)+NH4 TG(39:0)+NH4 1 698.6293155 19.5866111 TG triacyl M+NH4 - - - C42 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC TG(14:0_13:1_17:1)+NH4 TG(14:0_13:1_17:1)+NH4 TG(44:2)+NH4 1 764.6762655 20.1824616 TG triacyl M+NH4 - - - C47 H90 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(16:1_20:5_20:5)+Na TG(16:1_20:5_20:5)+Na TG(56:11)+Na 1 919.6786115 19.60181193 TG triacyl M+Na RM0064267 C59 H92 Na1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:4_20:5_20:5)+NH4 TG(18:4_20:5_20:5)+NH4 TG(58:14)+NH4 1 936.7075655 18.7533764 TG triacyl M+NH4 RM0096625 C61 H94 N1 O6 CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_20:1)+H Cer(d17:1_20:1)+H Cer(d37:2)+H 1 578.5506705 15.80391072 Cer acylsphingosines M+H RM0029494 C37 H72 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCC=CC)O DG(16:1_18:1)+NH4_1 DG(16:1_18:1)+NH4 DG(34:2)+NH4 1 610.5405005 15.64521629 DG diacyl M+NH4 RM0033952 C37 H72 N1 O5 CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC DG(19:1_18:2)+Na DG(19:1_18:2)+Na DG(37:3)+Na 1 655.5271965 16.94658801 DG diacyl M+Na RM0035202 C40 H72 Na1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(14:0_15:0_17:1)+NH4 TG(14:0_15:0_17:1)+NH4 TG(46:1)+NH4 1 794.7232155 20.708365 TG triacyl M+NH4 RM0115763 C49 H96 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:0CHO_17:1_19:1)+NH4_1 TG(18:0CHO_17:1_19:1)+NH4 TG(54:2CHO)+NH4 1 918.8120305 20.48673337 TG aldehyde M+NH4 - - - C57 H108 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(5:0_18:1_18:4)+NH4 TG(5:0_18:1_18:4)+NH4 TG(41:5)+NH4 1 716.5823655 16.97921186 TG triacyl M+NH4 - - - C44 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(O-15:1_20:5)+H PC(O-15:1_20:5)+H PC(O-35:6)+H 1 750.5432185 13.78139273 PC alkyl-acyl M+H RM0180377 C43 H77 N1 O7 P1 CC=CCCCCCCCCCCCCOC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(13:3CHO_17:0)+H PE(13:3CHO_17:0)+H PE(30:3CHO)+H 1 672.4234985 4.415360779 PE aldehyde M+H - - - C35 H63 N1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CC=CC=CC(=O))COP(=O)(O)OCCN TG(17:1_18:3_20:5)+NH4 TG(17:1_18:3_20:5)+NH4 TG(55:9)+NH4 1 904.7388655 20.13242355 TG triacyl M+NH4 RM0161601 C58 H98 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC AcCa(16:0)+H AcCa(16:0)+H AcCa(16:0)+H 1 400.3421355 2.894068433 AcCa Fatty acyl carnitines M+H 11953816 C02990 RM0153848 C23 H46 N1 O4 CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(17:0_18:0_18:1)+NH4 TG(17:0_18:0_18:1)+NH4 TG(53:1)+NH4 1 892.8327655 21.4002223 TG triacyl M+NH4 RM0031666 C56 H110 N1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC Hex1Cer(d17:1_24:1)+H_1 Hex1Cer(d17:1_24:1)+H Hex1Cer(d41:2)+H 1 796.6660955 17.17102988 Hex1Cer Ceramide monosaccharides M+H RM0014164 C47 H90 N1 O8 CCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCC=CC)O TG(27:0_19:1_20:3)+NH4 TG(27:0_19:1_20:3)+NH4 TG(66:4)+NH4 1 1068.989265 22.00598972 TG triacyl M+NH4 - - - C69 H130 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC Hex1Cer(t17:0_24:1)+H_1 Hex1Cer(t17:0_24:1)+H Hex1Cer(t41:1)+H 1 814.6766605 17.17007277 Hex1Cer t-Ceramide monosaccharides M+H RM0028048 C47 H92 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCC=CC)O DG(18:1_20:5)+NH4 DG(18:1_20:5)+NH4 DG(38:6)+NH4 1 658.5405005 14.48177622 DG diacyl M+NH4 RM0012583 C41 H72 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(15:0_17:1_17:1)+NH4_2 TG(15:0_17:1_17:1)+NH4 TG(49:2)+NH4 1 834.7545155 20.87535525 TG triacyl M+NH4 RM0016609 C52 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(14:1_16:1_18:2)+NH4_1 TG(14:1_16:1_18:2)+NH4 TG(48:4)+NH4 1 816.7075655 20.18356245 TG triacyl M+NH4 RM0067802 C51 H94 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC TG(15:1_17:1_16:2)+NH4 TG(15:1_17:1_16:2)+NH4 TG(48:4)+NH4 1 816.7075655 20.23266909 TG triacyl M+NH4 - - - C51 H94 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(15:0_27:0_17:1)+NH4 TG(15:0_27:0_17:1)+NH4 TG(59:1)+NH4 1 976.9266655 21.88259965 TG triacyl M+NH4 RM0016607 C62 H122 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC PE(18:2_18:2)+Na_1 PE(18:2_18:2)+Na PE(36:4)+Na 1 762.5044285 8.315738754 PE diacyl M+Na RM0008639 C41 H74 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(18:0_27:0_18:1)+NH4 TG(18:0_27:0_18:1)+NH4 TG(63:1)+NH4 1 1032.989265 22.24641165 TG triacyl M+NH4 RM0088197 C66 H130 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(15:0_18:0CHO_17:1)+NH4_1 TG(15:0_18:0CHO_17:1)+NH4 TG(50:1CHO)+NH4 1 864.7650805 19.13880876 TG aldehyde M+NH4 - - - C53 H102 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(27:0_17:1_18:2)+NH4 TG(27:0_17:1_18:2)+NH4 TG(62:3)+NH4 1 1014.942315 21.82981843 TG triacyl M+NH4 RM0107905 C65 H124 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC PE(20:0_20:5)+H PE(20:0_20:5)+H PE(40:5)+H 1 794.5694335 14.95263459 PE diacyl M+H RM0098906 C45 H81 N1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(7:0_15:0_16:1)+NH4 TG(7:0_15:0_16:1)+NH4 TG(38:1)+NH4 1 682.5980155 18.30957279 TG triacyl M+NH4 - - - C41 H80 N1 O6 CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC=CC TG(2:0_17:1_17:1)+NH4 TG(2:0_17:1_17:1)+NH4 TG(36:2)+NH4 1 652.5510655 17.15572402 TG triacyl M+NH4 - - - C39 H74 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(15:0_20:5)+Na PC(15:0_20:5)+Na PC(35:5)+Na 1 788.5200785 8.103701486 PC diacyl M+Na RM0036657 C43 H76 N1 Na1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C AcCa(20:0)+H AcCa(20:0)+H AcCa(20:0)+H 1 456.4047355 4.718970272 AcCa Fatty acyl carnitines M+H 53477833 RM0154165 C27 H54 N1 O4 CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(13:0_14:0_15:0)+NH4 TG(13:0_14:0_15:0)+NH4 TG(42:0)+NH4 1 740.6762655 20.27011052 TG triacyl M+NH4 RM0111407 C45 H90 N1 O6 CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC PE(17:0_20:5)+H_1 PE(17:0_20:5)+H PE(37:5)+H 1 752.5224835 10.90645603 PE diacyl M+H RM0028171 C42 H75 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN DG(18:0_18:3)+NH4_1 DG(18:0_18:3)+NH4 DG(36:3)+NH4 1 636.5561505 16.63815519 DG diacyl M+NH4 RM0034197 C39 H74 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC PE(P-20:1_18:2)+H PE(P-20:1_18:2)+H PE(P-38:3)+H 1 754.5745185 15.51388838 PE alkenyl-acyl M+H RM0055457 C43 H81 N1 O7 P1 CC=CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(5:0_18:1_20:4)+NH4_2 TG(5:0_18:1_20:4)+NH4 TG(43:5)+NH4 1 744.6136655 18.10199804 TG triacyl M+NH4 - - - C46 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(27:0_19:1_18:3)+NH4 TG(27:0_19:1_18:3)+NH4 TG(64:4)+NH4 1 1040.957965 21.8495191 TG triacyl M+NH4 - - - C67 H126 N1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC DG(19:1_20:5)+NH4_1 DG(19:1_20:5)+NH4 DG(39:6)+NH4 1 672.5561505 15.72263463 DG diacyl M+NH4 - - - C42 H74 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(17:1_20:3)+Na PC(17:1_20:3)+Na PC(37:4)+Na 1 818.5670285 11.23012359 PC diacyl M+Na RM0104000 C45 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(19:1_18:2_20:4)+NH4 TG(19:1_18:2_20:4)+NH4 TG(57:7)+NH4 1 936.8014655 20.79744835 TG triacyl M+NH4 - - - C60 H106 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(22:0_20:5)+H PE(22:0_20:5)+H PE(42:5)+H 1 822.6007335 16.48961984 PE diacyl M+H RM0001591 C47 H85 N1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(5:0_14:0_15:0)+NH4 TG(5:0_14:0_15:0)+NH4 TG(34:0)+NH4 1 628.5510655 17.43572519 TG triacyl M+NH4 - - - C37 H74 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC PC(20:5_20:5)+Na PC(20:5_20:5)+Na PC(40:10)+Na 1 848.5200785 6.613268337 PC diacyl M+Na RM0134892 C48 H76 N1 Na1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(7:0_18:1_18:2)+NH4 TG(7:0_18:1_18:2)+NH4 TG(43:3)+NH4 1 748.6449655 19.05740948 TG triacyl M+NH4 - - - C46 H86 N1 O6 CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(16:0_20:1CHO)+H PC(16:0_20:1CHO)+H PC(36:1CHO)+H 1 802.5956485 9.041780586 PC aldehyde M+H - - - C44 H85 N1 O9 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C AcCa(17:0)+H_1 AcCa(17:0)+H AcCa(17:0)+H 1 414.3577855 3.34153446 AcCa Fatty acyl carnitines M+H 145720489 RM0154058 C24 H48 N1 O4 CCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(17:0_18:0_19:1)+NH4 TG(17:0_18:0_19:1)+NH4 TG(54:1)+NH4 1 906.8484155 21.51842556 TG triacyl M+NH4 RM0176233 C57 H112 N1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(15:1_17:1_17:1)+NH4_1 TG(15:1_17:1_17:1)+NH4 TG(49:3)+NH4 1 832.7388655 20.74407831 TG triacyl M+NH4 RM0064062 C52 H98 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC AcCa(14:0)+H AcCa(14:0)+H AcCa(14:0)+H 1 372.3108355 1.854440746 AcCa Fatty acyl carnitines M+H 53477791 RM0154013 C21 H42 N1 O4 CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(O-18:2_18:2)+NH4 TG(O-18:2_18:2)+NH4 TG(O-36:4)+NH4 1 634.5405005 14.62811356 TG alkyl-acyl M+NH4 - - - C39 H72 N1 O5 CC=CC=CCCCCCCCCCCOCC(COC(=O)CC)OC(=O)CCCCCCCCCCCCC=CC=CC Hex1Cer(t17:0_23:1)+H_1 Hex1Cer(t17:0_23:1)+H Hex1Cer(t40:1)+H 1 800.6610105 16.79268523 Hex1Cer t-Ceramide monosaccharides M+H - - - C46 H90 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCC=CC)O TG(17:1_20:5_20:5)+NH4_1 TG(17:1_20:5_20:5)+NH4 TG(57:11)+NH4 1 928.7388655 19.96654643 TG triacyl M+NH4 RM0070477 C60 H98 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:1_20:4CHO)+H PC(18:1_20:4CHO)+H PC(38:5CHO)+H 1 822.5643485 6.906912163 PC aldehyde M+H - - - C46 H81 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC(=O))COP(=O)([O-])OCC[N+](C)(C)C Cer(d16:1_24:1)+H Cer(d16:1_24:1)+H Cer(d40:2)+H 1 620.5976205 17.96806289 Cer acylsphingosines M+H RM0029561 C40 H78 N1 O3 CCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC=CC)O TG(14:0_16:1_17:1)+NH4 TG(14:0_16:1_17:1)+NH4 TG(47:2)+NH4 1 806.7232155 20.62040496 TG triacyl M+NH4 RM0062031 C50 H96 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(20:5_17:0)+Na PC(20:5_17:0)+Na PC(37:5)+Na 1 816.5513785 10.56644927 PC diacyl M+Na RM0001077 C45 H80 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(18:2_18:2)+NH4 DG(18:2_18:2)+NH4 DG(36:4)+NH4 1 634.5405005 14.61890423 DG diacyl M+NH4 RM0134347 C39 H72 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC TG(6:0COOH_18:2_18:2)+Na_1 TG(6:0COOH_18:2_18:2)+Na TG(42:4COOH)+Na 1 767.5432415 10.06013877 TG carboxylic M+Na - - - C45 H76 Na1 O8 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCC(=O)O Hex1Cer(t17:0_23:1)+H_2 Hex1Cer(t17:0_23:1)+H Hex1Cer(t40:1)+H 1 800.6610105 16.53766419 Hex1Cer t-Ceramide monosaccharides M+H - - - C46 H90 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCC=CC)O PC(29:5_10:0COOH)+H_1 PC(29:5_10:0COOH)+H PC(39:5COOH)+H 1 852.5749135 6.741864265 PC carboxylic M+H - - - C47 H83 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C Hex1Cer(t17:0_26:1)+H_2 Hex1Cer(t17:0_26:1)+H Hex1Cer(t43:1)+H 1 842.7079605 18.3637583 Hex1Cer t-Ceramide monosaccharides M+H RM0125603 C49 H96 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CC)O PC(17:1_20:5)+Na_1 PC(17:1_20:5)+Na PC(37:6)+Na 1 814.5357285 8.863639925 PC diacyl M+Na RM0104001 C45 H78 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(22:0_18:1_19:1)+NH4_2 TG(22:0_18:1_19:1)+NH4 TG(59:2)+NH4 1 974.9110155 21.62174625 TG triacyl M+NH4 - - - C62 H120 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC PE(17:0_20:3)+H PE(17:0_20:3)+H PE(37:3)+H 1 756.5537835 13.5895527 PE diacyl M+H RM0098912 C42 H79 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(15:1_17:1_20:5)+NH4 TG(15:1_17:1_20:5)+NH4 TG(52:7)+NH4 1 866.7232155 20.23472307 TG triacyl M+NH4 RM0105984 C55 H96 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(17:1_20:3_20:5)+NH4 TG(17:1_20:3_20:5)+NH4 TG(57:9)+NH4 1 932.7701655 20.41008847 TG triacyl M+NH4 RM0069211 C60 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(14:0_16:0_17:0)+NH4 TG(14:0_16:0_17:0)+NH4 TG(47:0)+NH4 1 810.7545155 21.04322281 TG triacyl M+NH4 RM0077336 C50 H100 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC AcCa(16:1)+H_1 AcCa(16:1)+H AcCa(16:1)+H 1 398.3264855 1.945274285 AcCa Fatty acyl carnitines M+H RM0153934 C23 H44 N1 O4 CC=CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(18:0CHO_18:1_18:1)+NH4_1 TG(18:0CHO_18:1_18:1)+NH4 TG(54:2CHO)+NH4 1 918.8120305 19.75165077 TG aldehyde M+NH4 - - - C57 H108 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(15:1_17:1_16:3)+NH4 TG(15:1_17:1_16:3)+NH4 TG(48:5)+NH4 1 814.6919155 19.97073327 TG triacyl M+NH4 - - - C51 H92 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCC=CC DG(20:3_20:4)+NH4 DG(20:3_20:4)+NH4 DG(40:7)+NH4 1 684.5561505 14.22734223 DG diacyl M+NH4 RM0013161 C43 H74 N1 O5 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(27:0_17:1_20:5)+NH4 TG(27:0_17:1_20:5)+NH4 TG(64:6)+NH4 1 1036.926665 21.64321554 TG triacyl M+NH4 RM0106692 C67 H122 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(14:0_15:0_16:0)+NH4 TG(14:0_15:0_16:0)+NH4 TG(45:0)+NH4 1 782.7232155 20.78701502 TG triacyl M+NH4 RM0064416 C48 H96 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC TG(15:0_17:1_18:1CHO)+NH4_1 TG(15:0_17:1_18:1CHO)+NH4 TG(50:2CHO)+NH4 1 862.7494305 19.36896491 TG aldehyde M+NH4 - - - C53 H100 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) PC(17:1_20:4)+Na_1 PC(17:1_20:4)+Na PC(37:5)+Na 1 816.5513785 9.720531598 PC diacyl M+Na RM0001068 C45 H80 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(P-18:0_18:2)+H PE(P-18:0_18:2)+H PE(P-36:2)+H 1 728.5588685 15.47902409 PE alkenyl-acyl M+H RM0092659 C41 H79 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(19:1_15:0_18:0CHO)+NH4 TG(19:1_15:0_18:0CHO)+NH4 TG(52:1CHO)+NH4 1 892.7963805 19.75435452 TG aldehyde M+NH4 - - - C55 H106 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PE(P-18:0_20:5)+H PE(P-18:0_20:5)+H PE(P-38:5)+H 1 750.5432185 13.81721572 PE alkenyl-acyl M+H RM0055321 C43 H77 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(20:4_18:0COOH)+H PC(20:4_18:0COOH)+H PC(38:4COOH)+H 1 840.5749135 7.167705887 PC carboxylic M+H - - - C46 H83 N1 O10 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(9:0_15:0_17:0)+NH4 TG(9:0_15:0_17:0)+NH4 TG(41:0)+NH4 1 726.6606155 19.95672008 TG triacyl M+NH4 - - - C44 H88 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC PC(20:1COOH_17:3)+H PC(20:1COOH_17:3)+H PC(37:4COOH)+H 1 826.5592635 5.665693967 PC carboxylic M+H - - - C45 H81 N1 O10 P1 CC=CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_14:1_17:1)+NH4 TG(15:0_14:1_17:1)+NH4 TG(46:2)+NH4 1 792.7075655 20.40674358 TG triacyl M+NH4 RM0016357 C49 H94 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC DG(18:1_20:3)+NH4 DG(18:1_20:3)+NH4 DG(38:4)+NH4 1 662.5718005 16.34303453 DG diacyl M+NH4 RM0035676 C41 H76 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC DG(19:1_20:5)+NH4_2 DG(19:1_20:5)+NH4 DG(39:6)+NH4 1 672.5561505 15.39798889 DG diacyl M+NH4 - - - C42 H74 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Hex1Cer(t17:0_21:1)+H Hex1Cer(t17:0_21:1)+H Hex1Cer(t38:1)+H 1 772.6297105 15.32158166 Hex1Cer t-Ceramide monosaccharides M+H - - - C44 H86 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCC=CC)O TG(16:0_17:0_20:0)+NH4 TG(16:0_17:0_20:0)+NH4 TG(53:0)+NH4 1 894.8484155 21.57522769 TG triacyl M+NH4 RM0117117 C56 H112 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC DG(18:1_17:2)+NH4 DG(18:1_17:2)+NH4 DG(35:3)+NH4 1 622.5405005 15.19228715 DG diacyl M+NH4 RM0035371 C38 H72 N1 O5 CC=CC=CCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC DG(18:2_20:3)+NH4 DG(18:2_20:3)+NH4 DG(38:5)+NH4 1 660.5561505 15.12792115 DG diacyl M+NH4 RM0034465 C41 H74 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(17:0_18:0CHO_17:1)+NH4 TG(17:0_18:0CHO_17:1)+NH4 TG(52:1CHO)+NH4 1 892.7963805 19.95464243 TG aldehyde M+NH4 - - - C55 H106 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(15:0_16:0_18:1)+NH4 TG(15:0_16:0_18:1)+NH4 TG(49:1)+NH4 1 836.7701655 21.02330015 TG triacyl M+NH4 RM0062045 C52 H102 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC TG(16:1_17:1_16:3)+NH4 TG(16:1_17:1_16:3)+NH4 TG(49:5)+NH4 1 828.7075655 20.17846436 TG triacyl M+NH4 - - - C52 H94 N1 O6 CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(21:0_18:1_19:1)+Na TG(21:0_18:1_19:1)+Na TG(58:2)+Na 1 965.8507615 21.68044643 TG triacyl M+Na - - - C61 H114 Na1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCC TG(5:0_17:0_18:1)+NH4_2 TG(5:0_17:0_18:1)+NH4 TG(40:1)+NH4 1 710.6293155 19.4722245 TG triacyl M+NH4 - - - C43 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC DG(19:1_20:4)+NH4_2 DG(19:1_20:4)+NH4 DG(39:5)+NH4 1 674.5718005 16.36196208 DG diacyl M+NH4 - - - C42 H76 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC SM(d13:1_27:0)+H SM(d13:1_27:0)+H SM(d40:1)+H 1 787.6687525 16.42043554 SM acyl M+H - - - C45 H92 N2 O6 P1 CCCCCCCCC=CC(O)C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C) TG(15:1_17:1_18:4)+NH4 TG(15:1_17:1_18:4)+NH4 TG(50:6)+NH4 1 840.7075655 20.04884019 TG triacyl M+NH4 RM0017017 C53 H94 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC Hex1Cer(t18:1_26:0)+H Hex1Cer(t18:1_26:0)+H Hex1Cer(t44:1)+H 1 856.7236105 18.61959739 Hex1Cer t-Ceramide monosaccharides M+H RM0185854 C50 H98 N1 O9 CCCCCCCCCCCCC=CC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)O DG(16:0_20:4)+NH4_2 DG(16:0_20:4)+NH4 DG(36:4)+NH4 1 634.5405005 15.21552296 DG diacyl M+NH4 RM0134345 C39 H72 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(18:3_18:4)+H PE(18:3_18:4)+H PE(36:7)+H 1 734.4755335 6.891961679 PE diacyl M+H RM0002098 C41 H69 N1 O8 P1 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(18:2_18:2)+Na_2 PE(18:2_18:2)+Na PE(36:4)+Na 1 762.5044285 8.947058451 PE diacyl M+Na RM0008639 C41 H74 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PC(19:1_18:2)+Na PC(19:1_18:2)+Na PC(37:3)+Na 1 820.5826785 13.04895932 PC diacyl M+Na RM0104145 C45 H84 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_16:1_17:1)+NH4 TG(15:0_16:1_17:1)+NH4 TG(48:2)+NH4 1 820.7388655 20.69297092 TG triacyl M+NH4 RM0098661 C51 H98 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:1_20:3_20:5)+NH4 TG(18:1_20:3_20:5)+NH4 TG(58:9)+NH4 1 946.7858155 20.49813897 TG triacyl M+NH4 RM0113280 C61 H104 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(18:0_10:2CHO)+H PE(18:0_10:2CHO)+H PE(28:2CHO)+H 1 646.4078485 4.505413977 PE aldehyde M+H - - - C33 H61 N1 O9 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC=CC(=O))COP(=O)(O)OCCN PC(10:1COOH_26:4)+H PC(10:1COOH_26:4)+H PC(36:5COOH)+H 1 810.5279635 4.890664778 PC carboxylic M+H - - - C44 H77 N1 O10 P1 CC=CC=CC=CC=CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(11:0_15:0_17:1)+NH4 TG(11:0_15:0_17:1)+NH4 TG(43:1)+NH4 1 752.6762655 20.14619447 TG triacyl M+NH4 RM0062539 C46 H90 N1 O6 CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(6:0_17:1_18:1)+NH4 TG(6:0_17:1_18:1)+NH4 TG(41:2)+NH4 1 722.6293155 19.24463254 TG triacyl M+NH4 RM0177959 C44 H84 N1 O6 CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(13:0_15:0_15:0)+NH4 TG(13:0_15:0_15:0)+NH4 TG(43:0)+NH4 1 754.6919155 20.3645469 TG triacyl M+NH4 RM0069002 C46 H92 N1 O6 CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC TG(26:0_19:1_18:3)+NH4 TG(26:0_19:1_18:3)+NH4 TG(63:4)+NH4 1 1026.942315 21.80561473 TG triacyl M+NH4 - - - C66 H124 N1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC TG(17:1_17:1_18:2CHO)+NH4 TG(17:1_17:1_18:2CHO)+NH4 TG(52:4CHO)+NH4 1 886.7494305 19.51464174 TG aldehyde M+NH4 - - - C55 H100 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC(=O) TG(12:0_17:1_20:5)+NH4 TG(12:0_17:1_20:5)+NH4 TG(49:6)+NH4 1 826.6919155 19.90806374 TG triacyl M+NH4 RM0066857 C52 H92 N1 O6 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(8:0_17:1_18:1)+NH4 TG(8:0_17:1_18:1)+NH4 TG(43:2)+NH4 1 750.6606155 19.86526007 TG triacyl M+NH4 - - - C46 H88 N1 O6 CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(19:3COOH_18:3)+H PC(19:3COOH_18:3)+H PC(37:6COOH)+H 1 822.5279635 4.449518509 PC carboxylic M+H - - - C45 H77 N1 O10 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(17:1_18:1_19:1)+NH4_1 TG(17:1_18:1_19:1)+NH4 TG(54:3)+NH4 1 902.8171155 20.63161687 TG triacyl M+NH4 - - - C57 H108 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(18:1_18:3_20:5)+NH4 TG(18:1_18:3_20:5)+NH4 TG(56:9)+NH4 1 918.7545155 20.1880297 TG triacyl M+NH4 RM0070871 C59 H100 N1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(P-19:1_18:1)+H_1 PE(P-19:1_18:1)+H PE(P-37:2)+H 1 742.5745185 15.83009454 PE alkenyl-acyl M+H - - - C42 H81 N1 O7 P1 CC=CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN DG(20:4_20:5)+NH4_1 DG(20:4_20:5)+NH4 DG(40:9)+NH4 1 680.5248505 11.89792055 DG diacyl M+NH4 RM0034581 C43 H70 N1 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC DG(18:1_18:1)+Na DG(18:1_18:1)+Na DG(36:2)+Na 1 643.5271965 17.01584204 DG diacyl M+Na RM0033995 C39 H72 Na1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(16:0_17:0_18:0)+NH4 TG(16:0_17:0_18:0)+NH4 TG(51:0)+NH4 1 866.8171155 21.40277074 TG triacyl M+NH4 RM0022669 C54 H108 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC TG(15:1_17:1_18:2)+NH4 TG(15:1_17:1_18:2)+NH4 TG(50:4)+NH4 1 844.7388655 20.57175687 TG triacyl M+NH4 RM0114150 C53 H98 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PC(19:1_17:0)+Na PC(19:1_17:0)+Na PC(36:1)+Na 1 810.5983285 15.62262425 PC diacyl M+Na RM0181285 C44 H86 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:1_20:4)+Na PE(18:1_20:4)+Na PE(38:5)+Na 1 788.5200785 8.550481665 PE diacyl M+Na RM0001489 C43 H76 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(5:0_18:1_19:1)+NH4 TG(5:0_18:1_19:1)+NH4 TG(42:2)+NH4 1 736.6449655 19.58667791 TG triacyl M+NH4 - - - C45 H86 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(5:0_16:1_20:5)+NH4 TG(5:0_16:1_20:5)+NH4 TG(41:6)+NH4 1 714.5667155 16.14257779 TG triacyl M+NH4 - - - C44 H76 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:1_18:2_20:5)+NH4_1 TG(18:1_18:2_20:5)+NH4 TG(56:8)+NH4 1 920.7701655 20.44414406 TG triacyl M+NH4 RM0061683 C59 H102 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(12:0_14:0_16:0)+NH4_1 TG(12:0_14:0_16:0)+NH4 TG(42:0)+NH4 1 740.6762655 20.33338435 TG triacyl M+NH4 RM0067478 C45 H90 N1 O6 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC TG(14:0_17:1_20:5)+NH4 TG(14:0_17:1_20:5)+NH4 TG(51:6)+NH4 1 854.7232155 20.3067805 TG triacyl M+NH4 RM0069073 C54 H96 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC AcCa(13:1)+H AcCa(13:1)+H AcCa(13:1)+H 1 356.2795355 1.17744629 AcCa Fatty acyl carnitines M+H RM0154143 C20 H38 N1 O4 CC=CCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PC(18:2_17:1)+Na PC(18:2_17:1)+Na PC(35:3)+Na 1 792.5513785 10.58704304 PC diacyl M+Na RM0025431 C43 H80 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:0_20:5)+H PE(18:0_20:5)+H PE(38:5)+H 1 766.5381335 12.58554482 PE diacyl M+H RM0043840 C43 H77 N1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(14:1_15:1_18:3)+NH4 TG(14:1_15:1_18:3)+NH4 TG(47:5)+NH4 1 800.6762655 19.66437685 TG triacyl M+NH4 RM0016464 C50 H90 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC=CC PC(28:4_10:2CHO)+H PC(28:4_10:2CHO)+H PC(38:6CHO)+H 1 820.5486985 4.865780733 PC aldehyde M+H - - - C46 H79 N1 O9 P1 CC=CC=CC=CC=CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C DG(18:2_20:4)+NH4_1 DG(18:2_20:4)+NH4 DG(38:6)+NH4 1 658.5405005 13.7040274 DG diacyl M+NH4 RM0033561 C41 H72 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(5:0_15:0_17:1)+NH4_2 TG(5:0_15:0_17:1)+NH4 TG(37:1)+NH4 1 668.5823655 17.99456411 TG triacyl M+NH4 - - - C40 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC PE(P-19:0_20:4)+H_1 PE(P-19:0_20:4)+H PE(P-39:4)+H 1 766.5745185 15.62283531 PE alkenyl-acyl M+H RM0169129 C44 H81 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(15:0_17:1)+Na PC(15:0_17:1)+Na PC(32:1)+Na 1 754.5357285 10.59067496 PC diacyl M+Na RM0036654 C40 H78 N1 Na1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:0_20:4)+H_1 PE(18:0_20:4)+H PE(38:4)+H 1 768.5537835 14.21458402 PE diacyl M+H RM0134782 C43 H79 N1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(15:0_18:1)+Na PC(15:0_18:1)+Na PC(33:1)+Na 1 768.5513785 11.02959103 PC diacyl M+Na RM0000544 C41 H80 N1 Na1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(9:0_15:0_18:1)+NH4 TG(9:0_15:0_18:1)+NH4 TG(42:1)+NH4 1 738.6606155 19.79476681 TG triacyl M+NH4 - - - C45 H88 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC TG(14:0_18:2_20:5)+NH4 TG(14:0_18:2_20:5)+NH4 TG(52:7)+NH4 1 866.7232155 20.09750728 TG triacyl M+NH4 RM0072800 C55 H96 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(17:1_17:1_18:1CHO)+NH4_1 TG(17:1_17:1_18:1CHO)+NH4 TG(52:3CHO)+NH4 1 888.7650805 19.62197275 TG aldehyde M+NH4 - - - C55 H102 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) TG(15:0_18:1_18:3)+NH4 TG(15:0_18:1_18:3)+NH4 TG(51:4)+NH4 1 858.7545155 20.64676406 TG triacyl M+NH4 RM0134308 C54 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(18:1_20:4)+H DG(18:1_20:4)+H DG(38:5)+H 1 643.5296015 17.01637339 DG diacyl M+H RM0034180 C41 H71 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(20:4_21:0)+H PE(20:4_21:0)+H PE(41:4)+H 1 810.6007335 16.7099707 PE diacyl M+H RM0001231 C46 H85 N1 O8 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(35:1_19:0CHO)+NH4 TG(35:1_19:0CHO)+NH4 TG(54:1CHO)+NH4 1 920.8276805 19.74889365 TG aldehyde M+NH4 - - - C57 H110 N1 O7 CCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCC(=O) AcCa(17:0)+H_2 AcCa(17:0)+H AcCa(17:0)+H 1 414.3577855 3.233186788 AcCa Fatty acyl carnitines M+H 145720489 RM0154058 C24 H48 N1 O4 CCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(13:0_14:1_15:1)+NH4 TG(13:0_14:1_15:1)+NH4 TG(42:2)+NH4 1 736.6449655 19.46543646 TG triacyl M+NH4 RM0110463 C45 H86 N1 O6 CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(17:0_17:1_18:4)+NH4 TG(17:0_17:1_18:4)+NH4 TG(52:5)+NH4 1 870.7545155 20.65342861 TG triacyl M+NH4 RM0107847 C55 H100 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC TG(26:0_19:1_18:2)+NH4 TG(26:0_19:1_18:2)+NH4 TG(63:3)+NH4 1 1028.957965 21.95454703 TG triacyl M+NH4 - - - C66 H126 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC AcCa(15:1)+H AcCa(15:1)+H AcCa(15:1)+H 1 384.3108355 1.70492381 AcCa Fatty acyl carnitines M+H RM0154162 C22 H42 N1 O4 CC=CCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(17:1_17:1_16:3)+NH4_1 TG(17:1_17:1_16:3)+NH4 TG(50:5)+NH4 1 842.7232155 20.36857874 TG triacyl M+NH4 - - - C53 H96 N1 O6 CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC Hex1Cer(d17:1_26:1)+H Hex1Cer(d17:1_26:1)+H Hex1Cer(d43:2)+H 1 824.6973955 18.37085617 Hex1Cer Ceramide monosaccharides M+H RM0015549 C49 H94 N1 O8 CCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CC)O TG(7:0_15:0_17:1)+NH4 TG(7:0_15:0_17:1)+NH4 TG(39:1)+NH4 1 696.6136655 18.9287287 TG triacyl M+NH4 - - - C42 H82 N1 O6 CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC PE(P-19:0_20:4)+H_2 PE(P-19:0_20:4)+H PE(P-39:4)+H 1 766.5745185 16.00867691 PE alkenyl-acyl M+H RM0169129 C44 H81 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(17:1_18:3)+Na_2 PC(17:1_18:3)+Na PC(35:4)+Na 1 790.5357285 9.411412046 PC diacyl M+Na RM0097695 C43 H78 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C Hex1Cer(d18:2_24:0)+H_2 Hex1Cer(d18:2_24:0)+H Hex1Cer(d42:2)+H 1 810.6817455 17.90008601 Hex1Cer Ceramide monosaccharides M+H RM0047158 C48 H92 N1 O8 CCCCCCCCCCCC=CC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O TG(17:1_17:1_16:3)+NH4_2 TG(17:1_17:1_16:3)+NH4 TG(50:5)+NH4 1 842.7232155 20.29969556 TG triacyl M+NH4 - - - C53 H96 N1 O6 CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(O-16:1_18:1_5:0)+NH4 TG(O-16:1_18:1_5:0)+NH4 TG(O-39:2)+NH4 1 680.6187505 18.83706543 TG alkyl-acyl M+NH4 - - - C42 H82 N1 O5 CC=CCCCCCCCCCCCCCOCC(COC(=O)CCCC)OC(=O)CCCCCCCCCCCCCCC=CC TG(6:0_15:0_17:1)+NH4 TG(6:0_15:0_17:1)+NH4 TG(38:1)+NH4 1 682.5980155 18.6449696 TG triacyl M+NH4 - - - C41 H80 N1 O6 CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:0CHO_17:1_19:1)+NH4_2 TG(18:0CHO_17:1_19:1)+NH4 TG(54:2CHO)+NH4 1 918.8120305 19.92561529 TG aldehyde M+NH4 - - - C57 H108 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) AcCa(19:1)+H AcCa(19:1)+H AcCa(19:1)+H 1 440.3734355 3.666095041 AcCa Fatty acyl carnitines M+H RM0154089 C26 H50 N1 O4 CC=CCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C DG(18:1_20:5)+H DG(18:1_20:5)+H DG(38:6)+H 1 641.5139515 14.48177622 DG diacyl M+H RM0012583 C41 H69 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Hex1Cer(t17:0_22:1)+H Hex1Cer(t17:0_22:1)+H Hex1Cer(t39:1)+H 1 786.6453605 16.10954384 Hex1Cer t-Ceramide monosaccharides M+H RM0028028 C45 H88 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCC=CC)O PC(18:3_20:2CHO)+H PC(18:3_20:2CHO)+H PC(38:5CHO)+H 1 822.5643485 6.558632674 PC aldehyde M+H - - - C46 H81 N1 O9 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C DG(20:1_20:4)+NH4 DG(20:1_20:4)+NH4 DG(40:5)+NH4 1 688.5874505 16.73975889 DG diacyl M+NH4 RM0034525 C43 H78 N1 O5 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC=CC AcCa(22:0)+H AcCa(22:0)+H AcCa(22:0)+H 1 484.4360355 5.925802796 AcCa Fatty acyl carnitines M+H 71464577 RM0153896 C29 H58 N1 O4 CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(18:1_18:1_18:2CHO)+NH4 TG(18:1_18:1_18:2CHO)+NH4 TG(54:4CHO)+NH4 1 914.7807305 19.83787356 TG aldehyde M+NH4 - - - C57 H104 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC(=O) TG(18:0CHO_18:1_18:2)+NH4 TG(18:0CHO_18:1_18:2)+NH4 TG(54:3CHO)+NH4 1 916.7963805 19.908282 TG aldehyde M+NH4 - - - C57 H106 N1 O7 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PE(22:0_18:2)+H PE(22:0_18:2)+H PE(40:2)+H 1 800.6163835 17.4865344 PE diacyl M+H RM0002045 C45 H87 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN Hex1Cer(d17:1_23:1)+H Hex1Cer(d17:1_23:1)+H Hex1Cer(d40:2)+H 1 782.6504455 16.77463152 Hex1Cer Ceramide monosaccharides M+H - - - C46 H88 N1 O8 CCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCC=CC)O TG(18:4_20:4_20:5)+H TG(18:4_20:4_20:5)+H TG(58:13)+H 1 921.6966665 19.39634711 TG triacyl M+H RM0069257 C61 H93 O6 CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(16:0_18:1_18:1CHO)+NH4 TG(16:0_18:1_18:1CHO)+NH4 TG(52:2CHO)+NH4 1 890.7807305 19.91978219 TG aldehyde M+NH4 - - - C55 H104 N1 O7 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) TG(15:0_14:1_20:5)+NH4 TG(15:0_14:1_20:5)+NH4 TG(49:6)+NH4 1 826.6919155 19.75810297 TG triacyl M+NH4 RM0117483 C52 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(16:0_18:1)+Na PC(16:0_18:1)+Na PC(34:1)+Na 1 782.5670285 13.10571457 PC diacyl M+Na RM0090134 C42 H82 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(18:3_20:5)+NH4 DG(18:3_20:5)+NH4 DG(38:8)+NH4 1 654.5092005 10.96733592 DG diacyl M+NH4 RM0033939 C41 H68 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(21:0_17:1_17:1)+NH4 TG(21:0_17:1_17:1)+NH4 TG(55:2)+NH4 1 918.8484155 21.45773311 TG triacyl M+NH4 RM0118012 C58 H112 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCC DG(17:1_17:2)+NH4 DG(17:1_17:2)+NH4 DG(34:3)+NH4 1 608.5248505 14.56051838 DG diacyl M+NH4 RM0033934 C37 H70 N1 O5 CC=CC=CCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC=CC PC(20:5_19:4)+H_1 PC(20:5_19:4)+H PC(39:9)+H 1 814.5381335 7.57701717 PC diacyl M+H - - - C47 H77 N1 O8 P1 CC=CC=CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(16:0CHO_17:1_18:1)+NH4 TG(16:0CHO_17:1_18:1)+NH4 TG(51:2CHO)+NH4 1 876.7650805 19.7646495 TG aldehyde M+NH4 - - - C54 H102 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC(=O) PE(16:0_20:4)+H PE(16:0_20:4)+H PE(36:4)+H 1 740.5224835 11.65255922 PE diacyl M+H RM0134803 C41 H75 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(17:0_17:1)+Na PC(17:0_17:1)+Na PC(34:1)+Na 1 782.5670285 13.62381216 PC diacyl M+Na RM0025585 C42 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C LPE(20:5)+H_1 LPE(20:5)+H LPE(20:5)+H 1 500.2771685 1.824202577 LPE monoacyl M+H RM0134462 C25 H43 N1 O7 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PC(18:2_18:2)+Na PC(18:2_18:2)+Na PC(36:4)+Na 1 804.5513785 9.640485156 PC diacyl M+Na RM0134908 C44 H80 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(15:0_18:3)+H PE(15:0_18:3)+H PE(33:3)+H 1 700.4911835 9.157986835 PE diacyl M+H RM0024692 C38 H71 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(20:4_20:0)+H PE(20:4_20:0)+H PE(40:4)+H 1 796.5850835 16.02281866 PE diacyl M+H RM0011711 C45 H83 N1 O8 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(19:1_18:2_20:5)+NH4 TG(19:1_18:2_20:5)+NH4 TG(57:8)+NH4 1 934.7858155 20.65762904 TG triacyl M+NH4 - - - C60 H104 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(20:0_17:1_19:1)+NH4 TG(20:0_17:1_19:1)+NH4 TG(56:2)+NH4 1 932.8640655 21.56257329 TG triacyl M+NH4 - - - C59 H114 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCC DG(17:1_18:2)+NH4 DG(17:1_18:2)+NH4 DG(35:3)+NH4 1 622.5405005 15.46695297 DG diacyl M+NH4 RM0033689 C38 H72 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC TG(17:0_26:0_17:1)+NH4 TG(17:0_26:0_17:1)+NH4 TG(60:1)+NH4 1 990.9423155 22.01565904 TG triacyl M+NH4 RM0064158 C63 H124 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC PE(18:2_20:0)+Na PE(18:2_20:0)+Na PE(38:2)+Na 1 794.5670285 15.38148035 PE diacyl M+Na RM0001998 C43 H82 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN AcCa(21:0)+H_1 AcCa(21:0)+H AcCa(21:0)+H 1 470.4203855 5.233314038 AcCa Fatty acyl carnitines M+H 145720493 RM0154011 C28 H56 N1 O4 CCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PC(16:1_18:1)+Na PC(16:1_18:1)+Na PC(34:2)+Na 1 780.5513785 10.81836745 PC diacyl M+Na RM0134945 C42 H80 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(21:0_18:2)+H PE(21:0_18:2)+H PE(39:2)+H 1 786.6007335 16.9094346 PE diacyl M+H RM0041559 C44 H85 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(15:1_16:1_17:1)+NH4_1 TG(15:1_16:1_17:1)+NH4 TG(48:3)+NH4 1 818.7232155 20.5436705 TG triacyl M+NH4 RM0086603 C51 H96 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(20:5_19:4)+H_2 PC(20:5_19:4)+H PC(39:9)+H 1 814.5381335 7.94307244 PC diacyl M+H - - - C47 H77 N1 O8 P1 CC=CC=CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(17:0_20:4)+H_1 PE(17:0_20:4)+H PE(37:4)+H 1 754.5381335 12.06102927 PE diacyl M+H RM0008623 C42 H77 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:0_14:1_16:1)+NH4_1 TG(15:0_14:1_16:1)+NH4 TG(45:2)+NH4 1 778.6919155 19.87092112 TG triacyl M+NH4 RM0063538 C48 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC=CC TG(17:1_17:1_18:2)+NH4_1 TG(17:1_17:1_18:2)+NH4 TG(52:4)+NH4 1 872.7701655 20.83621578 TG triacyl M+NH4 RM0065477 C55 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC DG(19:1_20:5)+Na DG(19:1_20:5)+Na DG(39:6)+Na 1 677.5115465 15.72263463 DG diacyl M+Na - - - C42 H70 Na1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(14:1_14:1_20:5)+NH4 TG(14:1_14:1_20:5)+NH4 TG(48:7)+NH4 1 810.6606155 18.88418026 TG triacyl M+NH4 RM0112272 C51 H88 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(21:0_19:1_20:4)+NH4 TG(21:0_19:1_20:4)+NH4 TG(60:5)+NH4 1 982.8797155 21.42092831 TG triacyl M+NH4 - - - C63 H116 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCCCCCCCCC AcCa(21:0)+H_2 AcCa(21:0)+H AcCa(21:0)+H 1 470.4203855 5.188197282 AcCa Fatty acyl carnitines M+H 145720493 RM0154011 C28 H56 N1 O4 CCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(6:0COOH_18:1_18:1)+Na TG(6:0COOH_18:1_18:1)+Na TG(42:2COOH)+Na 1 771.5745415 14.33770566 TG carboxylic M+Na - - - C45 H80 Na1 O8 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCC(=O)O TG(14:0_14:0_15:0)+NH4 TG(14:0_14:0_15:0)+NH4 TG(43:0)+NH4 1 754.6919155 20.50179238 TG triacyl M+NH4 RM0073411 C46 H92 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC Hex1Cer(t17:0_24:1)+H_2 Hex1Cer(t17:0_24:1)+H Hex1Cer(t41:1)+H 1 814.6766605 17.38111762 Hex1Cer t-Ceramide monosaccharides M+H RM0028048 C47 H92 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCC=CC)O PC(16:1_15:4CHO)+H PC(16:1_15:4CHO)+H PC(31:5CHO)+H 1 724.4547985 3.667137509 PC aldehyde M+H - - - C39 H67 N1 O9 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CC=CC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PC(30:5_10:2CHO)+H PC(30:5_10:2CHO)+H PC(40:7CHO)+H 1 846.5643485 6.259167084 PC aldehyde M+H - - - C48 H81 N1 O9 P1 CC=CC=CC=CC=CC=CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(P-17:0_18:1)+H PE(P-17:0_18:1)+H PE(P-35:1)+H 1 716.5588685 15.56805059 PE alkenyl-acyl M+H RM0055284 C40 H79 N1 O7 P1 CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(27:3_10:1COOH)+H PC(27:3_10:1COOH)+H PC(37:4COOH)+H 1 826.5592635 7.015201287 PC carboxylic M+H - - - C45 H81 N1 O10 P1 CC=CC=CC=CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(14:1_17:1_18:3)+NH4 TG(14:1_17:1_18:3)+NH4 TG(49:5)+NH4 1 828.7075655 20.13600298 TG triacyl M+NH4 RM0114847 C52 H94 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC=CC TG(19:1_20:5_20:5)+NH4_1 TG(19:1_20:5_20:5)+NH4 TG(59:11)+NH4 1 956.7701655 20.28184744 TG triacyl M+NH4 - - - C62 H102 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC LPE(17:1)+H_1 LPE(17:1)+H LPE(17:1)+H 1 466.2928185 3.017179564 LPE monoacyl M+H RM0007291 C22 H45 N1 O7 P1 CC=CCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PE(16:0_20:5)+H PE(16:0_20:5)+H PE(36:5)+H 1 738.5068335 10.09215184 PE diacyl M+H RM0044209 C41 H73 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(16:1_17:1_18:4)+NH4 TG(16:1_17:1_18:4)+NH4 TG(51:6)+NH4 1 854.7232155 20.17540871 TG triacyl M+NH4 RM0028126 C54 H96 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC PE(19:0_20:5)+H_1 PE(19:0_20:5)+H PE(39:5)+H 1 780.5537835 13.46876693 PE diacyl M+H RM0003074 C44 H79 N1 O8 P1 CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(16:1_18:3_20:5)+NH4 TG(16:1_18:3_20:5)+NH4 TG(54:9)+NH4 1 890.7232155 19.83743174 TG triacyl M+NH4 RM0080615 C57 H96 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(15:0_20:5)+H PE(15:0_20:5)+H PE(35:5)+H 1 724.4911835 8.625759745 PE diacyl M+H RM0001867 C40 H71 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:0_17:1_18:2)+NH4 TG(15:0_17:1_18:2)+NH4 TG(50:3)+NH4 1 846.7545155 20.75129751 TG triacyl M+NH4 RM0098769 C53 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PE(18:1_18:2)+H_1 PE(18:1_18:2)+H PE(36:3)+H 1 742.5381335 12.09411895 PE diacyl M+H RM0011593 C41 H77 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(16:0_18:0_17:1)+NH4 TG(16:0_18:0_17:1)+NH4 TG(51:1)+NH4 1 864.8014655 21.22021484 TG triacyl M+NH4 RM0110443 C54 H106 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC LPE(18:3)+H_1 LPE(18:3)+H LPE(18:3)+H 1 476.2771685 1.974125894 LPE monoacyl M+H RM0134465 C23 H43 N1 O7 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(17:0_17:1_18:1)+NH4_2 TG(17:0_17:1_18:1)+NH4 TG(52:2)+NH4 1 876.8014655 21.14954046 TG triacyl M+NH4 RM0070299 C55 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PE(P-20:0_18:1)+H PE(P-20:0_18:1)+H PE(P-38:1)+H 1 758.6058185 17.01239965 PE alkenyl-acyl M+H RM0134768 C43 H85 N1 O7 P1 CCCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(18:0CHO_17:1_18:1)+NH4_1 TG(18:0CHO_17:1_18:1)+NH4 TG(53:2CHO)+NH4 1 904.7963805 19.59508559 TG aldehyde M+NH4 - - - C56 H106 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PC(21:1COOH_15:2)+H PC(21:1COOH_15:2)+H PC(36:3COOH)+H 1 814.5592635 6.45349087 PC carboxylic M+H - - - C44 H81 N1 O10 P1 CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C PE(18:1_18:2)+H_2 PE(18:1_18:2)+H PE(36:3)+H 1 742.5381335 12.52781459 PE diacyl M+H RM0011593 C41 H77 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(24:0_17:1_19:1)+NH4 TG(24:0_17:1_19:1)+NH4 TG(60:2)+NH4 1 988.9266655 21.88163312 TG triacyl M+NH4 - - - C63 H122 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC TG(14:1_17:1_20:5)+NH4 TG(14:1_17:1_20:5)+NH4 TG(51:7)+NH4 1 852.7075655 19.92994525 TG triacyl M+NH4 RM0063615 C54 H94 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(27:0_18:1_18:1)+NH4_2 TG(27:0_18:1_18:1)+NH4 TG(63:2)+NH4 1 1030.973615 21.95176844 TG triacyl M+NH4 RM0115035 C66 H128 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(6:0COOH_17:1_18:1)+Na TG(6:0COOH_17:1_18:1)+Na TG(41:2COOH)+Na 1 757.5588915 12.18896045 TG carboxylic M+Na - - - C44 H78 Na1 O8 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCC(=O)O TG(15:0_18:1_18:2)+NH4 TG(15:0_18:1_18:2)+NH4 TG(51:3)+NH4 1 860.7701655 20.96944923 TG triacyl M+NH4 RM0025561 C54 H102 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(O-19:1_18:2)+H PE(O-19:1_18:2)+H PE(O-37:3)+H 1 742.5745185 14.84099502 PE alkyl-acyl M+H RM0182189 C42 H81 N1 O7 P1 CC=CCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(18:1_20:4_20:5)+NH4 TG(18:1_20:4_20:5)+NH4 TG(58:10)+NH4 1 944.7701655 20.26889519 TG triacyl M+NH4 RM0113702 C61 H102 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(15:0_17:1_18:1)+NH4_1 TG(15:0_17:1_18:1)+NH4 TG(50:2)+NH4 1 848.7701655 20.93522366 TG triacyl M+NH4 RM0114857 C53 H102 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC LPE(20:4)+H_1 LPE(20:4)+H LPE(20:4)+H 1 502.2928185 2.372753984 LPE monoacyl M+H RM0097815 C25 H45 N1 O7 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(CO)COP(=O)(O)OCCN PE(20:5_18:1)+H_1 PE(20:5_18:1)+H PE(38:6)+H 1 764.5224835 10.59825813 PE diacyl M+H RM0090268 C43 H75 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(17:1_18:1_18:2CHO)+NH4 TG(17:1_18:1_18:2CHO)+NH4 TG(53:4CHO)+NH4 1 900.7650805 19.68797424 TG aldehyde M+NH4 - - - C56 H102 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC(=O) PC(16:0_17:2)+Na PC(16:0_17:2)+Na PC(33:2)+Na 1 766.5357285 9.836940231 PC diacyl M+Na RM0024945 C41 H78 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C Hex1Cer(d17:1_24:1)+H_2 Hex1Cer(d17:1_24:1)+H Hex1Cer(d41:2)+H 1 796.6660955 17.37990087 Hex1Cer Ceramide monosaccharides M+H RM0014164 C47 H90 N1 O8 CCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCC=CC)O TG(16:1_17:1_20:5)+NH4 TG(16:1_17:1_20:5)+NH4 TG(53:7)+NH4 1 880.7388655 20.31913793 TG triacyl M+NH4 RM0157106 C56 H98 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC DG(20:5_20:5)+NH4 DG(20:5_20:5)+NH4 DG(40:10)+NH4 1 678.5092005 10.26998991 DG diacyl M+NH4 RM0033981 C43 H68 N1 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:1_19:4)+H PC(18:1_19:4)+H PC(37:5)+H 1 794.5694335 10.97487263 PC diacyl M+H RM0181366 C45 H81 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C Co(Q9)+NH4_2 Co(Q9)+NH4 Co(Q9)+NH4 1 812.6551355 19.15435112 Co Coenzyme Q M+NH4 5280473 C01967 RM0135423 C54 H86 N1 O4 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C PC(29:5_10:0COOH)+H_2 PC(29:5_10:0COOH)+H PC(39:5COOH)+H 1 852.5749135 6.038467281 PC carboxylic M+H - - - C47 H83 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C DG(18:1_18:3)+NH4_2 DG(18:1_18:3)+NH4 DG(36:4)+NH4 1 634.5405005 14.77192594 DG diacyl M+NH4 RM0134342 C39 H72 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(15:0_18:1_20:5)+NH4 TG(15:0_18:1_20:5)+NH4 TG(53:6)+NH4 1 882.7545155 20.50632404 TG triacyl M+NH4 RM0017296 C56 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC AcCa(16:1)+H_2 AcCa(16:1)+H AcCa(16:1)+H 1 398.3264855 2.04519096 AcCa Fatty acyl carnitines M+H RM0153934 C23 H44 N1 O4 CC=CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(22:0_18:1_20:2)+NH4 TG(22:0_18:1_20:2)+NH4 TG(60:3)+NH4 1 986.9110155 21.69616049 TG triacyl M+NH4 RM0110838 C63 H120 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC DG(19:1_20:3)+NH4 DG(19:1_20:3)+NH4 DG(39:4)+NH4 1 676.5874505 17.24856136 DG diacyl M+NH4 - - - C42 H78 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(18:3_20:3)+H PE(18:3_20:3)+H PE(38:6)+H 1 764.5224835 9.66720228 PE diacyl M+H RM0011565 C43 H75 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(14:1_15:1_17:1)+NH4_1 TG(14:1_15:1_17:1)+NH4 TG(46:3)+NH4 1 790.6919155 20.20936522 TG triacyl M+NH4 RM0112270 C49 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PE(P-17:0_20:3)+H PE(P-17:0_20:3)+H PE(P-37:3)+H 1 740.5588685 15.02745197 PE alkenyl-acyl M+H RM0092648 C42 H79 N1 O7 P1 CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(O-18:0_18:2)+H_1 PE(O-18:0_18:2)+H PE(O-36:2)+H 1 730.5745185 15.74257611 PE alkyl-acyl M+H RM0104525 C41 H81 N1 O7 P1 CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PE(14:0_16:0)+Na_1 PE(14:0_16:0)+Na PE(30:0)+Na 1 686.4731285 8.469485993 PE diacyl M+Na RM0134812 C35 H70 N1 Na1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN PC(21:4_6:1CHO)+H PC(21:4_6:1CHO)+H PC(27:5CHO)+H 1 668.3921985 2.067727981 PC aldehyde M+H - - - C35 H59 N1 O9 P1 CC=CC=CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(14:0_18:3_20:5)+NH4 TG(14:0_18:3_20:5)+NH4 TG(52:8)+NH4 1 864.7075655 19.79612316 TG triacyl M+NH4 RM0076464 C55 H94 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(20:5_17:1)+H_1 PE(20:5_17:1)+H PE(37:6)+H 1 750.5068335 9.144436294 PE diacyl M+H RM0001325 C42 H73 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(5:0_16:0_20:4)+NH4_1 TG(5:0_16:0_20:4)+NH4 TG(41:4)+NH4 1 718.5980155 17.88519516 TG triacyl M+NH4 - - - C44 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(20:4_19:0)+H_1 PE(20:4_19:0)+H PE(39:4)+H 1 782.5694335 14.88757885 PE diacyl M+H RM0098905 C44 H81 N1 O8 P1 CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(14:0_15:0_15:0)+NH4 TG(14:0_15:0_15:0)+NH4 TG(44:0)+NH4 1 768.7075655 20.59106533 TG triacyl M+NH4 RM0060637 C47 H94 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC DG(15:0_18:1)+NH4 DG(15:0_18:1)+NH4 DG(33:1)+NH4 1 598.5405005 16.06882721 DG diacyl M+NH4 RM0033654 C36 H72 N1 O5 CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(5:0_16:0_20:4)+NH4_2 TG(5:0_16:0_20:4)+NH4 TG(41:4)+NH4 1 718.5980155 17.95609256 TG triacyl M+NH4 - - - C44 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(O-20:0_18:2)+H PE(O-20:0_18:2)+H PE(O-38:2)+H 1 758.6058185 17.01751467 PE alkyl-acyl M+H RM0134728 C43 H85 N1 O7 P1 CCCCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(17:1_18:1_18:3)+NH4 TG(17:1_18:1_18:3)+NH4 TG(53:5)+NH4 1 884.7701655 20.69932288 TG triacyl M+NH4 RM0009359 C56 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(20:1COOH_17:2)+H PC(20:1COOH_17:2)+H PC(37:3COOH)+H 1 828.5749135 6.03601677 PC carboxylic M+H - - - C45 H83 N1 O10 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C PE(14:0_18:0)+Na PE(14:0_18:0)+Na PE(32:0)+Na 1 714.5044285 10.96778528 PE diacyl M+Na RM0043882 C37 H74 N1 Na1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN AcCa(15:0)+H AcCa(15:0)+H AcCa(15:0)+H 1 386.3264855 2.211608192 AcCa Fatty acyl carnitines M+H 145720488 RM0154017 C22 H44 N1 O4 CCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(15:0_17:1_20:5)+NH4 TG(15:0_17:1_20:5)+NH4 TG(52:6)+NH4 1 868.7388655 20.421062 TG triacyl M+NH4 RM0064745 C55 H98 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(18:2_18:1)+Na PE(18:2_18:1)+Na PE(36:3)+Na 1 764.5200785 10.53527354 PE diacyl M+Na RM0011593 C41 H76 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN DG(18:1_18:4)+NH4 DG(18:1_18:4)+NH4 DG(36:5)+NH4 1 632.5248505 13.50837964 DG diacyl M+NH4 RM0004950 C39 H70 N1 O5 CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC DG(16:1_18:1)+NH4_2 DG(16:1_18:1)+NH4 DG(34:2)+NH4 1 610.5405005 15.52295257 DG diacyl M+NH4 RM0033952 C37 H72 N1 O5 CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC DG(17:0_20:4)+NH4_2 DG(17:0_20:4)+NH4 DG(37:4)+NH4 1 648.5561505 15.87168504 DG diacyl M+NH4 RM0034812 C40 H74 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(P-18:0_20:3)+H PE(P-18:0_20:3)+H PE(P-38:3)+H 1 754.5745185 15.88628104 PE alkenyl-acyl M+H RM0017453 C43 H81 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(18:3_14:0)+H PE(18:3_14:0)+H PE(32:3)+H 1 686.4755335 8.462327463 PE diacyl M+H RM0001783 C37 H69 N1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(14:0_17:1_18:3)+NH4_1 TG(14:0_17:1_18:3)+NH4 TG(49:4)+NH4 1 830.7232155 20.44004801 TG triacyl M+NH4 RM0064428 C52 H96 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC=CC TG(5:0_15:0_17:1)+NH4_3 TG(5:0_15:0_17:1)+NH4 TG(37:1)+NH4 1 668.5823655 18.35328233 TG triacyl M+NH4 - - - C40 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(12:0_14:0_15:0)+NH4 TG(12:0_14:0_15:0)+NH4 TG(41:0)+NH4 1 726.6606155 20.12264754 TG triacyl M+NH4 RM0025391 C44 H88 N1 O6 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC BisMePE(16:0_18:1)+H BisMePE(16:0_18:1)+H BisMePE(34:1)+H 1 746.5694335 13.57727486 BisMePE diacyl M+H - - - C41 H81 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(OC)OCCNC TG(15:0_15:0_14:1)+NH4 TG(15:0_15:0_14:1)+NH4 TG(44:1)+NH4 1 766.6919155 20.27432478 TG triacyl M+NH4 RM0063545 C47 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC PC(19:1_20:4)+Na_2 PC(19:1_20:4)+Na PC(39:5)+Na 1 844.5826785 12.51841467 PC diacyl M+Na RM0000618 C47 H84 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_18:0CHO_17:1)+NH4_2 TG(15:0_18:0CHO_17:1)+NH4 TG(50:1CHO)+NH4 1 864.7650805 19.95483067 TG aldehyde M+NH4 - - - C53 H102 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PE(16:0_18:3)+H PE(16:0_18:3)+H PE(34:3)+H 1 714.5068335 10.72849336 PE diacyl M+H RM0001916 C39 H73 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PC(20:5_18:1CHO)+H PC(20:5_18:1CHO)+H PC(38:6CHO)+H 1 820.5486985 6.136569421 PC aldehyde M+H - - - C46 H79 N1 O9 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(O-19:0_18:1)+H PE(O-19:0_18:1)+H PE(O-37:1)+H 1 746.6058185 17.04667234 PE alkyl-acyl M+H RM0182182 C42 H85 N1 O7 P1 CCCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(36:1_18:0CHO)+NH4 TG(36:1_18:0CHO)+NH4 TG(54:1CHO)+NH4 1 920.8276805 20.15984991 TG aldehyde M+NH4 - - - C57 H110 N1 O7 CC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(13:1_13:1_15:1)+NH4_1 TG(13:1_13:1_15:1)+NH4 TG(41:3)+NH4 1 720.6136655 18.6650225 TG triacyl M+NH4 - - - C44 H82 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC PE(18:2_19:0)+Na PE(18:2_19:0)+Na PE(37:2)+Na 1 780.5513785 13.48437907 PE diacyl M+Na RM0002040 C42 H80 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(18:2_18:2)+H PE(18:2_18:2)+H PE(36:4)+H 1 740.5224835 10.30905854 PE diacyl M+H RM0008639 C41 H75 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PC(19:1_20:5)+Na_1 PC(19:1_20:5)+Na PC(39:6)+Na 1 842.5670285 10.57155179 PC diacyl M+Na - - - C47 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C LPE(17:1)+H_2 LPE(17:1)+H LPE(17:1)+H 1 466.2928185 2.79835642 LPE monoacyl M+H RM0007291 C22 H45 N1 O7 P1 CC=CCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PC(18:2CHO_10:2)+H PC(18:2CHO_10:2)+H PC(28:4CHO)+H 1 684.4234985 3.232469154 PC aldehyde M+H - - - C36 H63 N1 O9 P1 CC=CC=CCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_18:1_16:2)+NH4 TG(15:0_18:1_16:2)+NH4 TG(49:3)+NH4 1 832.7388655 20.4546714 TG triacyl M+NH4 RM0175610 C52 H98 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(5:0_17:1_19:1)+NH4_1 TG(5:0_17:1_19:1)+NH4 TG(41:2)+NH4 1 722.6293155 19.39721381 TG triacyl M+NH4 - - - C44 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(18:1_20:2)+H PE(18:1_20:2)+H PE(38:3)+H 1 770.5694335 14.3304399 PE diacyl M+H RM0099140 C43 H81 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PC(O-14:1_20:5)+H PC(O-14:1_20:5)+H PC(O-34:6)+H 1 736.5275685 12.4697037 PC alkyl-acyl M+H RM0051699 C42 H75 N1 O7 P1 CC=CCCCCCCCCCCCOC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(16:0_21:0)+Na PE(16:0_21:0)+Na PE(37:0)+Na 1 784.5826785 16.22253178 PE diacyl M+Na RM0001872 C42 H84 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN DG(18:2_18:3)+NH4 DG(18:2_18:3)+NH4 DG(36:5)+NH4 1 632.5248505 12.9353655 DG diacyl M+NH4 RM0035654 C39 H70 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC LPE(18:2)+H_1 LPE(18:2)+H LPE(18:2)+H 1 478.2928185 2.4590779 LPE monoacyl M+H RM0048672 C23 H45 N1 O7 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PC(16:1_20:3CHO)+Na PC(16:1_20:3CHO)+Na PC(36:4CHO)+Na 1 818.5306435 5.566580218 PC aldehyde M+Na - - - C44 H78 N1 Na1 O9 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PC(19:2_17:2COOH)+H PC(19:2_17:2COOH)+H PC(36:4COOH)+H 1 812.5436135 5.97322283 PC carboxylic M+H - - - C44 H79 N1 O10 P1 CC=CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(O-13:1_5:0_20:5)+H TG(O-13:1_5:0_20:5)+H TG(O-38:6)+H 1 641.5139515 14.45413713 TG alkyl-acyl M+H - - - C41 H69 O5 CC=CCCCCCCCCCCOCC(COC(=O)CCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(20:5_17:2)+H PC(20:5_17:2)+H PC(37:7)+H 1 790.5381335 8.422426707 PC diacyl M+H RM0171030 C45 H77 N1 O8 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_17:0_18:0)+NH4_1 TG(15:0_17:0_18:0)+NH4 TG(50:0)+NH4 1 852.8014655 21.2877679 TG triacyl M+NH4 RM0016586 C53 H106 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC DG(18:1_19:1)+Na DG(18:1_19:1)+Na DG(37:2)+Na 1 657.5428465 17.82365291 DG diacyl M+Na RM0163329 C40 H74 Na1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(18:1_19:1_21:1)+NH4 TG(18:1_19:1_21:1)+NH4 TG(58:3)+NH4 1 958.8797155 21.53585604 TG triacyl M+NH4 - - - C61 H116 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCC=CC PE(P-20:1_18:1)+H PE(P-20:1_18:1)+H PE(P-38:2)+H 1 756.5901685 16.48688106 PE alkenyl-acyl M+H RM0055456 C43 H83 N1 O7 P1 CC=CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(17:1_17:1_18:1)+NH4_1 TG(17:1_17:1_18:1)+NH4 TG(52:3)+NH4 1 874.7858155 21.63523485 TG triacyl M+NH4 RM0070452 C55 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(20:1_20:5_20:5)+NH4 TG(20:1_20:5_20:5)+NH4 TG(60:11)+NH4 1 970.7858155 20.42597418 TG triacyl M+NH4 RM0113763 C63 H104 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC=CC TG(23:0_19:1_18:2)+NH4 TG(23:0_19:1_18:2)+NH4 TG(60:3)+NH4 1 986.9110155 21.55419917 TG triacyl M+NH4 RM0176778 C63 H120 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCC PE(14:0_18:2)+H PE(14:0_18:2)+H PE(32:2)+H 1 688.4911835 9.585094188 PE diacyl M+H RM0044115 C37 H71 N1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PE(22:0_20:3)+H PE(22:0_20:3)+H PE(42:3)+H 1 826.6320335 17.7273436 PE diacyl M+H RM0028544 C47 H89 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(13:3CHO_18:0)+H PE(13:3CHO_18:0)+H PE(31:3CHO)+H 1 686.4391485 5.010269984 PE aldehyde M+H - - - C36 H65 N1 O9 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CC=CC=CC(=O))COP(=O)(O)OCCN PE(P-19:1_18:2)+H_1 PE(P-19:1_18:2)+H PE(P-37:3)+H 1 740.5588685 14.50793057 PE alkenyl-acyl M+H - - - C42 H79 N1 O7 P1 CC=CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PC(20:1CHO_18:3)+H_1 PC(20:1CHO_18:3)+H PC(38:4CHO)+H 1 824.5799985 6.693340548 PC aldehyde M+H - - - C46 H83 N1 O9 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(17:0_10:2CHO)+H PE(17:0_10:2CHO)+H PE(27:2CHO)+H 1 632.3921985 4.009497683 PE aldehyde M+H - - - C32 H59 N1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC=CC(=O))COP(=O)(O)OCCN TG(18:1_18:2_20:6)+NH4 TG(18:1_18:2_20:6)+NH4 TG(56:9)+NH4 1 918.7545155 19.80114647 TG triacyl M+NH4 - - - C59 H100 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CC=CC=CC=CC=CC=CC DG(20:3_20:5)+NH4 DG(20:3_20:5)+NH4 DG(40:8)+NH4 1 682.5405005 13.07058152 DG diacyl M+NH4 RM0034555 C43 H72 N1 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC BisMePE(18:2_18:2)+H BisMePE(18:2_18:2)+H BisMePE(36:4)+H 1 768.5537835 10.18700121 BisMePE diacyl M+H - - - C43 H79 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(OC)OCCNC PE(18:1_19:1)+H_1 PE(18:1_19:1)+H PE(37:2)+H 1 758.5694335 14.93888924 PE diacyl M+H RM0097460 C42 H81 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(14:1_16:1_17:1)+NH4 TG(14:1_16:1_17:1)+NH4 TG(47:3)+NH4 1 804.7075655 20.2892179 TG triacyl M+NH4 RM0063572 C50 H94 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PE(10:2CHO_18:0)+H PE(10:2CHO_18:0)+H PE(28:2CHO)+H 1 646.4078485 4.338638924 PE aldehyde M+H - - - C33 H61 N1 O9 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC=CC(=O))COP(=O)(O)OCCN DG(17:1_20:4)+NH4 DG(17:1_20:4)+NH4 DG(37:5)+NH4 1 646.5405005 14.66314788 DG diacyl M+NH4 RM0035242 C40 H72 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC BisMePE(14:0_18:2)+H BisMePE(14:0_18:2)+H BisMePE(32:2)+H 1 716.5224835 9.311616935 BisMePE diacyl M+H - - - C39 H75 N1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(OC)OCCNC PE(18:1_17:0)+Na PE(18:1_17:0)+Na PE(35:1)+Na 1 754.5357285 12.62022458 PE diacyl M+Na RM0028162 C40 H78 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(P-18:0_18:3)+H_1 PE(P-18:0_18:3)+H PE(P-36:3)+H 1 726.5432185 14.46326273 PE alkenyl-acyl M+H RM0055318 C41 H77 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(19:0_20:4)+H PE(19:0_20:4)+H PE(39:4)+H 1 782.5694335 15.22409626 PE diacyl M+H RM0098905 C44 H81 N1 O8 P1 CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(26:0_17:1_20:4)+NH4 TG(26:0_17:1_20:4)+NH4 TG(63:5)+NH4 1 1024.926665 21.68343214 TG triacyl M+NH4 RM0011544 C66 H122 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC PC(18:1_18:4)+Na_1 PC(18:1_18:4)+Na PC(36:5)+Na 1 802.5357285 8.701585076 PC diacyl M+Na RM0000624 C44 H78 N1 Na1 O8 P1 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(18:1_18:4)+Na_2 PC(18:1_18:4)+Na PC(36:5)+Na 1 802.5357285 8.724523345 PC diacyl M+Na RM0000624 C44 H78 N1 Na1 O8 P1 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:1_20:0)+Na PE(18:1_20:0)+Na PE(38:1)+Na 1 796.5826785 16.02379433 PE diacyl M+Na RM0001950 C43 H84 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(P-18:0_15:0)+H PE(P-18:0_15:0)+H PE(P-33:0)+H 1 690.5432185 15.54182977 PE alkenyl-acyl M+H 52925071 RM0055322 C38 H77 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(24:2_10:1)+H PE(24:2_10:1)+H PE(34:3)+H 1 714.5068335 10.99587019 PE diacyl M+H - - - C39 H73 N1 O8 P1 CC=CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(17:1_18:2_20:4)+NH4_1 TG(17:1_18:2_20:4)+NH4 TG(55:7)+NH4 1 908.7701655 20.62214431 TG triacyl M+NH4 RM0061511 C58 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(18:1_18:1_20:3CHO)+NH4_1 TG(18:1_18:1_20:3CHO)+NH4 TG(56:5CHO)+NH4 1 940.7963805 19.84952967 TG aldehyde M+NH4 - - - C59 H106 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC(=O) TG(19:1_20:2_20:5)+NH4 TG(19:1_20:2_20:5)+NH4 TG(59:8)+NH4 1 962.8171155 20.66602754 TG triacyl M+NH4 - - - C62 H108 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC=CC TG(15:0_16:0_17:0)+NH4 TG(15:0_16:0_17:0)+NH4 TG(48:0)+NH4 1 824.7701655 21.0884888 TG triacyl M+NH4 RM0020749 C51 H102 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC TG(16:1_20:5_20:5)+NH4 TG(16:1_20:5_20:5)+NH4 TG(56:11)+NH4 1 914.7232155 19.60181193 TG triacyl M+NH4 RM0064267 C59 H96 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(18:0_20:3)+H PE(18:0_20:3)+H PE(38:3)+H 1 770.5694335 15.05400628 PE diacyl M+H RM0001660 C43 H81 N1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(6:0COOH_18:2_18:2)+Na_2 TG(6:0COOH_18:2_18:2)+Na TG(42:4COOH)+Na 1 767.5432415 10.00388278 TG carboxylic M+Na - - - C45 H76 Na1 O8 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCC(=O)O PE(15:1_20:5)+H PE(15:1_20:5)+H PE(35:6)+H 1 722.4755335 7.538733835 PE diacyl M+H RM0001874 C40 H69 N1 O8 P1 CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:1_15:1_17:1)+NH4_1 TG(15:1_15:1_17:1)+NH4 TG(47:3)+NH4 1 804.7075655 20.45445475 TG triacyl M+NH4 RM0016979 C50 H94 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(15:0_18:1_18:4)+NH4 TG(15:0_18:1_18:4)+NH4 TG(51:5)+NH4 1 856.7388655 20.42952451 TG triacyl M+NH4 RM0028037 C54 H98 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(19:1_19:1_20:2)+NH4 TG(19:1_19:1_20:2)+NH4 TG(58:4)+NH4 1 956.8640655 21.38764927 TG triacyl M+NH4 - - - C61 H114 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC=CC TG(18:0CHO_18:1_19:1)+NH4_1 TG(18:0CHO_18:1_19:1)+NH4 TG(55:2CHO)+NH4 1 932.8276805 20.51382594 TG aldehyde M+NH4 - - - C58 H110 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(18:0CHO_18:1_18:1)+NH4_2 TG(18:0CHO_18:1_18:1)+NH4 TG(54:2CHO)+NH4 1 918.8120305 20.30440373 TG aldehyde M+NH4 - - - C57 H108 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PE(18:0_18:1)+Na PE(18:0_18:1)+Na PE(36:1)+Na 1 768.5513785 12.76390879 PE diacyl M+Na RM0134779 C41 H80 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(18:0_22:0_18:1)+NH4 TG(18:0_22:0_18:1)+NH4 TG(58:1)+NH4 1 962.9110155 21.84329565 TG triacyl M+NH4 RM0018661 C61 H120 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(14:1_15:1_16:3)+NH4 TG(14:1_15:1_16:3)+NH4 TG(45:5)+NH4 1 772.6449655 18.9160932 TG triacyl M+NH4 - - - C48 H86 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC PE(16:0_18:2)+H PE(16:0_18:2)+H PE(34:2)+H 1 716.5224835 12.02569779 PE diacyl M+H RM0011470 C39 H75 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN Cer(d17:1_22:1)+H_4 Cer(d17:1_22:1)+H Cer(d39:2)+H 1 606.5819705 17.40776351 Cer acylsphingosines M+H RM0122733 C39 H76 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC=CC)O TG(14:1_16:1_20:5)+NH4 TG(14:1_16:1_20:5)+NH4 TG(50:7)+NH4 1 838.6919155 19.58488879 TG triacyl M+NH4 RM0016366 C53 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC BisMePE(18:1_19:1)+H BisMePE(18:1_19:1)+H BisMePE(37:2)+H 1 786.6007335 15.08863003 BisMePE diacyl M+H - - - C44 H85 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(OC)OCCNC TG(18:0_18:0CHO_18:1)+NH4 TG(18:0_18:0CHO_18:1)+NH4 TG(54:1CHO)+NH4 1 920.8276805 20.30815289 TG aldehyde M+NH4 - - - C57 H110 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(20:3_20:4_20:5)+NH4_1 TG(20:3_20:4_20:5)+NH4 TG(60:12)+NH4 1 968.7701655 20.11344239 TG triacyl M+NH4 RM0110269 C63 H102 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(19:0_20:5)+H_2 PE(19:0_20:5)+H PE(39:5)+H 1 780.5537835 13.90260603 PE diacyl M+H RM0003074 C44 H79 N1 O8 P1 CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(18:0CHO_17:1_17:1)+NH4_2 TG(18:0CHO_17:1_17:1)+NH4 TG(52:2CHO)+NH4 1 890.7807305 20.2310469 TG aldehyde M+NH4 - - - C55 H104 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(6:0_18:1_18:2)+NH4 TG(6:0_18:1_18:2)+NH4 TG(42:3)+NH4 1 734.6293155 18.91204822 TG triacyl M+NH4 RM0073920 C45 H84 N1 O6 CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(20:4_20:4)+NH4_2 DG(20:4_20:4)+NH4 DG(40:8)+NH4 1 682.5405005 12.50386929 DG diacyl M+NH4 RM0134346 C43 H72 N1 O5 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(17:0_20:5CHO)+H PE(17:0_20:5CHO)+H PE(37:5CHO)+H 1 766.5017485 6.139076126 PE aldehyde M+H - - - C42 H73 N1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC(=O))COP(=O)(O)OCCN PE(20:5_15:0)+H_1 PE(20:5_15:0)+H PE(35:5)+H 1 724.4911835 8.956699416 PE diacyl M+H RM0001867 C40 H71 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(9:0_15:0_15:0)+NH4 TG(9:0_15:0_15:0)+NH4 TG(39:0)+NH4 1 698.6293155 19.34371351 TG triacyl M+NH4 - - - C42 H84 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC LPE(19:1)+H_1 LPE(19:1)+H LPE(19:1)+H 1 494.3241185 3.907512459 LPE monoacyl M+H RM0097955 C24 H49 N1 O7 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PE(20:5_18:1)+H_2 PE(20:5_18:1)+H PE(38:6)+H 1 764.5224835 10.16190269 PE diacyl M+H RM0090268 C43 H75 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN Hex1Cer(d17:1_22:1)+H Hex1Cer(d17:1_22:1)+H Hex1Cer(d39:2)+H 1 768.6347955 16.10221586 Hex1Cer Ceramide monosaccharides M+H RM0171567 C45 H86 N1 O8 CCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCC=CC)O PE(15:0_17:0)+H PE(15:0_17:0)+H PE(32:0)+H 1 692.5224835 12.91863856 PE diacyl M+H RM0001328 C37 H75 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(15:0_18:0CHO_18:1)+NH4_1 TG(15:0_18:0CHO_18:1)+NH4 TG(51:1CHO)+NH4 1 878.7807305 20.06653849 TG aldehyde M+NH4 - - - C54 H104 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(5:0_20:3_20:3)+NH4 TG(5:0_20:3_20:3)+NH4 TG(45:6)+NH4 1 770.6293155 18.03820302 TG triacyl M+NH4 - - - C48 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(18:1_18:4)+H PE(18:1_18:4)+H PE(36:5)+H 1 738.5068335 9.338406939 PE diacyl M+H RM0001181 C41 H73 N1 O8 P1 CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(P-18:0_18:3)+H_2 PE(P-18:0_18:3)+H PE(P-36:3)+H 1 726.5432185 14.16711146 PE alkenyl-acyl M+H RM0055318 C41 H77 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN DG(16:1_20:5)+NH4 DG(16:1_20:5)+NH4 DG(36:6)+NH4 1 630.5092005 11.96026619 DG diacyl M+NH4 RM0034373 C39 H68 N1 O5 CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(P-18:0_20:4)+H_2 PE(P-18:0_20:4)+H PE(P-38:4)+H 1 752.5588685 14.70888898 PE alkenyl-acyl M+H RM0017454 C43 H79 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(5:0_18:0_17:1)+NH4 TG(5:0_18:0_17:1)+NH4 TG(40:1)+NH4 1 710.6293155 19.63183935 TG triacyl M+NH4 - - - C43 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC TG(14:1_17:1_18:1)+NH4 TG(14:1_17:1_18:1)+NH4 TG(49:3)+NH4 1 832.7388655 20.63722947 TG triacyl M+NH4 RM0098295 C52 H98 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(5:0_18:1_17:2)+NH4_1 TG(5:0_18:1_17:2)+NH4 TG(40:3)+NH4 1 706.5980155 17.91004369 TG triacyl M+NH4 - - - C43 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(16:0_16:0)+Na_1 PE(16:0_16:0)+Na PE(32:0)+Na 1 714.5044285 10.72862823 PE diacyl M+Na 445468 C00350 RM0095704 C37 H74 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(6:0_17:1_18:1)+Na TG(6:0_17:1_18:1)+Na TG(41:2)+Na 1 727.5847115 19.24463254 TG triacyl M+Na RM0177959 C44 H80 Na1 O6 CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(18:1_19:3)+NH4 DG(18:1_19:3)+NH4 DG(37:4)+NH4 1 648.5561505 15.62689058 DG diacyl M+NH4 - - - C40 H74 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC=CC=CC=CC TG(18:0_16:1_20:1)+NH4 TG(18:0_16:1_20:1)+NH4 TG(54:2)+NH4 1 904.8327655 21.5676424 TG triacyl M+NH4 RM0112930 C57 H110 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC=CC PE(18:0_18:2)+H PE(18:0_18:2)+H PE(36:2)+H 1 744.5537835 14.52605556 PE diacyl M+H RM0001471 C41 H79 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(18:1_20:3_20:4)+NH4 TG(18:1_20:3_20:4)+NH4 TG(58:8)+NH4 1 948.8014655 20.69931707 TG triacyl M+NH4 RM0113264 C61 H106 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(18:1_20:5_20:5)+Na TG(18:1_20:5_20:5)+Na TG(58:11)+Na 1 947.7099115 20.07791316 TG triacyl M+Na RM0066062 C61 H96 Na1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(17:0_18:1)+H PE(17:0_18:1)+H PE(35:1)+H 1 732.5537835 14.96968829 PE diacyl M+H RM0028162 C40 H79 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(18:1_18:1_20:5)+NH4 TG(18:1_18:1_20:5)+NH4 TG(56:7)+NH4 1 922.7858155 20.68679765 TG triacyl M+NH4 RM0113226 C59 H104 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(16:0_18:1_19:1)+NH4_1 TG(16:0_18:1_19:1)+NH4 TG(53:2)+NH4 1 890.8171155 21.42806376 TG triacyl M+NH4 RM0115883 C56 H108 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PC(19:1_19:1)+Na_2 PC(19:1_19:1)+Na PC(38:2)+Na 1 836.6139785 15.61989605 PC diacyl M+Na RM0001025 C46 H88 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(18:2_20:4)+Na_2 PC(18:2_20:4)+Na PC(38:6)+Na 1 828.5513785 8.798634127 PC diacyl M+Na RM0171068 C46 H80 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(22:0_18:1_20:5)+NH4 TG(22:0_18:1_20:5)+NH4 TG(60:6)+NH4 1 980.8640655 21.34402839 TG triacyl M+NH4 RM0104327 C63 H114 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC PE(17:1_15:0)+H PE(17:1_15:0)+H PE(32:1)+H 1 690.5068335 11.75489566 PE diacyl M+H RM0011409 C37 H73 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(26:0_18:2)+H PE(26:0_18:2)+H PE(44:2)+H 1 856.6789835 19.21017463 PE diacyl M+H RM0102660 C49 H95 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(20:2_19:1)+H PE(20:2_19:1)+H PE(39:3)+H 1 784.5850835 15.59961447 PE diacyl M+H - - - C44 H83 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(18:0CHO_17:1_18:1)+NH4_2 TG(18:0CHO_17:1_18:1)+NH4 TG(53:2CHO)+NH4 1 904.7963805 20.05211995 TG aldehyde M+NH4 - - - C56 H106 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(8:0_18:0_17:1)+NH4 TG(8:0_18:0_17:1)+NH4 TG(43:1)+NH4 1 752.6762655 19.81437974 TG triacyl M+NH4 - - - C46 H90 N1 O6 CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC DG(20:4_20:5)+NH4_2 DG(20:4_20:5)+NH4 DG(40:9)+NH4 1 680.5248505 11.40243612 DG diacyl M+NH4 RM0034581 C43 H70 N1 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(15:0CHO_17:1_18:1)+NH4 TG(15:0CHO_17:1_18:1)+NH4 TG(50:2CHO)+NH4 1 862.7494305 19.60805301 TG aldehyde M+NH4 - - - C53 H100 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC(=O) TG(18:0_27:0_17:1)+NH4 TG(18:0_27:0_17:1)+NH4 TG(62:1)+NH4 1 1018.973615 22.08122585 TG triacyl M+NH4 RM0115206 C65 H128 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(15:1_15:1_16:3)+NH4_1 TG(15:1_15:1_16:3)+NH4 TG(46:5)+NH4 1 786.6606155 19.42624804 TG triacyl M+NH4 - - - C49 H88 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC PE(19:1_18:2)+H PE(19:1_18:2)+H PE(37:3)+H 1 756.5537835 13.83744703 PE diacyl M+H RM0044057 C42 H79 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(P-18:0_18:1)+H_1 PE(P-18:0_18:1)+H PE(P-36:1)+H 1 730.5745185 16.58716154 PE alkenyl-acyl M+H RM0134766 C41 H81 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(17:1_18:1CHO_18:2)+NH4 TG(17:1_18:1CHO_18:2)+NH4 TG(53:4CHO)+NH4 1 900.7650805 19.29975464 TG aldehyde M+NH4 - - - C56 H102 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) PE(18:0_18:3)+H_1 PE(18:0_18:3)+H PE(36:3)+H 1 742.5381335 13.32711907 PE diacyl M+H RM0001967 C41 H77 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN DG(18:4_20:5)+NH4 DG(18:4_20:5)+NH4 DG(38:9)+NH4 1 652.4935505 9.410163874 DG diacyl M+NH4 RM0035232 C41 H66 N1 O5 CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC Cer(d17:1_22:1)+H_5 Cer(d17:1_22:1)+H Cer(d39:2)+H 1 606.5819705 16.10698571 Cer acylsphingosines M+H RM0122733 C39 H76 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC=CC)O LPE(19:1)+H_2 LPE(19:1)+H LPE(19:1)+H 1 494.3241185 3.770328306 LPE monoacyl M+H RM0097955 C24 H49 N1 O7 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(13:1_13:1_15:1)+NH4_2 TG(13:1_13:1_15:1)+NH4 TG(41:3)+NH4 1 720.6136655 18.84610558 TG triacyl M+NH4 - - - C44 H82 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC PE(18:1_20:3)+H PE(18:1_20:3)+H PE(38:4)+H 1 768.5537835 12.75119454 PE diacyl M+H RM0001990 C43 H79 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PC(17:1_20:4)+Na_2 PC(17:1_20:4)+Na PC(37:5)+Na 1 816.5513785 9.074007774 PC diacyl M+Na RM0001068 C45 H80 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C LPE(20:4)+H_2 LPE(20:4)+H LPE(20:4)+H 1 502.2928185 2.189066348 LPE monoacyl M+H RM0097815 C25 H45 N1 O7 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(CO)COP(=O)(O)OCCN PE(17:0_20:4)+H_2 PE(17:0_20:4)+H PE(37:4)+H 1 754.5381335 12.52903608 PE diacyl M+H RM0008623 C42 H77 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:1_15:1_18:4)+NH4 TG(15:1_15:1_18:4)+NH4 TG(48:6)+NH4 1 812.6762655 19.57611967 TG triacyl M+NH4 RM0106537 C51 H90 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC PE(P-17:0_18:2)+H_1 PE(P-17:0_18:2)+H PE(P-35:2)+H 1 714.5432185 14.51387706 PE alkenyl-acyl M+H RM0092647 C40 H77 N1 O7 P1 CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PE(20:5_24:0)+H PE(20:5_24:0)+H PE(44:5)+H 1 850.6320335 17.64767728 PE diacyl M+H RM0011495 C49 H89 N1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(16:0_18:0CHO_18:1)+NH4 TG(16:0_18:0CHO_18:1)+NH4 TG(52:1CHO)+NH4 1 892.7963805 20.3056792 TG aldehyde M+NH4 - - - C55 H106 N1 O7 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PC(17:1_20:5)+Na_2 PC(17:1_20:5)+Na PC(37:6)+Na 1 814.5357285 8.207218793 PC diacyl M+Na RM0104001 C45 H78 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(15:1_20:4)+H PE(15:1_20:4)+H PE(35:5)+H 1 724.4911835 8.290973297 PE diacyl M+H RM0097580 C40 H71 N1 O8 P1 CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:0_14:1_16:1)+NH4_2 TG(15:0_14:1_16:1)+NH4 TG(45:2)+NH4 1 778.6919155 20.14867016 TG triacyl M+NH4 RM0063538 C48 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC=CC PE(17:0_17:0)+H_1 PE(17:0_17:0)+H PE(34:0)+H 1 720.5537835 15.20619981 PE diacyl M+H 46891875 RM0135078 C39 H79 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(18:1_18:3)+H_1 PE(18:1_18:3)+H PE(36:4)+H 1 740.5224835 10.79721627 PE diacyl M+H RM0001279 C41 H75 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(17:0_18:3)+H PE(17:0_18:3)+H PE(35:3)+H 1 728.5224835 11.55963116 PE diacyl M+H RM0003078 C40 H75 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN DG(17:0_20:3)+NH4 DG(17:0_20:3)+NH4 DG(37:3)+NH4 1 650.5718005 16.74702775 DG diacyl M+NH4 RM0033982 C40 H76 N1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC=CC LPE(20:3)+H_1 LPE(20:3)+H LPE(20:3)+H 1 504.3084685 2.815958492 LPE monoacyl M+H RM0012621 C25 H47 N1 O7 P1 CC=CC=CC=CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(15:0_16:0_17:1)+NH4 TG(15:0_16:0_17:1)+NH4 TG(48:1)+NH4 1 822.7545155 20.95539305 TG triacyl M+NH4 RM0073428 C51 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC PC(16:1_20:5)+Na_1 PC(16:1_20:5)+Na PC(36:6)+Na 1 800.5200785 7.571447042 PC diacyl M+Na RM0103865 C44 H76 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:1_19:0)+Na PE(18:1_19:0)+Na PE(37:1)+Na 1 782.5670285 15.20864458 PE diacyl M+Na RM0103853 C42 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(17:1_17:1_20:2CHO)+NH4_1 TG(17:1_17:1_20:2CHO)+NH4 TG(54:4CHO)+NH4 1 914.7807305 20.18482366 TG aldehyde M+NH4 - - - C57 H104 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC=CC(=O) TG(19:1_19:1_19:1)+NH4 TG(19:1_19:1_19:1)+NH4 TG(57:3)+NH4 1 944.8640655 21.73236249 TG triacyl M+NH4 RM0117082 C60 H114 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(P-18:1_18:2)+H PE(P-18:1_18:2)+H PE(P-36:3)+H 1 726.5432185 13.36248349 PE alkenyl-acyl M+H RM0008681 C41 H77 N1 O7 P1 CC=CCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(15:0_18:0CHO_18:1)+NH4_2 TG(15:0_18:0CHO_18:1)+NH4 TG(51:1CHO)+NH4 1 878.7807305 19.84351578 TG aldehyde M+NH4 - - - C54 H104 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PE(P-19:1_20:3)+H_1 PE(P-19:1_20:3)+H PE(P-39:4)+H 1 766.5745185 14.95254239 PE alkenyl-acyl M+H - - - C44 H81 N1 O7 P1 CC=CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(P-18:0_17:0)+H PE(P-18:0_17:0)+H PE(P-35:0)+H 1 718.5745185 16.97275784 PE alkenyl-acyl M+H 52925075 RM0055308 C40 H81 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(18:0CHO_17:1_17:1)+NH4_3 TG(18:0CHO_17:1_17:1)+NH4 TG(52:2CHO)+NH4 1 890.7807305 20.16118662 TG aldehyde M+NH4 - - - C55 H104 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(18:0_20:5_20:5)+NH4 TG(18:0_20:5_20:5)+NH4 TG(58:10)+NH4 1 944.7701655 20.46191384 TG triacyl M+NH4 RM0069227 C61 H102 N1 O6 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(17:0_20:5)+H_2 PE(17:0_20:5)+H PE(37:5)+H 1 752.5224835 11.30748092 PE diacyl M+H RM0028171 C42 H75 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN PE(22:0_20:4)+H PE(22:0_20:4)+H PE(42:4)+H 1 824.6163835 16.99983602 PE diacyl M+H RM0001230 C47 H87 N1 O8 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(18:0_22:0)+Na PE(18:0_22:0)+Na PE(40:0)+Na 1 826.6296285 17.72922534 PE diacyl M+Na RM0001951 C45 H90 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(P-17:0_18:2)+H_2 PE(P-17:0_18:2)+H PE(P-35:2)+H 1 714.5432185 14.60090788 PE alkenyl-acyl M+H RM0092647 C40 H77 N1 O7 P1 CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(16:0_18:1_19:1)+NH4_2 TG(16:0_18:1_19:1)+NH4 TG(53:2)+NH4 1 890.8171155 21.29286619 TG triacyl M+NH4 RM0115883 C56 H108 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(18:3_17:1)+H_1 PE(18:3_17:1)+H PE(35:4)+H 1 726.5068335 10.04102725 PE diacyl M+H RM0011549 C40 H73 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(14:0_16:1)+H PE(14:0_16:1)+H PE(30:1)+H 1 662.4755335 9.073089806 PE diacyl M+H RM0001324 C35 H69 N1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(6:1COOH_18:1_18:1)+Na TG(6:1COOH_18:1_18:1)+Na TG(42:3COOH)+Na 1 769.5588915 13.62454575 TG carboxylic M+Na - - - C45 H78 Na1 O8 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCC=CC(=O)O PE(18:0_20:4)+H_2 PE(18:0_20:4)+H PE(38:4)+H 1 768.5537835 13.6239434 PE diacyl M+H RM0134782 C43 H79 N1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(13:0_15:0_17:0)+NH4 TG(13:0_15:0_17:0)+NH4 TG(45:0)+NH4 1 782.7232155 20.66824395 TG triacyl M+NH4 RM0109802 C48 H96 N1 O6 CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC TG(13:1_14:1_14:1)+NH4 TG(13:1_14:1_14:1)+NH4 TG(41:3)+NH4 1 720.6136655 18.48894331 TG triacyl M+NH4 - - - C44 H82 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC DG(19:1_18:2)+NH4_2 DG(19:1_18:2)+NH4 DG(37:3)+NH4 1 650.5718005 16.64067775 DG diacyl M+NH4 RM0035202 C40 H76 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(18:1_19:1_19:1)+NH4_1 TG(18:1_19:1_19:1)+NH4 TG(56:3)+NH4 1 930.8484155 21.39275392 TG triacyl M+NH4 - - - C59 H112 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(14:0_17:0CHO_18:1)+NH4 TG(14:0_17:0CHO_18:1)+NH4 TG(49:1CHO)+NH4 1 850.7494305 19.75931482 TG aldehyde M+NH4 - - - C52 H100 N1 O7 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC(=O) TG(19:1_2:0_20:5)+NH4 TG(19:1_2:0_20:5)+NH4 TG(41:6)+NH4 1 714.5667155 16.65731478 TG triacyl M+NH4 - - - C44 H76 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC DG(18:1_20:4)+NH4_2 DG(18:1_20:4)+NH4 DG(38:5)+NH4 1 660.5561505 15.26139719 DG diacyl M+NH4 RM0034180 C41 H74 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(P-18:1_18:1)+H_1 PE(P-18:1_18:1)+H PE(P-36:2)+H 1 728.5588685 15.01376356 PE alkenyl-acyl M+H RM0134783 C41 H79 N1 O7 P1 CC=CCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(14:1_15:1_20:5)+NH4 TG(14:1_15:1_20:5)+NH4 TG(49:7)+NH4 1 824.6762655 19.3730362 TG triacyl M+NH4 RM0063559 C52 H90 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:0_20:5)+Na PC(18:0_20:5)+Na PC(38:5)+Na 1 830.5670285 11.86441951 PC diacyl M+Na RM0025394 C46 H82 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(O-17:1_22:1)+H PE(O-17:1_22:1)+H PE(O-39:2)+H 1 772.6214685 17.55317823 PE alkyl-acyl M+H RM0182140 C44 H87 N1 O7 P1 CC=CCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN DG(18:1_19:4)+NH4 DG(18:1_19:4)+NH4 DG(37:5)+NH4 1 646.5405005 14.81600627 DG diacyl M+NH4 - - - C40 H72 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC=CC=CC=CC=CC PE(12:1CHO_24:2)+H PE(12:1CHO_24:2)+H PE(36:3CHO)+H 1 756.5173985 6.248525044 PE aldehyde M+H - - - C41 H75 N1 O9 P1 CC=CC=CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC(=O))COP(=O)(O)OCCN Ch+H-H2O Ch+H-H2O Ch+H-H2O 1 369.3515765 21.45570699 Ch cholesterol M+H-H2O 5997 C00187 RM0135639 C27 H45 OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C TG(18:0CHO_17:1_18:1)+NH4_3 TG(18:0CHO_17:1_18:1)+NH4 TG(53:2CHO)+NH4 1 904.7963805 20.19430376 TG aldehyde M+NH4 - - - C56 H106 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(17:0_18:1_19:1)+NH4 TG(17:0_18:1_19:1)+NH4 TG(54:2)+NH4 1 904.8327655 21.33147326 TG triacyl M+NH4 RM0163254 C57 H110 N1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(15:0_18:0CHO_18:1)+NH4_3 TG(15:0_18:0CHO_18:1)+NH4 TG(51:1CHO)+NH4 1 878.7807305 20.20147282 TG aldehyde M+NH4 - - - C54 H104 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PE(21:0_18:1)+H PE(21:0_18:1)+H PE(39:1)+H 1 788.6163835 17.70986947 PE diacyl M+H RM0043797 C44 H87 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(15:0_18:0CHO_18:1)+NH4_4 TG(15:0_18:0CHO_18:1)+NH4 TG(51:1CHO)+NH4 1 878.7807305 19.60210289 TG aldehyde M+NH4 - - - C54 H104 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) PE(21:0_20:3)+H PE(21:0_20:3)+H PE(41:3)+H 1 812.6163835 17.17506276 PE diacyl M+H RM0001433 C46 H87 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(12:0_18:0)+H PE(12:0_18:0)+H PE(30:0)+H 1 664.4911835 11.1682449 PE diacyl M+H RM0098974 C35 H71 N1 O8 P1 CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(14:0_16:0)+Na_2 PE(14:0_16:0)+Na PE(30:0)+Na 1 686.4731285 8.666523461 PE diacyl M+Na RM0134812 C35 H70 N1 Na1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN PC(4:0_21:5CHO)+H PC(4:0_21:5CHO)+H PC(25:5CHO)+H 1 640.3608985 2.230758364 PC aldehyde M+H - - - C33 H55 N1 O9 P1 CCCC(=O)OC(COC(=O)CCCCCCCCCC=CC=CC=CC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(20:5_26:0)+H PE(20:5_26:0)+H PE(46:5)+H 1 878.6633335 18.55355098 PE diacyl M+H RM0001525 C51 H93 N1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(12:0_14:0_16:0)+NH4_2 TG(12:0_14:0_16:0)+NH4 TG(42:0)+NH4 1 740.6762655 20.4074235 TG triacyl M+NH4 RM0067478 C45 H90 N1 O6 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC DG(20:0_18:2)+NH4 DG(20:0_18:2)+NH4 DG(38:2)+NH4 1 666.6031005 18.38356081 DG diacyl M+NH4 RM0035667 C41 H80 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCC PE(P-19:0_18:1)+H_1 PE(P-19:0_18:1)+H PE(P-37:1)+H 1 744.5901685 17.17546936 PE alkenyl-acyl M+H RM0182419 C42 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(18:1_20:1_20:5)+NH4 TG(18:1_20:1_20:5)+NH4 TG(58:7)+NH4 1 950.8171155 20.92506018 TG triacyl M+NH4 RM0069286 C61 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC=CC PC(18:2_18:0)+Na PC(18:2_18:0)+Na PC(36:2)+Na 1 808.5826785 13.72491596 PC diacyl M+Na RM0097845 C44 H84 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C TG(14:0_13:1_15:1)+NH4 TG(14:0_13:1_15:1)+NH4 TG(42:2)+NH4 1 736.6449655 19.67661727 TG triacyl M+NH4 - - - C45 H86 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC=CC TG(17:1_18:1_20:3)+NH4 TG(17:1_18:1_20:3)+NH4 TG(55:5)+NH4 1 912.8014655 20.92857747 TG triacyl M+NH4 RM0009392 C58 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(O-19:2_20:4)+H PE(O-19:2_20:4)+H PE(O-39:6)+H 1 764.5588685 13.46175994 PE alkyl-acyl M+H - - - C44 H79 N1 O7 P1 CC=CC=CCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(19:1_20:3_20:5)+NH4 TG(19:1_20:3_20:5)+NH4 TG(59:9)+NH4 1 960.8014655 20.70838056 TG triacyl M+NH4 - - - C62 H106 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(20:5_14:0)+H PE(20:5_14:0)+H PE(34:5)+H 1 710.4755335 7.930807852 PE diacyl M+H RM0001318 C39 H69 N1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN PE(P-19:1_20:3)+H_2 PE(P-19:1_20:3)+H PE(P-39:4)+H 1 766.5745185 15.25840902 PE alkenyl-acyl M+H - - - C44 H81 N1 O7 P1 CC=CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(18:3_19:0)+H PE(18:3_19:0)+H PE(37:3)+H 1 756.5537835 14.20001062 PE diacyl M+H RM0024801 C42 H79 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN DAP(O-14:0_O-6:0)+H DAP(O-14:0_O-6:0)+H DAP(O-20:0)+H 1 447.3468865 8.467377706 DAP dialkyl M+H - - - C28 H47 O4 CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCCC PC(9:0COOH_25:1)+H PC(9:0COOH_25:1)+H PC(34:1COOH)+H 1 790.5592635 5.899603604 PC carboxylic M+H - - - C42 H81 N1 O10 P1 CC=CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C Cer(d17:1_18:0)+H Cer(d17:1_18:0)+H Cer(d35:1)+H 1 552.5350205 14.79120271 Cer acylsphingosines M+H 9985066 RM0138632 C35 H70 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCC)O TG(17:0_18:0_21:0)+NH4 TG(17:0_18:0_21:0)+NH4 TG(56:0)+NH4 1 936.8953655 21.79094376 TG triacyl M+NH4 RM0065203 C59 H118 N1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC PE(20:5_27:0)+H PE(20:5_27:0)+H PE(47:5)+H 1 892.6789835 18.80822195 PE diacyl M+H RM0098954 C52 H95 N1 O8 P1 CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(11:2CHO_28:3)+H PC(11:2CHO_28:3)+H PC(39:5CHO)+H 1 836.5799985 8.207692086 PC aldehyde M+H - - - C47 H83 N1 O9 P1 CC=CC=CC=CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(O-18:0_18:3)+H PE(O-18:0_18:3)+H PE(O-36:3)+H 1 728.5588685 14.25356817 PE alkyl-acyl M+H RM0055930 C41 H79 N1 O7 P1 CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(P-19:1_20:4)+H PE(P-19:1_20:4)+H PE(P-39:5)+H 1 764.5588685 13.48175329 PE alkenyl-acyl M+H - - - C44 H79 N1 O7 P1 CC=CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN DG(19:1_20:5)+H DG(19:1_20:5)+H DG(39:6)+H 1 655.5296015 15.72263463 DG diacyl M+H - - - C42 H71 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(16:1_18:2_20:5)+NH4 TG(16:1_18:2_20:5)+NH4 TG(54:8)+NH4 1 892.7388655 20.10912797 TG triacyl M+NH4 RM0061018 C57 H98 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(17:1_20:5_20:5)+Na TG(17:1_20:5_20:5)+Na TG(57:11)+Na 1 933.6942615 19.96654643 TG triacyl M+Na RM0070477 C60 H94 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:4COOH_16:0)+H PC(18:4COOH_16:0)+H PC(34:4COOH)+H 1 784.5123135 4.07821133 PC carboxylic M+H - - - C42 H75 N1 O10 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(17:1_17:1_17:1)+NH4_1 TG(17:1_17:1_17:1)+NH4 TG(51:3)+NH4 1 860.7701655 20.19385721 TG triacyl M+NH4 RM0065465 C54 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC Cer(d17:1_24:2)+H Cer(d17:1_24:2)+H Cer(d41:3)+H 1 632.5976205 18.17896383 Cer acylsphingosines M+H RM0184878 C41 H78 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC=CC=CC)O TG(17:1_20:5_20:5)+NH4_2 TG(17:1_20:5_20:5)+NH4 TG(57:11)+NH4 1 928.7388655 19.86476551 TG triacyl M+NH4 RM0070477 C60 H98 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(20:5_20:2CHO)+H PC(20:5_20:2CHO)+H PC(40:7CHO)+H 1 846.5643485 6.677404813 PC aldehyde M+H - - - C48 H81 N1 O9 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(22:0_19:1_18:3)+NH4 TG(22:0_19:1_18:3)+NH4 TG(59:4)+NH4 1 970.8797155 21.50994145 TG triacyl M+NH4 - - - C62 H116 N1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(19:1_20:5_20:5)+NH4_2 TG(19:1_20:5_20:5)+NH4 TG(59:11)+NH4 1 956.7701655 20.34428448 TG triacyl M+NH4 - - - C62 H102 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(16:0_17:1_18:1)+NH4_1 TG(16:0_17:1_18:1)+NH4 TG(51:2)+NH4 1 862.7858155 21.10151039 TG triacyl M+NH4 RM0064507 C54 H104 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(16:2_18:1)+Na_1 PE(16:2_18:1)+Na PE(34:3)+Na 1 736.4887785 8.322904058 PE diacyl M+Na RM0001585 C39 H72 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(17:1_18:1_20:4)+NH4 TG(17:1_18:1_20:4)+NH4 TG(55:6)+NH4 1 910.7858155 20.76235212 TG triacyl M+NH4 RM0114980 C58 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(P-18:0_20:1)+H PE(P-18:0_20:1)+H PE(P-38:1)+H 1 758.6058185 17.71441286 PE alkenyl-acyl M+H RM0017457 C43 H85 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN DG(P-17:3_26:1)+NH4 DG(P-17:3_26:1)+NH4 DG(P-43:4)+NH4 1 716.6551355 19.71745502 DG alkenyl-acyl M+NH4 - - - C46 H86 N1 O4 CC=CC=CC=CCCCCCCCCC=COCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CC TG(18:1_18:1_20:3CHO)+NH4_2 TG(18:1_18:1_20:3CHO)+NH4 TG(56:5CHO)+NH4 1 940.7963805 19.37266039 TG aldehyde M+NH4 - - - C59 H106 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC(=O) TG(16:1_18:1_20:5)+NH4 TG(16:1_18:1_20:5)+NH4 TG(54:7)+NH4 1 894.7545155 20.40803316 TG triacyl M+NH4 RM0110759 C57 H100 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(20:5_19:2)+H_1 PE(20:5_19:2)+H PE(39:7)+H 1 776.5224835 9.577777403 PE diacyl M+H - - - C44 H75 N1 O8 P1 CC=CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN AcCa(17:2)+H AcCa(17:2)+H AcCa(17:2)+H 1 410.3264855 1.928481261 AcCa Fatty acyl carnitines M+H RM0154090 C24 H44 N1 O4 CC=CC=CCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(7:0_15:0_18:1)+NH4 TG(7:0_15:0_18:1)+NH4 TG(40:1)+NH4 1 710.6293155 19.15570059 TG triacyl M+NH4 - - - C43 H84 N1 O6 CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PE(20:3_20:0)+H PE(20:3_20:0)+H PE(40:3)+H 1 798.6007335 16.57049039 PE diacyl M+H RM0001338 C45 H85 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(9:0_15:0_16:0)+NH4 TG(9:0_15:0_16:0)+NH4 TG(40:0)+NH4 1 712.6449655 19.78908598 TG triacyl M+NH4 - - - C43 H86 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC PE(O-19:0_18:2)+H PE(O-19:0_18:2)+H PE(O-37:2)+H 1 744.5901685 16.04853626 PE alkyl-acyl M+H RM0182183 C42 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(18:1_18:2_21:6)+NH4 TG(18:1_18:2_21:6)+NH4 TG(57:9)+NH4 1 932.7701655 20.10526813 TG triacyl M+NH4 - - - C60 H102 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCC=CC=CC=CC=CC=CC=CC PE(16:0_19:0)+Na PE(16:0_19:0)+Na PE(35:0)+Na 1 756.5513785 14.5052211 PE diacyl M+Na RM0001912 C40 H80 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(18:1_18:1_19:1)+NH4_1 TG(18:1_18:1_19:1)+NH4 TG(55:3)+NH4 1 916.8327655 24.35399586 TG triacyl M+NH4 RM0117100 C58 H110 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(18:1_10:2CHO)+H PE(18:1_10:2CHO)+H PE(28:3CHO)+H 1 644.3921985 3.836038215 PE aldehyde M+H - - - C33 H59 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC=CC(=O))COP(=O)(O)OCCN PE(P-18:1_18:1)+H_2 PE(P-18:1_18:1)+H PE(P-36:2)+H 1 728.5588685 14.85260414 PE alkenyl-acyl M+H RM0134783 C41 H79 N1 O7 P1 CC=CCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(20:5_19:1)+H_1 PE(20:5_19:1)+H PE(39:6)+H 1 778.5381335 11.05640504 PE diacyl M+H - - - C44 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(17:0_20:5_20:5)+NH4 TG(17:0_20:5_20:5)+NH4 TG(57:10)+NH4 1 930.7545155 20.18809347 TG triacyl M+NH4 RM0065319 C60 H100 N1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(19:2_16:0)+Na PE(19:2_16:0)+Na PE(35:2)+Na 1 752.5200785 9.840876158 PE diacyl M+Na - - - C40 H76 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PE(20:5_20:1)+H PE(20:5_20:1)+H PE(40:6)+H 1 792.5537835 12.53257403 PE diacyl M+H RM0001610 C45 H79 N1 O8 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(18:2_16:1)+Na PE(18:2_16:1)+Na PE(34:3)+Na 1 736.4887785 8.008524726 PE diacyl M+Na RM0087626 C39 H72 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(16:1_17:1_18:3)+NH4 TG(16:1_17:1_18:3)+NH4 TG(51:5)+NH4 1 856.7388655 20.52359835 TG triacyl M+NH4 RM0064889 C54 H98 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC=CC TG(14:0_15:0_17:0)+NH4 TG(14:0_15:0_17:0)+NH4 TG(46:0)+NH4 1 796.7388655 20.88015732 TG triacyl M+NH4 RM0004973 C49 H98 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC TG(15:0_17:0_17:0)+NH4_1 TG(15:0_17:0_17:0)+NH4 TG(49:0)+NH4 1 838.7858155 21.24244626 TG triacyl M+NH4 RM0020551 C52 H104 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC PE(18:3_20:0)+H PE(18:3_20:0)+H PE(38:3)+H 1 770.5694335 15.46669011 PE diacyl M+H RM0001297 C43 H81 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PC(22:0COOH_13:1)+H PC(22:0COOH_13:1)+H PC(35:1COOH)+H 1 804.5749135 5.905910137 PC carboxylic M+H - - - C43 H83 N1 O10 P1 CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_17:0_18:1)+NH4_1 TG(15:0_17:0_18:1)+NH4 TG(50:1)+NH4 1 850.7858155 21.08392927 TG triacyl M+NH4 RM0098697 C53 H104 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PE(18:0_18:1)+H PE(18:0_18:1)+H PE(36:1)+H 1 746.5694335 15.83662986 PE diacyl M+H RM0134779 C41 H81 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(13:1_15:1_17:1)+NH4 TG(13:1_15:1_17:1)+NH4 TG(45:3)+NH4 1 776.6762655 20.08131668 TG triacyl M+NH4 - - - C48 H90 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(34:6_4:0CHO)+H PC(34:6_4:0CHO)+H PC(38:6CHO)+H 1 820.5486985 5.323615037 PC aldehyde M+H - - - C46 H79 N1 O9 P1 CC=CC=CC=CC=CC=CC=CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(16:0_20:3)+Na PE(16:0_20:3)+Na PE(36:3)+Na 1 764.5200785 9.664063655 PE diacyl M+Na RM0134802 C41 H76 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(16:2_18:1)+Na_2 PE(16:2_18:1)+Na PE(34:3)+Na 1 736.4887785 8.283672754 PE diacyl M+Na RM0001585 C39 H72 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(20:5_16:1)+H_1 PE(20:5_16:1)+H PE(36:6)+H 1 736.4911835 8.319077553 PE diacyl M+H RM0001902 C41 H71 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(7:0_15:0_15:0)+NH4 TG(7:0_15:0_15:0)+NH4 TG(37:0)+NH4 1 670.5980155 18.60520804 TG triacyl M+NH4 - - - C40 H80 N1 O6 CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC TG(14:1_15:1_18:2)+NH4 TG(14:1_15:1_18:2)+NH4 TG(47:4)+NH4 1 802.6919155 19.98603944 TG triacyl M+NH4 RM0063560 C50 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PE(O-19:1_20:4)+H PE(O-19:1_20:4)+H PE(O-39:5)+H 1 766.5745185 15.26739457 PE alkyl-acyl M+H RM0182190 C44 H81 N1 O7 P1 CC=CCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(18:3_20:3)+Na PC(18:3_20:3)+Na PC(38:6)+Na 1 828.5513785 9.068448636 PC diacyl M+Na RM0000029 C46 H80 N1 Na1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:1_18:3)+H_2 PE(18:1_18:3)+H PE(36:4)+H 1 740.5224835 10.4542316 PE diacyl M+H RM0001279 C41 H75 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(22:0_19:1_20:4)+NH4 TG(22:0_19:1_20:4)+NH4 TG(61:5)+NH4 1 996.8953655 21.5417817 TG triacyl M+NH4 - - - C64 H118 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(5:0_15:0_16:0)+NH4 TG(5:0_15:0_16:0)+NH4 TG(36:0)+NH4 1 656.5823655 18.49063969 TG triacyl M+NH4 - - - C39 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC TG(17:0_18:1_18:1)+NH4 TG(17:0_18:1_18:1)+NH4 TG(53:2)+NH4 1 890.8171155 21.64788398 TG triacyl M+NH4 RM0028237 C56 H108 N1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(18:2_20:4)+NH4_2 DG(18:2_20:4)+NH4 DG(38:6)+NH4 1 658.5405005 14.24976559 DG diacyl M+NH4 RM0033561 C41 H72 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(15:0_15:0)+H PE(15:0_15:0)+H PE(30:0)+H 1 664.4911835 10.35630201 PE diacyl M+H 9546807 RM0135076 C35 H71 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(18:0_18:3)+H_2 PE(18:0_18:3)+H PE(36:3)+H 1 742.5381335 12.93745727 PE diacyl M+H RM0001967 C41 H77 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(19:1_20:3)+H PE(19:1_20:3)+H PE(39:4)+H 1 782.5694335 14.42799571 PE diacyl M+H - - - C44 H81 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(15:0_18:0CHO_18:1)+NH4_5 TG(15:0_18:0CHO_18:1)+NH4 TG(51:1CHO)+NH4 1 878.7807305 20.37822851 TG aldehyde M+NH4 - - - C54 H104 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(15:0_11:1_20:5)+NH4 TG(15:0_11:1_20:5)+NH4 TG(46:6)+NH4 1 784.6449655 18.77958674 TG triacyl M+NH4 - - - C49 H86 N1 O6 CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(15:0_21:4)+H PC(15:0_21:4)+H PC(36:4)+H 1 782.5694335 11.70799915 PC diacyl M+H - - - C44 H81 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_17:1_18:1CHO)+NH4_2 TG(15:0_17:1_18:1CHO)+NH4 TG(50:2CHO)+NH4 1 862.7494305 19.82478666 TG aldehyde M+NH4 - - - C53 H100 N1 O7 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) TG(16:0_20:4_20:5)+NH4_1 TG(16:0_20:4_20:5)+NH4 TG(56:9)+NH4 1 918.7545155 20.29568966 TG triacyl M+NH4 RM0068049 C59 H100 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(16:0_20:3)+H PE(16:0_20:3)+H PE(36:3)+H 1 742.5381335 12.70602148 PE diacyl M+H RM0134802 C41 H77 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PC(20:4_20:4)+Na_2 PC(20:4_20:4)+Na PC(40:8)+Na 1 852.5513785 8.04471602 PC diacyl M+Na RM0136719 C48 H80 N1 Na1 O8 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(18:0CHO_17:1_19:1)+NH4_3 TG(18:0CHO_17:1_19:1)+NH4 TG(54:2CHO)+NH4 1 918.8120305 20.41554021 TG aldehyde M+NH4 - - - C57 H108 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(14:0_17:1_18:3)+NH4_2 TG(14:0_17:1_18:3)+NH4 TG(49:4)+NH4 1 830.7232155 20.34836117 TG triacyl M+NH4 RM0064428 C52 H96 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC=CC PE(16:0_16:0)+Na_2 PE(16:0_16:0)+Na PE(32:0)+Na 1 714.5044285 10.37487621 PE diacyl M+Na 445468 C00350 RM0095704 C37 H74 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(15:0_16:0)+H PE(15:0_16:0)+H PE(31:0)+H 1 678.5068335 12.03329029 PE diacyl M+H RM0001869 C36 H73 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(18:3_16:0)+H PE(18:3_16:0)+H PE(34:3)+H 1 714.5068335 10.3736801 PE diacyl M+H RM0001916 C39 H73 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(17:1_18:1_19:1)+Na TG(17:1_18:1_19:1)+Na TG(54:3)+Na 1 907.7725115 21.22032473 TG triacyl M+Na - - - C57 H104 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PC(20:5_18:1)+Na PC(20:5_18:1)+Na PC(38:6)+Na 1 828.5513785 9.930985429 PC diacyl M+Na RM0000028 C46 H80 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(16:1_22:6CHO)+H PC(16:1_22:6CHO)+H PC(38:7CHO)+H 1 818.5330485 5.541971653 PC aldehyde M+H - - - C46 H77 N1 O9 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(22:0_19:1_20:3)+NH4 TG(22:0_19:1_20:3)+NH4 TG(61:4)+NH4 1 998.9110155 21.64676738 TG triacyl M+NH4 - - - C64 H120 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(18:1_18:2_20:3)+NH4 TG(18:1_18:2_20:3)+NH4 TG(56:6)+NH4 1 924.8014655 20.79135166 TG triacyl M+NH4 RM0068243 C59 H106 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(14:1_15:1_18:4)+NH4 TG(14:1_15:1_18:4)+NH4 TG(47:6)+NH4 1 798.6606155 19.11273324 TG triacyl M+NH4 RM0063558 C50 H88 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC TG(18:0_16:1_16:1)+NH4 TG(18:0_16:1_16:1)+NH4 TG(50:2)+NH4 1 848.7701655 20.67578267 TG triacyl M+NH4 RM0065676 C53 H102 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC PC(16:0_20:5)+Na_1 PC(16:0_20:5)+Na PC(36:5)+Na 1 802.5357285 9.409359806 PC diacyl M+Na RM0171098 C44 H78 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:1_17:2)+H PE(18:1_17:2)+H PE(35:3)+H 1 728.5224835 10.92659746 PE diacyl M+H RM0019400 C40 H75 N1 O8 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(9:0COOH_26:5)+H PC(9:0COOH_26:5)+H PC(35:5COOH)+H 1 796.5123135 5.037520858 PC carboxylic M+H - - - C43 H75 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(15:1_17:1_18:1)+NH4 TG(15:1_17:1_18:1)+NH4 TG(50:3)+NH4 1 846.7545155 20.80637629 TG triacyl M+NH4 RM0103856 C53 H100 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(17:1_18:3)+NH4_2 DG(17:1_18:3)+NH4 DG(35:4)+NH4 1 620.5248505 14.10021471 DG diacyl M+NH4 RM0035641 C38 H70 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC=CC=CC=CC AcCa(14:1)+H_1 AcCa(14:1)+H AcCa(14:1)+H 1 370.2951855 1.281631989 AcCa Fatty acyl carnitines M+H RM0154190 C21 H40 N1 O4 CC=CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(17:1_19:1_18:2)+NH4_1 TG(17:1_19:1_18:2)+NH4 TG(54:4)+NH4 1 900.8014655 20.94406146 TG triacyl M+NH4 - - - C57 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(13:1_15:1_18:2)+NH4_1 TG(13:1_15:1_18:2)+NH4 TG(46:4)+NH4 1 788.6762655 19.82317837 TG triacyl M+NH4 - - - C49 H90 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PE(16:0_17:0)+H PE(16:0_17:0)+H PE(33:0)+H 1 706.5381335 14.56443016 PE diacyl M+H RM0001908 C38 H77 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN DG(16:1_18:2)+NH4 DG(16:1_18:2)+NH4 DG(34:3)+NH4 1 608.5248505 14.17886649 DG diacyl M+NH4 RM0134356 C37 H70 N1 O5 CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC TG(14:1_15:1_16:2)+NH4 TG(14:1_15:1_16:2)+NH4 TG(45:4)+NH4 1 774.6606155 19.5554678 TG triacyl M+NH4 - - - C48 H88 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC TG(17:1_18:1_18:1CHO)+NH4 TG(17:1_18:1_18:1CHO)+NH4 TG(53:3CHO)+NH4 1 902.7807305 20.1101437 TG aldehyde M+NH4 - - - C56 H104 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) TG(17:0_17:1_20:5)+NH4 TG(17:0_17:1_20:5)+NH4 TG(54:6)+NH4 1 896.7701655 20.7146993 TG triacyl M+NH4 RM0065179 C57 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC LPE(14:0)+H LPE(14:0)+H LPE(14:0)+H 1 426.2615185 2.131215262 LPE monoacyl M+H RM0138793 C19 H41 N1 O7 P1 CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN DG(15:1_29:2)+NH4 DG(15:1_29:2)+NH4 DG(44:3)+NH4 1 748.6813505 19.56051401 DG diacyl M+NH4 - - - C47 H90 N1 O5 CC=CCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCC=CC=CC TG(22:0_19:1_20:5)+NH4 TG(22:0_19:1_20:5)+NH4 TG(61:6)+NH4 1 994.8797155 21.45180284 TG triacyl M+NH4 - - - C64 H116 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(5:0_18:1_19:1)+Na TG(5:0_18:1_19:1)+Na TG(42:2)+Na 1 741.6003615 19.58667791 TG triacyl M+Na - - - C45 H82 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(20:5_19:2)+H_2 PE(20:5_19:2)+H PE(39:7)+H 1 776.5224835 9.674803948 PE diacyl M+H - - - C44 H75 N1 O8 P1 CC=CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(18:0_14:0CHO_18:1)+NH4 TG(18:0_14:0CHO_18:1)+NH4 TG(50:1CHO)+NH4 1 864.7650805 20.27850189 TG aldehyde M+NH4 - - - C53 H102 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(=O) TG(15:0_15:0_18:1)+NH4 TG(15:0_15:0_18:1)+NH4 TG(48:1)+NH4 1 822.7545155 20.85002098 TG triacyl M+NH4 RM0063790 C51 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PE(18:3_20:1)+H_1 PE(18:3_20:1)+H PE(38:4)+H 1 768.5537835 13.25714998 PE diacyl M+H RM0002102 C43 H79 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(18:3_20:1)+H_2 PE(18:3_20:1)+H PE(38:4)+H 1 768.5537835 13.27622407 PE diacyl M+H RM0002102 C43 H79 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(5:0_18:1_20:5)+Na TG(5:0_18:1_20:5)+Na TG(43:6)+Na 1 747.5534115 17.40691808 TG triacyl M+Na - - - C46 H76 Na1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(O-17:1_19:0)+Na PE(O-17:1_19:0)+Na PE(O-36:1)+Na 1 754.5721135 15.10627491 PE alkyl-acyl M+Na - - - C41 H82 N1 Na1 O7 P1 CC=CCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(O-18:0_20:3)+H PE(O-18:0_20:3)+H PE(O-38:3)+H 1 756.5901685 16.17829077 PE alkyl-acyl M+H RM0017813 C43 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(16:0_18:1_20:4)+NH4 TG(16:0_18:1_20:4)+NH4 TG(54:5)+NH4 1 898.7858155 20.75683219 TG triacyl M+NH4 RM0070378 C57 H104 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(20:4_16:0)+H PE(20:4_16:0)+H PE(36:4)+H 1 740.5224835 11.85155019 PE diacyl M+H RM0134803 C41 H75 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PE(7:0_23:0)+Na PE(7:0_23:0)+Na PE(30:0)+Na 1 686.4731285 8.183760349 PE diacyl M+Na - - - C35 H70 N1 Na1 O8 P1 CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN DG(18:2_20:5)+NH4 DG(18:2_20:5)+NH4 DG(38:7)+NH4 1 656.5248505 12.47866306 DG diacyl M+NH4 RM0034480 C41 H70 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(20:5_18:2)+H PE(20:5_18:2)+H PE(38:7)+H 1 762.5068335 9.216202802 PE diacyl M+H RM0001939 C43 H73 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(18:1_18:1_20:2CHO)+NH4_1 TG(18:1_18:1_20:2CHO)+NH4 TG(56:4CHO)+NH4 1 942.8120305 20.12454846 TG aldehyde M+NH4 - - - C59 H108 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC=CC(=O) PE(P-19:0_17:0)+H PE(P-19:0_17:0)+H PE(P-36:0)+H 1 732.5901685 17.56802825 PE alkenyl-acyl M+H - - - C41 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN Hex1Cer(d17:1_21:1)+H Hex1Cer(d17:1_21:1)+H Hex1Cer(d38:2)+H 1 754.6191455 15.27989003 Hex1Cer Ceramide monosaccharides M+H - - - C44 H84 N1 O8 CCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCC=CC)O TG(5:0_18:3_20:3)+NH4 TG(5:0_18:3_20:3)+NH4 TG(43:6)+NH4 1 742.5980155 17.77497456 TG triacyl M+NH4 - - - C46 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(20:3_17:0)+H PE(20:3_17:0)+H PE(37:3)+H 1 756.5537835 14.01900426 PE diacyl M+H RM0098912 C42 H79 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(P-18:1_18:1)+H_3 PE(P-18:1_18:1)+H PE(P-36:2)+H 1 728.5588685 14.53296648 PE alkenyl-acyl M+H RM0134783 C41 H79 N1 O7 P1 CC=CCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(18:0_19:1)+Na PC(18:0_19:1)+Na PC(37:1)+Na 1 824.6139785 16.39582824 PC diacyl M+Na RM0104143 C45 H88 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(18:3_22:0)+H PE(18:3_22:0)+H PE(40:3)+H 1 798.6007335 16.86727234 PE diacyl M+H RM0002099 C45 H85 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(16:0_16:2)+H PE(16:0_16:2)+H PE(32:2)+H 1 688.4911835 9.790157591 PE diacyl M+H RM0182615 C37 H71 N1 O8 P1 CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(17:0_18:0)+H PE(17:0_18:0)+H PE(35:0)+H 1 734.5694335 16.27475944 PE diacyl M+H RM0028163 C40 H81 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(O-19:0_20:3)+H PE(O-19:0_20:3)+H PE(O-39:3)+H 1 770.6058185 16.5986693 PE alkyl-acyl M+H - - - C44 H85 N1 O7 P1 CCCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PE(18:4_14:0)+H PE(18:4_14:0)+H PE(32:4)+H 1 684.4598835 7.252368653 PE diacyl M+H RM0001779 C37 H67 N1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(19:1_20:4_20:5)+NH4_1 TG(19:1_20:4_20:5)+NH4 TG(59:10)+NH4 1 958.7858155 20.57545572 TG triacyl M+NH4 - - - C62 H104 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(22:0_18:1)+H PE(22:0_18:1)+H PE(40:1)+H 1 802.6320335 18.18170854 PE diacyl M+H RM0043832 C45 H89 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(17:0_16:1)+H_1 PE(17:0_16:1)+H PE(33:1)+H 1 704.5224835 12.31847314 PE diacyl M+H RM0001922 C38 H75 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PC(16:1_20:5)+Na_2 PC(16:1_20:5)+Na PC(36:6)+Na 1 800.5200785 7.639862902 PC diacyl M+Na RM0103865 C44 H76 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(18:0CHO_18:1_18:1)+NH4_3 TG(18:0CHO_18:1_18:1)+NH4 TG(54:2CHO)+NH4 1 918.8120305 20.55993331 TG aldehyde M+NH4 - - - C57 H108 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(18:1_20:3_20:3)+NH4_1 TG(18:1_20:3_20:3)+NH4 TG(58:7)+NH4 1 950.8171155 20.68460168 TG triacyl M+NH4 RM0025794 C61 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(18:1_18:1_18:1)+NH4_2 TG(18:1_18:1_18:1)+NH4 TG(54:3)+NH4 1 902.8171155 26.32205131 TG triacyl M+NH4 RM0134295 C57 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(18:1_18:1_18:1)+NH4_3 TG(18:1_18:1_18:1)+NH4 TG(54:3)+NH4 1 902.8171155 21.54411204 TG triacyl M+NH4 RM0134295 C57 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(7:0CHO_32:6)+H PC(7:0CHO_32:6)+H PC(39:6CHO)+H 1 834.5643485 7.868556937 PC aldehyde M+H - - - C47 H81 N1 O9 P1 CC=CC=CC=CC=CC=CC=CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(18:1_20:1)+H PE(18:1_20:1)+H PE(38:2)+H 1 772.5850835 15.75494071 PE diacyl M+H RM0001945 C43 H83 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(6:0_17:1_18:2)+NH4 TG(6:0_17:1_18:2)+NH4 TG(41:3)+NH4 1 720.6136655 18.56523774 TG triacyl M+NH4 RM0177960 C44 H82 N1 O6 CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PE(14:0_17:1)+H PE(14:0_17:1)+H PE(31:1)+H 1 676.4911835 10.49369853 PE diacyl M+H RM0001317 C36 H71 N1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(27:6_13:1COOH)+H PC(27:6_13:1COOH)+H PC(40:7COOH)+H 1 862.5592635 11.59815952 PC carboxylic M+H - - - C48 H81 N1 O10 P1 CC=CC=CC=CC=CC=CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C PE(13:3CHO_18:1)+H PE(13:3CHO_18:1)+H PE(31:4CHO)+H 1 684.4234985 4.215562554 PE aldehyde M+H - - - C36 H63 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CC=CC=CC(=O))COP(=O)(O)OCCN DG(15:0_20:5)+NH4 DG(15:0_20:5)+NH4 DG(35:5)+NH4 1 618.5092005 12.62560033 DG diacyl M+NH4 RM0034354 C38 H68 N1 O5 CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(15:0_17:0_18:1)+NH4_2 TG(15:0_17:0_18:1)+NH4 TG(50:1)+NH4 1 850.7858155 21.17525246 TG triacyl M+NH4 RM0098697 C53 H104 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC TG(17:1_17:1_20:3CHO)+NH4 TG(17:1_17:1_20:3CHO)+NH4 TG(54:5CHO)+NH4 1 912.7650805 20.22851092 TG aldehyde M+NH4 - - - C57 H102 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC(=O) AcCa(14:1)+H_2 AcCa(14:1)+H AcCa(14:1)+H 1 370.2951855 1.377817677 AcCa Fatty acyl carnitines M+H RM0154190 C21 H40 N1 O4 CC=CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C DG(18:0_18:1)+H DG(18:0_18:1)+H DG(36:1)+H 1 623.5609015 14.36771004 DG diacyl M+H RM0035650 C39 H75 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC PE(20:0_20:4)+H PE(20:0_20:4)+H PE(40:4)+H 1 796.5850835 15.63496504 PE diacyl M+H RM0011711 C45 H83 N1 O8 P1 CCCCCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(17:0_17:1)+H_1 PE(17:0_17:1)+H PE(34:1)+H 1 718.5381335 13.93084967 PE diacyl M+H RM0103851 C39 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(18:1_18:1_19:1)+Na_1 TG(18:1_18:1_19:1)+Na TG(55:3)+Na 1 921.7881615 21.27495118 TG triacyl M+Na RM0117100 C58 H106 Na1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(18:1_20:1)+Na PE(18:1_20:1)+Na PE(38:2)+Na 1 794.5670285 14.58219512 PE diacyl M+Na RM0001945 C43 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(13:1_17:0)+H PE(13:1_17:0)+H PE(30:1)+H 1 662.4755335 9.328200999 PE diacyl M+H - - - C35 H69 N1 O8 P1 CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(17:1_18:3_20:5)+Na TG(17:1_18:3_20:5)+Na TG(55:9)+Na 1 909.6942615 20.13242355 TG triacyl M+Na RM0161601 C58 H94 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(17:2_16:0)+Na PE(17:2_16:0)+Na PE(33:2)+Na 1 724.4887785 8.954844201 PE diacyl M+Na RM0099068 C38 H72 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PC(7:0CHO_29:1)+H PC(7:0CHO_29:1)+H PC(36:1CHO)+H 1 802.5956485 14.34024126 PC aldehyde M+H - - - C44 H85 N1 O9 P1 CC=CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(O-14:0_18:1_6:0)+NH4 TG(O-14:0_18:1_6:0)+NH4 TG(O-38:1)+NH4 1 668.6187505 19.06768239 TG alkyl-acyl M+NH4 - - - C41 H82 N1 O5 CCCCCCCCCCCCCCOCC(COC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PE(20:5_16:0)+H_1 PE(20:5_16:0)+H PE(36:5)+H 1 738.5068335 10.29429588 PE diacyl M+H RM0044209 C41 H73 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(16:0_17:1_20:5)+NH4 TG(16:0_17:1_20:5)+NH4 TG(53:6)+NH4 1 882.7545155 20.64653354 TG triacyl M+NH4 RM0018043 C56 H100 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(19:1_19:1_20:5)+NH4 TG(19:1_19:1_20:5)+NH4 TG(58:7)+NH4 1 950.8171155 21.03493757 TG triacyl M+NH4 - - - C61 H108 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(14:0CHO_17:1_17:1)+NH4 TG(14:0CHO_17:1_17:1)+NH4 TG(48:2CHO)+NH4 1 834.7181305 19.22949425 TG aldehyde M+NH4 - - - C51 H96 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC(=O) PE(14:0_18:1)+Na PE(14:0_18:1)+Na PE(32:1)+Na 1 712.4887785 8.721514907 PE diacyl M+Na RM0001777 C37 H72 N1 Na1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN LPE(20:2)+H LPE(20:2)+H LPE(20:2)+H 1 506.3241185 3.496386504 LPE monoacyl M+H RM0097979 C25 H49 N1 O7 P1 CC=CC=CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(9:0_17:1_18:1)+Na TG(9:0_17:1_18:1)+Na TG(44:2)+Na 1 769.6316615 20.01816368 TG triacyl M+Na - - - C47 H86 Na1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(18:3_17:1)+H_2 PE(18:3_17:1)+H PE(35:4)+H 1 726.5068335 9.723459253 PE diacyl M+H RM0011549 C40 H73 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PC(18:3_20:0CHO)+H PC(18:3_20:0CHO)+H PC(38:3CHO)+H 1 826.5956485 7.710214944 PC aldehyde M+H - - - C46 H85 N1 O9 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C PC(19:2COOH_14:1)+H PC(19:2COOH_14:1)+H PC(33:3COOH)+H 1 772.5123135 4.50319515 PC carboxylic M+H - - - C41 H75 N1 O10 P1 CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(17:1_18:1_18:2)+NH4 TG(17:1_18:1_18:2)+NH4 TG(53:4)+NH4 1 886.7858155 20.88528256 TG triacyl M+NH4 RM0061506 C56 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(15:1_18:3_20:5)+NH4 TG(15:1_18:3_20:5)+NH4 TG(53:9)+NH4 1 876.7075655 19.67311669 TG triacyl M+NH4 RM0076492 C56 H94 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_19:1_20:3)+NH4 TG(5:0_19:1_20:3)+NH4 TG(44:4)+NH4 1 760.6449655 19.19172076 TG triacyl M+NH4 - - - C47 H86 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(15:0_16:1)+H PE(15:0_16:1)+H PE(31:1)+H 1 676.4911835 9.849118155 PE diacyl M+H RM0044193 C36 H71 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(18:4_17:0)+H_1 PE(18:4_17:0)+H PE(35:4)+H 1 726.5068335 10.41165483 PE diacyl M+H RM0003076 C40 H73 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(14:1_15:1_15:1)+NH4_1 TG(14:1_15:1_15:1)+NH4 TG(44:3)+NH4 1 762.6606155 19.63928525 TG triacyl M+NH4 RM0041770 C47 H88 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC LPE(20:3)+H_2 LPE(20:3)+H LPE(20:3)+H 1 504.3084685 3.002108829 LPE monoacyl M+H RM0012621 C25 H47 N1 O7 P1 CC=CC=CC=CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(17:1_17:1_18:1CHO)+NH4_2 TG(17:1_17:1_18:1CHO)+NH4 TG(52:3CHO)+NH4 1 888.7650805 20.0125998 TG aldehyde M+NH4 - - - C55 H102 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC(=O) LPE(18:2)+H_2 LPE(18:2)+H LPE(18:2)+H 1 478.2928185 2.641268888 LPE monoacyl M+H RM0048672 C23 H45 N1 O7 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(17:1_17:1_20:5)+NH4 TG(17:1_17:1_20:5)+NH4 TG(54:7)+NH4 1 894.7545155 20.55312276 TG triacyl M+NH4 RM0009117 C57 H100 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(20:5_18:1)+H_3 PE(20:5_18:1)+H PE(38:6)+H 1 764.5224835 10.6825329 PE diacyl M+H RM0090268 C43 H75 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(17:1_17:1_18:1)+NH4_2 TG(17:1_17:1_18:1)+NH4 TG(52:3)+NH4 1 874.7858155 21.03104142 TG triacyl M+NH4 RM0070452 C55 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(20:5_16:1)+H_2 PE(20:5_16:1)+H PE(36:6)+H 1 736.4911835 8.15195994 PE diacyl M+H RM0001902 C41 H71 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(17:1_17:1_19:1)+NH4_1 TG(17:1_17:1_19:1)+NH4 TG(53:3)+NH4 1 888.8014655 21.42938585 TG triacyl M+NH4 RM0176279 C56 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(13:1_18:1)+H PE(13:1_18:1)+H PE(31:2)+H 1 674.4755335 8.646197867 PE diacyl M+H - - - C36 H69 N1 O8 P1 CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(P-19:0_15:0)+H PE(P-19:0_15:0)+H PE(P-34:0)+H 1 704.5588685 16.31211086 PE alkenyl-acyl M+H - - - C39 H79 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(16:0_18:0_18:0)+NH4 TG(16:0_18:0_18:0)+NH4 TG(52:0)+NH4 1 880.8327655 21.48404295 TG triacyl M+NH4 RM0112573 C55 H110 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC PE(O-18:1_18:1)+Na PE(O-18:1_18:1)+Na PE(O-36:2)+Na 1 752.5564635 16.59459879 PE alkyl-acyl M+Na RM0134800 C41 H80 N1 Na1 O7 P1 CC=CCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN Cer(d17:1_18:1)+H Cer(d17:1_18:1)+H Cer(d35:2)+H 1 550.5193705 13.68172045 Cer acylsphingosines M+H RM0029474 C35 H68 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCC=CC)O TG(18:0CHO_18:1_19:1)+NH4_2 TG(18:0CHO_18:1_19:1)+NH4 TG(55:2CHO)+NH4 1 932.8276805 20.05377548 TG aldehyde M+NH4 - - - C58 H110 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC(=O) TG(16:0_17:1_18:1)+NH4_2 TG(16:0_17:1_18:1)+NH4 TG(51:2)+NH4 1 862.7858155 21.24848274 TG triacyl M+NH4 RM0064507 C54 H104 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(16:1_17:1_20:5)+Na TG(16:1_17:1_20:5)+Na TG(53:7)+Na 1 885.6942615 20.31913793 TG triacyl M+Na RM0157106 C56 H94 Na1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(17:1_18:1_18:2)+Na TG(17:1_18:1_18:2)+Na TG(53:4)+Na 1 891.7412115 20.88528256 TG triacyl M+Na RM0061506 C56 H100 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(19:0_18:1)+H_1 PE(19:0_18:1)+H PE(37:1)+H 1 760.5850835 16.51933934 PE diacyl M+H RM0103853 C42 H83 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(17:1_19:1_18:2)+NH4_2 TG(17:1_19:1_18:2)+NH4 TG(54:4)+NH4 1 900.8014655 21.21178358 TG triacyl M+NH4 - - - C57 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(15:0_17:0_22:0)+NH4 TG(15:0_17:0_22:0)+NH4 TG(54:0)+NH4 1 908.8640655 21.63287645 TG triacyl M+NH4 RM0016590 C57 H114 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC PE(O-17:0_20:1)+Na PE(O-17:0_20:1)+Na PE(O-37:1)+Na 1 768.5877635 15.66302126 PE alkyl-acyl M+Na - - - C42 H84 N1 Na1 O7 P1 CCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN LPE(17:0)+H_1 LPE(17:0)+H LPE(17:0)+H 1 468.3084685 3.630623111 LPE monoacyl M+H RM0012607 C22 H47 N1 O7 P1 CCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PE(P-19:0_18:1)+H_2 PE(P-19:0_18:1)+H PE(P-37:1)+H 1 744.5901685 16.51080183 PE alkenyl-acyl M+H RM0182419 C42 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(O-18:0_19:1)+H PE(O-18:0_19:1)+H PE(O-37:1)+H 1 746.6058185 17.39232931 PE alkyl-acyl M+H - - - C42 H85 N1 O7 P1 CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(16:0_10:2CHO)+H PE(16:0_10:2CHO)+H PE(26:2CHO)+H 1 618.3765485 3.793035341 PE aldehyde M+H - - - C31 H57 N1 O9 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC=CC(=O))COP(=O)(O)OCCN TG(26:0_19:1_20:5)+NH4 TG(26:0_19:1_20:5)+NH4 TG(65:6)+NH4 1 1050.942315 21.75534471 TG triacyl M+NH4 - - - C68 H124 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC LPE(17:0)+H_2 LPE(17:0)+H LPE(17:0)+H 1 468.3084685 3.477328849 LPE monoacyl M+H RM0012607 C22 H47 N1 O7 P1 CCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(16:0_17:1_17:1)+NH4_1 TG(16:0_17:1_17:1)+NH4 TG(50:2)+NH4 1 848.7701655 21.05096914 TG triacyl M+NH4 RM0065677 C53 H102 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(18:1_17:2COOH)+H PC(18:1_17:2COOH)+H PC(35:3COOH)+H 1 800.5436135 12.34551679 PC carboxylic M+H - - - C43 H79 N1 O10 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C PE(16:1_18:2)+H PE(16:1_18:2)+H PE(34:3)+H 1 714.5068335 9.821216197 PE diacyl M+H RM0087626 C39 H73 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(22:0CHO_18:1_18:1)+NH4 TG(22:0CHO_18:1_18:1)+NH4 TG(58:2CHO)+NH4 1 974.8746305 20.58142123 TG aldehyde M+NH4 - - - C61 H116 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O) DAP(O-12:0_O-4:0)+H_1 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 20.15590914 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC PE(P-19:0_18:1)+H_3 PE(P-19:0_18:1)+H PE(P-37:1)+H 1 744.5901685 16.96293705 PE alkenyl-acyl M+H RM0182419 C42 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(17:1_18:1_19:1)+NH4_2 TG(17:1_18:1_19:1)+NH4 TG(54:3)+NH4 1 902.8171155 21.22032473 TG triacyl M+NH4 - - - C57 H108 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(19:1_20:5)+H_1 PE(19:1_20:5)+H PE(39:6)+H 1 778.5381335 11.78386467 PE diacyl M+H - - - C44 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN PE(11:3CHO_18:0)+H_1 PE(11:3CHO_18:0)+H PE(29:3CHO)+H 1 658.4078485 4.154198641 PE aldehyde M+H - - - C34 H61 N1 O9 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CC=CC=CC(=O))COP(=O)(O)OCCN PE(O-18:0_18:1)+H PE(O-18:0_18:1)+H PE(O-36:1)+H 1 732.5901685 16.820008 PE alkyl-acyl M+H RM0104524 C41 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(17:1_19:1)+Na PC(17:1_19:1)+Na PC(36:2)+Na 1 808.5826785 13.95788605 PC diacyl M+Na RM0181295 C44 H84 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(17:1_18:1)+Na_1 PC(17:1_18:1)+Na PC(35:2)+Na 1 794.5670285 11.65510794 PC diacyl M+Na RM0000418 C43 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(P-18:0_17:1)+H_1 PE(P-18:0_17:1)+H PE(P-35:1)+H 1 716.5588685 16.15704688 PE alkenyl-acyl M+H RM0055309 C40 H79 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(26:0_17:1_19:1)+NH4 TG(26:0_17:1_19:1)+NH4 TG(62:2)+NH4 1 1016.957965 22.04512301 TG triacyl M+NH4 - - - C65 H126 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC TG(20:0_17:1_19:1)+Na TG(20:0_17:1_19:1)+Na TG(56:2)+Na 1 937.8194615 21.56257329 TG triacyl M+Na - - - C59 H110 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCC PE(18:1CHO_18:1)+H_1 PE(18:1CHO_18:1)+H PE(36:2CHO)+H 1 758.5330485 7.702854573 PE aldehyde M+H - - - C41 H77 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC(=O))COP(=O)(O)OCCN TG(17:1_18:2_20:5)+Na_1 TG(17:1_18:2_20:5)+Na TG(55:8)+Na 1 911.7099115 20.36503627 TG triacyl M+Na RM0115211 C58 H96 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PE(O-14:0_21:0)+H PE(O-14:0_21:0)+H PE(O-35:0)+H 1 720.5901685 17.17999062 PE alkyl-acyl M+H 145718199 RM0043669 C40 H83 N1 O7 P1 CCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN LPE(16:0)+H LPE(16:0)+H LPE(16:0)+H 1 454.2928185 3.293421155 LPE monoacyl M+H RM0134456 C21 H45 N1 O7 P1 CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PE(10:0CHO_17:0)+Na_1 PE(10:0CHO_17:0)+Na PE(27:0CHO)+Na 1 658.4054435 4.165557419 PE aldehyde M+Na - - - C32 H62 N1 Na1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(=O))COP(=O)(O)OCCN TG(17:1_18:1_19:1)+NH4_3 TG(17:1_18:1_19:1)+NH4 TG(54:3)+NH4 1 902.8171155 21.13067442 TG triacyl M+NH4 - - - C57 H108 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(17:1_18:2)+H PE(17:1_18:2)+H PE(35:3)+H 1 728.5224835 11.27904495 PE diacyl M+H RM0001941 C40 H75 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(14:0_18:0_18:1)+NH4 TG(14:0_18:0_18:1)+NH4 TG(50:1)+NH4 1 850.7858155 20.84741913 TG triacyl M+NH4 RM0061092 C53 H104 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC TG(18:1_21:1_18:2)+NH4 TG(18:1_21:1_18:2)+NH4 TG(57:4)+NH4 1 942.8484155 21.26515769 TG triacyl M+NH4 RM0117226 C60 H112 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCC=CC PE(16:0_16:0)+H PE(16:0_16:0)+H PE(32:0)+H 1 692.5224835 13.80642988 PE diacyl M+H 445468 C00350 RM0095704 C37 H75 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN PC(17:1_20:1CHO)+H_1 PC(17:1_20:1CHO)+H PC(37:2CHO)+H 1 814.5956485 8.463569022 PC aldehyde M+H - - - C45 H85 N1 O9 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(18:2_19:2)+Na PE(18:2_19:2)+Na PE(37:4)+Na 1 776.5200785 9.61603743 PE diacyl M+Na - - - C42 H76 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PE(15:1_17:1)+H PE(15:1_17:1)+H PE(32:2)+H 1 688.4911835 9.997441238 PE diacyl M+H RM0044205 C37 H71 N1 O8 P1 CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(18:1_18:1_19:1)+NH4_2 TG(18:1_18:1_19:1)+NH4 TG(55:3)+NH4 1 916.8327655 21.27495118 TG triacyl M+NH4 RM0117100 C58 H110 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(O-19:1_17:0)+H PE(O-19:1_17:0)+H PE(O-36:1)+H 1 732.5901685 17.55546261 PE alkyl-acyl M+H - - - C41 H83 N1 O7 P1 CC=CCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(O-19:0_19:1)+H PE(O-19:0_19:1)+H PE(O-38:1)+H 1 760.6214685 17.91665783 PE alkyl-acyl M+H - - - C43 H87 N1 O7 P1 CCCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(17:1_20:2)+H PC(17:1_20:2)+H PC(37:3)+H 1 798.6007335 13.67897748 PC diacyl M+H RM0103446 C45 H85 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(6:0_15:0_17:0)+NH4 TG(6:0_15:0_17:0)+NH4 TG(38:0)+NH4 1 684.6136655 19.09346867 TG triacyl M+NH4 - - - C41 H82 N1 O6 CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC PE(26:2_9:0)+Na PE(26:2_9:0)+Na PE(35:2)+Na 1 752.5200785 12.74403772 PE diacyl M+Na - - - C40 H76 N1 Na1 O8 P1 CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PE(18:1_19:1)+H_2 PE(18:1_19:1)+H PE(37:2)+H 1 758.5694335 15.2898355 PE diacyl M+H RM0097460 C42 H81 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(O-19:2_18:2)+H PE(O-19:2_18:2)+H PE(O-37:4)+H 1 740.5588685 14.52304113 PE alkyl-acyl M+H - - - C42 H79 N1 O7 P1 CC=CC=CCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN AcCa(13:0)+H AcCa(13:0)+H AcCa(13:0)+H 1 358.2951855 1.41875551 AcCa Fatty acyl carnitines M+H RM0154157 C20 H40 N1 O4 CCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(18:1_20:3_20:3)+NH4_2 TG(18:1_20:3_20:3)+NH4 TG(58:7)+NH4 1 950.8171155 20.81708291 TG triacyl M+NH4 RM0025794 C61 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(20:5_17:1)+H_2 PE(20:5_17:1)+H PE(37:6)+H 1 750.5068335 8.702036597 PE diacyl M+H RM0001325 C42 H73 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN LPE(15:0)+H LPE(15:0)+H LPE(15:0)+H 1 440.2771685 2.525068454 LPE monoacyl M+H RM0007290 C20 H43 N1 O7 P1 CCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(18:1_19:1_18:2)+NH4_1 TG(18:1_19:1_18:2)+NH4 TG(55:4)+NH4 1 914.8171155 21.09631375 TG triacyl M+NH4 RM0021462 C58 H108 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC DG(20:5_20:5)+H DG(20:5_20:5)+H DG(40:10)+H 1 661.4826515 10.26998991 DG diacyl M+H RM0033981 C43 H65 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:0_17:1_18:1)+NH4 TG(18:0_17:1_18:1)+NH4 TG(53:2)+NH4 1 890.8171155 21.56758473 TG triacyl M+NH4 RM0111178 C56 H108 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC PE(21:1CHO_15:2)+H PE(21:1CHO_15:2)+H PE(36:3CHO)+H 1 756.5173985 6.4337516 PE aldehyde M+H - - - C41 H75 N1 O9 P1 CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC=CC(=O))COP(=O)(O)OCCN PC(18:1_19:1)+Na_1 PC(18:1_19:1)+Na PC(37:2)+Na 1 822.5983285 14.48733474 PC diacyl M+Na RM0042470 C45 H86 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(17:0_17:1_19:1)+NH4 TG(17:0_17:1_19:1)+NH4 TG(53:2)+NH4 1 890.8171155 21.50358964 TG triacyl M+NH4 RM0117006 C56 H108 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC=CC PC(18:1_18:1)+Na_2 PC(18:1_18:1)+Na PC(36:2)+Na 1 808.5826785 13.51091019 PC diacyl M+Na RM0090053 C44 H84 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C DAP(O-12:0_O-4:0)+H_2 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 4.883391657 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC PC(20:1CHO_18:2)+H PC(20:1CHO_18:2)+H PC(38:3CHO)+H 1 826.5956485 7.786444402 PC aldehyde M+H - - - C46 H85 N1 O9 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(14:1_15:1_16:1)+NH4_1 TG(14:1_15:1_16:1)+NH4 TG(45:3)+NH4 1 776.6762655 19.90298047 TG triacyl M+NH4 RM0064715 C48 H90 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC TG(18:1_18:1_20:6)+NH4 TG(18:1_18:1_20:6)+NH4 TG(56:8)+NH4 1 920.7701655 20.12371529 TG triacyl M+NH4 - - - C59 H102 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CC=CC=CC=CC=CC=CC PE(16:0_18:0)+H PE(16:0_18:0)+H PE(34:0)+H 1 720.5537835 15.79951228 PE diacyl M+H RM0011528 C39 H79 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(15:1_15:1_16:3)+NH4_2 TG(15:1_15:1_16:3)+NH4 TG(46:5)+NH4 1 786.6606155 19.6047986 TG triacyl M+NH4 - - - C49 H88 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC TG(18:1_19:1_20:4)+NH4 TG(18:1_19:1_20:4)+NH4 TG(57:6)+NH4 1 938.8171155 20.9662615 TG triacyl M+NH4 RM0163231 C60 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(18:1CHO_17:1)+H PE(18:1CHO_17:1)+H PE(35:2CHO)+H 1 744.5173985 7.133061225 PE aldehyde M+H - - - C40 H75 N1 O9 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC(=O))COP(=O)(O)OCCN PE(O-18:0_18:2)+H_2 PE(O-18:0_18:2)+H PE(O-36:2)+H 1 730.5745185 15.61644014 PE alkyl-acyl M+H RM0104525 C41 H81 N1 O7 P1 CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(11:0_18:1_18:2)+NH4 TG(11:0_18:1_18:2)+NH4 TG(47:3)+NH4 1 804.7075655 20.08902836 TG triacyl M+NH4 RM0072667 C50 H94 N1 O6 CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(16:0_17:1)+H PE(16:0_17:1)+H PE(33:1)+H 1 704.5224835 13.07097718 PE diacyl M+H RM0001944 C38 H75 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN LPE(18:0)+H_1 LPE(18:0)+H LPE(18:0)+H 1 482.3241185 4.121031873 LPE monoacyl M+H RM0017276 C23 H49 N1 O7 P1 CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PC(19:1_20:5)+Na_2 PC(19:1_20:5)+Na PC(39:6)+Na 1 842.5670285 10.64591253 PC diacyl M+Na - - - C47 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(15:0_16:0)+Na PE(15:0_16:0)+Na PE(31:0)+Na 1 700.4887785 9.585449513 PE diacyl M+Na RM0001869 C36 H72 N1 Na1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(16:0_18:3_20:5)+NH4 TG(16:0_18:3_20:5)+NH4 TG(54:8)+NH4 1 892.7388655 20.23738433 TG triacyl M+NH4 RM0069171 C57 H98 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:0_18:0_21:0COOH)+NH4 TG(18:0_18:0_21:0COOH)+NH4 TG(57:0COOH)+NH4 1 980.8851955 21.37554862 TG carboxylic M+NH4 - - - C60 H118 N1 O8 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC(=O)O PE(20:5_17:1)+H_3 PE(20:5_17:1)+H PE(37:6)+H 1 750.5068335 9.453472475 PE diacyl M+H RM0001325 C42 H73 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:0_15:0_17:0)+NH4 TG(15:0_15:0_17:0)+NH4 TG(47:0)+NH4 1 810.7545155 20.93492709 TG triacyl M+NH4 RM0022604 C50 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC TG(17:1_17:1_19:1)+NH4_2 TG(17:1_17:1_19:1)+NH4 TG(53:3)+NH4 1 888.8014655 20.55532281 TG triacyl M+NH4 RM0176279 C56 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC CerPE(d17:1_24:0)+H_1 CerPE(d17:1_24:0)+H CerPE(d41:1)+H 1 759.6374525 17.49808585 CerPE Ceramide phosphoethanolamines M+H - - - C43 H88 N2 O6 P1 CCCCCCCCCCCCC=CC(C(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O TG(16:0_18:0_19:0COOH)+NH4 TG(16:0_18:0_19:0COOH)+NH4 TG(53:0COOH)+NH4 1 924.8225955 21.05759359 TG carboxylic M+NH4 - - - C56 H110 N1 O8 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(=O)O DG(14:0_18:2)+NH4 DG(14:0_18:2)+NH4 DG(32:2)+NH4 1 582.5092005 13.96592691 DG diacyl M+NH4 RM0034314 C35 H68 N1 O5 CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC DG(20:5_20:5)+Na DG(20:5_20:5)+Na DG(40:10)+Na 1 683.4645965 10.26998991 DG diacyl M+Na RM0033981 C43 H64 Na1 O5 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:0_17:1_20:5)+NH4 TG(18:0_17:1_20:5)+NH4 TG(55:6)+NH4 1 910.7858155 20.8739581 TG triacyl M+NH4 RM0069182 C58 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(17:1_18:1)+Na_2 PC(17:1_18:1)+Na PC(35:2)+Na 1 794.5670285 12.37056314 PC diacyl M+Na RM0000418 C43 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(P-19:1_18:1)+H_2 PE(P-19:1_18:1)+H PE(P-37:2)+H 1 742.5745185 16.12679243 PE alkenyl-acyl M+H - - - C42 H81 N1 O7 P1 CC=CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(18:1_18:2_18:4)+NH4 TG(18:1_18:2_18:4)+NH4 TG(54:7)+NH4 1 894.7545155 20.32784046 TG triacyl M+NH4 RM0068237 C57 H100 N1 O6 CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(18:1_18:1)+Na_1 PE(18:1_18:1)+Na PE(36:2)+Na 1 766.5357285 11.54588333 PE diacyl M+Na RM0134757 C41 H78 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(14:1_14:1_14:1)+NH4 TG(14:1_14:1_14:1)+NH4 TG(42:3)+NH4 1 734.6293155 18.80364129 TG triacyl M+NH4 RM0022861 C45 H84 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC LPE(18:1)+H_1 LPE(18:1)+H LPE(18:1)+H 1 480.3084685 3.431270116 LPE monoacyl M+H RM0104274 C23 H47 N1 O7 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN LPE(22:0)+H LPE(22:0)+H LPE(22:0)+H 1 538.3867185 6.490593785 LPE monoacyl M+H RM0017246 C27 H57 N1 O7 P1 CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(22:0_17:1_19:1)+NH4 TG(22:0_17:1_19:1)+NH4 TG(58:2)+NH4 1 960.8953655 21.88174127 TG triacyl M+NH4 - - - C61 H118 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(17:1_18:2_20:5)+NH4_2 TG(17:1_18:2_20:5)+NH4 TG(55:8)+NH4 1 906.7545155 20.30210709 TG triacyl M+NH4 RM0115211 C58 H100 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:1_19:1_20:5)+NH4 TG(18:1_19:1_20:5)+NH4 TG(57:7)+NH4 1 936.8014655 20.87312147 TG triacyl M+NH4 RM0176623 C60 H106 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(5:0_15:0_17:1)+NH4_4 TG(5:0_15:0_17:1)+NH4 TG(37:1)+NH4 1 668.5823655 17.8313714 TG triacyl M+NH4 - - - C40 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC PC(11:2_26:6)+Na PC(11:2_26:6)+Na PC(37:8)+Na 1 810.5044285 6.354509762 PC diacyl M+Na - - - C45 H74 N1 Na1 O8 P1 CC=CC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(14:0_17:0)+Na PE(14:0_17:0)+Na PE(31:0)+Na 1 700.4887785 9.764839921 PE diacyl M+Na RM0001313 C36 H72 N1 Na1 O8 P1 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN DG(18:1_19:1)+H DG(18:1_19:1)+H DG(37:2)+H 1 635.5609015 17.82365291 DG diacyl M+H RM0163329 C40 H75 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(27:0_18:1_18:2)+NH4 TG(27:0_18:1_18:2)+NH4 TG(63:3)+NH4 1 1028.957965 21.86846462 TG triacyl M+NH4 RM0105425 C66 H126 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC TG(14:1_14:1_18:3)+NH4 TG(14:1_14:1_18:3)+NH4 TG(46:5)+NH4 1 786.6606155 19.15884843 TG triacyl M+NH4 RM0112754 C49 H88 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC=CC CerPE(d17:1_23:0)+H CerPE(d17:1_23:0)+H CerPE(d40:1)+H 1 745.6218025 16.92779886 CerPE Ceramide phosphoethanolamines M+H - - - C42 H86 N2 O6 P1 CCCCCCCCCCCCC=CC(C(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCCC)O LPE(20:1)+H LPE(20:1)+H LPE(20:1)+H 1 508.3397685 4.168084312 LPE monoacyl M+H RM0104269 C25 H51 N1 O7 P1 CC=CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PE(O-18:0_20:2)+H PE(O-18:0_20:2)+H PE(O-38:2)+H 1 758.6058185 16.72270158 PE alkyl-acyl M+H RM0017814 C43 H85 N1 O7 P1 CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(16:0_20:4_20:5)+NH4_2 TG(16:0_20:4_20:5)+NH4 TG(56:9)+NH4 1 918.7545155 20.35305837 TG triacyl M+NH4 RM0068049 C59 H100 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(17:1_17:1_20:2CHO)+NH4_2 TG(17:1_17:1_20:2CHO)+NH4 TG(54:4CHO)+NH4 1 914.7807305 20.01833201 TG aldehyde M+NH4 - - - C57 H104 N1 O7 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC=CC(=O) TG(18:1_18:1_19:1)+Na_2 TG(18:1_18:1_19:1)+Na TG(55:3)+Na 1 921.7881615 21.36053067 TG triacyl M+Na RM0117100 C58 H106 Na1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PC(18:2_14:0COOH)+H PC(18:2_14:0COOH)+H PC(32:2COOH)+H 1 760.5123135 5.834084472 PC carboxylic M+H - - - C40 H75 N1 O10 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C LPE(20:5)+H_2 LPE(20:5)+H LPE(20:5)+H 1 500.2771685 1.362674893 LPE monoacyl M+H RM0134462 C25 H43 N1 O7 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(17:0_17:1_18:1)+NH4_3 TG(17:0_17:1_18:1)+NH4 TG(52:2)+NH4 1 876.8014655 21.64407114 TG triacyl M+NH4 RM0070299 C55 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PE(17:0_15:0)+H PE(17:0_15:0)+H PE(32:0)+H 1 692.5224835 13.36780885 PE diacyl M+H RM0001328 C37 H75 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(P-18:0_18:1)+H_2 PE(P-18:0_18:1)+H PE(P-36:1)+H 1 730.5745185 16.84390999 PE alkenyl-acyl M+H RM0134766 C41 H81 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(15:0_18:2_20:5)+NH4 TG(15:0_18:2_20:5)+NH4 TG(53:7)+NH4 1 880.7388655 20.23142122 TG triacyl M+NH4 RM0069113 C56 H98 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(7:0_15:0_16:0)+NH4 TG(7:0_15:0_16:0)+NH4 TG(38:0)+NH4 1 684.6136655 19.16238054 TG triacyl M+NH4 - - - C41 H82 N1 O6 CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC TG(18:1_19:1_20:1)+NH4_1 TG(18:1_19:1_20:1)+NH4 TG(57:3)+NH4 1 944.8640655 21.50041354 TG triacyl M+NH4 RM0117099 C60 H114 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC=CC LPE(18:0)+H_2 LPE(18:0)+H LPE(18:0)+H 1 482.3241185 3.965664259 LPE monoacyl M+H RM0017276 C23 H49 N1 O7 P1 CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(19:1_20:3_20:4)+NH4 TG(19:1_20:3_20:4)+NH4 TG(59:8)+NH4 1 962.8171155 20.87095868 TG triacyl M+NH4 - - - C62 H108 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(20:5_17:2)+H PE(20:5_17:2)+H PE(37:7)+H 1 748.4911835 7.922582392 PE diacyl M+H RM0099106 C42 H71 N1 O8 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(18:1_18:2_20:5)+NH4_2 TG(18:1_18:2_20:5)+NH4 TG(56:8)+NH4 1 920.7701655 20.39145743 TG triacyl M+NH4 RM0061683 C59 H102 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:1_18:1_18:2COOH)+NH4 TG(18:1_18:1_18:2COOH)+NH4 TG(54:4COOH)+NH4 1 930.7756455 18.77967946 TG carboxylic M+NH4 - - - C57 H104 N1 O8 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC(=O)O PE(22:0_17:1)+H_1 PE(22:0_17:1)+H PE(39:1)+H 1 788.6163835 17.91246741 PE diacyl M+H RM0007157 C44 H87 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(17:1_18:1_18:1)+NH4_1 TG(17:1_18:1_18:1)+NH4 TG(53:3)+NH4 1 888.8014655 21.0804545 TG triacyl M+NH4 RM0028261 C56 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(20:1CHO_18:3)+H_2 PC(20:1CHO_18:3)+H PC(38:4CHO)+H 1 824.5799985 7.168094182 PC aldehyde M+H - - - C46 H83 N1 O9 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(P-18:0_16:1)+H PE(P-18:0_16:1)+H PE(P-34:1)+H 1 702.5432185 15.10993149 PE alkenyl-acyl M+H RM0055307 C39 H77 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(18:1_18:3_20:5)+Na TG(18:1_18:3_20:5)+Na TG(56:9)+Na 1 923.7099115 20.1880297 TG triacyl M+Na RM0070871 C59 H96 Na1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(16:1_17:1_18:4)+Na TG(16:1_17:1_18:4)+Na TG(51:6)+Na 1 859.6786115 20.17540871 TG triacyl M+Na RM0028126 C54 H92 Na1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC PE(15:0_17:1)+H PE(15:0_17:1)+H PE(32:1)+H 1 690.5068335 11.35303661 PE diacyl M+H RM0011409 C37 H73 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(20:5_16:0COOH)+H PC(20:5_16:0COOH)+H PC(36:5COOH)+H 1 810.5279635 8.725230456 PC carboxylic M+H - - - C44 H77 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C PE(20:4_19:0)+H_2 PE(20:4_19:0)+H PE(39:4)+H 1 782.5694335 14.74842499 PE diacyl M+H RM0098905 C44 H81 N1 O8 P1 CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PC(14:1_22:3COOH)+H PC(14:1_22:3COOH)+H PC(36:4COOH)+H 1 812.5436135 5.605794081 PC carboxylic M+H - - - C44 H79 N1 O10 P1 CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C PE(20:5_16:0)+H_2 PE(20:5_16:0)+H PE(36:5)+H 1 738.5068335 10.5276726 PE diacyl M+H RM0044209 C41 H73 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(19:1_20:4_20:5)+NH4_2 TG(19:1_20:4_20:5)+NH4 TG(59:10)+NH4 1 958.7858155 20.50138699 TG triacyl M+NH4 - - - C62 H104 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(17:0_17:0)+H_2 PE(17:0_17:0)+H PE(34:0)+H 1 720.5537835 15.51178341 PE diacyl M+H 46891875 RM0135078 C39 H79 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(O-14:1_19:1_5:0)+NH4_1 TG(O-14:1_19:1_5:0)+NH4 TG(O-38:2)+NH4 1 666.6031005 18.30072088 TG alkyl-acyl M+NH4 - - - C41 H80 N1 O5 CC=CCCCCCCCCCCCOCC(COC(=O)CCCC)OC(=O)CCCCCCCCCCCCCCCC=CC Cer(d16:1_22:1)+H Cer(d16:1_22:1)+H Cer(d38:2)+H 1 592.5663205 16.78238957 Cer acylsphingosines M+H RM0017066 C38 H74 N1 O3 CCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC=CC)O PC(20:1CHO_17:2)+H PC(20:1CHO_17:2)+H PC(37:3CHO)+H 1 812.5799985 7.113972582 PC aldehyde M+H - - - C45 H83 N1 O9 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(18:0_17:1)+H PE(18:0_17:1)+H PE(35:1)+H 1 732.5537835 15.69865991 PE diacyl M+H RM0001940 C40 H79 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(19:1_19:1_20:3)+NH4 TG(19:1_19:1_20:3)+NH4 TG(58:5)+NH4 1 954.8484155 21.25760288 TG triacyl M+NH4 - - - C61 H112 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PC(9:2COOH_24:0)+H PC(9:2COOH_24:0)+H PC(33:2COOH)+H 1 774.5279635 4.628425894 PC carboxylic M+H - - - C41 H77 N1 O10 P1 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(20:3_20:4_20:5)+NH4_2 TG(20:3_20:4_20:5)+NH4 TG(60:12)+NH4 1 968.7701655 20.02055443 TG triacyl M+NH4 RM0110269 C63 H102 N1 O6 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(2:0_2:0_18:0)+NH4 TG(2:0_2:0_18:0)+NH4 TG(22:0)+NH4 1 460.3632655 6.433920804 TG triacyl M+NH4 - - - C25 H50 N1 O6 CC(=O)OCC(COC(=O)C)OC(=O)CCCCCCCCCCCCCCCCC PE(19:1_19:1)+H PE(19:1_19:1)+H PE(38:2)+H 1 772.5850835 16.31250335 PE diacyl M+H RM0182777 C43 H83 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(17:1_18:1_18:1)+Na_1 TG(17:1_18:1_18:1)+Na TG(53:3)+Na 1 893.7568615 21.17989701 TG triacyl M+Na RM0028261 C56 H102 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(O-14:1_19:1_5:0)+NH4_2 TG(O-14:1_19:1_5:0)+NH4 TG(O-38:2)+NH4 1 666.6031005 18.49218139 TG alkyl-acyl M+NH4 - - - C41 H80 N1 O5 CC=CCCCCCCCCCCCOCC(COC(=O)CCCC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(14:1_15:1_15:1)+NH4_2 TG(14:1_15:1_15:1)+NH4 TG(44:3)+NH4 1 762.6606155 19.7439225 TG triacyl M+NH4 RM0041770 C47 H88 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(15:0_17:1_18:2)+Na TG(15:0_17:1_18:2)+Na TG(50:3)+Na 1 851.7099115 20.75129751 TG triacyl M+Na RM0098769 C53 H96 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC TG(O-14:1_19:1_6:0)+NH4 TG(O-14:1_19:1_6:0)+NH4 TG(O-39:2)+NH4 1 680.6187505 18.74428494 TG alkyl-acyl M+NH4 - - - C42 H82 N1 O5 CC=CCCCCCCCCCCCOCC(COC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCC=CC DAP(O-12:0_O-4:0)+H_3 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 5.067769689 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC TG(14:1_14:1_16:1)+NH4 TG(14:1_14:1_16:1)+NH4 TG(44:3)+NH4 1 762.6606155 19.51798213 TG triacyl M+NH4 RM0067781 C47 H88 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC PC(6:1CHO_29:1)+H PC(6:1CHO_29:1)+H PC(35:2CHO)+H 1 786.5643485 6.412499221 PC aldehyde M+H - - - C43 H81 N1 O9 P1 CC=CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(6:0_15:0_15:0)+NH4 TG(6:0_15:0_15:0)+NH4 TG(36:0)+NH4 1 656.5823655 18.29322947 TG triacyl M+NH4 - - - C39 H78 N1 O6 CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC PE(17:1_20:4)+H PE(17:1_20:4)+H PE(37:5)+H 1 752.5224835 10.33629988 PE diacyl M+H RM0001900 C42 H75 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(17:1_19:1_18:2)+NH4_3 TG(17:1_19:1_18:2)+NH4 TG(54:4)+NH4 1 900.8014655 21.04261437 TG triacyl M+NH4 - - - C57 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(9:0_17:1_18:1)+NH4_2 TG(9:0_17:1_18:1)+NH4 TG(44:2)+NH4 1 764.6762655 19.88546272 TG triacyl M+NH4 - - - C47 H90 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(19:1_19:1)+NH4_1 DG(19:1_19:1)+NH4 DG(38:2)+NH4 1 666.6031005 18.49393948 DG diacyl M+NH4 - - - C41 H80 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC DG(19:1_20:4)+NH4_3 DG(19:1_20:4)+NH4 DG(39:5)+NH4 1 674.5718005 16.4594261 DG diacyl M+NH4 - - - C42 H76 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC AcCa(16:2)+H AcCa(16:2)+H AcCa(16:2)+H 1 396.3108355 1.544317482 AcCa Fatty acyl carnitines M+H RM0154197 C23 H42 N1 O4 CC=CC=CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PE(19:0_18:1)+H_2 PE(19:0_18:1)+H PE(37:1)+H 1 760.5850835 16.28744958 PE diacyl M+H RM0103853 C42 H83 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(P-19:0_18:1)+H_4 PE(P-19:0_18:1)+H PE(P-37:1)+H 1 744.5901685 16.34866691 PE alkenyl-acyl M+H RM0182419 C42 H83 N1 O7 P1 CCCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(15:0_17:0_18:0)+NH4_2 TG(15:0_17:0_18:0)+NH4 TG(50:0)+NH4 1 852.8014655 21.36976002 TG triacyl M+NH4 RM0016586 C53 H106 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC TG(16:0_17:1_17:1)+NH4_2 TG(16:0_17:1_17:1)+NH4 TG(50:2)+NH4 1 848.7701655 21.2884608 TG triacyl M+NH4 RM0065677 C53 H102 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC LPE(17:0)+H_3 LPE(17:0)+H LPE(17:0)+H 1 468.3084685 3.726979662 LPE monoacyl M+H RM0012607 C22 H47 N1 O7 P1 CCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PE(O-18:2_18:0)+H PE(O-18:2_18:0)+H PE(O-36:2)+H 1 730.5745185 15.26393857 PE alkyl-acyl M+H RM0054693 C41 H81 N1 O7 P1 CC=CC=CCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(19:1_21:0)+H PE(19:1_21:0)+H PE(40:1)+H 1 802.6320335 18.34724596 PE diacyl M+H - - - C45 H89 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN AcCa(11:1)+H AcCa(11:1)+H AcCa(11:1)+H 1 328.2482355 0.902343483 AcCa Fatty acyl carnitines M+H RM0154087 C18 H34 N1 O4 CC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(19:0_17:2_19:2)+NH4 TG(19:0_17:2_19:2)+NH4 TG(55:4)+NH4 1 914.8171155 21.35070297 TG triacyl M+NH4 - - - C58 H108 N1 O6 CC=CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCC TG(17:0_17:1_18:1)+Na TG(17:0_17:1_18:1)+Na TG(52:2)+Na 1 881.7568615 21.14954046 TG triacyl M+Na RM0070299 C55 H102 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC PE(16:2_18:0)+H PE(16:2_18:0)+H PE(34:2)+H 1 716.5224835 12.67884101 PE diacyl M+H RM0182640 C39 H75 N1 O8 P1 CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN AcCa(18:1)+H_2 AcCa(18:1)+H AcCa(18:1)+H 1 426.3577855 3.262281904 AcCa Fatty acyl carnitines M+H RM0153915 C25 H48 N1 O4 CC=CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PE(20:0_15:2)+Na PE(20:0_15:2)+Na PE(35:2)+Na 1 752.5200785 13.2228988 PE diacyl M+Na - - - C40 H76 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(15:0_18:1)+H PE(15:0_18:1)+H PE(33:1)+H 1 704.5224835 12.1366118 PE diacyl M+H RM0001835 C38 H75 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN DG(19:1_19:1)+NH4_2 DG(19:1_19:1)+NH4 DG(38:2)+NH4 1 666.6031005 18.29781895 DG diacyl M+NH4 - - - C41 H80 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(18:0_16:1_18:1)+NH4 TG(18:0_16:1_18:1)+NH4 TG(52:2)+NH4 1 876.8014655 20.92845254 TG triacyl M+NH4 RM0068109 C55 H106 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC LPE(21:0)+H LPE(21:0)+H LPE(21:0)+H 1 524.3710685 5.753244606 LPE monoacyl M+H RM0007284 C26 H55 N1 O7 P1 CCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN CerPE(d17:1_24:0)+H_2 CerPE(d17:1_24:0)+H CerPE(d41:1)+H 1 759.6374525 17.28945406 CerPE Ceramide phosphoethanolamines M+H - - - C43 H88 N2 O6 P1 CCCCCCCCCCCCC=CC(C(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O DG(19:1_20:4)+NH4_4 DG(19:1_20:4)+NH4 DG(39:5)+NH4 1 674.5718005 16.05286262 DG diacyl M+NH4 - - - C42 H76 N1 O5 CC=CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(17:0_20:5)+Na_1 PC(17:0_20:5)+Na PC(37:5)+Na 1 816.5513785 9.98497011 PC diacyl M+Na RM0001077 C45 H80 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(5:0_15:0_20:4)+NH4 TG(5:0_15:0_20:4)+NH4 TG(40:4)+NH4 1 704.5823655 17.1431439 TG triacyl M+NH4 - - - C43 H78 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(17:1_18:1)+H PE(17:1_18:1)+H PE(35:2)+H 1 730.5381335 13.11694478 PE diacyl M+H RM0001943 C40 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN Hex1Cer(t17:0_20:1)+H Hex1Cer(t17:0_20:1)+H Hex1Cer(t37:1)+H 1 758.6140605 14.27978299 Hex1Cer t-Ceramide monosaccharides M+H RM0045303 C43 H84 N1 O9 CCCCCCCCCCCCCC(O)C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCC=CC)O TG(5:0_19:1_20:4)+NH4_3 TG(5:0_19:1_20:4)+NH4 TG(44:5)+NH4 1 758.6293155 18.50406861 TG triacyl M+NH4 - - - C47 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC LPE(18:3)+H_2 LPE(18:3)+H LPE(18:3)+H 1 476.2771685 1.430983324 LPE monoacyl M+H RM0134465 C23 H43 N1 O7 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN LPE(16:1)+H LPE(16:1)+H LPE(16:1)+H 1 452.2771685 1.531313426 LPE monoacyl M+H RM0090013 C21 H43 N1 O7 P1 CC=CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(11:1_15:1_17:1)+NH4 TG(11:1_15:1_17:1)+NH4 TG(43:3)+NH4 1 748.6449655 19.57061306 TG triacyl M+NH4 - - - C46 H86 N1 O6 CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:1_20:2_20:3)+NH4 TG(18:1_20:2_20:3)+NH4 TG(58:6)+NH4 1 952.8327655 20.94288569 TG triacyl M+NH4 RM0113260 C61 H110 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC=CC TG(16:0_17:1_18:1)+NH4_3 TG(16:0_17:1_18:1)+NH4 TG(51:2)+NH4 1 862.7858155 21.34982824 TG triacyl M+NH4 RM0064507 C54 H104 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(16:0_18:0_21:0COOH)+NH4 TG(16:0_18:0_21:0COOH)+NH4 TG(55:0COOH)+NH4 1 952.8538955 21.20911353 TG carboxylic M+NH4 - - - C58 H114 N1 O8 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC(=O)O AcCa(11:0)+H AcCa(11:0)+H AcCa(11:0)+H 1 330.2638855 1.023199804 AcCa Fatty acyl carnitines M+H RM0154085 C18 H36 N1 O4 CCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C LPE(18:1)+H_2 LPE(18:1)+H LPE(18:1)+H 1 480.3084685 3.080720102 LPE monoacyl M+H RM0104274 C23 H47 N1 O7 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(15:1_15:1_14:2)+NH4 TG(15:1_15:1_14:2)+NH4 TG(44:4)+NH4 1 760.6449655 19.33548212 TG triacyl M+NH4 - - - C47 H86 N1 O6 CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC PE(17:0_19:1)+H_1 PE(17:0_19:1)+H PE(36:1)+H 1 746.5694335 15.53779723 PE diacyl M+H RM0182657 C41 H81 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(16:0_20:5)+Na_2 PC(16:0_20:5)+Na PC(36:5)+Na 1 802.5357285 9.095041755 PC diacyl M+Na RM0171098 C44 H78 N1 Na1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PC(20:5_15:0)+Na PC(20:5_15:0)+Na PC(35:5)+Na 1 788.5200785 8.274893883 PC diacyl M+Na RM0036657 C43 H76 N1 Na1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(11:3CHO_18:0)+H_2 PE(11:3CHO_18:0)+H PE(29:3CHO)+H 1 658.4078485 4.326521602 PE aldehyde M+H - - - C34 H61 N1 O9 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CC=CC=CC(=O))COP(=O)(O)OCCN PC(20:5_19:4)+H_3 PC(20:5_19:4)+H PC(39:9)+H 1 814.5381335 8.207692086 PC diacyl M+H - - - C47 H77 N1 O8 P1 CC=CC=CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(15:0_17:1_18:1)+NH4_2 TG(15:0_17:1_18:1)+NH4 TG(50:2)+NH4 1 848.7701655 21.20563619 TG triacyl M+NH4 RM0114857 C53 H102 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(18:0_18:1_18:1)+NH4 TG(18:0_18:1_18:1)+NH4 TG(54:2)+NH4 1 904.8327655 21.1480417 TG triacyl M+NH4 RM0134324 C57 H110 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC LPE(18:1)+H_3 LPE(18:1)+H LPE(18:1)+H 1 480.3084685 3.218677289 LPE monoacyl M+H RM0104274 C23 H47 N1 O7 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(18:1_18:2_20:5)+Na_1 TG(18:1_18:2_20:5)+Na TG(56:8)+Na 1 925.7255615 20.39145743 TG triacyl M+Na RM0061683 C59 H98 Na1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(21:6CHO_29:3)+H PC(21:6CHO_29:3)+H PC(50:9CHO)+H 1 982.6895485 3.28943578 PC aldehyde M+H - - - C58 H97 N1 O9 P1 CC=CC=CC=CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CC=CC=CC=CC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(17:1_18:1_18:2COOH)+NH4 TG(17:1_18:1_18:2COOH)+NH4 TG(53:4COOH)+NH4 1 916.7599955 18.62099443 TG carboxylic M+NH4 - - - C56 H102 N1 O8 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC(=O)O TG(14:0_17:1_17:1)+NH4_2 TG(14:0_17:1_17:1)+NH4 TG(48:2)+NH4 1 820.7388655 21.00455683 TG triacyl M+NH4 RM0112577 C51 H98 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:1_18:2_20:5)+Na_2 TG(17:1_18:2_20:5)+Na TG(55:8)+Na 1 911.7099115 20.30210709 TG triacyl M+Na RM0115211 C58 H96 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(18:0_18:1_18:2)+NH4 TG(18:0_18:1_18:2)+NH4 TG(54:3)+NH4 1 902.8171155 20.8932334 TG triacyl M+NH4 RM0111187 C57 H108 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC PC(22:1COOH_15:0)+H PC(22:1COOH_15:0)+H PC(37:1COOH)+H 1 832.6062135 7.300525772 PC carboxylic M+H - - - C45 H87 N1 O10 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C PE(18:1_18:1)+Na_2 PE(18:1_18:1)+Na PE(36:2)+Na 1 766.5357285 11.39762926 PE diacyl M+Na RM0134757 C41 H78 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(20:0_18:2)+H PE(20:0_18:2)+H PE(38:2)+H 1 772.5850835 16.25810968 PE diacyl M+H RM0001998 C43 H83 N1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(8:2COOH_4:0_6:0)+H TG(8:2COOH_4:0_6:0)+H TG(18:2COOH)+H 1 413.2169965 1.20225765 TG carboxylic M+H - - - C21 H33 O8 CCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCC=CC=CC(=O)O PE(18:3_15:0)+H PE(18:3_15:0)+H PE(33:3)+H 1 700.4911835 9.507678982 PE diacyl M+H RM0024692 C38 H71 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN PC(17:1_8:1COOH)+H PC(17:1_8:1COOH)+H PC(25:2COOH)+H 1 662.4027635 2.770399706 PC carboxylic M+H - - - C33 H61 N1 O10 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C TG(19:0_18:1_19:1)+NH4 TG(19:0_18:1_19:1)+NH4 TG(56:2)+NH4 1 932.8640655 21.32319506 TG triacyl M+NH4 - - - C59 H114 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCC PE(22:0_17:1)+H_2 PE(22:0_17:1)+H PE(39:1)+H 1 788.6163835 17.60157829 PE diacyl M+H RM0007157 C44 H87 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN AcCa(17:0)+H_3 AcCa(17:0)+H AcCa(17:0)+H 1 414.3577855 3.469865712 AcCa Fatty acyl carnitines M+H 145720489 RM0154058 C24 H48 N1 O4 CCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PE(O-18:2_19:0)+H PE(O-18:2_19:0)+H PE(O-37:2)+H 1 744.5901685 16.35921025 PE alkyl-acyl M+H RM0098368 C42 H83 N1 O7 P1 CC=CC=CCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(2:0_2:0_18:1)+H_1 TG(2:0_2:0_18:1)+H TG(22:1)+H 1 441.3210665 4.096969969 TG triacyl M+H RM0176905 C25 H45 O6 CC(=O)OCC(COC(=O)C)OC(=O)CCCCCCCCCCCCCCC=CC DAP(O-12:0_O-4:0)+H_4 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 20.23676541 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC PE(19:1_20:5)+H_2 PE(19:1_20:5)+H PE(39:6)+H 1 778.5381335 11.32204283 PE diacyl M+H - - - C44 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN DG(15:0_27:4)+Na DG(15:0_27:4)+Na DG(42:4)+Na 1 723.5897965 8.566471531 DG diacyl M+Na - - - C45 H80 Na1 O5 CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCC=CC=CC=CC=CC PE(16:1_16:1)+H PE(16:1_16:1)+H PE(32:2)+H 1 688.4911835 9.326459906 PE diacyl M+H RM0134770 C37 H71 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(17:0_19:1)+H_2 PE(17:0_19:1)+H PE(36:1)+H 1 746.5694335 16.05291736 PE diacyl M+H RM0182657 C41 H81 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(17:0_19:1)+H_3 PE(17:0_19:1)+H PE(36:1)+H 1 746.5694335 16.08280439 PE diacyl M+H RM0182657 C41 H81 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN DG(18:0_18:3)+NH4_2 DG(18:0_18:3)+NH4 DG(36:3)+NH4 1 636.5561505 16.46403009 DG diacyl M+NH4 RM0034197 C39 H74 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC PE(20:4_19:1)+H_1 PE(20:4_19:1)+H PE(39:5)+H 1 780.5537835 12.94445282 PE diacyl M+H RM0001609 C44 H79 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(17:1_19:1_20:4)+NH4 TG(17:1_19:1_20:4)+NH4 TG(56:6)+NH4 1 924.8014655 20.94357382 TG triacyl M+NH4 - - - C59 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(16:1_20:1CHO)+H PC(16:1_20:1CHO)+H PC(36:2CHO)+H 1 800.5799985 7.602171493 PC aldehyde M+H - - - C44 H83 N1 O9 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PC(18:0CHO_18:1)+H PC(18:0CHO_18:1)+H PC(36:1CHO)+H 1 802.5956485 8.617150502 PC aldehyde M+H - - - C44 H85 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(19:1_20:3_20:3)+NH4 TG(19:1_20:3_20:3)+NH4 TG(59:7)+NH4 1 964.8327655 20.553331 TG triacyl M+NH4 - - - C62 H110 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC DG(17:1_18:1)+NH4_2 DG(17:1_18:1)+NH4 DG(35:2)+NH4 1 624.5561505 16.29804109 DG diacyl M+NH4 RM0035172 C38 H74 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(18:1_18:1_20:3)+NH4 TG(18:1_18:1_20:3)+NH4 TG(56:5)+NH4 1 926.8171155 20.97313504 TG triacyl M+NH4 RM0156529 C59 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(O-20:2_18:1)+H PE(O-20:2_18:1)+H PE(O-38:3)+H 1 756.5901685 16.38720437 PE alkyl-acyl M+H RM0024500 C43 H83 N1 O7 P1 CC=CC=CCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(14:1_15:1_17:1)+Na TG(14:1_15:1_17:1)+Na TG(46:3)+Na 1 795.6473115 20.20936522 TG triacyl M+Na RM0112270 C49 H88 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PE(17:0_17:1)+H_2 PE(17:0_17:1)+H PE(34:1)+H 1 718.5381335 14.32917656 PE diacyl M+H RM0103851 C39 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(18:0_19:1_18:3)+NH4 TG(18:0_19:1_18:3)+NH4 TG(55:4)+NH4 1 914.8171155 21.1726854 TG triacyl M+NH4 RM0176443 C58 H108 N1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(4:0_17:1_18:1)+NH4 TG(4:0_17:1_18:1)+NH4 TG(39:2)+NH4 1 694.5980155 18.50080784 TG triacyl M+NH4 - - - C42 H80 N1 O6 CCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(17:2_17:0)+Na PE(17:2_17:0)+Na PE(34:2)+Na 1 738.5044285 9.861432033 PE diacyl M+Na RM0098688 C39 H74 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(5:0_18:1_17:2)+NH4_2 TG(5:0_18:1_17:2)+NH4 TG(40:3)+NH4 1 706.5980155 17.81565864 TG triacyl M+NH4 - - - C43 H80 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(17:1_19:1_20:5)+NH4 TG(17:1_19:1_20:5)+NH4 TG(56:7)+NH4 1 922.7858155 20.81824816 TG triacyl M+NH4 - - - C59 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PI(20:5_17:0)+NH4 PI(20:5_17:0)+NH4 PI(37:5)+NH4 1 888.5596585 8.262290777 PI diacyl M+NH4 RM0089991 C46 H83 N1 O13 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O TG(18:0_19:1_20:5)+NH4 TG(18:0_19:1_20:5)+NH4 TG(57:6)+NH4 1 938.8171155 21.11357219 TG triacyl M+NH4 - - - C60 H108 N1 O6 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC MG(24:6)+H MG(24:6)+H MG(24:6)+H 1 431.3155865 4.040200192 MG monoacyl M+H RM0174904 C27 H43 O4 CC=CC=CC=CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)O TG(13:1_15:1_18:2)+NH4_2 TG(13:1_15:1_18:2)+NH4 TG(46:4)+NH4 1 788.6762655 19.73513863 TG triacyl M+NH4 - - - C49 H90 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC AcCa(21:1)+H AcCa(21:1)+H AcCa(21:1)+H 1 468.4047355 4.441180448 AcCa Fatty acyl carnitines M+H RM0156351 C28 H54 N1 O4 CC=CCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(17:1_17:1_20:3)+NH4 TG(17:1_17:1_20:3)+NH4 TG(54:5)+NH4 1 898.7858155 20.8485228 TG triacyl M+NH4 RM0065468 C57 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(15:0_14:1_17:1)+Na TG(15:0_14:1_17:1)+Na TG(46:2)+Na 1 797.6629615 20.40674358 TG triacyl M+Na RM0016357 C49 H90 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(15:0_17:1_17:1)+NH4_3 TG(15:0_17:1_17:1)+NH4 TG(49:2)+NH4 1 834.7545155 21.06989992 TG triacyl M+NH4 RM0016609 C52 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:1_18:1_20:2CHO)+NH4_2 TG(18:1_18:1_20:2CHO)+NH4 TG(56:4CHO)+NH4 1 942.8120305 20.36001824 TG aldehyde M+NH4 - - - C59 H108 N1 O7 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC=CC(=O) TG(17:1_18:1_18:1)+Na_2 TG(17:1_18:1_18:1)+Na TG(53:3)+Na 1 893.7568615 21.0804545 TG triacyl M+Na RM0028261 C56 H102 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(21:0_17:1_19:1)+NH4_4 TG(21:0_17:1_19:1)+NH4 TG(57:2)+NH4 1 946.8797155 21.61684125 TG triacyl M+NH4 - - - C60 H116 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCC PE(17:1_26:0)+H PE(17:1_26:0)+H PE(43:1)+H 1 844.6789835 19.52116248 PE diacyl M+H RM0043841 C48 H95 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(17:0_18:2COOH)+H PE(17:0_18:2COOH)+H PE(35:2COOH)+H 1 760.5123135 5.651621253 PE carboxylic M+H - - - C40 H75 N1 O10 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC(=O)O)COP(=O)(O)OCCN PE(22:0_19:1)+H PE(22:0_19:1)+H PE(41:1)+H 1 816.6476835 18.77816333 PE diacyl M+H RM0182782 C46 H91 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN MG(18:1)+H MG(18:1)+H MG(18:1)+H 1 357.2999365 3.48300133 MG monoacyl M+H RM0008643 C21 H41 O4 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)O PI(18:2_18:1)+Na PI(18:2_18:1)+Na PI(36:3)+Na 1 883.5307045 7.426502619 PI diacyl M+Na RM0057155 C45 H81 Na1 O13 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O DAP(O-12:0_O-4:0)+H_5 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 26.04580317 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC DAP(O-12:0_O-4:0)+H_6 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 26.09085322 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC PE(20:4_19:1)+H_2 PE(20:4_19:1)+H PE(39:5)+H 1 780.5537835 13.08727483 PE diacyl M+H RM0001609 C44 H79 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(O-14:1_17:1_5:0)+NH4 TG(O-14:1_17:1_5:0)+NH4 TG(O-36:2)+NH4 1 638.5718005 17.10347481 TG alkyl-acyl M+NH4 - - - C39 H76 N1 O5 CC=CCCCCCCCCCCCOCC(COC(=O)CCCC)OC(=O)CCCCCCCCCCCCCC=CC TG(2:0_2:0_20:0COOH)+Na TG(2:0_2:0_20:0COOH)+Na TG(24:0COOH)+Na 1 523.3241415 4.10158069 TG carboxylic M+Na - - - C27 H48 Na1 O8 CC(=O)OCC(COC(=O)C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)O PFAA(23:0)+H PFAA(23:0)+H PFAA(23:0)+H 1 354.3730405 5.788348859 PFAA Primary amides M+H - - - C23 H48 N1 O1 NC(=O)CCCCCCCCCCCCCCCCCCCCCC DG(3:0_18:1)+H DG(3:0_18:1)+H DG(21:1)+H 1 413.3261515 4.107308318 DG diacyl M+H RM0174588 C24 H45 O5 CCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC PE(16:1_18:1)+H PE(16:1_18:1)+H PE(34:2)+H 1 716.5224835 11.54036455 PE diacyl M+H RM0134804 C39 H75 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(16:0_18:0_19:1)+NH4 TG(16:0_18:0_19:1)+NH4 TG(53:1)+NH4 1 892.8327655 21.47812981 TG triacyl M+NH4 RM0006274 C56 H110 N1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(17:1_17:1_19:1)+NH4_3 TG(17:1_17:1_19:1)+NH4 TG(53:3)+NH4 1 888.8014655 20.45581785 TG triacyl M+NH4 RM0176279 C56 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PC(3:0_20:0COOH)+H PC(3:0_20:0COOH)+H PC(23:0COOH)+H 1 638.4027635 3.792904588 PC carboxylic M+H - - - C31 H61 N1 O10 P1 CCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C LPE(19:0)+H_1 LPE(19:0)+H LPE(19:0)+H 1 496.3397685 4.574488947 LPE monoacyl M+H RM0097987 C24 H51 N1 O7 P1 CCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PC(8:0_11:0CHO)+H PC(8:0_11:0CHO)+H PC(19:0CHO)+H 1 566.3452485 3.719953304 PC aldehyde M+H - - - C27 H53 N1 O9 P1 CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(7:1CHO_18:1)+H PE(7:1CHO_18:1)+H PE(25:2CHO)+H 1 604.3608985 3.643202201 PE aldehyde M+H - - - C30 H55 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CC(=O))COP(=O)(O)OCCN TG(16:1_17:1_18:1)+NH4_1 TG(16:1_17:1_18:1)+NH4 TG(51:3)+NH4 1 860.7701655 20.8524275 TG triacyl M+NH4 RM0064891 C54 H102 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(18:1_19:1_18:2)+NH4_2 TG(18:1_19:1_18:2)+NH4 TG(55:4)+NH4 1 914.8171155 21.55709135 TG triacyl M+NH4 RM0021462 C58 H108 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC CerPE(d17:1_22:0)+H CerPE(d17:1_22:0)+H CerPE(d39:1)+H 1 731.6061525 16.24333934 CerPE Ceramide phosphoethanolamines M+H - - - C41 H84 N2 O6 P1 CCCCCCCCCCCCC=CC(C(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCC)O TG(O-14:1_18:1_4:0)+NH4 TG(O-14:1_18:1_4:0)+NH4 TG(O-36:2)+NH4 1 638.5718005 16.75021881 TG alkyl-acyl M+NH4 - - - C39 H76 N1 O5 CC=CCCCCCCCCCCCOCC(COC(=O)CCC)OC(=O)CCCCCCCCCCCCCCC=CC AcCa(19:0)+H_1 AcCa(19:0)+H AcCa(19:0)+H 1 442.3890855 4.1241267 AcCa Fatty acyl carnitines M+H 145720491 RM0154010 C26 H52 N1 O4 CCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(15:0_17:1_20:5)+Na TG(15:0_17:1_20:5)+Na TG(52:6)+Na 1 873.6942615 20.421062 TG triacyl M+Na RM0064745 C55 H94 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:1_18:3)+Na_3 PC(18:1_18:3)+Na PC(36:4)+Na 1 804.5513785 10.00750559 PC diacyl M+Na RM0025434 C44 H80 N1 Na1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(2:0_17:1_18:1)+NH4 TG(2:0_17:1_18:1)+NH4 TG(37:2)+NH4 1 666.5667155 17.51218964 TG triacyl M+NH4 - - - C40 H76 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(19:1_18:3)+NH4_2 DG(19:1_18:3)+NH4 DG(37:4)+NH4 1 648.5561505 15.98254512 DG diacyl M+NH4 RM0174450 C40 H74 N1 O5 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(14:1_15:1_16:1)+NH4_2 TG(14:1_15:1_16:1)+NH4 TG(45:3)+NH4 1 776.6762655 19.79760717 TG triacyl M+NH4 RM0064715 C48 H90 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC TG(18:0_18:1_20:4)+NH4 TG(18:0_18:1_20:4)+NH4 TG(56:5)+NH4 1 926.8171155 20.7509145 TG triacyl M+NH4 RM0062016 C59 H108 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PC(16:2CHO_17:0)+H_1 PC(16:2CHO_17:0)+H PC(33:2CHO)+H 1 758.5330485 7.413526159 PC aldehyde M+H - - - C41 H77 N1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(18:0_19:1)+H PE(18:0_19:1)+H PE(37:1)+H 1 760.5850835 16.76935452 PE diacyl M+H RM0104573 C42 H83 N1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(20:5_19:4)+H_4 PC(20:5_19:4)+H PC(39:9)+H 1 814.5381335 8.078909955 PC diacyl M+H - - - C47 H77 N1 O8 P1 CC=CC=CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(22:0_17:1_20:5)+NH4 TG(22:0_17:1_20:5)+NH4 TG(59:6)+NH4 1 966.8484155 21.29832983 TG triacyl M+NH4 RM0061555 C62 H112 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(15:1_15:1_16:3)+NH4_3 TG(15:1_15:1_16:3)+NH4 TG(46:5)+NH4 1 786.6606155 19.23950435 TG triacyl M+NH4 - - - C49 H88 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC TG(18:1_16:3_18:3)+NH4 TG(18:1_16:3_18:3)+NH4 TG(52:7)+NH4 1 866.7232155 19.95057283 TG triacyl M+NH4 - - - C55 H96 N1 O6 CC=CC=CC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC AcCa(22:1)+H AcCa(22:1)+H AcCa(22:1)+H 1 482.4203855 4.729388959 AcCa Fatty acyl carnitines M+H RM0154209 C29 H56 N1 O4 CC=CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PC(27:2_9:1CHO)+H PC(27:2_9:1CHO)+H PC(36:3CHO)+H 1 798.5643485 6.988336668 PC aldehyde M+H - - - C44 H81 N1 O9 P1 CC=CC=CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PC(20:5_16:1)+Na PC(20:5_16:1)+Na PC(36:6)+Na 1 800.5200785 7.812231721 PC diacyl M+Na RM0103865 C44 H76 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(17:2_18:0)+H PE(17:2_18:0)+H PE(35:2)+H 1 730.5381335 13.87465914 PE diacyl M+H RM0001183 C40 H77 N1 O8 P1 CC=CC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(15:0_17:0_17:0)+NH4_2 TG(15:0_17:0_17:0)+NH4 TG(49:0)+NH4 1 838.7858155 21.15711575 TG triacyl M+NH4 RM0020551 C52 H104 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC AcCa(8:0)+H AcCa(8:0)+H AcCa(8:0)+H 1 288.2169355 0.804774074 AcCa Fatty acyl carnitines M+H 11953814 C02838 RM0154093 C15 H30 N1 O4 CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(15:0_18:2_20:5)+Na TG(15:0_18:2_20:5)+Na TG(53:7)+Na 1 885.6942615 20.23142122 TG triacyl M+Na RM0069113 C56 H94 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(15:1_16:1_17:1)+Na TG(15:1_16:1_17:1)+Na TG(48:3)+Na 1 823.6786115 20.5436705 TG triacyl M+Na RM0086603 C51 H92 Na1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC LPE(19:0)+H_2 LPE(19:0)+H LPE(19:0)+H 1 496.3397685 4.429056969 LPE monoacyl M+H RM0097987 C24 H51 N1 O7 P1 CCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN DG(17:0_27:4)+Na DG(17:0_27:4)+Na DG(44:4)+Na 1 751.6210965 10.9700797 DG diacyl M+Na - - - C47 H84 Na1 O5 CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCC=CC=CC=CC=CC TG(17:1_18:1_18:3)+Na TG(17:1_18:1_18:3)+Na TG(53:5)+Na 1 889.7255615 20.69932288 TG triacyl M+Na RM0009359 C56 H98 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(17:1_20:4_20:5)+NH4_2 TG(17:1_20:4_20:5)+NH4 TG(57:10)+NH4 1 930.7545155 20.34611593 TG triacyl M+NH4 RM0025418 C60 H100 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(P-19:1_18:2)+H_2 PE(P-19:1_18:2)+H PE(P-37:3)+H 1 740.5588685 14.66534727 PE alkenyl-acyl M+H - - - C42 H79 N1 O7 P1 CC=CCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN PG(18:0_18:1)+NH4 PG(18:0_18:1)+NH4 PG(36:1)+NH4 1 794.5905635 13.18976877 PG diacyl M+NH4 RM0134551 C42 H85 N1 O10 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(CO)O LPE(20:0)+H LPE(20:0)+H LPE(20:0)+H 1 510.3554185 5.126831903 LPE monoacyl M+H RM0134453 C25 H53 N1 O7 P1 CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PE(10:0CHO_17:0)+Na_2 PE(10:0CHO_17:0)+Na PE(27:0CHO)+Na 1 658.4054435 4.302419081 PE aldehyde M+Na - - - C32 H62 N1 Na1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(=O))COP(=O)(O)OCCN TG(17:1_17:1_18:1)+Na TG(17:1_17:1_18:1)+Na TG(52:3)+Na 1 879.7412115 21.03104142 TG triacyl M+Na RM0070452 C55 H100 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(5:0_20:0_17:1)+NH4 TG(5:0_20:0_17:1)+NH4 TG(42:1)+NH4 1 738.6606155 20.17292836 TG triacyl M+NH4 - - - C45 H88 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCCCC TG(17:1_17:1_18:2)+Na TG(17:1_17:1_18:2)+Na TG(52:4)+Na 1 877.7255615 20.83621578 TG triacyl M+Na RM0065477 C55 H98 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PE(P-18:0_17:1)+H_2 PE(P-18:0_17:1)+H PE(P-35:1)+H 1 716.5588685 15.68991131 PE alkenyl-acyl M+H RM0055309 C40 H79 N1 O7 P1 CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(22:0_17:1_20:4)+NH4 TG(22:0_17:1_20:4)+NH4 TG(59:5)+NH4 1 968.8640655 21.37101112 TG triacyl M+NH4 RM0114987 C62 H114 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC TG(17:1_17:1_18:1)+NH4_3 TG(17:1_17:1_18:1)+NH4 TG(52:3)+NH4 1 874.7858155 21.59959837 TG triacyl M+NH4 RM0070452 C55 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(17:1_17:1)+H PE(17:1_17:1)+H PE(34:2)+H 1 716.5224835 12.32929708 PE diacyl M+H RM0134771 C39 H75 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(9:0_17:1_18:3)+NH4 TG(9:0_17:1_18:3)+NH4 TG(44:4)+NH4 1 760.6449655 19.09208383 TG triacyl M+NH4 - - - C47 H86 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC=CC=CC TG(18:1_18:2_20:5)+Na_2 TG(18:1_18:2_20:5)+Na TG(56:8)+Na 1 925.7255615 20.44414406 TG triacyl M+Na RM0061683 C59 H98 Na1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC DG(2:0_18:1)+H_1 DG(2:0_18:1)+H DG(20:1)+H 1 399.3105015 3.478397532 DG diacyl M+H RM0174474 C23 H43 O5 CC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(15:0_16:0_16:1)+NH4 TG(15:0_16:0_16:1)+NH4 TG(47:1)+NH4 1 808.7388655 20.70359619 TG triacyl M+NH4 RM0063814 C50 H98 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC TG(17:1_18:1_18:1)+NH4_2 TG(17:1_18:1_18:1)+NH4 TG(53:3)+NH4 1 888.8014655 26.43766087 TG triacyl M+NH4 RM0028261 C56 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(17:1_17:1_17:1)+NH4_2 TG(17:1_17:1_17:1)+NH4 TG(51:3)+NH4 1 860.7701655 21.61974009 TG triacyl M+NH4 RM0065465 C54 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:2_18:2_18:2)+NH4 TG(18:2_18:2_18:2)+NH4 TG(54:6)+NH4 1 896.7701655 20.26711267 TG triacyl M+NH4 RM0138783 C57 H102 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PA(18:1_18:1)+NH4 PA(18:1_18:1)+NH4 PA(36:2)+NH4 1 718.5381335 19.61907436 PA diacyl M+NH4 RM0134597 C39 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)O TG(19:1_20:1_20:5)+NH4_1 TG(19:1_20:1_20:5)+NH4 TG(59:7)+NH4 1 964.8327655 20.86300972 TG triacyl M+NH4 - - - C62 H110 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC=CC TG(18:1_19:1_20:1)+NH4_2 TG(18:1_19:1_20:1)+NH4 TG(57:3)+NH4 1 944.8640655 21.63485425 TG triacyl M+NH4 RM0117099 C60 H114 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC=CC TG(12:0_14:0_17:1)+NH4_2 TG(12:0_14:0_17:1)+NH4 TG(43:1)+NH4 1 752.6762655 20.44032054 TG triacyl M+NH4 RM0108660 C46 H90 N1 O6 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC LPE(15:1)+H_1 LPE(15:1)+H LPE(15:1)+H 1 438.2615185 1.30571063 LPE monoacyl M+H RM0138796 C20 H41 N1 O7 P1 CC=CCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(16:1_18:1_18:4)+NH4 TG(16:1_18:1_18:4)+NH4 TG(52:6)+NH4 1 868.7388655 20.28931838 TG triacyl M+NH4 RM0114221 C55 H98 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(18:1_8:1COOH)+H PC(18:1_8:1COOH)+H PC(26:2COOH)+H 1 676.4184135 3.162005087 PC carboxylic M+H - - - C34 H63 N1 O10 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C DAP(O-12:0_O-4:0)+H_7 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 5.799551536 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC TG(26:0_17:1_20:5)+NH4 TG(26:0_17:1_20:5)+NH4 TG(63:6)+NH4 1 1022.911015 21.60532688 TG triacyl M+NH4 RM0106689 C66 H120 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC TG(16:1_17:1_18:1)+NH4_2 TG(16:1_17:1_18:1)+NH4 TG(51:3)+NH4 1 860.7701655 21.10251484 TG triacyl M+NH4 RM0064891 C54 H102 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PE(O-19:0_17:3)+H PE(O-19:0_17:3)+H PE(O-36:3)+H 1 728.5588685 14.69557231 PE alkyl-acyl M+H - - - C41 H79 N1 O7 P1 CCCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(14:1_15:1_17:1)+NH4_2 TG(14:1_15:1_17:1)+NH4 TG(46:3)+NH4 1 790.6919155 20.37672732 TG triacyl M+NH4 RM0112270 C49 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC DAP(O-4:0_O-4:0)+H_1 DAP(O-4:0_O-4:0)+H DAP(O-8:0)+H 1 279.1590865 5.707628925 DAP dialkyl M+H - - - C16 H23 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC PE(17:1_19:1)+H PE(17:1_19:1)+H PE(36:2)+H 1 744.5537835 14.70855246 PE diacyl M+H RM0098138 C41 H79 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(7:0_18:2_18:2)+NH4 TG(7:0_18:2_18:2)+NH4 TG(43:4)+NH4 1 746.6293155 18.37159814 TG triacyl M+NH4 - - - C46 H84 N1 O6 CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PC(20:5_18:3COOH)+H PC(20:5_18:3COOH)+H PC(38:8COOH)+H 1 832.5123135 7.929192393 PC carboxylic M+H - - - C46 H75 N1 O10 P1 CC=CC=CC=CC=CC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC(=O)O)COP(=O)([O-])OCC[N+](C)(C)C DAP(O-12:0_O-4:0)+H_8 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 20.52771216 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC PE(20:5_17:1)+H_4 PE(20:5_17:1)+H PE(37:6)+H 1 750.5068335 8.813997422 PE diacyl M+H RM0001325 C42 H73 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN PE(17:0_16:1)+H_2 PE(17:0_16:1)+H PE(33:1)+H 1 704.5224835 12.7654035 PE diacyl M+H RM0001922 C38 H75 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN AcCa(9:0)+H AcCa(9:0)+H AcCa(9:0)+H 1 302.2325855 0.849069451 AcCa Fatty acyl carnitines M+H 53481660 RM0153881 C16 H32 N1 O4 CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(5:0_18:1_18:2)+NH4_2 TG(5:0_18:1_18:2)+NH4 TG(41:3)+NH4 1 720.6136655 18.17870267 TG triacyl M+NH4 RM0114547 C44 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(15:1_16:1_17:1)+NH4_2 TG(15:1_16:1_17:1)+NH4 TG(48:3)+NH4 1 818.7232155 20.43329333 TG triacyl M+NH4 RM0086603 C51 H96 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:1_18:1_18:1)+NH4_3 TG(17:1_18:1_18:1)+NH4 TG(53:3)+NH4 1 888.8014655 21.17989701 TG triacyl M+NH4 RM0028261 C56 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC AEA(15:1)+H_2 AEA(15:1)+H AEA(15:1)+H 1 284.2584055 2.646043084 AEA N-acyl ethanolamines M+H - - - C17 H34 N1 O2 OCCNC(=O)CCCCCCCCCCCC=CC TG(17:1_17:1_20:5)+Na TG(17:1_17:1_20:5)+Na TG(54:7)+Na 1 899.7099115 20.55312276 TG triacyl M+Na RM0009117 C57 H96 Na1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(19:1_20:1_20:3)+NH4 TG(19:1_20:1_20:3)+NH4 TG(59:5)+NH4 1 968.8640655 21.2912256 TG triacyl M+NH4 - - - C62 H114 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC=CC PC(17:0_20:5)+Na_2 PC(17:0_20:5)+Na PC(37:5)+Na 1 816.5513785 10.23295367 PC diacyl M+Na RM0001077 C45 H80 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C CerPE(d17:1_16:0)+H CerPE(d17:1_16:0)+H CerPE(d33:1)+H 1 647.5122525 9.340595733 CerPE Ceramide phosphoethanolamines M+H - - - C35 H72 N2 O6 P1 CCCCCCCCCCCCC=CC(C(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCC)O TG(18:1_18:1_19:1)+NH4_3 TG(18:1_18:1_19:1)+NH4 TG(55:3)+NH4 1 916.8327655 21.5144791 TG triacyl M+NH4 RM0117100 C58 H110 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC Cer(d17:1_16:0)+H Cer(d17:1_16:0)+H Cer(d33:1)+H 1 524.5037205 12.15688139 Cer acylsphingosines M+H 10256256 RM0038788 C33 H66 N1 O3 CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCC)O MG(18:0)+NH4 MG(18:0)+NH4 MG(18:0)+NH4 1 376.3421355 5.33446057 MG monoacyl M+NH4 RM0075519 C21 H46 N1 O4 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O TG(15:0_18:1_18:1)+NH4 TG(15:0_18:1_18:1)+NH4 TG(51:2)+NH4 1 862.7858155 20.99560105 TG triacyl M+NH4 RM0028033 C54 H104 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC AcCa(20:2)+H AcCa(20:2)+H AcCa(20:2)+H 1 452.3734355 3.357519945 AcCa Fatty acyl carnitines M+H RM0154125 C27 H50 N1 O4 CC=CC=CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(18:1_19:1_19:1)+Na TG(18:1_19:1_19:1)+Na TG(56:3)+Na 1 935.8038115 21.39275392 TG triacyl M+Na - - - C59 H108 Na1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PC(16:2CHO_17:0)+H_2 PC(16:2CHO_17:0)+H PC(33:2CHO)+H 1 758.5330485 7.142661042 PC aldehyde M+H - - - C41 H77 N1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(13:0_14:1_14:1)+NH4 TG(13:0_14:1_14:1)+NH4 TG(41:2)+NH4 1 722.6293155 18.94711896 TG triacyl M+NH4 RM0068953 C44 H84 N1 O6 CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC PC(18:3_19:1CHO)+H PC(18:3_19:1CHO)+H PC(37:4CHO)+H 1 810.5643485 14.59911405 PC aldehyde M+H - - - C45 H81 N1 O9 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(13:1_14:1_15:1)+NH4 TG(13:1_14:1_15:1)+NH4 TG(42:3)+NH4 1 734.6293155 19.08141885 TG triacyl M+NH4 - - - C45 H84 N1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(15:1_15:1_17:1)+Na TG(15:1_15:1_17:1)+Na TG(47:3)+Na 1 809.6629615 20.45445475 TG triacyl M+Na RM0016979 C50 H90 Na1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:1_17:1_15:2)+NH4 TG(17:1_17:1_15:2)+NH4 TG(49:4)+NH4 1 830.7232155 20.57646069 TG triacyl M+NH4 - - - C52 H96 N1 O6 CC=CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(15:0_16:1_16:2)+NH4 TG(15:0_16:1_16:2)+NH4 TG(47:3)+NH4 1 804.7075655 20.20768699 TG triacyl M+NH4 RM0175608 C50 H94 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCC=CC PC(16:1_8:0CHO)+H PC(16:1_8:0CHO)+H PC(24:1CHO)+H 1 634.4078485 4.15488229 PC aldehyde M+H - - - C32 H61 N1 O9 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C LPE(15:1)+H_2 LPE(15:1)+H LPE(15:1)+H 1 438.2615185 0.654025258 LPE monoacyl M+H RM0138796 C20 H41 N1 O7 P1 CC=CCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN PC(15:0_20:1CHO)+H PC(15:0_20:1CHO)+H PC(35:1CHO)+H 1 788.5799985 8.077634809 PC aldehyde M+H - - - C43 H83 N1 O9 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(18:0_16:1)+H PE(18:0_16:1)+H PE(34:1)+H 1 718.5381335 14.16827395 PE diacyl M+H RM0044221 C39 H77 N1 O8 P1 CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(2:0_2:0_18:1)+H_2 TG(2:0_2:0_18:1)+H TG(22:1)+H 1 441.3210665 3.742815624 TG triacyl M+H RM0176905 C25 H45 O6 CC(=O)OCC(COC(=O)C)OC(=O)CCCCCCCCCCCCCCC=CC PC(18:1_20:0CHO)+H_2 PC(18:1_20:0CHO)+H PC(38:1CHO)+H 1 830.6269485 10.65662439 PC aldehyde M+H - - - C46 H89 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C DG(17:1_17:1)+NH4_1 DG(17:1_17:1)+NH4 DG(34:2)+NH4 1 610.5405005 16.32707432 DG diacyl M+NH4 - - - C37 H72 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC=CC DG(16:0_18:0)+NH4 DG(16:0_18:0)+NH4 DG(34:0)+NH4 1 614.5718005 18.21937915 DG diacyl M+NH4 RM0134377 C37 H76 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC PC(17:1_18:1)+Na_3 PC(17:1_18:1)+Na PC(35:2)+Na 1 794.5670285 12.21192474 PC diacyl M+Na RM0000418 C43 H82 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(14:0_14:0_16:0)+NH4 TG(14:0_14:0_16:0)+NH4 TG(44:0)+NH4 1 768.7075655 20.71772186 TG triacyl M+NH4 RM0067633 C47 H94 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC TG(9:0_18:1_18:2)+NH4 TG(9:0_18:1_18:2)+NH4 TG(45:3)+NH4 1 776.6762655 19.70704188 TG triacyl M+NH4 RM0109313 C48 H90 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(19:1_19:1_20:4)+NH4_1 TG(19:1_19:1_20:4)+NH4 TG(58:6)+NH4 1 952.8327655 21.13063347 TG triacyl M+NH4 - - - C61 H110 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC PE(7:1CHO_18:0)+H PE(7:1CHO_18:0)+H PE(25:1CHO)+H 1 606.3765485 4.288636862 PE aldehyde M+H - - - C30 H57 N1 O9 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CC(=O))COP(=O)(O)OCCN DAP(O-12:0_O-4:0)+H_9 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 5.300706629 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC DAP(O-12:0_O-4:0)+H_10 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 5.462182085 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC TG(18:1_18:2_18:2)+NH4 TG(18:1_18:2_18:2)+NH4 TG(54:5)+NH4 1 898.7858155 20.64045417 TG triacyl M+NH4 RM0016715 C57 H104 N1 O6 CC=CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(14:1_14:1_15:1)+Na TG(14:1_14:1_15:1)+Na TG(43:3)+Na 1 753.6003615 19.30738175 TG triacyl M+Na RM0016359 C46 H82 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(15:1_15:1_15:1)+NH4 TG(15:1_15:1_15:1)+NH4 TG(45:3)+NH4 1 776.6762655 20.23269136 TG triacyl M+NH4 RM0080416 C48 H90 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC PC(O-15:2_28:0)+H PC(O-15:2_28:0)+H PC(O-43:2)+H 1 870.7310185 11.86667161 PC alkyl-acyl M+H - - - C51 H101 N1 O7 P1 CC=CC=CCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C PE(O-9:0_26:2)+Na PE(O-9:0_26:2)+Na PE(O-35:2)+Na 1 738.5408135 14.87489681 PE alkyl-acyl M+Na RM0036452 C40 H78 N1 Na1 O7 P1 CCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN TG(17:1_18:2_20:4)+NH4_2 TG(17:1_18:2_20:4)+NH4 TG(55:7)+NH4 1 908.7701655 20.43348583 TG triacyl M+NH4 RM0061511 C58 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC DG(18:0_19:1)+NH4 DG(18:0_19:1)+NH4 DG(37:1)+NH4 1 654.6031005 18.81444406 DG diacyl M+NH4 - - - C40 H80 N1 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC=CC TG(O-15:0_18:0_3:0)+NH4 TG(O-15:0_18:0_3:0)+NH4 TG(O-36:0)+NH4 1 642.6031005 19.1221304 TG alkyl-acyl M+NH4 - - - C39 H80 N1 O5 CCCCCCCCCCCCCCCOCC(COC(=O)CC)OC(=O)CCCCCCCCCCCCCCCCC DG(18:0_18:0)+NH4 DG(18:0_18:0)+NH4 DG(36:0)+NH4 1 642.6031005 19.12541094 DG diacyl M+NH4 RM0033544 C39 H80 N1 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC TG(9:0_18:1_20:4)+NH4 TG(9:0_18:1_20:4)+NH4 TG(47:5)+NH4 1 800.6762655 19.37733917 TG triacyl M+NH4 - - - C50 H90 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(15:0_18:0_18:2)+NH4 TG(15:0_18:0_18:2)+NH4 TG(51:2)+NH4 1 862.7858155 20.7537706 TG triacyl M+NH4 RM0072911 C54 H104 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC TG(17:1_17:1_17:2)+NH4 TG(17:1_17:1_17:2)+NH4 TG(51:4)+NH4 1 858.7545155 20.93279068 TG triacyl M+NH4 RM0116123 C54 H100 N1 O6 CC=CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(O-28:3_19:4)+H PC(O-28:3_19:4)+H PC(O-47:7)+H 1 916.7153685 13.24371577 PC alkyl-acyl M+H - - - C55 H99 N1 O7 P1 CC=CC=CC=CCCCCCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(14:0_17:1_17:1)+NH4_3 TG(14:0_17:1_17:1)+NH4 TG(48:2)+NH4 1 820.7388655 20.93812476 TG triacyl M+NH4 RM0112577 C51 H98 N1 O6 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PE(20:5_18:1)+Na PE(20:5_18:1)+Na PE(38:6)+Na 1 786.5044285 10.16190269 PE diacyl M+Na RM0090268 C43 H74 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN AcCa(14:2)+H AcCa(14:2)+H AcCa(14:2)+H 1 368.2795355 1.137247274 AcCa Fatty acyl carnitines M+H RM0154069 C21 H38 N1 O4 CC=CC=CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PE(20:5_19:1)+H_2 PE(20:5_19:1)+H PE(39:6)+H 1 778.5381335 11.98041219 PE diacyl M+H - - - C44 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:0_17:0_18:1)+NH4_3 TG(15:0_17:0_18:1)+NH4 TG(50:1)+NH4 1 850.7858155 21.34186433 TG triacyl M+NH4 RM0098697 C53 H104 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC TG(16:1_17:1_17:1)+NH4 TG(16:1_17:1_17:1)+NH4 TG(50:3)+NH4 1 846.7545155 20.99237198 TG triacyl M+NH4 RM0024882 C53 H100 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(14:1_17:1_17:1)+NH4 TG(14:1_17:1_17:1)+NH4 TG(48:3)+NH4 1 818.7232155 20.74466871 TG triacyl M+NH4 RM0086606 C51 H96 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:1_18:1_19:1)+NH4_4 TG(17:1_18:1_19:1)+NH4 TG(54:3)+NH4 1 902.8171155 21.39302989 TG triacyl M+NH4 - - - C57 H108 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(18:1_18:1)+H_1 PE(18:1_18:1)+H PE(36:2)+H 1 744.5537835 13.5230933 PE diacyl M+H RM0134757 C41 H79 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(17:1_20:1CHO)+H_2 PC(17:1_20:1CHO)+H PC(37:2CHO)+H 1 814.5956485 8.870348201 PC aldehyde M+H - - - C45 H85 N1 O9 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C TG(2:0_18:0_18:0)+NH4 TG(2:0_18:0_18:0)+NH4 TG(38:0)+NH4 1 684.6136655 19.65036922 TG triacyl M+NH4 - - - C41 H82 N1 O6 CC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC PE(18:4_17:0)+H_2 PE(18:4_17:0)+H PE(35:4)+H 1 726.5068335 10.2292197 PE diacyl M+H RM0003076 C40 H73 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN PE(18:1CHO_18:1)+H_2 PE(18:1CHO_18:1)+H PE(36:2CHO)+H 1 758.5330485 7.150335326 PE aldehyde M+H - - - C41 H77 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC(=O))COP(=O)(O)OCCN PI(18:0_20:5)+H PI(18:0_20:5)+H PI(38:5)+H 1 885.5487595 9.260538646 PI diacyl M+H RM0056629 C47 H82 O13 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O TG(5:0_17:1_19:1)+NH4_2 TG(5:0_17:1_19:1)+NH4 TG(41:2)+NH4 1 722.6293155 19.49212025 TG triacyl M+NH4 - - - C44 H84 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(13:1_14:1_15:1)+Na TG(13:1_14:1_15:1)+Na TG(42:3)+Na 1 739.5847115 19.08141885 TG triacyl M+Na - - - C45 H80 Na1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(18:1_19:1_19:1)+NH4_2 TG(18:1_19:1_19:1)+NH4 TG(56:3)+NH4 1 930.8484155 21.49884016 TG triacyl M+NH4 - - - C59 H112 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(18:3_18:3)+H PE(18:3_18:3)+H PE(36:6)+H 1 736.4911835 7.999276835 PE diacyl M+H RM0104550 C41 H71 N1 O8 P1 CC=CC=CC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC)COP(=O)(O)OCCN TG(16:0_17:1_18:1)+Na TG(16:0_17:1_18:1)+Na TG(51:2)+Na 1 867.7412115 21.10151039 TG triacyl M+Na RM0064507 C54 H100 Na1 O6 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC PC(16:2CHO_17:0)+H_3 PC(16:2CHO_17:0)+H PC(33:2CHO)+H 1 758.5330485 7.922247952 PC aldehyde M+H - - - C41 H77 N1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C PE(O-18:1_18:0)+H PE(O-18:1_18:0)+H PE(O-36:1)+H 1 732.5901685 17.77866985 PE alkyl-acyl M+H RM0054645 C41 H83 N1 O7 P1 CC=CCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN PE(17:0_17:1)+H_3 PE(17:0_17:1)+H PE(34:1)+H 1 718.5381335 13.63242318 PE diacyl M+H RM0103851 C39 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN TG(17:1_17:1_19:1)+NH4_4 TG(17:1_17:1_19:1)+NH4 TG(53:3)+NH4 1 888.8014655 21.30009903 TG triacyl M+NH4 RM0176279 C56 H106 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC TG(17:0_20:5_20:5)+Na TG(17:0_20:5_20:5)+Na TG(57:10)+Na 1 935.7099115 20.18809347 TG triacyl M+Na RM0065319 C60 H96 Na1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC DG(18:1_18:1)+NH4_2 DG(18:1_18:1)+NH4 DG(36:2)+NH4 1 638.5718005 17.24164611 DG diacyl M+NH4 RM0033995 C39 H76 N1 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC PC(18:1_19:1)+Na_2 PC(18:1_19:1)+Na PC(37:2)+Na 1 822.5983285 14.75068254 PC diacyl M+Na RM0042470 C45 H86 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C DG(18:0_18:0)+H DG(18:0_18:0)+H DG(36:0)+H 1 625.5765515 19.12541094 DG diacyl M+H RM0033544 C39 H77 O5 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC PE(20:5_15:0)+H_2 PE(20:5_15:0)+H PE(35:5)+H 1 724.4911835 8.453463191 PE diacyl M+H RM0001867 C40 H71 N1 O8 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(15:0_18:1_20:5)+Na TG(15:0_18:1_20:5)+Na TG(53:6)+Na 1 887.7099115 20.50632404 TG triacyl M+Na RM0017296 C56 H96 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC TG(19:1_19:1_20:4)+NH4_2 TG(19:1_19:1_20:4)+NH4 TG(58:6)+NH4 1 952.8327655 20.57382736 TG triacyl M+NH4 - - - C61 H110 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(14:1_16:1_18:2)+NH4_2 TG(14:1_16:1_18:2)+NH4 TG(48:4)+NH4 1 816.7075655 20.07765188 TG triacyl M+NH4 RM0067802 C51 H94 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC PE(18:1_16:0)+H PE(18:1_16:0)+H PE(34:1)+H 1 718.5381335 13.46314614 PE diacyl M+H RM0134725 C39 H77 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(18:1_18:2)+Na PE(18:1_18:2)+Na PE(36:3)+Na 1 764.5200785 9.955602846 PE diacyl M+Na RM0011593 C41 H76 N1 Na1 O8 P1 CC=CC=CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(17:1_17:1_17:1)+NH4_3 TG(17:1_17:1_17:1)+NH4 TG(51:3)+NH4 1 860.7701655 21.29217171 TG triacyl M+NH4 RM0065465 C54 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:1_17:1_18:1)+NH4_4 TG(17:1_17:1_18:1)+NH4 TG(52:3)+NH4 1 874.7858155 21.17612085 TG triacyl M+NH4 RM0070452 C55 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(17:0_17:1_18:1)+H TG(17:0_17:1_18:1)+H TG(52:2)+H 1 859.7749165 21.14954046 TG triacyl M+H RM0070299 C55 H103 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC=CC TG(15:0_17:1_17:1)+Na_1 TG(15:0_17:1_17:1)+Na TG(49:2)+Na 1 839.7099115 20.76413166 TG triacyl M+Na RM0016609 C52 H96 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:1_19:1_20:3)+NH4 TG(17:1_19:1_20:3)+NH4 TG(56:5)+NH4 1 926.8171155 21.07342665 TG triacyl M+NH4 - - - C59 H108 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC PE(20:4_18:0)+H PE(20:4_18:0)+H PE(38:4)+H 1 768.5537835 14.37236787 PE diacyl M+H RM0134782 C43 H79 N1 O8 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(4:0COOH_18:1_20:3)+Na TG(4:0COOH_18:1_20:3)+Na TG(42:4COOH)+Na 1 767.5432415 12.79866298 TG carboxylic M+Na - - - C45 H76 Na1 O8 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC=CC)OC(=O)CCC(=O)O TG(13:1_15:1_17:1)+Na TG(13:1_15:1_17:1)+Na TG(45:3)+Na 1 781.6316615 20.08131668 TG triacyl M+Na - - - C48 H86 Na1 O6 CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC AcCa(23:0)+H AcCa(23:0)+H AcCa(23:0)+H 1 498.4516855 6.683505548 AcCa Fatty acyl carnitines M+H RM0154073 C30 H60 N1 O4 CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C AcCa(20:1)+H AcCa(20:1)+H AcCa(20:1)+H 1 454.3890855 3.90346249 AcCa Fatty acyl carnitines M+H RM0154154 C27 H52 N1 O4 CC=CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(17:0_18:1_19:1)+Na TG(17:0_18:1_19:1)+Na TG(54:2)+Na 1 909.7881615 21.33147326 TG triacyl M+Na RM0163254 C57 H106 Na1 O6 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PE(18:1_18:1)+H_2 PE(18:1_18:1)+H PE(36:2)+H 1 744.5537835 15.24850229 PE diacyl M+H RM0134757 C41 H79 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN DG(2:0_18:1)+H_2 DG(2:0_18:1)+H DG(20:1)+H 1 399.3105015 3.418481722 DG diacyl M+H RM0174474 C23 H43 O5 CC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(8:0_8:0_8:0)+NH4 TG(8:0_8:0_8:0)+NH4 TG(24:0)+NH4 1 488.3945655 7.224077223 TG triacyl M+NH4 RM0134214 C27 H54 N1 O6 CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC PE(10:2CHO_17:0)+H PE(10:2CHO_17:0)+H PE(27:2CHO)+H 1 632.3921985 3.900703219 PE aldehyde M+H - - - C32 H59 N1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CC=CC(=O))COP(=O)(O)OCCN TG(15:0_16:1_17:1)+Na TG(15:0_16:1_17:1)+Na TG(48:2)+Na 1 825.6942615 20.69297092 TG triacyl M+Na RM0098661 C51 H94 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(14:1_15:1_16:1)+Na TG(14:1_15:1_16:1)+Na TG(45:3)+Na 1 781.6316615 19.90298047 TG triacyl M+Na RM0064715 C48 H86 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC PC(7:2CHO_26:0)+H PC(7:2CHO_26:0)+H PC(33:2CHO)+H 1 772.5486985 6.440507412 PC aldehyde M+H - - - C42 H79 N1 O9 P1 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C DAP(O-4:0_O-4:0)+H_2 DAP(O-4:0_O-4:0)+H DAP(O-8:0)+H 1 279.1590865 4.865062397 DAP dialkyl M+H - - - C16 H23 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC TG(14:1_15:1_17:1)+NH4_3 TG(14:1_15:1_17:1)+NH4 TG(46:3)+NH4 1 790.6919155 19.88270802 TG triacyl M+NH4 RM0112270 C49 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PC(19:1_19:1)+Na_3 PC(19:1_19:1)+Na PC(38:2)+Na 1 836.6139785 15.90894397 PC diacyl M+Na RM0001025 C46 H88 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC=CC)COP(=O)([O-])OCC[N+](C)(C)C PE(17:0_18:1)+Na_1 PE(17:0_18:1)+Na PE(35:1)+Na 1 754.5357285 14.96968829 PE diacyl M+Na RM0028162 C40 H78 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PE(17:0_18:1)+Na_2 PE(17:0_18:1)+Na PE(35:1)+Na 1 754.5357285 15.01621005 PE diacyl M+Na RM0028162 C40 H78 N1 Na1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(17:1_17:1_17:1)+NH4_4 TG(17:1_17:1_17:1)+NH4 TG(51:3)+NH4 1 860.7701655 21.24371224 TG triacyl M+NH4 RM0065465 C54 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:1_19:1_20:3)+NH4 TG(18:1_19:1_20:3)+NH4 TG(57:5)+NH4 1 940.8327655 21.12425579 TG triacyl M+NH4 RM0117072 C60 H110 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC=CC TG(18:0_17:1_19:1)+NH4 TG(18:0_17:1_19:1)+NH4 TG(54:2)+NH4 1 904.8327655 21.41145109 TG triacyl M+NH4 - - - C57 H110 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC=CC DAP(O-4:0_O-4:0)+H_3 DAP(O-4:0_O-4:0)+H DAP(O-8:0)+H 1 279.1590865 21.90427481 DAP dialkyl M+H - - - C16 H23 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC PFAA(22:1)+H_1 PFAA(22:1)+H PFAA(22:1)+H 1 338.3417405 3.829303499 PFAA Primary amides M+H - - - C22 H44 N1 O1 NC(=O)CCCCCCCCCCCCCCCCCCC=CC TG(18:0_18:2_18:3)+NH4 TG(18:0_18:2_18:3)+NH4 TG(54:5)+NH4 1 898.7858155 20.49883492 TG triacyl M+NH4 RM0006868 C57 H104 N1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC PE(18:2_17:0)+H PE(18:2_17:0)+H PE(35:2)+H 1 730.5381335 14.18553425 PE diacyl M+H RM0134811 C40 H77 N1 O8 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC=CC=CC)COP(=O)(O)OCCN DG(2:0_18:1)+H_3 DG(2:0_18:1)+H DG(20:1)+H 1 399.3105015 3.744414666 DG diacyl M+H RM0174474 C23 H43 O5 CC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC DG(17:1_17:1)+NH4_2 DG(17:1_17:1)+NH4 DG(34:2)+NH4 1 610.5405005 16.20325117 DG diacyl M+NH4 - - - C37 H72 N1 O5 CC=CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC=CC TG(15:1_15:1_17:1)+NH4_2 TG(15:1_15:1_17:1)+NH4 TG(47:3)+NH4 1 804.7075655 20.56464987 TG triacyl M+NH4 RM0016979 C50 H94 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(15:1_17:1_17:1)+Na TG(15:1_17:1_17:1)+Na TG(49:3)+Na 1 837.6942615 20.74407831 TG triacyl M+Na RM0064062 C52 H94 Na1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(14:1_15:1_15:1)+Na_1 TG(14:1_15:1_15:1)+Na TG(44:3)+Na 1 767.6160115 19.63928525 TG triacyl M+Na RM0041770 C47 H84 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(19:1_20:1_20:5)+NH4_2 TG(19:1_20:1_20:5)+NH4 TG(59:7)+NH4 1 964.8327655 21.07917153 TG triacyl M+NH4 - - - C62 H110 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCCCCCCCCCCCC=CC PI(20:4_18:1)+NH4 PI(20:4_18:1)+NH4 PI(38:5)+NH4 1 902.5753085 8.590595012 PI diacyl M+NH4 RM0057263 C47 H85 N1 O13 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC=CC=CC=CC=CC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O TG(14:1_14:1_15:1)+NH4_1 TG(14:1_14:1_15:1)+NH4 TG(43:3)+NH4 1 748.6449655 19.30738175 TG triacyl M+NH4 RM0016359 C46 H86 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(14:1_14:1_14:1)+Na TG(14:1_14:1_14:1)+Na TG(42:3)+Na 1 739.5847115 18.80364129 TG triacyl M+Na RM0022861 C45 H80 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCC=CC PE(4:0_20:1CHO)+H PE(4:0_20:1CHO)+H PE(24:1CHO)+H 1 592.3608985 3.805926165 PE aldehyde M+H - - - C29 H55 N1 O9 P1 CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC(=O))COP(=O)(O)OCCN PE(O-17:0_18:1)+H_1 PE(O-17:0_18:1)+H PE(O-35:1)+H 1 718.5745185 16.41796233 PE alkyl-acyl M+H RM0043666 C40 H81 N1 O7 P1 CCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN AcCa(12:0)+H AcCa(12:0)+H AcCa(12:0)+H 1 344.2795355 1.211565675 AcCa Fatty acyl carnitines M+H 168381 RM0154012 C19 H38 N1 O4 CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C TG(19:1_20:1_20:4)+NH4 TG(19:1_20:1_20:4)+NH4 TG(59:6)+NH4 1 966.8484155 21.13643635 TG triacyl M+NH4 RM0117083 C62 H112 N1 O6 CC=CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCCCCCC=CC TG(14:1_15:1_15:1)+Na_2 TG(14:1_15:1_15:1)+Na TG(44:3)+Na 1 767.6160115 19.7439225 TG triacyl M+Na RM0041770 C47 H84 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(17:1_20:4_20:5)+NH4_3 TG(17:1_20:4_20:5)+NH4 TG(57:10)+NH4 1 930.7545155 20.08225983 TG triacyl M+NH4 RM0025418 C60 H100 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC TG(9:0_15:0_18:2)+NH4 TG(9:0_15:0_18:2)+NH4 TG(42:2)+NH4 1 736.6449655 19.23977415 TG triacyl M+NH4 - - - C45 H86 N1 O6 CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC=CC=CC DAP(O-4:0_O-4:0)+H_4 DAP(O-4:0_O-4:0)+H DAP(O-8:0)+H 1 279.1590865 5.444215601 DAP dialkyl M+H - - - C16 H23 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC PE(7:1CHO_19:1)+H PE(7:1CHO_19:1)+H PE(26:2CHO)+H 1 618.3765485 4.084740092 PE aldehyde M+H - - - C31 H57 N1 O9 P1 CC=CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CC(=O))COP(=O)(O)OCCN TG(18:1_18:1_19:1)+NH4_4 TG(18:1_18:1_19:1)+NH4 TG(55:3)+NH4 1 916.8327655 21.36053067 TG triacyl M+NH4 RM0117100 C58 H110 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC=CC PFAA(20:2)+H PFAA(20:2)+H PFAA(20:2)+H 1 308.2947905 1.078305776 PFAA Primary amides M+H - - - C20 H38 N1 O1 NC(=O)CCCCCCCCCCCCCCC=CC=CC PFAA(22:1)+H_2 PFAA(22:1)+H PFAA(22:1)+H 1 338.3417405 6.592365157 PFAA Primary amides M+H - - - C22 H44 N1 O1 NC(=O)CCCCCCCCCCCCCCCCCCC=CC AcCa(19:0)+H_2 AcCa(19:0)+H AcCa(19:0)+H 1 442.3890855 4.255243248 AcCa Fatty acyl carnitines M+H 145720491 RM0154010 C26 H52 N1 O4 CCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C PE(7:2CHO_17:0)+H PE(7:2CHO_17:0)+H PE(24:2CHO)+H 1 604.3608985 3.642456562 PE aldehyde M+H - - - C30 H55 N1 O9 P1 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CC=CC(=O))COP(=O)(O)OCCN TG(15:0_17:1_18:1)+NH4_3 TG(15:0_17:1_18:1)+NH4 TG(50:2)+NH4 1 848.7701655 21.1620357 TG triacyl M+NH4 RM0114857 C53 H102 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(18:1_19:1_20:2)+NH4 TG(18:1_19:1_20:2)+NH4 TG(57:4)+NH4 1 942.8484155 21.34290855 TG triacyl M+NH4 RM0163230 C60 H112 N1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC=CC TG(15:0_17:1_18:1)+Na TG(15:0_17:1_18:1)+Na TG(50:2)+Na 1 853.7255615 20.93522366 TG triacyl M+Na RM0114857 C53 H98 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(18:1_28:4)+H DG(18:1_28:4)+H DG(46:5)+H 1 755.6548015 16.51800609 DG diacyl M+H - - - C49 H87 O5 CC=CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCC=CC=CC=CC=CC TG(14:1_14:1_15:1)+NH4_2 TG(14:1_14:1_15:1)+NH4 TG(43:3)+NH4 1 748.6449655 19.19578758 TG triacyl M+NH4 RM0016359 C46 H86 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCC=CC TG(17:0_16:1_19:2)+NH4 TG(17:0_16:1_19:2)+NH4 TG(52:3)+NH4 1 874.7858155 21.38566719 TG triacyl M+NH4 - - - C55 H104 N1 O6 CC=CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC=CC=CC TG(17:1_17:1_18:1)+NH4_5 TG(17:1_17:1_18:1)+NH4 TG(52:3)+NH4 1 874.7858155 21.46949074 TG triacyl M+NH4 RM0070452 C55 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC TG(15:0_17:1_17:1)+NH4_4 TG(15:0_17:1_17:1)+NH4 TG(49:2)+NH4 1 834.7545155 21.05506682 TG triacyl M+NH4 RM0016609 C52 H100 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(O-7:0_10:1_17:1)+NH4 TG(O-7:0_10:1_17:1)+NH4 TG(O-34:2)+NH4 1 610.5405005 16.20278966 TG alkyl-acyl M+NH4 - - - C37 H72 N1 O5 CCCCCCCOCC(COC(=O)CCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PE(20:5_16:0)+H_3 PE(20:5_16:0)+H PE(36:5)+H 1 738.5068335 9.730431138 PE diacyl M+H RM0044209 C41 H73 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(18:0_18:1_18:3)+NH4 TG(18:0_18:1_18:3)+NH4 TG(54:4)+NH4 1 900.8014655 20.82803619 TG triacyl M+NH4 RM0114317 C57 H106 N1 O6 CC=CC=CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCCC PE(P-8:0_10:0)+H PE(P-8:0_10:0)+H PE(P-18:0)+H 1 480.3084685 3.903904585 PE alkenyl-acyl M+H - - - C23 H47 N1 O7 P1 CCCCCCC=COC(COC(=O)CCCCCCCCC)COP(=O)(O)OCCN PE(O-15:1_20:0)+Na PE(O-15:1_20:0)+Na PE(O-35:1)+Na 1 740.5564635 16.14640701 PE alkyl-acyl M+Na - - - C40 H80 N1 Na1 O7 P1 CC=CCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN DAP(O-4:0_O-4:0)+H_5 DAP(O-4:0_O-4:0)+H DAP(O-8:0)+H 1 279.1590865 26.02699961 DAP dialkyl M+H - - - C16 H23 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC DAP(O-4:0_O-4:0)+H_6 DAP(O-4:0_O-4:0)+H DAP(O-8:0)+H 1 279.1590865 26.12131721 DAP dialkyl M+H - - - C16 H23 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC PE(18:1_17:1)+H PE(18:1_17:1)+H PE(35:2)+H 1 730.5381335 12.36953757 PE diacyl M+H RM0001943 C40 H77 N1 O8 P1 CC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN TG(14:1_14:1_16:1)+Na TG(14:1_14:1_16:1)+Na TG(44:3)+Na 1 767.6160115 19.51798213 TG triacyl M+Na RM0067781 C47 H84 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC PE(18:0CHO_18:1)+H PE(18:0CHO_18:1)+H PE(36:1CHO)+H 1 760.5486985 8.522346966 PE aldehyde M+H - - - C41 H79 N1 O9 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC(=O))COP(=O)(O)OCCN TG(14:1_16:1_17:1)+Na TG(14:1_16:1_17:1)+Na TG(47:3)+Na 1 809.6629615 20.2892179 TG triacyl M+Na RM0063572 C50 H90 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC PE(O-17:0_18:1)+H_2 PE(O-17:0_18:1)+H PE(O-35:1)+H 1 718.5745185 16.22635559 PE alkyl-acyl M+H RM0043666 C40 H81 N1 O7 P1 CCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC=CC)COP(=O)(O)OCCN PC(26:1_9:0CHO)+H PC(26:1_9:0CHO)+H PC(35:1CHO)+H 1 788.5799985 7.55846886 PC aldehyde M+H - - - C43 H83 N1 O9 P1 CC=CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O))COP(=O)([O-])OCC[N+](C)(C)C PC(15:0_22:2CHO)+H PC(15:0_22:2CHO)+H PC(37:2CHO)+H 1 814.5956485 8.140895367 PC aldehyde M+H - - - C45 H85 N1 O9 P1 CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CC=CC(=O))COP(=O)([O-])OCC[N+](C)(C)C DG(18:1_18:2)+NH4_2 DG(18:1_18:2)+NH4 DG(36:3)+NH4 1 636.5561505 16.20714973 DG diacyl M+NH4 RM0034254 C39 H74 N1 O5 CC=CC=CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC TG(8:0_8:0_10:0)+NH4 TG(8:0_8:0_10:0)+NH4 TG(26:0)+NH4 1 516.4258655 9.178086659 TG triacyl M+NH4 RM0117097 C29 H58 N1 O6 CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCCCC DG(16:0_18:1)+NH4_2 DG(16:0_18:1)+NH4 DG(34:1)+NH4 1 612.5561505 16.77204352 DG diacyl M+NH4 RM0034278 C37 H74 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC=CC CerPE(d17:1_21:0)+H CerPE(d17:1_21:0)+H CerPE(d38:1)+H 1 717.5905025 15.44810971 CerPE Ceramide phosphoethanolamines M+H - - - C40 H82 N2 O6 P1 CCCCCCCCCCCCC=CC(C(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCC)O TG(17:1_18:1_18:1)+H TG(17:1_18:1_18:1)+H TG(53:3)+H 1 871.7749165 21.0804545 TG triacyl M+H RM0028261 C56 H103 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DAP(O-12:0_O-4:0)+H_11 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 26.4202894 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC TG(17:1_17:1_18:2)+NH4_2 TG(17:1_17:1_18:2)+NH4 TG(52:4)+NH4 1 872.7701655 20.99368756 TG triacyl M+NH4 RM0065477 C55 H102 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC=CC TG(19:2_19:2_19:2)+NH4 TG(19:2_19:2_19:2)+NH4 TG(57:6)+NH4 1 938.8171155 21.6838522 TG triacyl M+NH4 - - - C60 H108 N1 O6 CC=CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC=CC)OC(=O)CCCCCCCCCCCCCC=CC=CC TG(15:1_17:1_17:1)+NH4_2 TG(15:1_17:1_17:1)+NH4 TG(49:3)+NH4 1 832.7388655 20.89599099 TG triacyl M+NH4 RM0064062 C52 H98 N1 O6 CC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(18:1_18:1_20:5)+Na TG(18:1_18:1_20:5)+Na TG(56:7)+Na 1 927.7412115 20.68679765 TG triacyl M+Na RM0113226 C59 H100 Na1 O6 CC=CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCC=CC=CC=CC=CC=CC PC(18:1_20:5)+Na PC(18:1_20:5)+Na PC(38:6)+Na 1 828.5513785 9.582839265 PC diacyl M+Na RM0000028 C46 H80 N1 Na1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)([O-])OCC[N+](C)(C)C TG(14:1_16:1_16:1)+NH4 TG(14:1_16:1_16:1)+NH4 TG(46:3)+NH4 1 790.6919155 20.05789688 TG triacyl M+NH4 RM0073412 C49 H92 N1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCC=CC TG(15:0_17:0_17:1)+NH4 TG(15:0_17:0_17:1)+NH4 TG(49:1)+NH4 1 836.7701655 21.29387457 TG triacyl M+NH4 RM0021830 C52 H102 N1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCCC PE(18:1_20:5)+H PE(18:1_20:5)+H PE(38:6)+H 1 764.5224835 9.998528188 PE diacyl M+H RM0090268 C43 H75 N1 O8 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN TG(5:0_15:0_18:0)+NH4 TG(5:0_15:0_18:0)+NH4 TG(38:0)+NH4 1 684.6136655 19.84431992 TG triacyl M+NH4 - - - C41 H82 N1 O6 CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC LPE(18:1)+H_4 LPE(18:1)+H LPE(18:1)+H 1 480.3084685 3.894648687 LPE monoacyl M+H RM0104274 C23 H47 N1 O7 P1 CC=CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN TG(15:0_17:1_17:1)+Na_2 TG(15:0_17:1_17:1)+Na TG(49:2)+Na 1 839.7099115 20.87535525 TG triacyl M+Na RM0016609 C52 H96 Na1 O6 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCC=CC TG(17:1_17:1_18:1)+NH4_6 TG(17:1_17:1_18:1)+NH4 TG(52:3)+NH4 1 874.7858155 21.28576057 TG triacyl M+NH4 RM0070452 C55 H104 N1 O6 CC=CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC DG(16:0_18:2)+NH4_2 DG(16:0_18:2)+NH4 DG(34:2)+NH4 1 610.5405005 15.95850021 DG diacyl M+NH4 RM0134351 C37 H72 N1 O5 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC=CC=CC DAP(O-12:0_O-4:0)+H_12 DAP(O-12:0_O-4:0)+H DAP(O-16:0)+H 1 391.2842865 5.730390225 DAP dialkyl M+H - - - C24 H39 O4 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC PE(20:5_16:0)+H_4 PE(20:5_16:0)+H PE(36:5)+H 1 738.5068335 9.617338825 PE diacyl M+H RM0044209 C41 H73 N1 O8 P1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CC=CC=CC=CC=CC)COP(=O)(O)OCCN PE(7:2CHO_18:0)+H PE(7:2CHO_18:0)+H PE(25:2CHO)+H 1 618.3765485 4.084390019 PE aldehyde M+H - - - C31 H57 N1 O9 P1 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CC=CC(=O))COP(=O)(O)OCCN TG(14:1_17:1_18:1)+Na TG(14:1_17:1_18:1)+Na TG(49:3)+Na 1 837.6942615 20.63722947 TG triacyl M+Na RM0098295 C52 H94 Na1 O6 CC=CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC=CC)OC(=O)CCCCCCCCCCCCCCC=CC METABOLITES_END #END