#METABOLOMICS WORKBENCH hormel101_20170203_114724 DATATRACK_ID:839 STUDY_ID:ST000549 ANALYSIS_ID:AN000839 PROJECT_ID:PR000383 VERSION 1 CREATED_ON February 9, 2017, 9:21 am #PROJECT PR:PROJECT_TITLE Mayo Metabolomics Pilot and Feasibility Award: Role of muscle insulin and IGF-1 PR:PROJECT_TITLE signaling on serum and muscle metabolite profiles PR:PROJECT_SUMMARY Skeletal muscle insulin resistance is a cardinal feature of the pathogenesis of PR:PROJECT_SUMMARY type 2 diabetes. Insulin and IGF-1 signal through their highly related receptors PR:PROJECT_SUMMARY to impact on many aspects of muscle physiology including glucose homeostasis, PR:PROJECT_SUMMARY protein metabolism, and mitochondrial function. Early physiological studies, as PR:PROJECT_SUMMARY well as recent large scale metabolomic studies, have shown that changes in PR:PROJECT_SUMMARY specific pools of circulating amino acid metabolites, such as branched chain PR:PROJECT_SUMMARY amino acids (BCAAs), are associated with insulin resistance and can predict PR:PROJECT_SUMMARY future diabetes, but the source and impact of these changes in amino acids are PR:PROJECT_SUMMARY not fully understood. We have recently generated mice which lack insulin PR:PROJECT_SUMMARY receptors (IR) or IGF-1 receptors (IGF1R) or both in muscle using Cre lox PR:PROJECT_SUMMARY recombination. We find that mice which lack only IR or only IGF1R in muscle show PR:PROJECT_SUMMARY minimal changes in muscle mass, but do display increases in proteasomal activity PR:PROJECT_SUMMARY and autophagy in muscle. On the other hand, mice with combined loss of both IR PR:PROJECT_SUMMARY and IGF1R display markedly decreased muscle mass and enhanced degradation PR:PROJECT_SUMMARY pathways, associated with increased protein synthesis, and display changes in PR:PROJECT_SUMMARY mitochondrial gene regulation, indicating that both receptors can compensate to PR:PROJECT_SUMMARY some extent for loss of the other. We hypothesize that IR and IGF1R signaling in PR:PROJECT_SUMMARY muscle coordinate amino acid metabolite turnover and fuel PR:PROJECT_SUMMARY substrate/mitochondrial metabolism, and that in insulin resistant states, PR:PROJECT_SUMMARY changes in protein metabolism and mitochondrial function disrupt relative PR:PROJECT_SUMMARY proportions of amino acid metabolites, which in turn contribute to diabetes risk PR:PROJECT_SUMMARY and/or muscle pathology. We propose to test this hypothesis by performing large PR:PROJECT_SUMMARY scale metabolomics on serum and muscle from mice lacking IR, IGF1R or both in PR:PROJECT_SUMMARY muscle, and we will compare these changes to both insulin deficient PR:PROJECT_SUMMARY streptozotocin-treated and insulin resistant diet-induced obese mouse models. To PR:PROJECT_SUMMARY gain insight into which pathways are critical for metabolite changes, we will PR:PROJECT_SUMMARY also treat mice with specific inhibitors of mTOR, a common protein synthesis PR:PROJECT_SUMMARY pathway, as well as inhibitors of autophagy or proteasomal degradation and PR:PROJECT_SUMMARY determine metabolite concentrations in muscle and serum. These studies will PR:PROJECT_SUMMARY identify specific pathways that impact amino acid and mitochondrial metabolite PR:PROJECT_SUMMARY flux which are perturbed in insulin resistant states, and potentially provide PR:PROJECT_SUMMARY insights into how changes in amino acid metabolites contribute to diabetes risk. PR:INSTITUTE Mayo Clinic PR:LAST_NAME O''Neill PR:FIRST_NAME Brian PR:ADDRESS One Joslin Place, Boston, MA 02215 PR:EMAIL brian.o''neill@joslin.harvard.edu PR:PHONE 617-309-2400 #STUDY ST:STUDY_TITLE Investigating large scale metabolomics in mice serum lacking insulin receptors ST:STUDY_TITLE and IGF-1 receptors ST:STUDY_SUMMARY Large scale metabolomics from control, M-IR-/-, M-IGF1R-/- , and MIGIRKO mice ST:STUDY_SUMMARY serum. Also compare mice on a chow diet to mice on a high fat diet (HFD). ST:INSTITUTE Mayo Clinic ST:LAST_NAME O''Neill ST:FIRST_NAME Brian ST:ADDRESS One Joslin Place, Boston, MA 02215 ST:EMAIL brian.o''neill@joslin.harvard.edu ST:PHONE 617-309-2400 #SUBJECT SU:SUBJECT_TYPE Mouse SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10900 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 867 19jan15_44 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 740 19jan15_45 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1191 19jan15_46 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1227 19jan15_47 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1192 19jan15_48 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 783 19jan15_49 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 869 19jan15_50 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 865 19jan15_51 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 780 19jan15_52 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 743 19jan15_53 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 741 19jan15_54 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 189 19jan15_55 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1236 19jan15_56 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 817 19jan15_57 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 546 19jan15_58 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 723 19jan15_59 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 721 19jan15_60 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 813 19jan15_61 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 814 19jan15_62 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 742 19jan15_63 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 193 19jan15_64 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1195 19jan15_65 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 722 19jan15_66 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1226 19jan15_67 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 719 19jan15_68 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1228 19jan15_69 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 185 19jan15_70 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 747 19jan15_71 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 191 19jan15_72 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1238 19jan15_73 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 781 19jan15_74 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1193 19jan15_75 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1221 19jan15_76 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 549 19jan15_77 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 850 19jan15_78 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 864 19jan15_79 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 551 19jan15_80 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 867 19jan15_04-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 740 19jan15_05 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1191 19jan15_06 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1227 19jan15_07 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1192 19jan15_08 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 783 19jan15_09 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 869 19jan15_10 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 865 19jan15_11 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 780 19jan15_12 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 743 19jan15_13 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 741 19jan15_14 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 189 19jan15_15 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1236 19jan15_16 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 817 19jan15_17 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 546 19jan15_18 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 723 19jan15_19 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 721 19jan15_20 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 813 19jan15_21 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 814 19jan15_22 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 742 19jan15_23 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 193 19jan15_24 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1195 19jan15_25 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 722 19jan15_26 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1226 19jan15_27 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 719 19jan15_28 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1228 19jan15_29 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 185 19jan15_30 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 747 19jan15_31 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 191 19jan15_32 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1238 19jan15_33 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 781 19jan15_34 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1193 19jan15_35 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1221 19jan15_36 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 549 19jan15_37 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 850 19jan15_38 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 864 19jan15_39 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 551 19jan15_40 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 867 05jan15_04-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 867 05jan15_04-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 740 05jan15_05-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 740 05jan15_05-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1191 05jan15_06-r001 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1191 05jan15_06-r002 Group:CD | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1227 05jan15_07-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1227 05jan15_07-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1192 05jan15_08-r001 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1192 05jan15_08-r002 Group:CD | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 783 05jan15_09-r001 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 783 05jan15_09-r002 Group:Control | Genotype:IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 869 05jan15_10-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 869 05jan15_10-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 865 05jan15_11-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 865 05jan15_11-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 780 05jan15_12-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 780 05jan15_12-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 743 05jan15_13-r001 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 743 05jan15_13-r002 Group:Control | Genotype:IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 741 05jan15_14-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 741 05jan15_14-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 189 05jan15_15-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 189 05jan15_15-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1236 05jan15_16-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1236 05jan15_16-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 817 05jan15_17-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 817 05jan15_17-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 546 05jan15_18-r001 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 546 05jan15_18-r002 Group:Control | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 723 05jan15_19-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 723 05jan15_19-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 721 05jan15_20-r001 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 721 05jan15_20-r002 Group:Control | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 813 05jan15_21-r001 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 813 05jan15_21-r002 Group:Control | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 814 05jan15_22-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 814 05jan15_22-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 742 05jan15_23-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 742 05jan15_23-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 193 05jan15_24-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 193 05jan15_24-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1195 05jan15_25-r001 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1195 05jan15_25-r002 Group:CD | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 722 05jan15_26-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 722 05jan15_26-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1226 05jan15_27-r001 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1226 05jan15_27-r002 Group:Control | Genotype:IRlox IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 719 05jan15_28-r001 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 719 05jan15_28-r002 Group:Control | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1228 05jan15_29-r001 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1228 05jan15_29-r002 Group:Control | Genotype:IRlox IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 185 05jan15_30-r001 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 185 05jan15_30-r002 Group:Control | Genotype:IRlox IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 747 05jan15_31-r001 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 747 05jan15_31-r002 Group:Control | Genotype:IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 191 05jan15_32-r001 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 191 05jan15_32-r002 Group:Control | Genotype:IRlox IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1238 05jan15_33-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1238 05jan15_33-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 781 05jan15_34-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 781 05jan15_34-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1193 05jan15_35-r001 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1193 05jan15_35-r002 Group:CD | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1221 05jan15_36-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1221 05jan15_36-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 549 05jan15_37-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 549 05jan15_37-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 850 05jan15_38-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 850 05jan15_38-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 864 05jan15_39-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 864 05jan15_39-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS - 05jan15_40-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS - 05jan15_40-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 #COLLECTION CO:COLLECTION_SUMMARY mouse serum #TREATMENT TR:TREATMENT_SUMMARY Mice lacking insulin receptors (IR -/- genotype, IRKO group), or IGF-1 receptors TR:TREATMENT_SUMMARY (ICF-1 -/- genotype, IGFRKO group), or both (MIGIRKO group) were generated using TR:TREATMENT_SUMMARY Cre lox recombination. Controls (group control and CD) were IR lox/lox, IGF-1 TR:TREATMENT_SUMMARY lox/lox, or both genotypes. Additional, 10 mice were included that were fed TR:TREATMENT_SUMMARY different diets for 8 weeks, chow or high fat diet (group HFD). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY large scale metabolomics in mouse serum #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Waters Acquity HSS C18 (150 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples 05jan15_04-r001 05jan15_04-r002 05jan15_05-r001 05jan15_05-r002 05jan15_06-r001 05jan15_06-r002 05jan15_07-r001 05jan15_07-r002 05jan15_08-r001 05jan15_08-r002 05jan15_09-r001 05jan15_09-r002 05jan15_10-r001 05jan15_10-r002 05jan15_11-r001 05jan15_11-r002 05jan15_12-r001 05jan15_12-r002 05jan15_13-r001 05jan15_13-r002 05jan15_14-r001 05jan15_14-r002 05jan15_15-r001 05jan15_15-r002 05jan15_16-r001 05jan15_16-r002 05jan15_17-r001 05jan15_17-r002 05jan15_18-r001 05jan15_18-r002 05jan15_19-r001 05jan15_19-r002 05jan15_20-r001 05jan15_20-r002 05jan15_21-r001 05jan15_21-r002 05jan15_22-r001 05jan15_22-r002 05jan15_23-r001 05jan15_23-r002 05jan15_24-r001 05jan15_24-r002 05jan15_25-r001 05jan15_25-r002 05jan15_26-r001 05jan15_26-r002 05jan15_27-r001 05jan15_27-r002 05jan15_28-r001 05jan15_28-r002 05jan15_29-r001 05jan15_29-r002 05jan15_30-r001 05jan15_30-r002 05jan15_31-r001 05jan15_31-r002 05jan15_32-r001 05jan15_32-r002 05jan15_33-r001 05jan15_33-r002 05jan15_34-r001 05jan15_34-r002 05jan15_35-r001 05jan15_35-r002 05jan15_36-r001 05jan15_36-r002 05jan15_37-r001 05jan15_37-r002 05jan15_38-r001 05jan15_38-r002 05jan15_39-r001 05jan15_39-r002 05jan15_40-r001 05jan15_40-r002 Factors Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:IGFRKO | Genotype:IGFR -/- Group:IGFRKO | Genotype:IGFR -/- Group:CD | Genotype:Irlox Group:CD | Genotype:Irlox Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:CD | Genotype:Irlox Group:CD | Genotype:Irlox Group:Control | Genotype:IGFR lox Group:Control | Genotype:IGFR lox Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:IGFRKO | Genotype:IGFR -/- Group:IGFRKO | Genotype:IGFR -/- Group:Control | Genotype:IGFR lox Group:Control | Genotype:IGFR lox Group:IGFRKO | Genotype:IGFR -/- Group:IGFRKO | Genotype:IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:IRKO | Genotype:IR -/- Group:IRKO | Genotype:IR -/- Group:Control | Genotype:Irlox Group:Control | Genotype:Irlox Group:IRKO | Genotype:IR -/- Group:IRKO | Genotype:IR -/- Group:Control | Genotype:Irlox Group:Control | Genotype:Irlox Group:Control | Genotype:Irlox Group:Control | Genotype:Irlox Group:IRKO | Genotype:IR -/- Group:IRKO | Genotype:IR -/- Group:IGFRKO | Genotype:IGFR -/- Group:IGFRKO | Genotype:IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:CD | Genotype:Irlox Group:CD | Genotype:Irlox Group:IRKO | Genotype:IR -/- Group:IRKO | Genotype:IR -/- Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:Irlox Group:Control | Genotype:Irlox Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:IGFR lox Group:Control | Genotype:IGFR lox Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:IRlox IGFR lox Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:IGFRKO | Genotype:IGFR -/- Group:IGFRKO | Genotype:IGFR -/- Group:CD | Genotype:Irlox Group:CD | Genotype:Irlox Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:IRKO | Genotype:IR -/- Group:IRKO | Genotype:IR -/- Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox 132.9949@0.79282135 1 1 1 1 1 1 1 1 1 1 1 1 3299 1 2921 1 3393 1 1 1 4117 4113 1 1 1 1 1 1 1 2611 2851 1 2978 1 1 1 1 1 1 4449 1 1 1 1 1 3149 1 1 2744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9886@0.8075396 1 1 4996 1 1 1 8533 8053 1 4407 4335 4125 1 1 1 1 5805 1 4653 1 1 5939 3664 3579 1 1 1 4552 1 1 1 1 1 6180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3959 4347 4776 1 3923 3912 1 1 1 4117 6606 6323 4126 1 1 4481 3702 1 1 5650 1 5140 1 1 6516 6304 119.0156@0.8038769 1 1 1 1 1 1 4583 1 1 2474 1 1 1 2661 2650 2400 3286 1 1 1 3287 3319 1 1 1 1 1 1 1 2446 2439 1 1 1 1 1 1 1 4142 3853 1 1 1 1 3077 2948 1 2269 2317 2319 3203 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3133 3099 1 1 1 1 1 1 109.0009@0.8081531 1 1 1 1 1 1 3318 3321 1 2554 1 1 3890 3836 3211 1 3600 3964 3018 3145 1 4290 2962 1 1 1 1 3201 2556 1 3599 3510 3558 1 1 2057 1 1 1 3610 1 1 1 1 3006 1 1 2122 2932 2769 3317 3503 2831 3091 1 1 2587 1 2657 2605 2565 2676 1 1 1 2451 1 1 2726 2808 2597 1 3522 3554 176.9398@0.8099576 1 1965 1 1 1778 1 1 1 1956 1878 1 1 2695 1 1 1 2146 2286 1 1 1 2210 1 1 1 1 1 1 1 1 1 1 2011 2130 1 1 1 1 1779 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 2271 2191 1 1 1 1 1920 1962 1 1 2464 1 1 1838 1 1 1 1 83.9524@0.8082487 8342 9075 8792 9054 7742 7460 15051 15695 7990 8282 7844 8856 15722 14789 1 1 11527 1 1 8109 11109 1 6091 6086 9254 8722 1 1 8160 8076 8646 8979 10030 10119 5453 5981 1 5619 1 8594 4336 1 1 2863 7337 7412 1 1 8256 7755 7821 7601 6705 6880 6963 6751 8029 1 11312 11781 1 1 1 1 1 7983 11792 11618 10265 10413 8798 8803 13357 13133 111.079@0.83428556 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 2226 1 2636 2670 1 1 1 1 1 1 3393 1 1 1 4474 1 1 1 1 1 3295 1 1 1 1 1 1 1 1 2049 1 1 1 1 1 1 1 4362 1 1 4825 4575 1 1 1 1 1 1 2636 1 1 1 1 1 1 1 1 1 1 1 115.063@0.83447665 1 1 1 1 3564 1 1 1 3550 1 1 1 1 3491 1 1 2134 1 1 1 1 1 1 1 2982 1 3303 1 4009 3633 1 1 1 3248 2581 1 4355 6374 3240 5066 4189 1 1 3133 2627 1890 4348 4762 3732 1 4622 3323 1 1 1 1 1 4057 1 1 1 1 3162 4100 1 1 1 2245 1 1 1 1 2698 1 146.1051@0.84612364 5869 1 10921 1 1 1 1 1 8090 1 1 1 7427 1 9634 1 11105 11961 15561 1 11601 1 1 1 12755 1 14646 1 8160 1 8827 5499 1 8824 8830 1 8018 1 12031 1 1 1 4074 1 7201 7285 1 1 10152 5684 13788 1 13551 1 12082 1 1 1 1 1 8761 1 7934 1 6279 1 1 6688 8588 1 1 1 1 1 Piperideine 3562 3408 5703 6757 3972 3889 2718 1 4321 4327 6134 6198 4102 4409 4965 1 5666 6278 1 6966 5990 6031 6337 6589 6229 6623 7105 6999 1 4670 3909 3811 4266 4051 4061 1 1 3895 5667 5208 5134 4574 4096 4245 3309 3298 5275 5048 4551 4987 6667 6279 6031 7330 5919 6282 3703 3467 1 1 4836 4572 4082 3602 3502 3811 4023 1 5390 1 7120 6794 4272 4763 DL-pipecolic acid 3487 9329 6587 17578 10868 10680 6113 1 4609 12528 19105 19543 4588 12609 5027 1 6132 6696 8189 23554 6774 19045 20645 21877 1 20556 7904 22738 4529 13034 4504 12636 4528 5038 4795 13263 4172 12592 6019 17847 15583 15124 13267 13354 3649 3625 18334 17818 5334 15379 6826 20220 6858 20355 1 19461 10776 10407 1 1 5485 13549 4360 11558 3919 10109 11364 4352 5261 14027 18378 1 11767 11858 168.0871@0.84209305 1 2758 4265 1 2625 2913 1892 1 3115 1 5037 4545 1 1 1 1 4569 1 5915 1 1 5401 1 5349 1 1 5426 5626 1 3359 3522 1 3717 3853 3465 1 1 3379 4885 4525 3924 3822 3369 3734 2964 2774 4364 4663 4292 1 5741 1 4825 1 4976 4965 1 2884 1 1 3451 3568 1 3025 1 2564 1 2847 3734 3753 1 4702 2864 1 157.9564@0.84936565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6559 1 1 6767 1 1 1 1 1 1 1 1 1 1 6802 6639 1 1 1 1 1 1 1 5856 1 1 1 1 1 1 103.9849@0.85423785 8468 7344 7656 1 1 7593 9016 1 1 8683 8294 7973 8543 1 1 1 7817 1 7796 1 7897 7452 7845 1 1 1 1 1 7835 7757 1 8213 1 8380 1 8560 1 8963 7372 19256 1 1 7789 7788 1 1 7388 7480 1 7149 7111 7182 7479 7773 7250 1 1 8291 8055 7537 7797 1 1 7565 1 1 20090 6868 6569 7059 7210 1 7010 1 176.0532@0.8503386 1 5797 5483 1 4243 1 2440 2291 1 6540 4266 5299 4445 1 1 1 3459 1 1 1 1 6595 1 1 1 1 1 1 1 1 1 1 1 5031 3866 4680 1 8576 5022 5950 5097 4911 1 2944 3217 3119 6353 5680 1 1 4698 4319 4902 4879 1 1 5713 5064 1 1 1 1 5513 6056 1 1 1 3839 1 3518 1 1 4006 1 Amitrole 1 19640 1 35401 25575 24787 19168 19298 25826 27006 35554 36599 1 31530 1 32371 31878 1 1 39925 1 36842 39927 1 1 38829 1 41470 1 25283 1 1 1 1 26194 1 1 25975 32219 32937 28269 28567 27765 26331 1 1 34297 33855 28955 30017 33263 33921 32876 35609 1 34744 25621 24953 1 3912 28450 28846 26101 26223 1 24232 26992 23850 30219 31619 36934 36924 28374 28496 958.956@0.8553138 30807 33443 22753 27194 1 30193 36676 35016 1 29164 25615 22765 28872 34046 26894 32578 24514 23832 22181 26169 23701 31772 25813 23106 1 27455 1 26827 24074 31474 1 32446 1 1 1 28245 1 24008 1 19993 25066 28585 1 1 24935 24453 1 1 1 27825 23953 21758 1 27433 1 26382 23735 1 1 53889 1 21436 1 1 22815 1 34991 1 22907 1 22211 24399 28259 23936 215.0068@0.8652332 1 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 2407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4105 3907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2737 1 1 1 1 2872 1 1 1 1 1 1 263.8449@0.86693645 5062 5289 5861 5729 5136 5274 3822 3750 5711 1 6066 5448 5336 1 5909 5744 5713 5901 6048 5868 5731 5918 5960 1 6174 1 5903 5877 5603 5466 6341 6456 1 5797 6333 6272 6705 6758 5547 5649 5832 5716 5814 5748 6034 5626 5629 5701 5660 5494 4968 5212 4863 5029 5720 5798 5797 5704 1 1 5661 1 5682 5671 5663 5255 5559 4705 4395 4373 5149 5230 5191 5279 C5 Cl2 N S2 6983 7156 7895 7779 7641 7252 5598 5737 7743 7957 7957 7907 8304 8361 1 8418 7813 1 7995 1 8566 7893 7951 8302 8289 8211 8183 8608 8029 7925 8526 1 8635 8022 7967 8305 1 9065 7696 7852 1 1 7565 7639 8093 8108 7914 7902 1 7811 7357 7425 7126 1 1 8014 1 8040 1 2502 8132 8487 7709 7562 7477 7472 7494 7334 6538 6106 1 7402 7663 7537 439.7171@0.8670893 1 1 2114 1 1625 1 1 1 1 1 2077 1999 1 1 1 1 1954 2063 1 1 1 1 1 1 2073 1 2222 1 2209 2088 1 1 1942 1966 2359 1 1 1 1 1 2067 2248 1812 1840 2152 2218 1843 1758 1 1 1 1454 1 1 1 1948 2105 1 1 1 2315 1 1722 1832 1 1 1 1580 1 1 1 1 1759 1729 459.7749@0.86490196 1991 1 2400 1 2250 2289 1 1 2144 1 2330 1 2494 1 2322 1 1982 1 2478 1 2617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2626 1 2138 1 1 1 2166 1 2465 1 1 1 1 1 1 1 1 2406 1 1 1 2357 1 1 1 2403 1 1 381.7594@0.8670903 1 1 2361 2479 1 2008 1 1 1 2316 2317 2455 1 1 1 2551 2210 2435 2613 2679 1 2323 2603 1 1 2463 2446 1 2258 2486 1 2799 2491 2593 2606 1 3130 2741 2448 2384 2397 2558 2158 2392 2557 1 2484 2390 1 2173 2201 1695 2351 1 1 2460 2373 2789 1 1 2433 1 2197 2145 2439 1 2078 1896 1597 1677 1 1 1 2055 391.7879@0.8664906 2922 1 3207 2968 2876 3078 2143 2173 1 1 3265 3123 3361 1 3282 1 3207 3208 3030 3338 3372 3214 3333 1 1 3494 1 1 3037 3349 1 3492 1 1 1 3558 1 1 3182 3117 3148 3117 3098 3226 1 3400 3312 3345 1 1 3107 1 2834 3050 3158 1 1 3293 1 1 1 3243 3013 3235 2928 2968 2809 2970 2365 2388 3135 2846 3043 1 253.816@0.86755717 7895 7880 7969 7990 7137 6995 4904 4984 7583 7845 9180 8884 7607 7430 8113 1 8054 7752 8791 8505 8483 8158 8810 8230 8739 1 8802 8949 8502 8513 8750 9511 7920 7919 8872 8982 9583 10157 7643 8011 8632 8817 8005 7788 8881 8857 7893 7623 7922 7861 6758 6830 7385 7159 8265 8030 7269 7604 1 1 8696 8514 7310 7280 8035 7553 6943 6849 5854 6193 7356 7658 7128 7062 147.9277@0.86540467 1 3309 1 1 3935 1 1 2698 1 1 1 1 4098 1 4106 1 3912 3914 4385 3986 4067 1 4041 1 1 1 1 4149 1 1 1 1 1 1 4242 1 4336 1 4440 4215 1 4015 1 1 1 1 1 1 3997 1 3939 1 3936 3880 4043 4062 4301 1 1 1 3861 1 1 1 3245 3397 3521 1 1 1 3415 1 3855 1 79.9413@0.8671508 231645 217506 232065 242901 218673 225647 170814 169361 232920 231020 245484 238176 227702 230226 241156 240408 234314 245793 246297 246503 241361 240561 239784 239074 247436 248186 251168 254759 237466 236828 250410 251620 246802 242194 243938 247501 271667 261741 232813 231996 238061 242969 225469 225418 248781 255614 227871 227271 225850 230546 213333 210580 215408 215655 232351 235237 234533 231489 82995 84324 238490 238373 216966 216230 219251 216135 209719 203999 188973 193391 213399 210112 210345 208004 323.8003@0.86726624 2139 1 2259 2643 2127 2313 1 1 2553 2606 2612 2626 2567 1 2584 1 2506 2606 2799 2699 2532 2834 2655 1 1 1 1 1 2539 2624 2905 2864 2758 2694 2989 1 3091 3173 1 2429 1 2858 2726 2388 1 2750 2449 2680 2487 2398 1 2128 2435 2432 2376 2517 1 2565 1 1 2832 1 2501 1 2329 2476 2272 2072 1 1 1 1 2130 2163 255.8131@0.8674988 10581 10828 10825 10989 8883 8727 6798 6857 9990 10096 11473 11551 9846 9247 10575 10839 9953 10570 11433 11855 10646 10203 10517 11241 11326 11070 1 11378 11165 11491 11727 12398 10658 10367 11454 12355 12463 13769 10637 10787 1 11283 10383 10071 11686 12182 10615 10515 10794 10868 9039 8596 9824 9481 10835 11033 10439 10367 1 1 11064 11818 9150 9554 9953 9981 8695 8654 7387 7771 9771 9522 9284 9152 333.8292@0.8658095 1 1986 1 1 2422 1 1 1 1 1 2628 2691 1 2512 2542 1 2480 1 1 2413 2450 1 2625 2639 1 1 1 1 1 1 1 2612 1 1 2818 2844 1 1 2622 1 1 1 2549 2356 1 1 2468 2697 1 1 1 2499 2411 2373 2359 1 1 2526 1 1 1 1 1 1 2323 1 1 2441 1 2040 1 1 1 1 257.8104@0.86785424 4684 4812 4950 1 1 4240 1 1 4576 4526 4923 1 1 4543 1 1 4582 4691 1 1 1 4902 1 1 5010 1 5377 5317 1 5191 5259 5639 4879 1 5310 1 1 5744 1 1 5135 5153 4507 1 5418 5355 4614 4521 4710 1 3945 3814 4652 4099 1 4841 1 1 1 1 5027 1 1 4275 1 4570 4016 4018 3716 1 1 4513 1 1 81.9381@0.86731297 63505 67868 68642 67044 62704 62270 50171 48871 66711 64923 72829 68113 65289 67071 78302 68571 66083 67715 70914 69566 68786 69316 67807 72475 70976 70622 71628 72971 71224 81575 72788 72252 70797 68602 71970 71746 75964 73467 66153 66935 67014 68117 63789 64614 70032 73219 66139 65982 65748 65012 61502 60109 61273 63175 66992 67505 67176 66239 24408 24373 69162 76270 66411 61078 63940 64577 59402 59016 52625 59328 62280 63191 61327 59721 139.896@0.8682025 10618 8671 10347 1 8026 8157 6858 6326 9764 8345 9956 9533 9105 9187 10609 10503 9107 10018 10831 10464 9755 9481 9818 9706 10079 10792 13468 10442 10578 11593 11190 11448 10440 9234 10657 10195 11325 10851 10148 10380 10537 14148 8679 9392 13883 11522 11099 9500 9332 9278 9349 8275 10009 9960 1 9848 10671 1 2877 3129 13184 10672 11550 8307 1 8649 7921 7711 7195 7818 8375 9612 1 8001 137.899@0.8680663 13590 13722 1 1 12713 15348 10504 10757 16479 13407 1 1 17636 14194 15739 16496 13816 14906 18379 20992 18470 16182 15847 20266 15689 21338 16793 16708 16445 16152 19163 18688 15312 16552 17661 17067 20289 18392 14637 14214 16280 16765 15785 14643 18971 1 11542 14928 18226 14628 13752 13505 14866 14031 15010 18105 14729 14822 4702 4605 17421 18325 15667 12950 17505 18063 11865 12753 10419 11871 12840 1 13365 17702 321.8036@0.86732626 1 1 1 1 1 1 1 1 1 1 1993 2043 1 1 1 1 1922 1984 1 2018 1 2165 2144 2207 1 1 1 2234 2067 2259 2012 2215 2121 2224 2217 1 2578 2237 1963 1905 1960 2023 1991 2074 2110 2193 2100 1 1954 1 1 1 1800 1 1 1 1 2069 1 1 2087 2145 1 1 1 1 1746 1 1 1 1 1 1 1 265.8421@0.86686337 4934 4928 5341 5266 5092 5319 3961 3820 5211 5302 5604 5290 5451 1 5480 5648 5182 5562 5496 5543 5719 5777 5874 5486 5966 5667 1 6185 5706 5549 5996 5679 5532 5578 5857 6075 6163 6051 5230 5349 1 5466 5332 5135 5697 5860 5630 5576 5263 5182 5098 4807 4770 5030 5329 5533 5595 5474 1 1 5702 1 4992 5380 5157 5069 1 5233 4041 3996 5027 4650 5056 4593 105.9434@0.8757267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 2024 1 1 1 2404 1 1 1 1 1 2273 2592 2692 1 1 1980 2541 1 1 1 1 1 1 1 1 1 1 157.9565@0.8809789 1 1 1 1 3871 1 1 1 3679 3295 1 1 1 1 1 1 3243 3438 3640 3368 1 1 1 1 1 1 3492 1 1 1 1 1 1 4016 1 1 3809 3719 1 3293 3767 1 3315 3362 3187 3039 1 3237 3620 1 4036 1 1 1 1 1 4049 1 1 1 3589 1 4069 1 1 1 3712 3380 1 1 1 1 3895 3430 C7 H3 S 2536 2663 3466 3261 1 1 3016 3563 2340 2380 2982 3087 3090 3462 2263 2223 2527 2439 3431 3355 3191 3006 3160 2977 1 3234 3633 3520 1 2264 3257 3345 3941 3423 2517 1 2750 2681 3263 3460 2178 2403 2201 1 1984 2456 3273 3026 3014 2794 2939 2949 2895 2884 2855 2967 2671 2417 1 1 2539 2694 1973 1 2480 2560 2496 1 1 1 2381 1 2472 2451 225.944@0.8759723 1 10095 1 1 14827 1 1 35589 1 1 1 1 1 1 1 1 10294 1 1 28794 1 1 1 1 1 1 10052 1 1 1 1 1 1 11556 9864 1 1 11520 1 12223 9821 8946 9991 12092 9002 9247 28439 12285 10119 11415 11441 11866 1 1 1 11250 1 12884 25985 25821 10461 1 11532 1 1 1 14260 11387 1 23816 1 1 12832 13973 210.1344@0.88222635 1 1 6806 1 8914 1 1 1 7443 1 5508 1 1 1 1 1 6765 5989 1 1 1 1 1 1 1 1 8093 1 1 1 1 1 1 7035 4821 1 1 1 6726 1 1 1 8402 1 4275 1 1 1 1 1 1 10909 11190 12323 1 1 1 1 1 1 5137 1 4240 1 1 1 6174 5754 1 1 1 1 1 1 239.9597@0.8790019 11355 1 1 3081 3503 1 1 1 3223 3197 1 2646 4319 1 1 1 2817 2890 1 2719 1 1 1 1 1 1 2768 1 1 1 1 1 2956 3043 2768 1 3050 3128 2429 2858 3229 2566 3023 2656 1 2673 3028 2837 2800 1 3049 1 1 1 1 2577 3143 3143 7989 8599 3185 1 3134 1 1 1 3246 6888 1 1 1 1 3689 3611 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2769 2384 2506 1 1 1957 1 1 2459 Acetoacetic acid 3209 7400 6188 18000 20544 20517 4622 6605 7273 20702 6227 20055 3623 7518 3770 1 5220 5575 4962 13723 4721 12344 19149 15189 1 1 5586 15141 5620 14821 7201 22975 6960 7185 5265 19071 5930 17950 5344 13329 16633 22191 4627 13301 4858 4891 14080 17024 5841 18872 6334 6504 6470 15356 4855 17211 14540 13837 1 1 5573 16442 6662 25177 6907 16848 12017 5688 3540 8708 4661 4256 13780 14201 231.1082@0.97 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0133@0.969074 4469 1 10627 1 1 1 1 1 14201 1 9286 1 1 1 1 1 7854 7920 9754 1 1 1 1 1 1 1 9307 1 9087 1 11221 1 10396 9898 11306 1 11138 1 7332 1 1 1 8731 1 8603 8533 1 1 9901 1 10227 10229 8967 1 9451 1 1 1 1 1 10047 1 12431 1 10509 1 1 6208 1 1 1 1 1 1 183.0871@0.9696277 25747 1 78179 1 1 1 16897 1 93336 1 68713 1 25739 1 42046 1 50705 58510 74952 1 53319 1 78539 1 55169 1 73880 1 76075 1 89460 1 82162 78949 84817 100920 88665 1 61637 1 1 1 71285 1 66666 66926 1 1 79019 1 1 84557 1 1 72596 1 1 75182 1 1 74686 1 91730 1 72553 1 1 46783 34532 1 52673 53286 1 1 184.0899@0.96984404 1 1 1 1 1 1 1 1 6052 1 4447 1 1 1 1 1 3789 3521 4641 1 1 1 1 1 1 1 4843 1 1 1 5759 1 5216 4916 5452 1 5859 1 4227 1 1 1 4645 1 4239 4161 1 1 5247 1 5315 1 4608 1 1 1 1 1 1 1 4744 1 6138 1 5024 1 1 3276 1 1 3420 1 1 1 Isowillardiine 1 1 1 4622 7637 7773 1 1 7026 6905 3367 3619 1 1 1 1 3136 1 4501 4114 1 1 1 5095 1 1 3997 4198 1 6067 1 5167 1 4718 4941 1 4836 5123 1 3120 5028 5436 6655 6162 3953 3760 3761 3665 6201 6369 5964 5858 5776 6059 1 4291 4273 4121 1 1 4430 4903 5843 5437 1 1 2711 2827 1 1 1 1 1 2922 129.0786@0.97660166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 1 1 1 1 2151 2412 1 1 1 1 1 1 3189 4276 2833 1 1 1 1 1 1 1 1 1 1 2214 1 1 1 1 1 1 3508 2953 1732 1956 76.0719@0.9854257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2441 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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669883 169.0248@0.9914205 4414 4897 4333 5066 1 1 4400 4075 5079 1 4242 4501 3983 1 3595 3986 5858 1 4933 4810 4484 4088 7348 7724 7113 6759 5199 5220 7486 7893 4365 4524 1 3916 2919 1 3972 4749 5510 5535 7196 6446 1 1 4634 4555 1 4846 4545 4666 1 1 7018 6547 5424 5679 4670 4609 1 1 3705 3763 5568 1 6711 1 8236 6995 3935 4454 5008 4960 5968 6054 153.0512@0.9911565 41300 1 74806 1 1 1 1 1 61186 1 67339 1 1 1 43923 1 81171 79813 74345 1 70845 1 1 1 118358 1 73141 85964 86466 1 63551 1 60498 53817 44109 1 67423 1 86998 1 1 101210 82041 1 62227 58426 1 1 54035 1 95388 96456 56349 1 69183 1 1 1 7678 1 59713 1 79488 1 85617 99190 1 147171 45989 1 74391 72856 120355 1 C15 H22 N S 4193 6847 5595 11134 4499 4853 6339 6175 3945 7800 4719 8121 4768 4702 1 1 4930 5134 4373 7406 1 1 11616 11935 5026 10105 6497 11548 4492 8262 1 3487 1 4834 1777 1 6670 12473 10393 17239 14173 14576 5088 10290 2000 1 19454 18482 1 4905 5632 5561 6036 9760 1 5449 11905 11359 1 1 1 4283 2714 6023 3835 6734 15496 9268 1 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15305 85337 1 50011 1 59249 1 1 51004 68098 1 77046 73542 1 1 70.0613@1.0081239 3120 1 4366 1 1 1 1 1 2629 1 3791 1 1 1 1 1 4186 4131 7439 1 5356 1 1 1 1 1 3227 1 1 1 2692 1 3840 3830 2811 1 3701 1 6249 1 1 1 1903 1 1 1 1 1 2964 1 3600 3697 3677 1 1 1 1 1 1 1 2932 1 1694 1 2314 1 1 1887 2342 1 3090 1 1 1 116.0662@1.0081497 1 1 6397 1 1 1 1 1 4000 1 5573 1 1 1 1 1 6405 6735 11746 1 1 1 1 1 1 1 5988 1 1 1 4587 1 1 6712 4995 1 1 1 10320 1 1 1 2831 1 3796 4295 1 1 4639 1 5710 5855 5431 1 5522 1 1 1 1 1 4141 1 2776 1 2878 1 1 2654 1 1 1 1 1 1 135.0407@1.0071685 68881 1 99697 1 1 1 48499 47557 76805 1 105947 1 1 1 74595 1 115627 120855 124162 1 117399 1 73995 93265 81557 116114 106361 1 92970 1 93669 1 113294 113627 97345 1 100424 1 116398 1 76081 76381 91970 1 105874 107249 1 1 85829 1 113702 110639 81957 1 122842 1 1 1 7069 7203 114522 1 109524 1 80501 1 131919 128648 72763 1 107644 105844 113825 111938 114.0611@1.0101486 1 1 1 1 1 1 1 1 1 1 6446 1 1 1 1 1 5788 1 7040 1 1 1 1 1 1 1 1 1 1 1 4308 1 1 10896 1 1 1 1 12270 1 1 1 3946 1 4278 1 1 1 1 1 1 9584 1 1 1 1 1 1 1 1 4857 1 1 1 1 1 1 1 1 1 1 1 1 1 Creatinine 70026 229088 122978 380834 321126 329852 42265 43804 74497 241593 139255 394159 152851 216351 65858 152916 138843 139689 162374 305711 152715 272771 47830 47512 49595 51850 130790 381376 115842 312009 89706 295879 168441 159960 97738 323084 115560 359539 175135 603774 51728 52028 98802 255569 97483 105863 411314 408295 99910 293295 133893 132853 110392 320923 145553 408732 328733 330313 11596 11787 114279 337999 94247 274250 58233 204354 239018 165648 57924 219656 83599 83302 173712 171337 136.044@1.0099989 1 1 4404 1 1 1 1 1 3170 1 4226 1 1 1 1 1 4342 4403 4940 1 4509 1 1 1 1 1 1 1 1 1 3623 1 4201 1 1 1 1 1 1 1 1 1 1 1 4605 4529 1 1 2958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0141@1.0114502 1 1 1 1 2968 1 1 1 1 1726 1848 1 1 1 1 1 2172 2255 1 1 1 1 1 1 1 1 1 1 2733 2813 1 1 1 2252 1 1 2002 1778 2003 1838 1 1 2189 2284 1836 1847 1 1 1 1 2653 2177 2313 1 1 2383 1985 1831 1 1 1 2284 2099 2215 1 1 1 2161 1 1 1 1 1 1 Thr Ser Ser 3903 3770 5189 5178 5294 5913 1 1 4655 5016 8319 9727 4423 4814 6370 6400 9628 10115 9875 13655 8403 9049 1 1 3774 1 9274 10569 8478 9213 9282 10711 8440 8958 12727 16466 10130 11815 7863 8251 7489 7095 5380 5501 12686 13882 6593 5513 6796 8410 6493 6494 6600 7867 12843 14695 7124 6889 1 1 12708 13436 10187 11061 4790 4619 5135 4609 7424 7989 1 8966 6209 6020 209.0715@1.0235425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1,5-Anhydrosorbitol 21073 20983 10595 10052 15882 17000 7699 8101 14071 15352 8078 8214 26128 25615 17110 17346 9210 9586 11793 11740 10134 10790 21121 21885 16075 16212 12764 12495 12255 12334 14472 16525 13399 13140 14758 16070 13123 13611 8066 7973 13290 11407 22334 24722 25603 25763 21018 20919 16019 16233 15441 14997 13671 14421 9374 9274 12168 13555 1 1 13637 14187 12477 12784 15764 17407 8608 9028 9287 8917 17697 16618 9739 9456 131.9793@1.0307194 1 1 7127 7033 5924 5386 1 1 5488 5798 4701 5102 1 1 1 1 6304 6548 7996 8029 6706 6727 4383 4624 1 1 4034 4206 4385 4125 4700 4435 4553 3947 2928 1 1 1 5974 6110 1 1 4846 4988 3129 2983 6162 6480 11506 11177 11099 10677 6653 6854 3952 3551 3062 3127 1 1 3004 3038 1 1 7013 6892 4650 4491 1 1 1 1 4128 4409 C4 H8 N5 O 1 1 1 26808 14549 14593 1905 2281 6500 7348 9377 10654 1 1 1 1 6607 7181 24861 28500 16238 18699 1 1 2160 1 13443 15597 1 1 6517 8213 21354 21865 15162 17757 15218 17842 12617 12870 2886 1 2048 1 13915 14516 3430 3240 7221 8113 7166 6866 32435 37355 8511 9801 7542 7687 1 1 9438 11582 3303 3432 4061 3980 1908 1 1 1 1 1 1 1 382.1079@1.037903 6492 6160 9753 1 6949 6161 1 4068 1 1 1 1 1 1 1 1 17497 15544 1 22751 10859 15017 1 17526 1 17555 1 17761 1 1 1 34576 1 1 1 46478 17549 20655 13501 13875 38224 26870 7751 7764 27927 1 1 8784 1 1 11978 1 1 14525 17061 1 7121 9347 1 1 17052 22069 20978 28202 1 18644 1 1 1 1 1 22405 1 22148 N-n-Hexanoylglycine methyl ester 6379 6478 1 1 4079 3894 1 1 3306 2963 1727 1713 11983 11833 5630 5375 2015 2261 1876 1 2094 2092 3061 3076 4456 4529 1884 1929 3717 3449 1 1 1 1 2310 1 1 1 1 1 2607 2637 6300 6730 2347 2483 2079 2141 1 1 3651 3458 2116 2217 2530 2646 3892 3774 1 1 1 1 3643 4159 1 1 4398 4210 3069 2918 4005 3842 3238 3515 251.0698@1.0392478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2586 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 3629 2133 1 1 1 5736 1 1 1 6703 1 1 1 1 1 1 1 1 3516 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1 1849 1 1 1 1 1 1 146.1091@0.992697 1 1 6005 4422 8281 7657 1 1 5177 6870 5332 5336 8570 8157 3704 8392 6843 6859 1 1 5732 1 6971 7568 3809 1 3488 1 4982 6289 4239 1 4725 5031 3372 1 5733 4716 10560 6517 1 1 5613 1 5134 5219 1 1 3396 1 1 4932 5211 8333 6189 1 1 1 1 1 1 1 4233 5733 2963 6419 1 3657 5584 4466 1 5708 1 1 Heptanoic acid, 2-amino-, (R)-; (R)-2-Aminoheptanoic acid 58425 59045 81970 85799 59402 66738 25860 29436 67911 73825 68272 76723 46088 42345 35990 44458 82319 87673 78805 76482 73952 88113 63531 60918 44848 48083 43024 48041 58056 68679 48374 53535 57946 57943 37824 40833 70245 76417 135558 146085 66196 65078 69705 74495 30252 28607 108387 119948 40356 44903 60358 54286 58096 67661 79868 90018 137737 128614 4856 5030 63320 63959 54383 59953 37384 43858 46014 39475 21266 22214 29564 30547 54381 53741 229.088@1.0416846 1 1 3320 5267 8108 8940 1 1 6627 11094 3086 5483 1 1 1 1 2947 2812 4299 8318 2260 1 1 1 1 1 2948 1 4526 7349 4876 5414 6507 6247 2770 1 4060 6647 6459 12042 1 1 11443 19655 2652 2314 5572 5225 6530 11463 4799 5025 3511 5597 4117 7264 1 3387 1 1 1 1 4462 7564 1 3668 5907 3990 1 1 1 1 5582 6079 82.0144@1.060079 20079 1 1 23885 25863 25738 1 1 38852 38687 23151 1 29914 29498 45435 1 23102 22535 21267 1 37346 23679 17664 1 1 1 37338 1 32975 1 40934 41449 39194 39796 1 1 39501 1 15575 13467 18551 1 1 1 1 1 23246 1 1 1 20545 18125 25516 1 41156 37788 13747 1 1 1 35508 34982 34284 1 19133 18797 1 1 31721 1 31479 29627 1 1 L-Pipecolic acid 4783 1 7590 6448 10220 10104 1 1 6470 5525 9331 8294 4863 1 1 1 7941 9152 9950 8745 4303 4279 1 1 1 1 5207 4326 8413 8726 4552 4555 4694 5287 8709 9552 1 1 4945 4938 1 1 10548 11086 5308 5368 5209 4863 5285 5272 13301 15927 9435 1 7164 7434 6169 6126 1 1 5938 6012 10383 10729 1 1 5521 5250 3701 4299 9166 9922 7818 6705 165.076@1.0592684 1 1 6803 1 1 1 1 1 5897 6148 3090 1 1 1 1 1 4682 4862 7770 1 1 5971 1 1 1 1 3151 1 1 1 1 1 1 3460 3112 1 1 4797 6366 1 1 1 2147 1 1 2745 1 1 1 1 1 4019 5954 1 8323 1 1 1 1 1 7458 1 3280 1 1 1 1 2648 1 1 1 1 1 1 1-Aminocyclohexanecarboxylic acid 1 1 92705 97409 84278 83127 23529 23556 63065 66986 42819 46521 1 1 1 1 66976 1 89623 108399 77084 1 33984 1 18085 21061 1 26887 1 21704 1 17236 45579 1 1 26612 40642 1 1 109583 63720 63937 19821 22248 21595 1 60197 58522 1 15887 47734 46338 67991 79013 71554 84455 63487 65310 1 2501 63332 71062 1 30522 1 39926 34918 27553 1 1 1 1 15891 16148 ADMA 34612 34244 31952 33247 39837 40589 22422 22793 34089 34144 36892 41076 28478 26087 25327 25498 46956 48890 57038 57117 45113 44939 63624 67211 46378 49255 35205 36152 32733 35111 25597 30105 25875 24428 21264 22942 23500 26697 49058 48271 62559 62920 38138 40373 24795 27950 44538 46814 22847 22194 66144 64838 49563 52720 42523 47337 53166 52723 2540 2541 36967 38740 30118 34410 32055 34724 33882 30666 16202 16973 27747 27413 38474 38491 203.1449@1.0750006 1 1 1 1 1 1 1 1 1 1 3279 1 1 1 1 1 4126 4131 1 1 1 1 1 1 1 1 1 1 2810 1 1 1 2140 2272 1 1 1 1 1 1 1 1 3261 1 2049 1 1 1 1 1 1 1 1 1 3552 1 1 1 1 1 1 1 2431 1 2875 1 1 2487 1 1 1 1 1 1 196.0823@1.0847179 1 1 1 1 1 1 1 1 1 1 2253 1 1 1 1 1 2144 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1652 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 2276 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0694@1.0984086 50227 1 1 1 38254 62280 122304 1 1 70996 130304 102494 1 1 1 1 91684 91122 97998 106489 90366 1 1 64487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141013 142111 89061 86760 59593 92581 1 1 85164 1 1 1 154912 1 82225 87812 49429 55318 67474 58296 1 1 1 49269 1 1 1 1 202711 1 1 1 57202 1 1 1 Niacin (Nicotinic acid) 2383 1 2540 1 4277 4549 3208 4119 1964 1 1 2309 1 1 1 1 3203 1 1 1 1 1 1 1 1 1 3535 1 1 2172 1838 1 2616 2640 2450 1 3177 3342 3562 3589 6104 6606 3157 3158 2518 2469 6904 7125 1 1 8944 8271 5088 5427 3298 1 3123 3162 1 1 2619 2822 5179 4821 1 1 1 1 2572 2189 4626 1 1 1 94.0529@1.0972483 1680 1 1 1 2795 1 2086 2140 1 1 1 1 1 1 1 1 2040 2022 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 3230 1 1 1564 1 1 3917 3358 1 1 4736 4625 2787 1 1 1 1758 1833 1 1 1 1 3169 3094 1 1 1 1 1 1 1 1 1 1 C6 H13 N O 3749 4019 5198 4852 17711 17694 1 1 6392 6093 8615 9097 3073 3282 2876 1 9656 9637 8409 9156 3313 2549 1 1 1 1 4612 1 6374 6930 1 2604 1 4514 5226 5307 1 1 1 1 1 1 10255 10231 3782 3454 3250 1 3417 1 15172 16011 11399 9851 8381 8092 2683 2484 1 1 4570 4978 8308 8658 1 1 1 2975 2819 2481 6461 1 5071 4890 (S)-ATPA 2245 1 4113 3994 5589 5711 3920 3809 3262 2984 3605 3394 1 1 1 1 3769 3998 5318 5953 3989 3675 3962 4113 3655 1 3131 3448 1 1 1615 1 1 1 1 1 1 1 4556 4152 4715 4811 2382 2168 1 1 7688 7118 1 1 8372 8344 6773 6378 1 1 6198 7409 1 1 1 1 1 1 2973 3338 1 1 1 1 1 1 1 1 2-(6''-Methylthio)hexylmalic acid 3679 3550 13873 15816 17883 18778 4270 4177 10309 11537 14261 13852 3048 1 6869 7618 10449 9989 13993 17557 11413 12624 6785 7476 9413 9757 8438 8408 7968 7920 5586 1 6181 5917 2728 1 3319 3471 10868 10733 1 7438 9995 12047 5028 1 1 5467 1 1 9877 10479 1 11017 5624 4717 1 8385 1 1 7556 8149 1 4855 6194 5763 1 3228 1 1 1 1 2532 2299 176.0318@1.1701272 1 1 1 1 1 1 1 1 1 1 2665 2723 1 3169 1 1 8202 8416 1 1 1 1 1 1 1 1 2809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H13 N O + 1.1929309 1 1 3781 3667 12865 11982 1 1 3768 1 6531 6436 1 1 1 1 6922 6674 6590 6621 2115 1 1 1 1 1 2540 2981 5360 5494 1 1 2291 2455 3447 3578 1 1 2182 1 1 1 6927 7311 2017 1929 2043 2398 1881 1 11812 11455 8797 9059 5745 5268 1719 1 1 1 2793 2775 6176 5770 1 1 2089 2362 1 1 1 1 4381 4719 202.0444@1.228891 1 1 1 1 1 3023 1 1 1 1 1 1 1 1 1 4609 3518 1 6206 6619 4958 1 1 1 1 1 1 1 1 1 1 1 3948 1 1 1 1 5527 3956 1 1 1 3285 1 1 1 1 1 1 1 1 3773 1 1 10156 7723 1 1 1 1 1 4909 1 1 1 1 1 1 1 1 1 1 1 1 139.0606@1.2354457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5728 6396 1 1 1 1 1 1 1 1 9283 1 1 1 1 1 1 6043 6183 1 1 1 9782 1 1 1 1 1 6806 6748 1 1 1 1 10274 9777 1 1 1 12139 1 1 1 1 1 1 6448 1 1 1 1 6196 1 1 1 1 1 1 72.0771@1.2361106 14932 1 14931 1 1 1 1 1 15620 1 19592 1 1 1 1 1 15269 14688 21281 1 17243 1 1 1 18518 1 14949 1 1 1 13536 1 13625 12936 9299 1 12577 1 19356 1 1 1 1 1 11026 1 1 1 16350 1 23741 22285 13279 1 1 1 1 1 1 1 12426 1 12068 1 10924 1 1 12944 12900 1 15338 1 1 1 71.0743@1.2395236 405845 1 411697 1 1 1 1 1 439889 1 1 1 1 1 1 1 417684 431400 1 1 475235 1 1 1 533045 1 422270 1 432737 16459 376582 1 1 373524 264122 1 349243 1 534294 1 1 1 327964 1 324842 335885 1 1 459564 1 645546 637367 364412 1 571827 1 1 1 37744 38732 327302 1 328851 1 1 1 1 357738 356660 1 1 1 403085 1 C3 H6 N 6119 5907 6399 6318 5380 1 4056 1 6745 6748 8787 8753 1 1 1 1 6997 6826 10085 10478 7747 1 1 1 8378 1 7272 6802 6971 7148 6531 1 6120 6152 4523 1 6023 5622 9310 8832 6405 6406 5807 6105 5429 5610 9822 10046 7924 8276 11146 10712 6331 6472 1 9522 5989 5894 1 1 5440 5601 5756 1 1 5363 6430 6385 6012 5683 1 1 6359 6855 L-Valine + 1.2355758 126712 127230 133916 132261 118598 120695 74363 74987 144408 154119 187319 204081 110920 112483 137636 154921 147158 150475 225514 251627 172124 194226 148118 160004 197695 223204 153906 171556 155755 172967 144576 160561 143788 140793 101266 116387 138507 152383 216728 213152 153120 151036 128273 140579 122429 121583 225615 231208 171629 186214 263214 244032 137568 151114 203113 230912 124181 119750 1 10842 113935 120635 118284 115090 101807 115085 131457 114773 107310 113183 128626 1 122939 120600 54.0477@1.2353735 18896 437000 19668 439965 328786 364079 248486 249875 19862 473857 589957 596811 329659 325507 431487 451581 19051 19303 656261 675668 21060 535145 430357 417847 23060 576657 18298 448458 18135 447570 16501 411410 389851 16077 12156 293611 15681 382252 23531 590516 392975 401690 14112 353081 14145 14602 620782 605611 19976 498786 29143 28049 16869 386057 1 601356 352238 357891 2089 1 15285 359148 16106 361042 334028 349802 403951 17033 17536 383795 20403 1 1 415160 118.0818@1.2358083 5976 1 6509 1 1 1 1 1 6591 1 8414 1 1 1 6970 1 7192 7235 10883 1 8417 1 1 1 9447 1 7409 1 7891 1 7153 1 6650 6795 5201 1 6674 1 10349 1 1 1 6341 1 5948 6091 1 1 8167 1 1 10872 6707 1 1 1 1 1 1 1 5425 1 1 1 1 1 1 5595 5483 1 6579 1 1 1 75.0324@1.2603806 1 1 1 1 5459 1 3663 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 1 1 12019 1 1 1 1 3380 2633 1 1 1 1 2157 3685 1 24143 24612 9188 8911 3908 3758 4466 1 1 3330 1 1 1 1 5817 5574 1 1 2721 1 11774 1 1 1 14712 14837 1 1 1 1 8939 9270 188.079@1.2611427 1 1 1 1 4447 1 1 1 1 1 1 1 1 1 1 1 1959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4256 1 1 1805 6240 1 1 1 1 1 1 1 5463 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 1413 1 1 1 1 3736 1 210.061@1.2632786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 1 1 1 1 1 1 2678 1 1 1 1 1 1 1 1 1 1 1 2666 1 1 1 4649 1 1665 1 1 1625 1 1 1 11640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2705 1 1 1 1 1 1 132.053@1.2649089 1 9778 1 1 23982 1 1 1 1 1 1 1 1 1 1 1 14591 14337 1 17948 1 1 1 1 1 1 1 1 1 21451 1 1 1 1 1 1 1 1 4744 29832 12271 10428 1 15111 4007 1665 9203 9735 1 1 1 6037 1 1 1 1 1 5444 1 1 1 1 1 9640 1 1 10915 1665 1 1 1 1 8965 9384 89.0476@1.2660881 2484 1 1 1 4508 4409 1 1 1 1 1 1 1 1 1 1 6024 5691 3087 3394 1 1 1 1 1 1 2898 1 3523 3920 1 1 1 1 1 1 1 1 3834 3275 2881 1 2312 2628 1 1 1 1 1 1 3066 3584 2084 2308 1 1 1 1 1 1 1 1 1891 1847 1 1 2427 2815 1 1 1 1 1 2207 72.0323@1.2680589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2295 2429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0349@1.2662939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 1 1 1 12626 1 1 1 10765 1 4830 1 1 1 1 1 7199 7081 1 1 1 1 1 1 1 1 2935 1 1 1 1 1 1 5304 1 1 1 1 1 1 117.1153@1.2703575 171754 1 207717 197609 186963 188425 133627 143258 293573 279462 239136 245363 234893 230792 298763 259006 384706 375116 285751 296135 242391 258903 189573 193336 204353 220764 248576 240046 239882 271939 1 212827 318883 335410 245778 266755 231863 209294 246985 258001 208888 295379 236127 215717 247047 247013 200590 206532 334880 277894 288212 274001 260971 273192 218955 239400 195979 197075 179419 168804 185170 219106 216988 199547 238579 241000 249223 237172 248650 195599 280087 271071 240896 239472 162.0522@1.2673365 1 1 3367 1 4028 1 1 1 1 1 1 4384 1 1 1 1 3474 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4779 4725 1 1 1 3926 1 1 1 1 1 3884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1157@1.2766771 1 1 1 1 2727 1 1667 1 1 1 3038 1 1 1 1 1 3276 1 3894 4350 1 1 3605 1 1 1 1 3707 1 1 1 1 1 2469 1592 1 1 1 3203 3097 2973 1 2856 2582 1 1 2939 2824 1 1 1 7397 1 1 1 1 1 2300 1 1 1 1 1 1 1 2453 1 2323 1 1 1 1 2647 1974 160.1288@1.3020326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27626 1 1 1 1 17209 1 1 1 1 1 17537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18945 1 33681 1 1 1 1 10910 1 1 1 1 1 1 159.1261@1.3045173 188690 1 336760 347940 556972 562231 184055 179378 1 1 1 287682 41557 1 1 1 252341 283101 390286 385129 1 257324 1 1 1 1 362342 370163 1 283513 17170 1 1 1 254230 20078 1 300424 1 264995 1 200584 664515 675999 1 274233 368686 376135 222090 1 1 272443 1 1 1 250532 148434 151387 17381 17319 1 290314 1 531666 1 190476 162145 149780 1 62264 1 1 231484 225864 N4-Acetylaminobutanal 8440 8316 15167 15927 18945 18940 8784 8730 16039 15002 18591 17339 13865 14710 13864 13274 17557 18443 24585 22857 22951 24104 27226 27424 17384 17939 16768 20353 12868 13957 14720 15153 15847 16018 18402 18034 10287 9061 13242 13352 12459 11829 14410 15243 21133 22915 9820 10043 20661 21204 26458 27822 18613 20172 21040 25138 14118 14290 1 1 20400 21636 17515 17446 11616 11286 16382 15922 7569 7180 13184 13139 12960 11669 Piperideine + 1.3051474 3294 3141 5668 6090 6913 7361 1 3437 5474 5832 7335 6658 5042 4948 4676 4945 6432 6341 9301 8721 9321 8743 1 8384 6532 6233 6322 6706 4598 4930 5051 5254 5819 6129 5623 5693 3895 3574 5141 5162 4138 4068 5443 4820 7104 7249 3936 3905 7422 6987 9283 9102 6935 6340 8577 8389 4979 5822 1 1 8469 8735 6875 6811 4459 4336 6378 6449 2781 3388 4846 4843 5182 5157 243.085@1.3061459 1 1 1 1 1 1 1 1 1 1 1 4069 1 1 1 1 5870 1 1 1 1 1 1 1 1 1 2601 1 1 1 1 1 1 1 1 1 1 1 7633 1 10389 1 1 24839 2360 1 1 10173 1 1 1 5413 1 1 4822 9903 9613 23537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.043@1.3154609 30000 30914 12544 1 1 19984 13014 11942 1 13742 16805 17668 25903 26136 22212 22420 20902 1 15864 1 17012 16224 1 1 17579 16991 16140 17697 1 22269 16504 16286 14584 15062 13920 14074 17753 18695 21986 1 21922 22273 20294 19628 16749 16639 19838 19348 13895 13334 20042 18324 14219 14854 20873 21352 1 1 3798 3606 18498 18872 18635 18058 14501 14809 19926 19997 13713 13820 19613 20890 19471 19108 Uric acid 20901 20744 1 1 35782 34460 1 1 25971 26794 1 9992 14368 13908 1 1 17511 17384 1 11802 1 12372 22177 22855 1 1 1 1 1 17710 1 1 1 1 4606 1 1 1 29823 30206 14736 15572 29237 29432 8867 9410 20346 20408 1 1 14107 14067 1 1 1 1 20275 20585 1 1 10622 10434 20121 21043 1 1 13590 12564 1 1 1 1 14317 13830 138.0427@1.3181629 7490 7765 9918 10042 5026 1 5276 1 6993 7470 9137 8540 7808 7836 13359 13328 7799 7954 8383 9089 10150 8900 6704 7055 1 1 13254 14057 7888 8272 1 1 13453 13648 7878 1 13561 13696 3579 3683 3502 1 4638 1 8651 1 4084 3870 12533 1 7166 7393 1 1 11963 12245 6873 6927 1 7103 18028 17492 5565 5311 1 3977 10548 10088 1 1 8342 1 7721 8042 Tranexamic acid 1 1 1 11529 10973 11865 6264 1 11216 12119 8678 8574 1 1 1 1 11744 12953 12370 12675 12666 12371 1 1 4202 1 4254 4471 1 1 1 1 8403 8351 4079 1 9996 10573 13956 14195 7356 6741 3172 2870 2794 2971 10885 11165 2890 1 9962 9519 9313 10398 12801 14015 8707 8821 1 1 12547 12945 5787 6303 1 8062 4804 4546 1 1 1 1 2368 1 279.1312@1.3206835 1 12264 15313 14897 11097 10939 24267 25513 2487 2467 19813 20975 1 1 1 1 7642 6978 1 19109 1 1 16771 17179 1 14296 1 1 1 11451 1 24655 1 22479 9120 1 1 1 11004 12595 9761 9269 1 1 8684 1 6777 7321 1 1 1 1 1 1 1 1 1 1788 1 1 1 1 6063 6445 1 1 1 1 1 14601 1 1 1 1 4-heptynoic acid 3125 3153 2624 1 3424 3478 2297 2184 3075 3090 2402 2511 2893 2507 2632 2626 2699 2451 2700 1 2221 1 3056 2739 1 4163 1967 1 2573 2733 2103 1942 2607 2515 2275 1 1 1 1 1 3093 2841 3870 3525 1796 2038 3623 3289 1918 1 2992 3109 3084 3100 2606 1 4498 4552 1 1 2197 2787 3380 3746 2826 2949 3537 3464 1 1 1 1 2925 2926 150.0535@1.3267888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2136 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4384 1 1 1 1 1 1 1 1 1 1 3810 1 1 1 1 1 1 3133 1 1 1 1 1 1 1 1 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0041@1.3266869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13135 12922 10266 1 1 1 1 11322 4750 1 1 1 1 1 5841 5838 15428 1 1 8693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6811 6952 1 1 1 1 8450 8514 4-Oxoproline 1 1 1 11174 9084 8930 1 1 6893 1 7658 1 1 1 1 1 9211 9230 9382 9118 1 1 1 1 1 1 7326 1 1 1 1 1 1 10539 6413 1 1 1 7290 7213 6272 1 6283 8482 8103 7861 6480 6512 1 11175 12757 11748 10586 11309 1 11097 8354 8964 1 1 1 1 7431 1 1 1 1 8787 1 1 1 1 8513 9514 C4 H9 N S 1 13939 1 43348 16486 16965 13903 15045 1 22873 1 30077 24157 24314 1 1 29380 29295 1 66186 1 50835 24591 24240 1 22762 1 48516 1 21304 1 37213 1 48823 36546 1 1 41934 40096 44490 18683 17916 12395 12465 44415 1 22377 22073 1 60548 28968 30026 1 38553 33665 34680 15661 17200 1 1 1 27912 14402 15505 1 25751 23101 20779 1 17805 1 1 27451 27278 149.0508@1.3639476 1 1 11792 1 1 1 1 1 1 1 1 1 1 1 1 1 38837 38385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67520 50504 1 1 1 53368 1 1 1 16347 1 63766 1 1 1 1 1 47522 44170 11354 1 1 1 1 1 1 1 32637 1 17884 1 1 5255 1 26957 1 1 1 4354 1 1 204.119@1.3262773 141651 1 1 1 1 1 1 1 120202 1 1 1 1 1 1 1 90231 90278 83266 1 1 1 1 1 1 1 1 1 137808 1 1 1 110460 100922 75269 1 1 1 96553 1 1 1 186561 1 78969 78030 1 1 89228 1 109860 107419 1 1 84954 1 1 1 1 1 83320 1 151270 1 1 1 1 1 1 1 1 1 1 1 2-Methyleneglutarate 1 16855 11596 12445 16473 16398 12438 12380 13825 14993 10261 11553 10390 10753 1 11297 10405 11037 10120 9214 9252 9539 16544 16412 1 21693 10313 1 14770 16546 10424 1 1 10253 8693 1 8095 8864 10204 10322 16302 15342 18767 22610 8364 8666 17462 17256 1 11046 10980 11828 12261 12742 1 1 20887 18958 1 1 9500 1 18647 18545 1 1 20375 17475 1 1 1 1 15167 15081 2(5H)-Furanone 24994 28120 18334 26690 30275 28745 22033 21796 21763 29322 17028 21903 21975 20819 1 21641 16622 17169 16198 26760 1 23815 31264 29795 1 39958 16694 25981 23097 28800 17430 23571 1 17736 14002 22956 13725 22507 16884 24595 27408 27618 31848 37529 15195 14490 32502 31651 17290 28650 20064 20723 20923 29565 1 22311 36948 35871 7066 7361 17162 1 29686 34958 1 31209 36629 30009 1 12544 1 1 29638 28166 L-Glutamic acid n-butyl ester 1501636 1643667 1 1179915 1665165 1633387 1268440 1264191 1394331 1545177 1055560 1144826 1106917 1120420 1 1150401 1079742 1078625 982949 1085869 1 1037928 1867172 1842775 1 2528308 1070859 1195914 1559918 1759913 1 1 1192142 1181911 914360 1 949735 1032304 1153492 1234887 1747090 1724730 2104565 2336560 967326 950841 2032088 1998554 1081186 1193168 1276720 1270301 1301631 1422031 1 1029871 2199584 2209219 394655 381703 1004898 1094929 1726036 1892554 1 1474022 1837226 1803239 1 481292 1 1 1379191 1356691 136.038@1.3270185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6683 1 1 1 1 1 1 1 1 1 1 9858 1 1 1 1 29889 1 11293 1 43390 1 1 1 1 1 1 1 1 1 1 1 1 6960 6614 1 1 1 1 1 1 C3 H5 N 4784 1 11805 11455 1 1 1 1 6444 6813 8231 8191 7671 7033 7979 1 9092 8421 16488 16717 1 12534 1 1 1 6584 11924 1 6551 5675 10519 10178 13526 13074 10473 1 1 10312 10883 10537 1 1 1 1 12432 12179 1 1 15812 14819 9873 10689 10113 1 10317 10806 1 1 1 1 8559 1 1 1 7537 7139 6123 7020 6630 6005 8611 1 7613 8267 132.0243@1.3364139 1 25376 5963 76591 29243 29458 27731 29035 1 43680 1 53802 43962 43121 1 39812 17471 17596 35374 122698 5325 92522 44784 43835 1 44745 25405 94666 1 41132 1 75789 6804 27958 21340 10995 1 78878 23675 85542 35807 37598 6995 24697 26175 24672 41198 42758 1 122499 18123 17513 1 85755 62721 67815 33807 33243 1 1 15559 52754 8121 28988 1 48366 44443 12492 1 34912 1 1 47416 46938 101.0476@1.3262455 7557 1 12353 1 1 1 1 1 4807 1 6339 1 1 1 1 1 39802 6003 11786 1 9471 1 1 1 1 1 9308 1 4172 1 1 1 9426 9417 7863 1 11838 1 7771 1 1 1 1 1 8778 9037 1 1 10091 1 9161 10047 7709 1 6642 1 1 1 1 1 5776 1 3916 1 5328 1 1 1 1 1 5059 1 1 1 205.1206@1.3269323 1 1 1 1 1 1 1 1 12308 1 9236 1 1 1 1 1 9043 9291 8512 1 1 1 1 1 1 1 9030 1 13773 1 1 1 1 9779 7877 1 1 1 9850 1 1 1 17519 1 7926 8300 1 1 9461 1 10954 10504 10978 1 1 1 1 1 1 1 8516 1 14813 1 1 1 1 14605 1 1 1 1 1 1 233.9822@1.3293024 1 1 3188 1 2117 2584 1 1918 2502 2703 1 1938 1 1 1 1 1999 2275 2029 1 1 1 1 1 1 1 1 1 2032 2021 1 1 1 1 1 1 1 1 1 2237 1 1 1 2632 1 1 1916 1944 1900 1 1 1 1878 1 1 1 2193 2081 1 1 1 1 1 1 1 1 2053 1902 1 1 1 1 1 1 204.0209@1.3289297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3867 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 Caproic acid 4778 1 4044 4044 4463 1 4686 4967 4456 1 5022 4963 1 1 1 1 5012 5060 5289 4790 4509 1 1 1 1 1 5119 1 4617 5908 5183 1 1 4792 5059 1 4987 5121 4321 4458 5734 5107 4212 1 5299 5258 4295 4580 5105 4999 4460 4521 4440 3792 5082 4754 4427 4228 5790 5468 4780 1 4544 4433 3827 4009 3749 3786 1 1 1 1 4364 4261 191.1516@1.330807 2080 1 1 2200 3410 1 2846 1 2102 1 2219 2179 1 1 1 1 5969 5689 4748 4738 5380 5924 1 1 8346 1 3055 1 5470 5591 1 1 1 2105 2234 1 1 3224 1874 1656 2534 2569 2305 2165 1846 1 1799 1892 1 1 1 1 1861 1 10663 11856 1 1 1 1 2247 1 6697 6739 1 1 1 1 1 1 1 1 1 1 201.1106@1.349437 4360 4291 4806 4491 5321 5587 2388 2525 3739 3513 6106 5876 4204 4237 3875 4295 6606 6644 3818 3699 4675 4634 3535 3453 6023 5685 9120 10374 3586 3596 2833 2667 5541 5633 4354 4359 4585 4877 3457 3567 3114 3074 2266 1 5067 5446 3266 3575 3272 2789 7967 8338 5072 5066 7739 7584 1 1 1 1 6659 6779 7234 6288 3589 3510 4633 4793 3034 2849 4058 4235 2897 2830 135.0676@1.4137503 14480 14308 15590 15174 7702 9751 1 5574 9899 9486 9513 11278 10224 9700 7722 7634 11649 10751 26501 27060 14976 16042 11518 10771 7629 7196 1 9357 7473 7344 8619 8247 9037 1 6395 6370 13275 13747 25381 24261 9727 8828 1 5720 5359 1 17126 16882 1 7601 13897 13768 13964 15069 11326 11469 1 1 1 1 6175 6148 1 1 7722 7400 8316 1 6072 5850 5525 5732 12672 12996 181.0733@1.4166799 26773 1 28757 1 1 1 1 1 20588 1 23331 1 1 1 14782 1 22534 23164 64324 1 26861 1 1 1 15476 1 21793 1 15570 1 21921 1 21393 20568 5463 1 1 1 65505 1 1 1 13067 1 12016 1 1 1 1 1 33708 32042 32869 1 1 1 1 1 1 1 11553 1 1 1 15501 1 1 14154 11759 1 9905 9227 1 26733 164.0468@1.4141811 15368 45974 16595 48578 30621 31224 15469 16125 9815 31128 11364 34889 31140 32744 7438 22675 11490 11157 32784 100996 15482 53727 36505 35486 7251 24617 9294 30873 7063 23672 8824 31889 9407 9454 6558 21571 46348 50061 26161 93274 32691 32422 5170 19111 5308 16805 64161 63603 24801 25393 14755 13728 14683 48254 37305 39331 1 1 1 1 5472 17161 13292 13245 7863 23201 23086 7883 6222 18210 4839 5368 38240 1 103.0457@1.4769758 1 1 9673 1 1 1 1 1 4931 1 1 1 4051 3625 1 1 8625 1 13960 16055 10332 1 5537 1 3371 3695 8306 7653 4492 3631 5446 6353 10980 10349 1 5948 1 5007 1 1 1 1 1 1 1 1 4319 1 11309 3498 1 1 1 1 1 4996 1 1 1 1 1 5097 1 1 1 1 1 1 1 1 3615 1 1 1 205.1203@1.5173945 5126 1 1 1 1 1 1 1 6194 1 1 1 1 1 1 1 3793 4288 1 1 1 1 1 1 10150 1 3175 1 6877 1 1 1 4064 1 1 1 1 1 1 1 1 1 10303 1 1 1 1 1 1 1 5947 1 6115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0214@1.5168366 11319 11719 1 1 1 1 1 1 1 13431 1 1 1 7445 1 1 8479 9550 6865 7843 5266 1 1 1 18145 17052 1 7171 1 1 1 7857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9197 1 11529 1 1 1 1 6196 1 18085 1 1 1 1 13212 1 1 13041 15894 1 1 1 1 1 1 11796 204.1185@1.512047 1 1 44031 1 1 1 1 1 1 1 1 1 1 1 33951 1 36135 1 33639 1 1 1 1 1 1 1 31236 1 62724 1 1 1 41047 46621 1 1 26645 1 1 1 1 1 1 1 1 1 1 1 36533 1 1 1 1 1 1 1 1 1 1 1 29579 1 56824 1 1 1 1 1 1 1 1 1 6815 1 L-Glutamic acid n-butyl ester + 1.51668 659520 626211 512864 572560 717567 799338 357707 382149 813960 697072 419799 448050 428868 403422 1 418827 479774 518072 424417 492831 381489 517246 989706 1 1205371 1339479 403190 450101 814212 868337 445212 465220 512728 489601 304789 339926 338110 358460 619370 591444 714358 683747 1 1389105 329344 345730 987154 820811 458352 540376 1 702315 1 966977 395314 378077 1 1704980 67481 65058 376133 563047 1 793935 1 1 1010752 1 122608 112179 241597 225482 695906 723207 111.0426@1.5633279 1 3603 2682 1 3934 2903 1 1 1 1 3247 1 1 2810 2302 1 4496 1 1 2818 3071 3344 4677 4426 1 2883 1 3141 3737 3876 2323 1 2707 1 1 1 3014 2804 3628 3206 3285 3405 1 1 4398 2895 5060 1 1960 1 3247 3881 1 1 1 1 1 5936 1 1 2963 2877 1 1 1 1 3630 1 1 1 1 1 1 2853 Phenacylamine 8714 8844 8975 8842 5084 4950 3192 3086 6099 5683 7128 7274 5648 5620 4224 4889 6951 6427 14879 16879 8434 8789 6281 6038 3856 3900 5125 5929 4057 3891 4931 5202 5917 6137 4019 3718 7523 7785 15179 15762 5487 5457 3244 3156 3184 3685 10622 9780 4221 4121 7269 7663 9047 8970 8106 8618 16593 16515 1 1 3883 3699 2864 3057 4487 4684 5051 5002 3972 3982 3495 3984 8312 7306 Phenylpyruvic acid 8835 30438 9175 32059 16465 16158 8372 8896 18823 18031 22795 23511 18486 17190 13552 13117 6889 6595 16098 61009 8764 31163 21468 21691 3715 12840 5265 19026 4045 14002 16102 18247 6061 6043 3703 13194 7991 29735 17728 62994 19574 19560 2833 10127 10105 3380 41011 36945 4107 14866 7935 26637 9598 36717 31701 31756 61691 63060 1 1 3496 12469 2955 8720 4385 13841 16279 4750 3852 11848 3478 1 24550 23318 191.1512@1.5630822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7241 1 1 1 1 1 1 3984 1 1 1 1 1 1 1 1 1 1 1 Barbital 3976 4735 4930 5471 4884 5238 2524 1 4066 3965 5767 5607 3574 3433 3653 3684 7286 6726 3706 3810 4307 4922 3367 3556 1 4474 7157 1 3852 3632 2247 1 5203 5057 2947 3063 3541 3165 4502 4901 2804 2921 1 3151 4150 4861 5226 4341 1 3459 8499 8064 5619 6518 1 6161 9043 7836 1 1 6493 5477 5274 5540 3028 3281 5489 5438 1 1 1 1 3145 2993 181.0734@1.5991387 17267 1 19335 1 1 1 1 1 1 1 1 1 1 1 1 1 15330 14101 35319 1 17845 1 1 1 9058 1 12208 1 1 1 1 1 14040 13976 8425 1 18779 1 41772 1 1 1 7324 1 1 7905 1 1 9293 1 19109 1 22498 1 1 1 1 1 1 1 8032 1 5497 1 8909 1 1 10273 7422 1 5999 1 1 1 133.1095@1.5744096 3681 3639 2909 1 3248 3289 1 3040 1 3664 1 3571 1 1 1 1 3757 1 3486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4081 3549 1 1 3434 3539 3485 3863 3562 3575 3905 3384 1 1 3943 1 1 1 3722 1 1 1 1 1 1 1 1 3794 1 1 1 1 1 3284 3271 1 1 1 1 1 1 85.053@1.5724521 1975 1 2660 1 1 2941 1 1 3080 1 2565 1 1 1 1 1 2709 1 2748 1 2328 2345 1 1 1 2404 1914 2331 1 1 1 1 2014 1966 1 1 1 1 2542 1 2519 2640 2887 2812 2119 2591 1 1984 1 1 3892 3896 4395 4540 1 2789 1 2869 1 1 2115 2525 1 1 1 1 2044 1780 1 1 1 1 2615 2605 142.1098@1.5912522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5828 1 2433 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 1 1 1 1 1 1 1 1 2892 2653 1 1 1 1 1 1 1 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 C5 H9 N4 1 1 1840 1 7629 7299 1 1 5041 4922 2335 4293 1 1 1 1 6783 6891 1 1 1 1 9990 9486 1 1 1723 1 1 5175 1 1 1 1 1 1 1 1 3683 3520 1 1 2739 5629 1 1 1 1 1 1 5716 6218 2903 1 6828 7092 1 1 1 1 3475 6632 1923 3274 1 1 1 1 1 1 1 1 1 1 Prometon 8936 9946 2907 1 6065 5331 6426 5588 4691 4688 3198 3003 1 3622 4078 1 4879 5539 3496 3305 3426 3141 10909 11356 10600 10859 1 2095 7306 8323 1 1 1 2377 1 1 1 1 7391 7998 6896 6229 13300 12955 1 1 20629 14842 2852 2803 7970 8074 4818 4751 2454 2285 10681 25331 1 1 1 1 4231 3855 5823 5951 11376 9729 1 1 1 1 8193 7714 85.0893@1.7924392 1 1 1 70368 1 1 41199 38773 1 1 66659 1 54228 1 70114 1 102779 93375 154479 1 104420 1 1 1 113656 1 42935 1 59839 64856 61604 1 52486 55069 35922 35165 1 33233 159305 1 76585 72975 65256 1 37959 35863 1 1 54941 1 127436 126541 67015 73470 1 1 1 171322 1 1 45366 51494 58159 70346 59713 1 1 63957 57378 1 1 72177 1 1 86.0922@1.7814497 1 1 3410 1 1 1 1 1 1 1 1 1 1 1 1 1 5811 1 1 1 1 1 1 1 5840 1 1 1 1 1 1 1 1 1 1 1 1 1 7470 1 1 1 1 1 1 1 1 1 1 1 6544 6830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3464 1 1 1 1 1 1 L-Leucine 33311 35493 1 34072 1 31924 19462 1 48415 48195 33894 33728 27224 28449 34943 33437 54848 48972 1 1 55927 64520 43176 41042 1 62097 23530 24227 33928 34858 35716 35132 30936 27096 19422 21560 1 30177 100603 100139 41473 41619 40020 40962 20293 21125 57682 55459 34442 33642 76723 69125 40288 44479 1 1 1 95392 1 1 23641 26293 31424 30436 29719 30292 33556 32880 29931 30136 33945 32528 31355 32930 132.0964@1.705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Prometon + 1.7550333 8591 6718 1 1 4951 4414 12206 12361 3979 3551 2922 3136 5443 5542 3478 3967 7241 4283 2887 1 1 1 20655 21623 29396 33978 1 1 18208 19295 3341 2924 1 1 1 1 1 1 3947 4067 11054 12024 18753 18277 1 1 10082 18218 3004 3061 9920 10174 5250 3935 1 1 14791 46682 1 1 1 1 5630 5159 10421 10122 20321 19874 1 1 1 1 17409 16728 132.0969@1.8145384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3450 3494 1 1 3163 1 1 1 3879 1 1 1 1 1 1 1 1 1 1 1 1 1 5662 1 1 1 1 1 1 1 1 1 1 1 4966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1,4-Naphthoquinone 5132 5000 1 4097 6532 6574 1 6734 6063 6039 4033 1 1 1 4454 4724 6439 6056 6582 6486 1 4668 5623 5508 5695 5538 6128 5965 6451 6259 1 1 5775 5542 4291 5285 1 4507 5218 5297 6325 6547 5389 4924 5716 5903 5095 4215 7319 7064 6056 4954 4746 4517 6568 6858 4871 4512 1 1 6489 6620 6571 6402 1 1 1 1 1 1 1 1 1 1 122.0476@2.0623379 1 67091 1 94847 1 1 58388 1 1 1 1 1 75302 1 1 1 155068 1 1 106710 1 1 1 1 104585 1 1 1 139440 1 1 1 1 1 1 137579 120432 128104 90449 98204 135796 141303 136528 1 109188 110349 66088 1 91571 92662 164944 156771 109837 120164 144717 141132 81776 77761 1 1 1 98707 163795 171827 1 81440 154760 131860 76620 76650 126354 122493 132324 141002 85.0528@2.4881794 1 1 1 1 1 1 1 1 10122 11156 7708 1 1 1 1 1 20610 18733 20836 19578 1 16217 1 10048 1 1 21494 19420 1 10800 1 9141 1 1 1 25446 20711 18451 1 12189 1 15069 1 1 21239 1 1 1 1 1 25626 1 1 8584 19156 18563 1 1 1 1 18632 19800 19582 16557 1 6422 1 1 1 1 16846 16874 1 1 152.0579@2.6037338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16895 18615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.134@3.062035 3208 1 10750 1 1 1 1 1 1 1 1 1 1 1 1 1 7778 7970 1 1 1 1 1 1 1 1 1 1 9270 1 1 1 1 4885 4171 1 7255 1 14200 1 1 1 1 1 1 4064 1 1 1 1 11101 1 11224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 1 1 1 3,6-dioxo-decanoic acid 34214 36669 112582 125811 72481 73032 47465 45620 108972 108937 74423 74205 29593 29331 24091 24425 83124 84683 85862 84378 75094 72808 111668 115846 82850 84662 55608 56908 105482 110923 50173 49880 62717 57179 42459 47936 72888 83470 162169 176760 78900 79893 79512 83109 47059 41512 130602 131576 67047 67834 125726 133431 121891 128338 63400 64583 109927 110509 6282 5485 62558 62011 71151 69459 76883 77611 61790 61478 15386 16472 21872 20660 88464 86164 193.1097@3.0320547 21712 19330 1 20139 17914 19660 18799 1 21935 19210 17434 17900 1 30246 1 22260 17630 1 1 21937 1 20146 17928 24230 18524 24004 19475 19127 1 1 1 1 1 1 1 25301 1 1 1 18067 16906 20080 18344 20702 1 1 19410 1 1 19426 15719 18023 18860 19665 23304 22242 19740 17885 15133 13731 19673 22400 1 15133 1 19961 18900 16671 1 17618 1 17391 14628 14994 267.0961@3.1113894 4339 1 1 1 1 1 10804 10198 1 1 1 1 1 1 1 1 7405 1 1 1 10556 10652 12703 8228 19050 18880 6046 6588 1 1 1 1 1 1 1 1 1 1 1 1 11223 11200 1 1 13603 13530 1 1 3970 4049 8119 7150 1 1 1 1 1 1 1 1 1 1 1 1 26636 30555 18075 18220 1 1 1 1 1 1 270.0674@3.1237035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 3264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6-Methoxyquinoline 150831 201241 179427 189272 311154 304463 189628 185700 342084 329949 131160 186400 97742 100630 51611 48920 196562 192937 148295 202671 332291 339819 270627 262404 398773 390888 163458 232214 70028 99594 124734 173936 157378 158004 10721 13157 64387 73321 126280 142688 326209 316662 347447 343516 198856 193947 230376 231045 200318 215655 133394 137926 153023 161060 173721 180266 245288 234649 34212 33197 199564 201411 253767 269415 191713 284693 178835 128988 111129 117818 100738 98847 42620 41273 177.0976@3.191772 1 1 4081 1 1 1 1 1 1 1 3924 1 1 1 1 1 5860 5853 4376 1 1 1 1 1 1 1 4785 1 1 1 1 1 4929 1 1 1 1 1 2866 1 1 1 1 1 4784 4553 1 1 4752 1 4426 4084 3644 1 1 1 1 1 1 1 1 1 6097 1 1 1 1 3590 2214 1 1 1 1 1 176.0946@3.1925104 39116 1 1 1 1 1 1 1 1 1 34151 1 1 1 1 1 56580 53983 48590 1 1 1 1 1 1 1 56712 1 18258 1 39182 1 56453 50709 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46597 40669 1 1 1 1 1 1 1 1 1 1 1 1 56977 1 1 32426 1 1 23191 22792 1 1 160.0711@3.1928077 18323 1 14169 1 1 1 1 1 1 1 12307 1 1 1 1 1 17993 18714 13964 1 1 1 1 1 1 1 15440 1 7612 1 11258 1 15313 15549 1 1 5133 1 9000 1 1 1 1 1 13668 13656 1 1 15952 1 12949 13084 11057 1 1 1 1 1 1 1 1 1 18393 1 24921 1 1 13904 8159 1 9754 9606 1 1 220.0869@3.1952662 1 1 1 1 2227 2547 1 1 2422 1 1 1 1 1 1 1 2115 2111 1 1 2814 2835 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1790 1 1 1 1 2201 2368 1 2372 1 1 1 1 1 1 1 1 C12 H23 N O5 13632 14692 11358 12251 19990 19743 8632 8412 20505 19752 12451 12599 12710 13491 16416 16625 13388 12237 12878 12839 9496 10270 17284 18107 12942 13007 12019 12595 12119 13050 11859 12962 13864 12264 8063 9306 9200 8968 13774 15607 16583 16428 17413 17279 7601 6866 19859 19997 11340 11194 19243 18840 21731 22592 11156 11483 26616 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2505 2641 1 1 2477 1 2143 2476 1 1 2607 2285 1 1 1 1 2407 2922 170.0951@3.3672152 2350 1 1 2593 2822 2720 2632 2720 2996 1 1 2902 2616 1 2900 1 3044 1 3112 1 2964 2879 1 1 1 1 2668 1 3461 1 2999 3435 1 3043 2907 1 3095 2980 2904 2902 3068 2910 2868 2909 2788 3046 2752 2404 2478 2422 1 2767 2852 1 1 1 2720 2804 1 1 2759 1 2425 1 1 1 2546 2677 1 1 1 1 2536 2451 Benzaldehyde 3795 4011 4933 5182 4059 3851 2611 2640 5256 5196 5912 5831 3487 3311 3771 3778 5777 5682 7335 7086 5722 5518 1 4140 1 5853 4805 5217 1 3477 1 1 4769 4542 3199 3386 7032 6795 7924 7025 4291 1 3368 3446 3279 3099 6853 7181 4305 4571 6232 6207 4711 4380 5179 5179 3648 4166 1 1 3738 3830 3490 3535 1 1 4526 4030 2963 1 1 1 4002 4353 172.1014@3.368308 1 1 7865 1 1 1 1 1 1 1 8165 1 1 1 1 1 8290 8391 8865 1 1 1 1 1 1 1 8741 1 1 1 9144 1 9330 8893 8770 1 8896 1 1 1 1 1 1 1 8909 9114 1 1 7840 1 8753 8493 8665 1 1 1 1 1 1 1 1 1 8074 1 7883 1 1 7672 5481 1 7752 1 1 1 125.0935@3.367929 256573 1 284677 1 1 1 1 1 1 1 269420 1 1 1 1 1 278972 281160 280731 1 1 1 1 1 1 1 265360 1 1 1 270835 1 261639 255016 251315 1 250332 1 1 1 1 1 1 1 265551 269782 1 1 231803 1 241646 245670 257143 1 1 1 1 1 1 1 1 1 253988 1 257891 1 1 256854 185680 1 273759 1 1 1 193.081@3.3676844 4566 3589 4246 1 1 1 3594 3174 4540 1 4319 3900 1 1 1 1 4505 1 4580 1 1 4087 1 1 1 1 1 1 1 4227 1 1 4274 4373 5313 1 4876 4409 4395 1 4733 4042 5056 4520 5368 5592 3789 1 4409 4055 1 4729 4662 1 1 4387 4345 4207 2453 1 3986 3833 4939 1 1 1 3890 4472 1 1 1 1 1 3783 171.0992@3.3682334 300594 1 329972 1 1 1 1 1 1 1 331930 1 1 1 1 1 362087 357373 369165 1 1 1 1 1 1 1 370176 1 1 1 380702 1 376899 363513 356195 1 365055 1 1 1 1 1 1 1 368615 373691 1 1 322882 1 334615 336647 354030 1 1 1 1 1 1 1 1 1 315239 1 313023 1 1 303950 210110 1 1 1 1 1 154.0726@3.3669374 23780 328665 25327 373421 376176 376785 367512 378541 389955 372912 23748 368166 343574 338038 403094 405320 25070 25697 24753 399997 398173 401835 401377 409000 414401 394425 23851 410944 435301 422875 24213 418868 23294 23216 22846 389022 22519 396280 377710 379696 395755 403356 404022 396884 22832 23899 354365 356425 20432 349931 22411 15452 22867 389390 377270 380931 374838 370202 236407 235909 341840 349401 22771 349996 22669 345170 343070 23257 16926 235317 24058 1 334388 336004 165.0787@3.3689568 120135 1 159983 1 1 1 1 1 1 1 216219 1 1 1 1 1 204896 1 276241 1 1 1 1 1 1 1 183017 1 1 1 176829 1 207431 203091 129146 1 302661 1 1 1 1 1 1 1 124780 125826 1 1 178363 1 257002 258522 168729 1 1 1 1 1 14277 1 1 1 125776 1 129985 1 1 137642 95002 1 105589 1 1 1 336.1772@3.3659008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 3220 2879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0815@3.3686574 9824 1 12656 1 1 1 1 1 1 1 16719 1 1 1 1 1 16219 16939 21576 1 1 1 1 1 1 1 14172 1 1 1 14496 1 16666 16445 10306 1 23228 1 1 1 1 1 1 1 10213 10195 1 1 14550 1 20676 20677 14147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11418 7572 1 8873 1 1 1 126.0949@3.368114 1 1 4940 1 1 1 1 1 1 1 1 1 1 1 1 1 4675 4806 1 1 1 1 1 1 1 1 4586 1 1 1 4758 1 4214 4355 4326 1 1 1 1 1 1 1 1 1 4523 4587 1 1 3624 1 3940 3860 4394 1 1 1 1 1 1 1 1 1 4142 1 1 1 1 4314 3147 1 4726 1 1 1 119.0732@3.3686466 114841 1 152478 1 1 1 1 1 1 1 192478 1 1 1 1 1 175972 178152 226230 1 1 1 1 1 1 1 144801 1 1 1 1 1 158849 156044 99321 1 228470 1 1 1 1 1 1 1 98584 98722 1 1 137075 1 201328 204477 136363 1 1 1 1 1 11628 12177 1 1 102335 1 117140 1 1 126289 89390 1 99312 1 1 1 C3 H6 N5 8607 8258 8981 8937 8852 9376 8464 9016 8974 9112 8628 8630 7687 7813 9287 9201 8902 8522 8940 8584 8699 8201 8180 8515 8164 8136 8297 8750 8250 8894 1 8232 8110 7709 7701 7657 7418 8052 7525 7648 8136 8070 7820 7920 7974 8373 7150 7864 7019 6966 7386 7517 7800 8243 8420 7564 7935 8153 5493 5384 7990 7837 7890 8329 7838 7700 8071 8248 6208 5902 9083 1 8371 8549 148.0522@3.3677135 1 144546 14648 188818 140399 146713 95636 98589 208607 215767 18198 251498 129028 131047 159062 160683 16439 228973 20916 324473 254369 255316 173622 174192 256987 258375 12807 218159 164702 172421 1 206302 14036 14438 9662 151580 21184 344316 379955 375526 216870 217511 164038 160566 9598 9919 357154 354442 13275 207096 18911 18461 12817 199116 238726 241429 173320 173433 1 15609 161681 162088 10094 139462 10436 155139 162427 11586 8389 112259 1 1 151917 153147 561.1942@3.367562 1 3153 1 3355 3222 1 1 2103 3961 3837 1 3581 1 1 1 1 2611 1 3299 1 1 4265 1 1 1 1 1 1 1 1 1 4014 2802 2802 2494 1 1 4156 1 3672 1 3319 1 3485 1 2390 3375 3730 2705 1 1 2530 1 1 1 1 2585 3163 1 1 1 1 1 3097 1 1 1 2037 1 1932 1 1 2921 3127 102.0467@3.367503 1 120885 4128 152568 116991 117010 76947 78311 165652 167564 5479 197041 101682 100098 120395 121900 5108 5136 6583 233989 183285 185460 126790 123145 182559 179722 3652 152371 115427 112826 1 138948 1 4656 3047 101001 6690 230784 261077 257144 144597 150941 113137 111196 1 1 244141 247457 4356 142184 6045 6196 4234 142694 1 171101 128261 125198 1 1 123156 124440 1 108179 3853 123430 128835 4169 1 92614 1 1 129214 128347 108.0669@3.366924 6738 275385 7035 287747 301092 303591 289956 293354 298296 298063 7035 284435 257583 258541 297924 302394 7722 7403 7875 296053 287493 287881 289415 289833 283450 286506 7348 287150 297814 293122 7540 281990 7315 7160 6587 265089 7223 270258 262768 253510 269215 275381 271729 273076 7514 7791 241722 244822 6912 242514 7193 7141 7189 273737 270126 269300 272356 276031 178721 179377 264390 266967 8124 271477 7666 275395 271709 7736 5412 196971 8117 1 283266 271763 187.0599@3.3678727 1 1 1 1 1 1 1 1 2554 1 1 2689 1 1 1 1 2662 1 3447 3199 1 1 1 1 1 1 2252 1 1 1 1 1 1 1 1958 1 4052 3539 3853 3527 2582 1 1954 1 1 1 3535 3498 2669 1 3480 3894 2806 1 1 1 1 1841 1 1 1 1 1 1610 1 1 1 2007 1 1 1 1 1 1 406.2042@3.4327638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1 1 1 1 7335 1 1 1 1 1 1 1 1 1 1 1 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 1 75.0322@3.441877 1 1 1 1 1 1 1 1 1 1 1 2086 1 1 1 1 5681 5292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 2651 1 1 3018 3172 1 1 1 1 1 1 6177 6557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2554 2574 1 1 1 1 1 1 145.0735@3.4432533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 3753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,3-bis (4-Hydroxyphenyl) Propionitrile 1 1 1 1 7221 7152 3799 3672 9050 9074 1 3612 1 1 1 1 3386 1 1 3421 1 1 11215 11361 11047 10781 3297 1 4275 3839 1 5322 5152 1 2790 1 1 3439 1 3941 9672 9907 10557 10745 3547 3659 9294 9325 1 1 7911 7576 8168 7601 1 2987 13186 12593 1 1 1 4069 7458 8324 8107 8520 4381 4411 1 1 1 1 3588 3474 Methdilazine 1 1 11501 11012 2381 1 1 1 1 1 5520 4666 1 1 1 1 2911 1 11784 11763 7985 7791 1 1 1 1 10651 10745 1 1 1 1 9510 9120 6239 6245 11804 11406 8184 8362 1 1 1 1 2973 1 1 1 1 1 1 1 6366 5981 1 1 1 1 1 1 4949 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1102@3.6286936 1 1 1 9188 8908 9357 2234 2404 8760 8183 4215 4313 3057 1 1 1 5173 1 1 9420 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152742 131118 1 1 1 1 1 214506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0737@3.9088342 1 1 4431 4592 3523 3558 1948 1 1 1 1 1 1 1 1 1 3060 1 4921 1 1 5833 1 1 1 1 1 3119 1 1 1 4122 1 1 1 1 1 1 5300 1 1 1 1 1 2054 1 4740 4908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4443 1 1 1 1 1 1 1 1 158.0838@3.9090738 1 3143 7114 6858 5508 1 3492 3921 1 4707 6517 7069 1 1 1 1 5051 1 7953 8631 9200 9229 7685 7337 7374 6823 1 1 1 1 1 1 1 6052 1 1 1 5947 8603 8462 3889 3883 1 1 4164 1 8692 9285 1 6156 1 6723 1 5431 1 7102 4549 4911 1 1 5579 5209 3614 3589 1 7298 2693 2466 1 3194 1 1 3022 3209 269.1466@3.942948 3660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4195 1 1 3765 1 1 1 1 1 1 1 3377 1 1 1 1 1 1 3576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1203@3.9429069 4309 7349 7093 7348 5980 6555 6178 6291 6817 7013 6790 7576 6809 6821 8178 8516 5370 10164 6350 6301 8576 7576 6809 7215 6978 1 7918 8220 6832 6730 6366 6341 9010 4427 7560 7616 1 6836 7219 7716 8108 9102 8089 7747 3824 7109 9050 7874 5838 5434 7444 3717 6910 7546 7950 8155 6529 6924 8062 7869 5704 5138 8664 8904 1 7706 8018 7263 8540 8749 4699 5954 7611 7781 N(alpha)-t-Butoxycarbonyl-L-leucine + 3.9469597 40422 41387 61787 62778 81514 81245 31124 30854 52298 52799 54838 56552 25075 24370 24748 24580 59890 55708 37981 43681 40609 40407 54930 55475 64652 63772 28035 27952 63210 64137 22313 21677 29409 26819 21349 23270 25550 25134 137209 132956 45858 47444 72423 70508 16011 17911 98604 96482 35026 36838 81886 74454 57780 65431 29451 29973 68047 67180 4560 4468 40546 39666 58296 64411 48181 46903 55117 52824 12125 11909 19265 19033 48233 45398 132.0782@4.0142517 3655 2727 1 1 2684 2775 3199 3264 1 2594 1 1 1 2947 1 3377 3389 3558 2513 1 3479 3618 2816 2874 1 1 2487 2385 2155 2209 2231 1 1 3023 1 1 1 1 1 1832 3032 1 1 2647 1906 1 1 2763 1 1 1 2793 1 1 1 1 2329 1 3070 2555 1828 1 3284 2940 2198 2233 1 1 1 3953 1 1 1 3062 239.1445@4.014727 8248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11175 12278 8637 1 1 1 1 1 1 1 8333 1 1 1 7293 1 10767 9959 8806 1 1 1 1 1 1 1 1 1 6943 6772 1 1 6986 1 1 8993 7311 1 1 1 1 1 1 1 1 1 9845 1 6761 1 1 1 1 1 1 1 1 1 238.1414@4.014093 81731 125302 132464 123765 110498 108973 143691 143593 120087 115604 134203 132810 138773 142577 165871 166176 157883 112616 89859 133359 182623 186231 145447 151000 108577 110657 75994 124388 122023 119248 75465 121926 106591 152962 92490 147988 103848 150802 111233 106020 169313 174574 135613 135280 68232 68723 145637 143932 74669 121901 143993 89081 95246 105555 155580 155735 121190 120355 138020 141591 86186 87212 139879 151772 68448 101695 145658 145807 133525 188161 73572 73893 134290 128079 88.0529@4.0162916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6776 1 1 1 1 7223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8833 1 1 1 1 256.1704@4.014171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4197 1 3459 1 1 1 1 1 1 1 3397 1 1 1 1 1 4505 4487 3947 1 3962 1 1 1 1 1 1 1 2696 2881 1 1 3095 1 1 3635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tetrahydrofuran 1 1 1 6686 8595 10294 1 6083 5317 9339 7131 13440 4885 7722 5139 8533 4914 8439 6193 9056 5004 1 5695 6834 8484 11195 8722 13550 8248 11982 7553 11450 8494 11903 11295 14414 6710 13597 6560 8575 4787 9493 6414 9853 9160 14106 4354 5412 1 14564 1 5204 4745 9298 4534 1 5155 7419 1 3245 1 5126 6604 9400 1 5670 6464 9611 4579 11318 5147 12129 5416 7594 296.1464@4.2518187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4476 1 4310 4551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1673@4.3079777 11598 37287 33017 33089 30287 31842 31217 30649 30748 30682 32526 32923 35761 35564 46044 45240 38800 12708 7811 29643 33670 34042 30753 30073 29021 30193 7570 33372 35511 36714 8148 33538 38505 36447 7863 35967 8664 41186 31289 32443 38479 39606 29383 30067 35245 9032 36663 36680 35656 37193 34155 30631 6828 31634 34312 34233 29052 28457 34686 34112 30347 30319 8416 32199 8062 32204 33974 33243 32460 38440 29175 32029 32488 34811 300.1972@4.308062 2748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 2471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3352 2864 1 1 1 1 1 1 1 1 1 3226 3126 1 1 1 1 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Oxindole 1 1 12913 13248 1 1 1 1 4493 5070 9718 9544 1 1 1 1 4008 4672 8798 8852 6378 6145 1 1 1 1 2159 1 1 1 1 3533 9743 9594 4378 4454 8151 8311 3518 1 1 1 1 1 3461 3331 3589 2678 4509 4083 4098 4210 8443 8542 12162 12334 1 1 1 1 4515 5149 2348 1 1 1 1 1 1 1 1 1 1 1 105.0576@4.4083657 1 1 1 3487 1 1 1 1 1 3192 6104 5951 1 1 1 1 3968 4286 9277 9022 6803 6211 4243 1 1 1 1 1 1 1 1 1 10122 10431 9691 11353 5034 5067 5984 5681 3321 3412 1 1 8713 8265 1 1 19619 19463 1 1 1 2674 18220 17531 2038 1 1 1 2892 1 3034 1 1 1 3425 3312 4133 4768 1 1 1 1 263.0459@4.4082403 1 1 1 1 1 1 1 1 1 1 5855 1 1 1 1 1 3832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3234 1 1 1 1 2587 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3059@4.438411 1 1 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21572 21446 22045 21969 1 22265 22289 22384 19068 22202 24260 1 18436 22311 1 25692 22021 20903 22433 22668 22143 21459 24299 21385 23859 24820 22663 22415 1 1 1 21609 22005 22454 21439 20839 20276 1 23627 23731 1 21186 19685 22443 19281 18726 17563 19848 21736 23562 19491 19116 344.2227@4.559782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (-)-11-hydroxy-9,10-dihydrojasmonic acid 11110 10902 16888 16901 11398 11388 4280 4320 17687 17910 9662 9551 4007 3954 3721 3749 15548 15569 15328 14983 11433 11288 5776 6019 7651 7850 10570 12415 9995 10145 5579 5487 8750 7940 3829 3720 7899 7909 24193 24450 6483 6879 8845 8729 3996 3890 14906 14443 11188 11594 13773 13963 9435 10182 11534 11691 8578 9434 1 1 12399 13057 5428 4886 1 3443 9771 9943 2877 2878 4282 4258 11190 10476 899.4122@4.659602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4751 5290 1 1 1 1 1 1 1 1 3583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 4242 4073 1 1 1 12246 6206 1 3752 1 1 1 1 1 1 5397 1 1 1 386.1852@10.007026 1 1 1 1 1 1 3608 3511 1 1 4280 1 1 1 1 1 14926 1 7100 1 1 1 5700 1 1 1 6132 1 1 1 1 1 1 12641 1 1 1 1 1 1 8744 1 1 1 10643 7009 5469 3245 4770 1 1 10042 7928 1 1 1 1 1 3223 2835 1 1 7903 1 1 1 1 1 1 1 1 1 1 1 360.2663@10.051665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4070 1 1 1 1 1 1 1 1 1 1 1 5024 1 1 1 1 1 1 1 1 1 620.2957@10.049797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4042 1 1 1 1 1 1 1 1 3301 1 1 1 1 1 1 1 1 1 5826 1 1 1 1 1 1 1 1 1 1 1 7053 1 1 1 1 1 1 1 1 1 234.1252@10.05163 27882 28046 27324 28625 27478 27638 26198 27903 27437 23384 26443 26979 26176 27273 25707 27706 25644 26563 26227 25733 26659 31368 26413 25958 25709 26003 26384 29798 26538 27432 26501 29702 23930 25830 25469 26084 25784 27178 24908 24471 24298 24880 24950 24568 23786 23329 24641 22249 24464 24355 25204 24577 24362 24251 22872 25659 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5467 2201 97002 84367 87490 1 1 1 1 1 1 1 89997 1 1 1 1 1 1 108673 1 1 1 1 1 1 1 1 1 1 94211 95884 4664 1 1 1 1 89757 1 3866 1 1 8105 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0776@10.104734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3321 1 1 1 1 1 1 1 1 1 2674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate 24562 20598 20635 17283 25517 22330 19160 19788 23117 20490 23180 20043 24361 23205 18264 16701 34569 32316 32272 25523 23687 22437 21494 18141 27678 21512 36955 26477 26165 22245 35656 20832 29337 5968 27735 19591 26157 21242 22652 17274 28089 25659 30587 25166 40769 40753 26084 24347 26348 23944 29450 37384 31568 22756 23388 20069 21806 19093 14134 14491 29372 21896 27089 19012 25124 18738 22685 22716 22354 15648 21360 21016 18193 17868 487.2909@10.110315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3593 1 3094 1 1 1 1 1 1 1 2851 1 1 1 1 1 1 4033 1 1 1 1 1 1 1 1 1 1 4752 4579 2194 1979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2043@10.107589 546081 382700 372691 255881 463078 383180 318704 326490 389004 307018 359402 290298 489273 469437 247641 186339 856354 588426 637469 454877 398594 374930 447557 290406 550722 450613 686962 488239 457481 335466 808334 396009 633863 936142 530549 223479 379835 300235 350172 241237 512335 417417 503736 420154 1067360 975308 547541 462365 474976 349137 503982 636537 624495 321284 374411 287826 282819 259190 174073 174021 493619 349573 541516 252095 528827 287870 441136 602673 415300 203872 331832 298947 296376 298656 534.2473@10.108497 63267 48167 43572 31291 50300 43153 39112 39872 43174 33819 36959 28013 51347 50600 27199 20735 88000 65639 65381 45147 39023 35472 43471 31316 46085 39916 73069 46633 1 34494 56270 29986 56794 86080 46846 22183 36900 28935 34285 25090 50769 43053 50418 43521 99962 89325 53796 47205 45512 33764 46961 63486 56261 30312 34922 25577 28803 26297 18765 20308 48216 34062 48741 24518 49463 30260 45392 58063 42792 21795 32483 29223 31364 31854 513.3074@10.109671 3561 1 1 1 1 1 1 1 1 1 1 1 1 2439 1 1 4173 3812 3616 2384 1 1 1 1 1 1 3333 1 1 1 3110 1 2947 4611 1 1 1 1 1 1 1 1 1 1 4167 4049 1 1 1 1 1 3659 2451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2567@10.108016 20240 15934 15346 11608 18088 16543 14871 14820 17041 14019 15592 13809 20509 20332 12392 10695 34799 27721 29481 22108 19969 18955 19864 14989 25093 21526 32182 24585 22880 19757 33390 21739 29843 41903 26809 14362 21802 18075 23362 15412 27973 26977 28688 25139 48416 47369 30783 27449 27766 21791 28826 37880 34817 21765 23913 19149 19216 17957 13143 13623 29552 23402 31829 18658 33196 20235 29771 40733 26968 15992 22841 21664 22918 22661 440.2005@10.108347 5953 1 1 1 1 1 1 1 4550 1 1 1 6117 5637 1 1 8529 7177 1 1 1 1 1 1 7266 5814 1 5444 1 1 8992 1 6238 9451 1 1 1 1 1 1 1 1 1 1 1 8723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5346 1 5425 1 4941 1 1 6203 1 1 1 1 1 1 501.2721@10.108153 7607 5720 5301 4167 6555 5418 4650 4891 5101 4203 4513 3778 5806 5599 4029 2789 10685 8502 8794 6497 4683 5519 5167 4027 5621 4975 9014 6365 5826 4318 6962 4172 7852 11267 7362 3369 5715 4746 5393 4236 7647 6196 7015 6562 13052 11979 7626 6724 6854 5074 6646 8443 7460 5000 5024 3929 4225 4034 2535 2652 6875 5032 7209 3737 7508 5061 5838 7268 5913 3176 5207 4823 4417 4540 467.3003@10.16932 5964 1 3216 1 5280 1 1 1 1 1 4856 1 1 1 1 1 17113 9541 8127 1 1 1 4248 1 1 1 5723 1 1 1 6592 1 7191 18722 10189 1 11242 6026 5096 1 7474 1 9955 6729 6765 6025 6416 1 3871 1 7843 16582 11906 1 4682 1 1 1 1 1 1 1 13507 1 7654 1 1 6613 4271 1 1 1 1 1 229.2399@10.180942 1 7001 8190 1 6838 7568 1 6091 1 7890 8677 1 1 1 1 1 92540 59935 1 1 7882 1 1 1 14722 1 17425 1 1 1 1 1 1 1 6921 8212 1 1 10373 8324 1 14628 14126 10137 1 1 8263 1 9202 1 1 1 1 4999 1 1 1 1 1 1 25051 1 1 1 17476 1 8470 10678 1 1 5679 7646 1 14215 414.2036@10.186964 1 1 22639 1 33825 26214 7181 1 21662 1 26694 20430 20203 1 15716 1 84072 52067 48848 1 1 1 28449 1 26988 20456 47174 1 26132 1 1 1 42008 91941 45962 1 33115 16754 47783 1 1 1 37486 1 1 1 1 16220 1 1 1 60484 1 1 17554 1 1 1 1 1 1 1 38507 1 1 1 1 25374 1 1 17514 1 1 1 106.0627@10.217618 9562 9237 8164 1 9751 8221 10469 8516 8968 1 9394 9793 14798 14216 9652 9969 9604 9893 9065 9789 9322 10765 7511 8267 1 16182 11057 12307 13811 15581 1 8387 10026 11425 1 8302 1 6467 10959 9050 7865 9210 9694 9253 9014 9770 11127 10980 10987 11442 9959 12907 10341 10347 9716 1 8956 9312 10611 10732 9039 7308 9959 9241 9838 10091 14059 15348 10617 9982 10556 10786 8516 8973 C12 H26 O3 15733 15854 14950 15890 14456 13901 14367 15077 16724 17506 18633 19828 23914 22451 19526 20735 19019 18966 19843 21183 19291 19319 15279 17437 28376 28274 1 26328 28406 28966 18609 17475 21412 24740 19273 19382 14748 14259 19579 19912 16457 18394 18241 18391 20824 21928 25894 23736 22934 24646 20079 23285 21605 21380 22304 21389 19684 19259 21605 22061 15315 16084 20520 19002 19632 18124 21850 25025 20236 19434 19336 19860 17093 17428 620.2953@10.228326 7335 1 1 1 12576 6051 1 1 8586 1 1 1 1 1 1 1 5765 1 1 1 1 1 8766 1 7158 1 4658 1 1 1 12447 1 6770 20009 11705 1 6249 1 1 1 11877 1 26697 16949 1 1 1 1 1 1 11025 28056 33694 5235 1 1 1 1 1 1 1 1 29571 1 17133 1 1 5990 9141 1 1 1 1 1 C19 H40 N5 O2 6427 5726 1 8139 8452 7123 5824 6006 7665 6986 5933 6836 6472 6981 6937 6483 7990 7296 6375 6932 6629 7285 6681 7693 6516 8004 7199 7094 7273 7228 8734 7526 6237 8468 7190 7043 7969 7466 7971 7703 6827 6185 10626 10814 7562 7530 7201 7375 7680 6774 7879 10165 12209 8413 7710 7222 8306 8154 7173 7503 7066 7535 9636 7833 9255 8561 8631 9825 8506 7657 7361 7318 7945 8588 534.2468@10.249127 1 1 1 1 3429 1 1 1 1 1 1 1 1 1 1 1 8220 4803 1 1 1 1 1 1 1 1 3702 1 1 1 4354 1 1 11461 4256 1 1 1 1 1 1 1 5015 3933 1 1 1 1 1 1 1 12426 1 1 1 1 1 1 1 1 1 1 7938 1 1 1 1 1 1 1 1 1 1 1 472.2565@10.243395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7826 3954 2860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2035@10.258516 34436 1 21679 1 37821 22478 11496 13111 20978 11516 31634 20719 15908 13512 15000 6254 111384 65261 50825 20400 21188 18628 13192 13294 26794 16505 48345 20743 14627 14058 108922 15479 51095 136915 76400 13431 1 19747 1 11586 44587 21038 51741 37498 74567 66056 23814 8840 36263 15604 46854 110188 53806 14900 23206 14890 1 10314 13060 13127 37793 15597 51636 9304 24271 7090 15483 10896 33950 1 10398 25467 1 1 452.1594@10.255652 9566 5011 7053 1 10286 6844 5122 6342 6803 3379 13057 6865 4978 4154 5151 1 17437 14560 17352 6322 8862 5844 6664 3575 9881 5774 18189 7075 9468 5436 16187 5187 14610 23343 18317 4928 10228 9060 13435 6180 14136 10000 13277 10455 20259 16383 9525 1 11047 5477 15592 19777 10972 5027 10144 4320 5628 1 5399 4979 11978 5834 13083 3276 7919 1 1 5960 7675 1 6246 5335 1 1 499.2692@10.254878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4536 1 1 1 1 1 1 1 1 1 1 1 517.3157@10.274074 7553 1 8650 2146 4774 1 1 1 1 1 4069 1 1 1 1 1 32188 18436 12181 1 2929 1 1 1 22594 1 11199 3763 10534 1 6807 1 6019 15685 12231 1 12239 6034 8392 1 4287 1 7206 5230 7325 6211 3095 1 2471 1 3506 8691 11365 1 1 1 1 1 1 1 3682 1 12444 1 9583 1 1 4703 6545 1 13299 1 1 1 413.3138@10.292566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4420 1 3485 1 1 1 1 1 1 1 1 1 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.2875@10.305281 7026 1 5861 1 4756 1 1 1 1 1 6544 1 1 1 1 1 11324 5393 1 1 1 1 7539 1 14645 6477 1 1 4782 1 1 1 1 6439 1 1 1 1 11764 1 25272 8805 16277 8738 4276 1 12130 2757 1 1 6591 14619 1 1 1 1 3426 2227 1 1 1 1 24588 1 10071 1 5747 11535 1 1 1 1 1 1 C17 H41 N12 O8 6087 1 53488 16799 41231 23200 1 1 44381 16619 32558 17295 1 1 3558 1 356687 193594 65081 15617 31336 27463 18018 4654 19342 9541 71664 24272 12081 5129 53239 8017 42045 121153 70804 12516 64902 33806 66558 19857 30986 11010 85189 56799 55398 47818 20656 7047 23537 7367 24238 57182 63426 12424 28983 13456 11921 8867 1 1 38928 11504 104162 10869 58903 13327 20909 40833 6323 1 1 1 6235 5434 379.2481@10.308604 7189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26290 18571 5737 1 1 1 20878 1 1 1 8651 1 1 1 9454 1 8045 23144 10044 1 4507 1 4052 1 1 1 8053 4543 8215 1 1 1 1 1 12626 28001 24005 1 1 1 1 1 1 1 1 1 7090 1 20688 1 4184 11099 7628 1 1 1 1 1 414.2035@10.31805 1 11128 1 1 17162 13296 1 6423 1 7196 1 10988 9744 8767 7556 1 34841 1 1 11364 9064 8405 1 1 13947 1 1 1 1 1 1 8247 22846 1 1 8157 1 10060 11937 1 1 11343 25829 17854 1 23873 14262 1 1 1 1 1 1 1 11069 1 9455 9479 1 1 16366 1 1 7868 1 1 1 1 1 3446 1 8917 6236 5816 336.2274@10.363663 26628 28313 55901 53133 54139 54278 42796 43785 67693 68205 66613 68061 45039 44742 49412 48782 54821 56668 44280 46052 59344 57446 49439 52698 52744 54550 49366 49761 61679 63212 59052 60868 50271 48081 66086 64800 47869 50127 49472 51726 53873 57632 51414 53835 64678 64092 56408 61404 84979 88217 83313 77338 62275 69656 56161 58797 54542 53725 42817 42475 58007 63889 63328 67016 67966 69288 36239 31424 61209 61105 76582 77836 58199 56588 208.1824@10.364372 22449 19248 38798 36633 41259 37762 28445 28796 47579 45575 44671 42844 28150 26583 30341 29050 52048 45819 27092 24050 32342 31811 35901 33796 39306 37318 29746 25607 36278 35650 39984 34581 29302 33996 39948 35236 28650 27387 30496 27821 37004 36685 37643 35293 45113 44604 35666 33071 53131 49797 55438 60301 44403 6402 29839 28040 30180 30210 24470 23166 38592 36583 44273 36550 51041 44457 25807 28104 42362 36954 51105 50335 40049 40862 331.2724@10.364159 91648 80941 172786 156881 175971 167656 125279 128281 215812 208075 206619 200371 125931 124359 134048 125165 239530 218096 128083 116128 159511 154879 172368 163602 194238 186814 145152 127353 183556 178672 200146 171588 147045 171342 214194 181202 147772 139175 160189 143496 193412 193233 194598 188266 236614 224693 184301 179546 278525 267332 291060 315706 226119 194905 146475 141974 151145 148639 117920 118049 189741 173244 208071 175047 237609 204249 116557 126338 188268 166587 220796 214752 172883 174939 152.1196@10.370924 1 6332 12492 11077 1 12428 8808 8499 1 13606 13911 13766 8992 8602 15500 8798 16329 14392 1 8312 10549 10115 11534 10178 17680 1 1 1 18358 10934 1 11195 9329 1 13048 10270 1 1 13701 8563 11359 11710 1 1 1 13569 4366 10962 17277 15969 1 18886 14632 4388 1 8758 3628 9236 7547 7576 12290 10902 13960 11537 1 14076 1 1 1 11758 16059 15070 12832 12432 296.2347@10.363751 1 2825 7704 6658 7203 6914 5459 5187 9077 8678 8273 7935 5271 1 5575 4486 9394 8363 5313 1 6422 6024 7129 6156 7805 7651 5651 4866 6824 6816 7231 6534 5474 6317 7873 6438 5530 5019 5927 5228 7660 6683 7248 6763 8328 8633 7450 6599 10160 9596 10703 11296 9141 7485 5448 5167 5991 5823 4739 4860 7496 6581 8136 7146 9044 8080 1 5104 8235 7169 9009 9236 7072 7487 434.289@10.376415 1 1 1 1 1 1 1 1 1 2400 2410 1 1 1 1 1 3424 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2543 1 2405 2518 1 1 1 1 2194 2037 3522 2827 1 4061 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1 1 1 1 1 1980 2111 565.315@10.408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.316@10.40181 29983 6215 11850 3507 9515 5767 1 1 9564 1 9772 1 7713 6098 11744 4761 89614 1 16346 3930 6578 5681 13213 3424 25758 10316 24673 7918 17360 1 24168 3424 11658 33142 1 5583 111192 1 14073 3763 18473 6564 79915 1 44230 37590 1 3188 11297 3805 20353 1 1 5339 6492 1 6468 4763 1 1 1 1 26061 1 1 11025 1 29638 22378 1 20777 10189 4069 3546 Buprenorphine 78231 12493 36614 9475 77349 38305 2748 1 54799 16683 54139 27076 17974 12825 25993 8565 237327 128693 93331 16861 25351 19741 77317 15111 61620 25763 64686 18717 46571 14316 87999 10671 96654 279110 132264 17671 140916 67683 63078 13899 105787 30826 161112 105849 99837 85335 72473 13877 41780 10085 107283 257390 194243 27419 54422 19933 26512 17273 1 1 47683 11865 235793 15411 122251 21731 45524 107593 59963 3271 28767 21800 14572 13182 369.2872@10.418474 35590 6966 1 1 22539 11889 2026 1 7503 1 1 1 7007 5246 5244 1 31681 17864 8974 1 1 2556 40949 8935 68904 30040 9707 1 23025 7383 30000 1 13573 35364 13986 1 9167 4426 1 2322 82711 26611 64030 41001 25250 20548 38046 8897 10555 1 27707 1 45948 6811 5052 1 21346 13519 1 1 6088 1 49280 3115 59188 10972 21533 45011 14652 1 1 3788 7130 5969 499.2693@10.422157 1 1 1 1 15527 7920 1 1 8603 1 1 1 1 1 1 1 6109 1 1 1 1 1 6292 1 1 1 1 1 1 1 1 1 1 9260 1 1 1 1 1 1 1 1 21473 13786 4092 3684 1 1 1 1 1 8189 8696 1 1 1 1 1 1 1 1 1 20527 1 5335 1 1 1 1 1 1 1 1 1 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid 327216 303559 242506 223672 290545 277261 234516 240354 276599 271042 374045 353716 294960 291095 418856 400237 541561 501291 245879 234830 255768 248325 309134 308368 304768 294349 342721 321877 581964 559867 511113 460346 236357 239604 1 344900 330190 326073 184519 176412 437056 453396 295333 295391 582060 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13982 21255 7626 21671 21398 14047 12962 6186 4778 24660 22117 1 12507 15275 15513 16782 15045 1 16946 13898 13375 1 17733 18869 17743 13960 15782 19445 16310 1 13601 1 12011 5721 6301 17268 16645 23303 6793 15225 14862 24562 23266 25659 28154 1 18713 13680 12401 15307 15497 12027 12086 18828 6683 21277 17873 24367 21660 13052 14656 20588 18513 16883 25054 19708 20968 208.1824@10.445708 41440 36096 60950 54074 10452 60740 44214 7186 71618 66739 69244 66666 45168 43517 49569 46466 79889 69485 43816 39748 49880 48930 53808 50733 58815 57201 49946 43963 58741 58233 64595 54423 45270 50038 64800 52389 46077 44973 45798 40858 57666 59007 56761 55041 71569 10379 52734 45758 79248 74402 82443 87056 95502 58517 44422 40618 49870 47903 41941 6526 60325 57525 68154 56020 79160 72455 40378 46538 66092 56840 82835 79079 61562 63003 296.2348@10.446746 6062 5229 9321 8502 10598 10074 7573 7156 11900 10929 11356 10587 7460 1 8011 7106 13594 11894 7426 6752 7938 7798 9349 8810 9653 9665 8366 7222 9385 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1 3408 1 3697 1 1 2684 1 1 1 2212 1 1 2209 1 Lys Lys Lys 9468 8781 4777 1 3741 3234 2991 2762 4604 4401 4858 4878 8928 9484 21745 21616 17120 16709 1 1 1 1 4038 3669 4319 1 1 3584 15658 14912 12015 11595 12192 12973 8434 7720 5288 1 3508 3292 11126 28194 3354 3213 18948 18938 4762 4669 11532 10410 10099 9788 27663 9900 1 1 2678 1 9870 10021 2877 1 8490 8512 1 12654 5340 6012 11948 11139 18764 19035 12234 12889 517.3163@10.4694395 69447 12135 46499 11204 61086 32505 1 1 38737 13294 31552 16486 7973 5631 15819 5219 118369 63907 68797 13657 23775 20550 27749 5356 101829 11937 59756 17494 59569 9801 65184 8270 59265 166708 98801 14610 1 50347 53617 12217 38629 11184 1 56236 64213 53511 1 5952 21632 5428 34668 82275 116390 19711 22710 8901 17066 1 1 1 31503 7392 141644 9406 77354 13783 24696 48011 63732 1 65133 15956 1 5317 2-Amino-3-methyl-1-butanol + 10.466517 1 1 5437 1 8959 5752 1 1 8028 3329 4569 1 1 1 1 1 8914 5709 6619 1 3788 3132 1 1 1 1 7021 1 2499 1 8579 1 7714 11801 9818 2179 1 6853 7224 1 6077 1 11274 8624 7070 6243 4638 1 3308 1 4807 8112 9781 2985 4580 1 3530 1 1 1 4886 1 14164 2751 7839 1 1 1 3743 1 1 1 1 1 C17 H41 N12 O8 + 10.46663 42695 8293 216876 55994 472226 246978 6313 3794 382827 124093 155698 79029 7692 5658 16332 6286 560943 9386 226983 44478 121400 101854 122545 25755 89668 40037 234320 66374 55652 18640 372777 44993 321597 867325 435598 60977 453490 219057 280635 66685 188454 54047 618215 406408 2976 211457 114493 28942 82166 21135 132223 3714 4323 75371 125348 49631 82504 58468 1 1 180106 40361 940253 73336 3740 50995 87181 171108 37864 1894 12115 9129 25364 22736 414.2038@10.483866 1 1 61779 1 1 63097 1 1 12797 1 100883 48543 20484 1 1 12538 77583 39844 164407 1 46113 1 35566 18097 69020 1 141368 50031 68703 1 35276 1 1 1 32699 16994 14476 59929 105263 13801 9608 5535 18570 13451 25754 20499 18029 11583 77777 1 31204 34544 153256 1 76060 13077 1 12151 1 1 1 1 21021 11359 1 1 1 57020 9351 1 27079 1 1 1 511.3267@10.499802 1 1 19217 1 1 1 1 1 1 1 1 1 1 1 1 1 7534 3967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4023 1 1 1 1 1 1 2968 1 1 1 1 1 1 1 1 1 1 5311 4839 1 1 1 1 1 1 1 1 1 1 1 4067 1 1 3145 1 1 1 1 1 1 PE(19:1(9Z)/0:0) 18370 3504 18610 5797 31394 16916 1 1 19423 7038 14881 8219 6159 3593 8594 2464 138209 75570 29042 6428 8358 6461 19298 4327 23546 11002 40159 12400 16553 6026 38623 5694 42224 79468 59883 6719 16440 24939 25400 6673 28508 9177 1 40004 48995 43707 28658 7769 18476 5189 38340 85702 29855 5716 20923 9039 8155 5826 1 1 19233 5043 75774 7257 43247 9409 34726 71933 16069 1 12753 5793 10709 9587 190.1719@10.513612 17938 1 1 1 54206 1 1 37752 1 1 29736 1 1 1 1 1 32850 30752 1 19140 1 1 18092 1 1 1 17120 1 1 27731 1 1 1 1 1 24515 1 16008 15403 8285 1 1 1 1 30163 58858 1 1 36114 1 1 1 1 1 1 12764 16517 1 14837 33591 20870 1 21033 1 31905 1 22278 18397 1 1 1 1 1 24204 Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate + 10.542064 99473 33758 20834 19442 119492 22783 46611 39751 67312 27172 28165 14342 34472 28016 32882 1 367967 231806 45896 45092 12619 43366 112327 33723 19123 39866 41250 12853 18171 27042 192644 30864 203880 346049 191751 29858 103095 11391 20431 31458 109459 48441 141612 108191 191647 167434 67047 31006 14437 1 128124 243676 35006 30771 12028 29210 30585 24596 13946 12739 98742 32886 129832 20311 39803 9169 26820 10362 44555 4665 15372 21121 10885 10079 472.2568@10.515957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11989 8764 7282 1 1 1 3372 1 1 1 7113 1 1 1 5012 1 9182 13701 8055 1 5838 1 5805 1 4849 1 7816 6072 7776 6465 1 1 1 1 4288 11021 7949 1 1 1 1 1 1 1 4281 1 7350 1 1 1 1 3311 1 1 1 1 1 1 150.0888@10.526319 6672 5728 1 4548 1 5975 4537 4390 5647 5444 6499 6321 1 5371 7401 6929 9033 8834 1 4472 4664 1 5435 4885 1 4773 5724 5153 9115 8498 7507 7625 1 1 1 5289 5660 5199 1 2644 6579 7054 4864 1 1 6533 4092 4100 7521 7310 8156 1 12499 6409 2871 2675 5354 5239 5215 5886 6047 5585 5788 5302 1 7559 1 4483 6166 5466 11886 11328 7175 7204 Prostaglandin D1 Alcohol 5260 4661 1 3339 1 4047 3378 3199 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1 1 1 1 1 1 1 1 1 8320 7771 1 1 1 1 9347 9155 8218 1 8814 8592 1 1 1 1 5754 1 Tubastatin A 1 3886 1 3989 9198 8496 3282 1 8829 9226 1 1 1 1 1 1 1 1 1 4177 9273 9880 7371 7465 13755 13414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11170 10327 13732 13052 1 1 5868 6227 1 5578 1 1 1 1 1 1 6915 7125 1 1 4625 4361 6913 7578 1 7463 3555 2627 1 1 1 1 1 1 262.1607@3.2035258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2029 1 1 1 1 1 1 342.1977@3.3674443 1 1 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 2030 1 1 1 2584 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1 289.1515@3.4875793 10058 10279 1 1 4934 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5788 5738 1 1 1 1 1 1 1 1 1 2535 4475 4190 5775 6009 1 1 6719 6727 1 1 1 3940 1 1 1 1 1 4311 1 1 1 1 1 4356 1 1 4563 4295 1 1868 1 1 3983 4018 297.142@3.4899223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3827 3579 1 1 1 1 2439 2329 N-Methyl-2-pyrrolidinone 1 12709 44071 41377 1 1 26299 25840 8850 8557 1 14168 1 15651 14939 1 1 1 54099 57475 41948 40015 26348 26811 44864 42435 12639 10780 1 16776 1 20737 35734 33371 22003 21277 43515 43346 71563 71449 24843 23005 1 1 37677 29025 48841 48173 24330 21974 38405 38243 1 1 40860 40014 1 1 1 1 14644 10013 12385 12287 17918 17533 14397 14656 1 5153 29958 28769 72327 72407 159.089@3.5428166 1 1 1 1 1 1 3178 3135 1 1 1 1 2194 1 1 1 1 1 5671 6688 4074 1 5846 1 9601 1 1 1 1 3495 1 1 3833 3854 1 1 1 1 9395 9351 3016 1 1 1 1 1 6690 7124 3565 3276 6668 7642 1 1 1 1 1922 2400 1 1 1 1 1 1 1 1 2095 2186 1 1 1 1 12248 13388 263.1182@3.8651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 2740 2341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 1 1 408.1794@3.907308 1 1 1 1 1 1 13045 14303 1 1 44877 46261 1 1 1 1 1 1 1 69983 1 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5697 6279 8129 1 4928 5803 8028 4041 8639 4133 10087 1 6609 Pantoic acid 3361 3510 2900 2729 2557 2528 2633 2598 2280 2575 2768 2937 2736 2760 1 3769 1 1 2384 2722 3021 2888 2683 1 2457 2437 2493 1 3180 3272 2933 2816 3832 3648 2977 3482 3102 3050 2955 2690 3467 3442 2434 1 3413 3455 2873 2609 2591 2689 2845 3020 2736 2632 2689 2395 2680 1 2941 2959 2627 2818 2618 2993 2460 2699 2877 2809 2887 3306 1 2754 2982 2990 113.0836@4.4204717 1 1 1 1 1 1 6592 1 1 21189 1 24410 1 1 1 1 1 27965 1 18099 1 1 1 18377 1 22266 27878 39283 1 30463 1 1 1 1 1 28337 1 28106 1 20519 1 20275 1 20484 1 26714 18769 16009 1 30942 1 1 1 21687 1 1 1 16723 1 1 1 1 1 18833 1 1 15209 26865 1 12902 1 1 1 1 315.0949@4.5964746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8572 1 1 1 1 1 1 194.0394@4.6284685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5376 5166 1 1 1 1 7815 6785 90.0468@4.6338663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14503 16053 1 1 1 1 20259 19981 317.1834@4.6351366 5304 4624 1 1 1 1 1 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2647 1 1 1 1 1 6002 5923 1 1 1 1 1 1 1 1 4516 1 1 1 1 1 1 2637 1 1 1 2653 1 1888 1 1 1 1 301.1158@4.636439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31474 32644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18293 17027 1 1 1 1 25269 25343 266.0788@4.6371245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4215 1 1 1 1 6526 6653 306.0708@4.6406026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11954 11517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6851 6857 1 1 1 1 9768 9687 133.0524@4.6642547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 2986 1 1 1 1 2925 3259 76.0311@4.6646547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3692 3024 1 1 1 1 3678 3692 104.0265@4.663762 1 1 1 1 5065 1 1 1 1 5271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 758943 766471 1 1 1 1 1 1 1 1 8714 9292 1 1 1 1 1 1 1 1 1 1 9206 8558 7536 8045 1 1 1 1 1 1 1 1 1 1 1 1 1024128 1016760 1 1 1 1 1104773 1095605 179.0582@4.663217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461909 452606 1 1 1 1 1 1 1 1 3799 4148 1 1 1 1 1 1 1 1 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 556626 566006 1 1 1 1 558766 545495 50.0161@4.664749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7575 7404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10974 11118 1 1 1 1 12123 11791 161.0476@4.6642494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5027 4788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6035 6014 1 1 1 1 6348 6597 49.0083@4.665061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1 1 1 1 2329 1 575.1209@4.665447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4916 4459 1 1 1 1 5413 5529 591.0942@4.665654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6892 5882 1 1 1 1 8258 7912 412.035@4.665947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2470 2900 1 1 1 1 2916 3287 175.0298@4.7157536 1 3977 1 4076 1 1 1 1 2307 1 1 1 3279 3327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4594 1 1 2267 1 3475 1 1 1 5617 5416 1 1 1 1 1 1 1 1 2767 1 7995 8287 1 1 1 1 1 1 1 1 1 1 2579 2523 1 1 7430 7149 1 1 1 1 2049 1 133.0192@4.7158084 1 3306 1 3362 3737 1 1 1 1 1 1 1 2775 1 1 1 1 1 1 1 1 1 1 1 1 1 4134 1 1 3484 1 1 1 1 2609 1 1 1 4244 4063 1 1 1 1 1 1 1 1 1 1 6330 6414 1 1 1 1 1 1 1 1 1 1 2143 1 1 1 6316 5763 1 1 1 1 1856 2085 287.1355@4.7752833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2517 1 1 1 1 1 1 292.0915@4.7763243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5196 4374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5535 5263 1 1 1 1 5012 4361 265.131@4.7955713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14951 14169 1 1 1 1 1 1 1 1 3117 3188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13501 13369 1 1 1 1 28520 29494 129.1514@4.8491187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110027 121030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9269 1 1 1 1 1 1 1 12104 1 1 1 1 1 1 266.1721@4.9704704 1 1 1 1 1 1 1 1 1 1 5824 5520 1 1 8394 7692 1 1 6037 5999 8549 8649 1 1 1 1 1 1 1 1 1 1 9437 5632 1 1 5668 1 1 1 7015 1 1 6491 1 1 7120 1 1 1 6248 1 1 1 1 1 1 1 1 1 1 1 1 6985 1 1 1 6389 5120 8118 1 1 5650 5424 546.5721@5.0376024 6201 6971 1 1 16847 17061 1 1 11887 12117 1 1 1 1 1 1 1 1 1 1 1 1 19651 20469 13891 13535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8620 8888 14705 14863 1 1 7172 7274 1 1 9239 8039 11943 12944 1 1 13160 13568 1 1 1 1 13508 15007 11172 12678 1 1953 2639 2909 3982 3639 1 1 397.1301@5.0648828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5632 5505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6468 6295 1 1 1 1 8272 9007 169.11@5.1529346 1 3253 1 2787 3849 1 1 2606 1 3753 3889 3673 2927 1 1 1 1 1 1 3506 1 1 1 1 1 1 1 4571 1 1 1 1 1 4336 3050 1 3783 1 2560 2713 1 1 2590 2243 1 1 1 2985 1 1 1 1 2539 2739 1 1 2443 2514 1 1 1 7873 4226 1 1 1 1 3792 1 1 1 1 3454 3229 411.2015@5.312094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6996 7220 1 1 1 1 9303 8822 L-Glutamic acid dibutyl ester 20504 20660 1 3631 16608 16600 9155 9493 8357 8143 1 1 9359 9007 8218 8418 1 1 1 1 1 1 19358 19267 47256 48276 3075 1 21889 20562 1 1 1 1 1 1 1 1 11022 11028 21990 20868 37459 36799 1 1 32999 33719 7205 7349 16157 16407 12316 12630 1 3251 32429 32764 2146 1792 1 3134 15305 15861 12462 12801 18803 18389 1 2269 1 1 19176 19147 242.0938@5.994655 1 1 1 3864 1 1 1 1 8550 7438 4133 3767 1 1 1 1 1 1 1 1 6897 6441 1 1 1 1 1 1 1 1 1 1 1 1 5382 1 1 1 7447 7298 1 1 1 1 1 1 1 1 1 2895 1 1 3385 1 9387 8555 1 1 1 1 1 3012 1 2425 1 1 1 2264 1 1 1 1 1 1 215.9851@6.321499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3112 1 1 1 1 3656 3814 323.0468@6.321748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 35432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1747@10.179659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.5816@18.082386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.5783@18.131014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0454@0.8061602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.2884@10.849439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 760.5789@13.676867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.7485@0.8702147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.349@12.260263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1355@1.1179472 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 688.5506@18.294365 1 1 1 1 1 1 1 1 1 1 1 1 1 24294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.071@0.8411804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1092@1.2603526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.5827@13.436362 1 1 1 1 1 7081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 823.5623@13.437349 1 1 1 1 1 4116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1877@13.2222185 1 1 1 1 1 1 1 1 1 1 1 9133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.5609@13.758476 1 1 1 1 1 1 1 1 1 1 1 3852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1253@1.2219409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0895@3.3626742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0841@1.0019691 1 1 1 8550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.1514@4.2017 1 1 1 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1087.6628@11.075197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.5457@18.174116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0703@0.90400046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.5664@13.10679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2249@12.376114 1 1 1 1 1 1 1 6037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID Alignment Value Annotations CAS Number ChEBI ID CompositeSpectrum Frequency Mass Compound Name HMP ID Ionization mode LMP ID 132.9949@0.79282135 0.79282135 (134.00209, 1183.0481) 11 132.9949 132.9949@0.79282135 + 157.9886@0.8075396 0.8075396 (158.99596, 2049.0964) 28 157.9886 157.9886@0.8075396 + 119.0156@0.8038769 0.8038769 (120.022995, 1231.2631) 21 119.0156 119.0156@0.8038769 + 109.0009@0.8081531 0.8081531 (110.00819, 1299.0117) 38 109.0009 109.0009@0.8081531 + 176.9398@0.8099576 0.8099576 (177.94724, 1192.4517) 18 176.9398 176.9398@0.8099576 + 83.9524@0.8082487 0.8082487 (84.95957, 3436.2817) 55 83.9524 83.9524@0.8082487 + 111.079@0.83428556 0.83428556 (112.08631, 1515.0275) 12 111.079 111.079@0.83428556 + 115.063@0.83447665 0.83447665 (116.07019, 1891.9423)(133.09647, 941.1387) 28 115.063 115.063@0.83447665 + 146.1051@0.84612364 0.84612364 (147.11276, 5724.9004) 31 146.1051 146.1051@0.84612364 + Piperideine 0.8367317 C06181 Piperideine [ C5 H9 N, mfg=47.61, db=47.61, overall=47.61, CAS ID=, KEGG ID=C06181, METLIN ID=63458 ] (84.08074, 2863.978) 64 83.0736 Piperideine + DL-pipecolic acid 0.83639187 C00408 DL-pipecolic acid [ C6 H11 N O2, mfg=85.99, db=85.91, overall=85.95, CAS ID=535-75-1, KEGG ID=C00408, HMP ID=HMDB00070, METLIN ID=50 ] 535-75-1 (130.08585, 3231.7437)(147.11237, 6008.5654)(148.11533, 536.46277) 67 129.0786 DL-pipecolic acid HMDB00070 + 168.0871@0.84209305 0.84209305 (169.0943, 2469.231) 45 168.0871 168.0871@0.84209305 + 157.9564@0.84936565 0.84936565 (158.96376, 4523.6665) 6 157.9564 157.9564@0.84936565 + 103.9849@0.85423785 0.85423785 (104.99219, 4293.3027) 43 103.9849 103.9849@0.85423785 + 176.0532@0.8503386 0.8503386 (177.06056, 3186.5317)(178.05988, 732.4146) 35 176.0532 176.0532@0.8503386 + Amitrole 0.8528662 C11261 Amitrole [ C2 H4 N4, db=84.79, overall=42.39, CAS ID=61-82-5, KEGG ID=C11261, METLIN ID=68946 ] 61-82-5 (191.07657, 22266.928)(192.07925, 1474.137) 52 190.0694 Amitrole + 958.956@0.8553138 0.8553138 (959.96375, 6489.0713)(960.9657, 1011.6501)(961.9631, 770.7847) 49 958.956 958.956@0.8553138 + 215.0068@0.8652332 0.8652332 (216.01404, 1849.8566) 6 215.0068 215.0068@0.8652332 + 263.8449@0.86693645 0.86693645 (264.85214, 2694.1545) 66 263.8449 263.8449@0.86693645 + C5 Cl2 N S2 0.8665673 [ C5 Cl2 N S2, mfg=37.64, overall=37.64 ] (208.89066, 3367.4568) 61 207.8834 C5 Cl2 N S2 + 439.7171@0.8670893 0.8670893 (440.72476, 1183.5347) 30 439.7171 439.7171@0.8670893 + 459.7749@0.86490196 0.86490196 (460.78235, 1109.52) 18 459.7749 459.7749@0.86490196 + 381.7594@0.8670903 0.8670903 (382.76636, 1342.5122) 48 381.7594 381.7594@0.8670903 + 391.7879@0.8664906 0.8664906 (392.79517, 1517.5277) 49 391.7879 391.7879@0.8664906 + 253.816@0.86755717 0.86755717 (254.82338, 4392.471) 70 253.816 253.816@0.86755717 + 147.9277@0.86540467 0.86540467 (148.93488, 1484.8578) 30 147.9277 147.9277@0.86540467 + 79.9413@0.8671508 0.8671508 (80.94855, 93693.0) 74 79.9413 79.9413@0.8671508 + 323.8003@0.86726624 0.86726624 (324.80777, 1374.2422) 50 323.8003 323.8003@0.86726624 + 255.8131@0.8674988 0.8674988 (256.82047, 5677.167) 70 255.8131 255.8131@0.8674988 + 333.8292@0.8658095 0.8658095 (334.83685, 1143.0792) 27 333.8292 333.8292@0.8658095 + 257.8104@0.86785424 0.86785424 (258.81772, 2602.2004) 40 257.8104 257.8104@0.86785424 + 81.9381@0.86731297 0.86731297 (82.945335, 26418.248) 74 81.9381 81.9381@0.86731297 + 139.896@0.8682025 0.8682025 (140.90326, 4064.283) 69 139.896 139.896@0.8682025 + 137.899@0.8680663 0.8680663 (138.90622, 6263.9004) 68 137.899 137.899@0.8680663 + 321.8036@0.86732626 0.86732626 (322.8107, 1150.5952) 33 321.8036 321.8036@0.86732626 + 265.8421@0.86686337 0.86686337 (266.84927, 2585.2786) 67 265.8421 265.8421@0.86686337 + 105.9434@0.8757267 0.8757267 (106.9504, 1349.4591) 10 105.9434 105.9434@0.8757267 + 157.9565@0.8809789 0.8809789 (158.9637, 2163.888) 27 157.9565 157.9565@0.8809789 + C7 H3 S 0.8807689 [ C7 H3 S, mfg=47.57, overall=47.57 ] (120.00291, 1507.5674) 61 118.9955 C7 H3 S + 225.944@0.8759723 0.8759723 (226.95125, 9305.69)(227.9485, 910.083) 33 225.944 225.944@0.8759723 + 210.1344@0.88222635 0.88222635 (211.14145, 4653.7974)(212.14424, 599.8) 19 210.1344 210.1344@0.88222635 + 239.9597@0.8790019 0.8790019 (240.96683, 2196.5774) 38 239.9597 239.9597@0.8790019 + 212.0667@0.88804585 0.88804585 (213.07468, 1298.0425) 4 212.0667 212.0667@0.88804585 + 125.0948@0.8889423 0.8889423 (126.102196, 1389.3766) 6 125.0948 125.0948@0.8889423 + 196.0935@0.88602793 0.88602793 (197.10083, 18772.898)(219.08286, 14835.159)(220.088, 1321.1315) 18 196.0935 196.0935@0.88602793 + 188.1522@0.8867515 0.8867515 (189.15933, 5497.361)(190.16241, 731.0161)(211.14139, 3729.6587)(212.1438, 478.3525) 66 188.1522 188.1522@0.8867515 + 206.0074@0.8868002 0.8868002 (207.01439, 2191.0396) 21 206.0074 206.0074@0.8868002 + C7 H5 O S2 0.8897675 [ C7 H5 O S2, mfg=92.53, overall=92.53 ] (169.9855, 9240.037)(170.98653, 498.74667)(171.98204, 626.25336) 72 168.9784 C7 H5 O S2 + 133.0114@0.8933509 0.8933509 (134.01859, 7266.9424)(135.0137, 932.68) 26 133.0114 133.0114@0.8933509 + 190.0331@0.8927638 0.8927638 (191.04022, 17273.742)(192.04321, 1419.38) 57 190.0331 190.0331@0.8927638 + C7 H13 N5 O6 S 0.8955699 [ C7 H13 N5 O6 S, mfg=95.21, overall=47.60 ] (296.0656, 11643.939)(297.06848, 1044.8323)(298.06467, 1033.2136) 26 295.0584 C7 H13 N5 O6 S + 177.0509@0.89688677 0.89688677 (178.0585, 1514.288) 27 177.0509 177.0509@0.89688677 + Naphthalic anhydride 0.90065885 C19125 Naphthalic anhydride [ C12 H6 O3, mfg=45.29, db=45.10, overall=45.19, CAS ID=81-84-5, KEGG ID=C19125, METLIN ID=72867 ] 81-84-5 (221.02019, 1624.1421) 39 220.0122 Naphthalic anhydride + 160.1204@0.8999821 0.8999821 (161.12817, 1199.9712)(183.1091, 530.26) 16 160.1204 160.1204@0.8999821 + Taurine 0.89985734 C00245 Taurine [ C2 H7 N O3 S, db=47.03, overall=23.52, CAS ID=107-35-7, KEGG ID=C00245, HMP ID=HMDB00251, METLIN ID=31 ] 107-35-7 (126.02164, 7314.775)(148.00357, 3146.861) 63 125.0143 Taurine HMDB00251 + 174.1117@0.92170054 0.92170054 (175.11896, 32689.871)(176.1174, 3748.4622)(177.12, 519.74335) 37 174.1117 174.1117@0.92170054 + 280.0878@0.90092003 0.90092003 (281.09494, 8504.012)(282.0964, 2419.86) 10 280.0878 280.0878@0.90092003 + 146.9963@0.90115607 0.90115607 (148.00359, 3203.1765) 28 146.9963 146.9963@0.90115607 + 349.0423@0.9038488 0.9038488 (350.04898, 1965.64) 4 349.0423 349.0423@0.9038488 + 240.1217@0.9015641 0.9015641 (241.12885, 5376.343)(242.1309, 1082.52)(263.11, 2770.05) 4 240.1217 240.1217@0.9015641 + 115.063@0.90258676 0.90258676 (116.07028, 1391.6655)(138.0524, 679.33) 25 115.063 115.063@0.90258676 + 257.1027@0.9048495 0.9048495 (537.19305, 1545.3285)(258.10995, 19877.527)(259.11282, 1734.0754)(260.1145, 664.11)(280.0923, 101810.38)(281.09494, 7297.3716)(282.09637, 1401.7264) 46 257.1027 257.1027@0.9048495 + 169.0845@0.903941 0.903941 (170.09152, 10842.725)(171.09343, 931.9854)(192.07375, 9960.912)(193.0777, 1108.43) 41 169.0845 169.0845@0.903941 + 123.0797@0.9053723 0.9053723 (124.08657, 1835.89) 10 123.0797 123.0797@0.9053723 + 258.1057@0.904585 0.904585 (259.1127, 1927.0375) 4 258.1057 258.1057@0.904585 + 170.0863@0.906 0.906 (171.0936, 1066.03) 1 170.0863 170.0863@0.906 + 100.0636@0.9055824 0.9055824 (101.07089, 2441.9504) 12 100.0636 100.0636@0.9055824 + 151.0248@0.9055884 0.9055884 (152.03189, 1815.955) 4 151.0248 151.0248@0.9055884 + 168.051@0.9057267 0.9057267 (169.05826, 35105.152)(170.05896, 2141.01)(151.04741, 1998.5695) 13 168.051 168.051@0.9057267 + 83.0374@0.9053257 0.9053257 (84.04472, 10133.976)(101.07082, 2444.79) 44 83.0374 83.0374@0.9053257 + 129.0425@0.9050154 0.9050154 (130.04974, 22962.803)(131.05273, 1246.3053)(147.07614, 11643.017)(148.07442, 951.255)(152.03192, 2057.2766) 70 129.0425 129.0425@0.9050154 + 146.0689@0.90509665 0.90509665 (147.07605, 12191.611)(148.0752, 1075.85)(169.0583, 39002.05) 23 146.0689 146.0689@0.90509665 + 130.0452@0.9058527 0.9058527 (131.05269, 1321.6849) 8 130.0452 130.0452@0.9058527 + 89.0479@0.90869164 0.90869164 (90.05515, 10227.507) 34 89.0479 89.0479@0.90869164 + 131.0576@0.90809834 0.90809834 (132.0648, 1692.9141)(154.04724, 947.29) 10 131.0576 131.0576@0.90809834 + C7 H10 N2 O2 S2 0.90849006 [ C7 H10 N2 O2 S2, mfg=73.10, overall=73.10 ] (219.02673, 4978.0503)(220.03084, 432.742)(221.02141, 959.24335)(241.00945, 377.72998) 66 218.0195 C7 H10 N2 O2 S2 + 119.0583@0.9100783 0.9100783 (120.06551, 2697.3833)(102.055084, 3578.2734)(142.0473, 1453.8489) 39 119.0583 119.0583@0.9100783 + 73.0532@0.91120815 0.91120815 (74.06049, 4220.4814)(56.05002, 3222.9646) 40 73.0532 73.0532@0.91120815 + 202.0461@0.91213375 0.91213375 (405.09702, 4533.749)(406.09653, 773.30835)(203.05345, 545208.0)(204.05598, 27016.156)(205.05869, 5408.787)(206.05777, 564.52936)(225.03413, 6232.0254)(226.03767, 441.44122) 73 202.0461 202.0461@0.91213375 + 383.1123@0.9125607 0.9125607 (384.11935, 39615.332)(385.12152, 9487.69) 24 383.1123 383.1123@0.9125607 + 204.0514@0.9131757 0.9131757 (205.05858, 6071.5444) 33 204.0514 204.0514@0.9131757 + C12 H20 N3 O11 0.91237944 [ C12 H20 N3 O11, mfg=93.68, overall=93.68 ] (383.117, 339511.5)(384.11923, 34488.39)(385.1215, 6976.2827)(405.0973, 4930.14)(406.09747, 787.2931) 69 382.1097 C12 H20 N3 O11 + 203.0487@0.9122133 0.9122133 (204.05603, 30228.11)(205.0581, 5949.88)(226.03784, 560.075) 28 203.0487 203.0487@0.9122133 + 384.1144@0.9134951 0.9134951 (385.12164, 7970.606) 19 384.1144 384.1144@0.9134951 + 85.0249@0.91668874 0.91668874 (86.032394, 1113.938) 5 85.0249 85.0249@0.91668874 + 98.037@0.9165087 0.9165087 (99.04406, 1553.8633)(81.03387, 1094.7822)(116.0703, 482.51) 60 98.037 98.037@0.9165087 + 114.0317@0.91577446 0.91577446 (115.03873, 940.8005)(97.02848, 2733.7815)(132.06555, 1571.9751) 52 114.0317 114.0317@0.91577446 + 163.0555@0.9168383 0.9168383 (164.06198, 1258.7438)(146.05275, 2238.1892) 23 163.0555 163.0555@0.9168383 + 126.0314@0.9164477 0.9164477 (127.03863, 9245.769)(128.04045, 681.525)(109.02822, 1099.7633) 30 126.0314 126.0314@0.9164477 + 4-Hydroxy-2-butynal 0.9157354 C02648 4-Hydroxy-2-butynal [ C4 H4 O2, mfg=86.81, db=86.80, overall=86.80, KEGG ID=C02648, METLIN ID=65806 ] (85.0288, 20530.754)(86.032104, 885.8539)(102.05506, 3203.3125) 73 84.0215 4-Hydroxy-2-butynal + 197.0891@0.9162001 0.9162001 (198.09602, 59604.008)(199.09877, 3357.7466)(200.10054, 722.326)(180.08647, 21631.963)(181.08914, 1251.81) 72 197.0891 197.0891@0.9162001 + 162.0527@0.9165244 0.9165244 (163.05981, 17982.096)(164.06201, 1196.7572)(145.04941, 40782.113)(146.05284, 2619.2666)(180.0864, 19592.465)(181.08928, 1405.3304)(182.08546, 461.88) 74 162.0527 162.0527@0.9165244 + 198.092@0.9166442 0.9166442 (199.09885, 3657.2231)(200.1012, 775.71)(181.08934, 1458.3127) 34 198.092 198.092@0.9166442 + 406.0696@0.917581 0.917581 (407.0771, 1850.7051) 2 406.0696 406.0696@0.917581 + 72.0214@0.9149116 0.9149116 (162.07607, 791.1161)(73.02888, 2036.5398)(55.02045, 716.82513)(90.05509, 10575.223) 28 72.0214 72.0214@0.9149116 + 90.0322@0.9167948 0.9167948 (91.03944, 3744.7732)(73.02894, 1938.3462) 74 90.0322 90.0322@0.9167948 + 145.0451@0.91677904 0.91677904 (146.05281, 2389.432)(128.04068, 709.225) 17 145.0451 145.0451@0.91677904 + 86.0373@0.91687316 0.91687316 (87.044334, 4887.0435)(88.0462, 341.31)(69.03438, 2948.5547)(104.07076, 2135.8665)(109.02816, 1044.3757) 73 86.0373 86.0373@0.91687316 + 262.0013@0.9194617 0.9194617 (263.0085, 1998.7588) 27 262.0013 262.0013@0.9194617 + 440.0667@0.91778946 0.91778946 (441.074, 5480.3447)(442.0768, 714.3495)(443.0711, 1818.3822) 72 440.0667 440.0667@0.91778946 + 442.064@0.9165426 0.9165426 (443.07108, 1902.3552) 32 442.064 442.064@0.9165426 + 404.0899@0.9176449 0.9176449 (405.09735, 5042.95)(406.09665, 790.82715) 39 404.0899 404.0899@0.9176449 + 158.0688@0.9197411 0.9197411 (159.07607, 3200.2698) 28 158.0688 158.0688@0.9197411 + 103.0636@0.9206686 0.9206686 (104.07093, 1981.9258) 7 103.0636 103.0636@0.9206686 + 228.0415@0.92029494 0.92029494 (229.04869, 4873.5576) 14 228.0415 228.0415@0.92029494 + 245.0555@0.9228433 0.9228433 (246.06313, 1082.2422)(228.05238, 1372.7816) 9 245.0555 245.0555@0.9228433 + 246.0519@0.9225015 0.9225015 (247.05933, 3591.6255)(229.04884, 4915.912) 66 246.0519 246.0519@0.9225015 + 290.1519@0.92750984 0.92750984 (291.15933, 1227.6599) 7 290.1519 290.1519@0.92750984 + 291.1488@0.92774886 0.92774886 (292.1561, 4914.7666)(293.1593, 636.6313) 55 291.1488 291.1488@0.92774886 + 240.0952@0.930971 0.930971 (241.10384, 1105.5483)(223.09279, 1364.0563)(263.0835, 2898.054)(264.08627, 375.16333) 39 240.0952 240.0952@0.930971 + C3 H7 N 0.9321115 [ C3 H7 N, mfg=42.96, overall=42.96 ] (58.065872, 9331.949) 62 57.0586 C3 H7 N + 262.0761@0.9309246 0.9309246 (263.08347, 2946.7659)(264.08447, 435.54) 27 262.0761 262.0761@0.9309246 + 2-Amino-3-methyl-1-butanol 0.93268967 2-Amino-3-methyl-1-butanol [ C5 H13 N O, mfg=97.01, db=97.00, overall=97.01, CAS ID=473-75-6, METLIN ID=44703 ] 473-75-6 (104.10752, 468943.5)(105.11025, 20346.295)(106.11191, 1170.3372) 74 103.1003 2-Amino-3-methyl-1-butanol + 105.1047@0.9332012 0.9332012 (106.111885, 1203.3337) 14 105.1047 105.1047@0.9332012 + C10 H13 N 0.9354695 [ C10 H13 N, mfg=65.56, overall=65.56 ] (148.11374, 12808.117)(149.1168, 766.265) 72 147.1066 C10 H13 N + 220.1783@0.93768173 0.93768173 (221.1856, 2921.8518)(222.18864, 505.05997) 17 220.1783 220.1783@0.93768173 + L-Valine 0.93732774 C00183 L-Valine [ C5 H11 N O2, mfg=98.75, db=97.32, overall=98.03, CAS ID=72-18-4, KEGG ID=C00183, HMP ID=HMDB00883, METLIN ID=35 ] 72-18-4 (235.16486, 2902.7004)(257.1471, 22245.34)(258.1482, 2410.39)(118.08677, 252391.53)(119.08926, 11239.505)(120.0901, 1061.0701)(140.06833, 94196.35)(141.07108, 4049.3525)(142.07076, 444.44666) 73 117.0794 L-Valine HMDB00883 + 118.0819@0.93774706 0.93774706 (119.08928, 10193.362)(120.089645, 692.66504) 23 118.0819 118.0819@0.93774706 + 60.0335@0.9405561 0.9405561 (61.040806, 563977.7)(62.042015, 6856.1626)(63.044277, 593.805)(83.02193, 19028.402) 74 60.0335 60.0335@0.9405561 + 61.0347@0.9411113 0.9411113 (62.041992, 7998.47)(63.044403, 1164.0884) 24 61.0347 61.0347@0.9411113 + Urea 0.9478241 C00086 Urea [ C H4 N2 O, db=46.64, overall=46.64, CAS ID=57-13-6, KEGG ID=C00086, HMP ID=HMDB00294, METLIN ID=6 ] 57-13-6 (83.02192, 17807.355) 59 82.0146 Urea HMDB00294 + 256.1395@0.94811654 0.94811654 (257.14682, 14730.797)(258.14868, 1856.0839)(259.1515, 488.12) 53 256.1395 256.1395@0.94811654 + 155.0348@0.95512724 0.95512724 (156.0419, 4077.1614)(157.0444, 369.88)(158.0402, 480.41) 54 155.0348 155.0348@0.95512724 + 278.1837@0.9605034 0.9605034 (279.1908, 1340.584)(301.173, 3325.3132)(302.17636, 598.025) 20 278.1837 278.1837@0.9605034 + 158.0438@0.9598 0.9598 (159.05147, 1555.8667)(181.03267, 1652.6843) 15 158.0438 158.0438@0.9598 + 180.0255@0.9595322 0.9595322 (181.03261, 1929.8759) 46 180.0255 180.0255@0.9595322 + 136.0629@0.9609361 0.9609361 (137.07043, 4491.747)(138.0729, 522.005)(159.05145, 1556.6377) 34 136.0629 136.0629@0.9609361 + 115.039@0.9666386 0.9666386 (116.04624, 1879.2233) 12 115.039 115.039@0.9666386 + C7 H15 N O3 0.96714216 [ C7 H15 N O3, mfg=99.16, overall=99.16 ] (323.217, 716.66144)(345.1993, 868.737)(162.11313, 561699.6)(163.1156, 35099.734)(164.11714, 3273.6934)(184.09424, 38676.58)(185.09726, 2703.4744)(186.0975, 429.16) 74 161.1058 C7 H15 N O3 + 163.1098@0.9677999 0.9677999 (164.11707, 3407.2053) 31 163.1098 163.1098@0.9677999 + 101.0838@0.96781766 0.96781766 (102.09118, 1305.6483) 37 101.0838 101.0838@0.96781766 + Acetoacetic acid 0.96769637 C00164 Acetoacetic acid [ C4 H6 O3, mfg=47.61, db=48.79, overall=48.20, CAS ID=541-50-4, Lipid ID=LMFA01060003, KEGG ID=C00164, HMP ID=HMDB00060, METLIN ID=276 ] 541-50-4 (103.03893, 3116.2988)(125.02058, 5554.2275)(126.02204, 1764.2079) 69 102.0315 Acetoacetic acid HMDB00060 + LMFA01060003 231.1082@0.97 0.97 (232.1154, 1020.75) 1 231.1082 231.1082@0.97 + 124.0133@0.969074 0.969074 (125.02062, 5763.928) 27 124.0133 124.0133@0.969074 + 183.0871@0.9696277 0.9696277 (184.09427, 39016.805)(185.09749, 2523.5486)(186.0986, 457.36) 36 183.0871 183.0871@0.9696277 + 184.0899@0.96984404 0.96984404 (185.09723, 2779.387) 23 184.0899 184.0899@0.96984404 + Isowillardiine 0.9697428 C08289 Isowillardiine [ C7 H9 N3 O4, mfg=39.51, db=39.49, overall=39.50, CAS ID=21381-33-9, KEGG ID=C08289, METLIN ID=66887 ] 21381-33-9 (200.06793, 3051.5388) 44 199.0606 Isowillardiine + 129.0786@0.97660166 0.97660166 (130.08559, 1370.4951) 12 129.0786 129.0786@0.97660166 + 76.0719@0.9854257 0.9854257 (77.07893, 1420.1167) 3 76.0719 76.0719@0.9854257 + 214.0623@0.986273 0.986273 (215.06982, 1576.676)(237.05139, 620.645) 5 214.0623 214.0623@0.986273 + 270.1305@0.9867876 0.9867876 (271.13718, 2017.6791) 28 270.1305 270.1305@0.9867876 + 2-Aminopropanol 0.98570514 2-Aminopropanol [ C3 H9 N O, mfg=85.65, db=85.64, overall=85.65, CAS ID=6168-72-5, METLIN ID=3218 ] 6168-72-5 (151.14383, 3273.32)(76.07618, 27240.344)(77.07909, 1312.802)(58.065807, 8743.166)(98.057945, 979.2892) 67 75.0689 2-Aminopropanol + 97.0512@0.9860449 0.9860449 (98.058014, 1320.6937) 8 97.0512 97.0512@0.9860449 + 175.0328@0.98936164 0.98936164 (176.04001, 3465.8005) 62 175.0328 175.0328@0.98936164 + Alanine 0.98917526 C01401 Alanine [ C3 H7 N O2, mfg=81.68, db=81.68, overall=81.68, CAS ID=302-72-7, KEGG ID=C01401, METLIN ID=63614 ] 302-72-7 (90.055115, 11226.06)(91.054596, 559.5814)(112.03802, 657.2049) 72 89.0479 Alanine + 154.0539@0.9917447 0.9917447 (155.06088, 1756.9755) 24 154.0539 154.0539@0.9917447 + 132.0716@0.99051315 0.99051315 (133.07907, 6904.5005)(155.0607, 1725.0) 31 132.0716 132.0716@0.99051315 + 131.0697@0.98999804 0.98999804 (263.14633, 3918.2332)(264.14804, 803.26)(285.12793, 11480.034)(286.13016, 1331.5819)(132.07704, 175023.38)(133.07912, 7236.3984)(134.081, 801.04443)(154.05858, 35390.016)(155.06085, 1715.4188)(156.07007, 436.05334) 74 131.0697 131.0697@0.98999804 + 169.0248@0.9914205 0.9914205 (170.03226, 2015.0219)(192.0152, 676.25) 58 169.0248 169.0248@0.9914205 + 153.0512@0.9911565 0.9911565 (307.10904, 762.67)(154.05855, 36101.582)(155.06084, 1698.1775)(176.03964, 3368.885) 38 153.0512 153.0512@0.9911565 + C15 H22 N S 0.9892869 [ C15 H22 N S, mfg=77.28, overall=77.28 ] (249.15492, 2657.7136)(250.15834, 480.72836)(271.13733, 2310.1416)(272.13992, 449.1367) 58 248.1478 C15 H22 N S + 266.1099@1.0022967 1.0022967 (267.11725, 3027.7458) 14 266.1099 266.1099@1.0022967 + C4 H7 N 1.0075618 [ C4 H7 N, mfg=84.95, overall=84.95 ] (70.06574, 41351.38)(71.06867, 1771.8044) 73 69.0584 C4 H7 N + 115.0632@1.0077173 1.0077173 (116.0705, 55463.26)(117.07333, 3053.7664)(138.05232, 6273.346)(139.0566, 543.84) 46 115.0632 115.0632@1.0077173 + 70.0613@1.0081239 1.0081239 (71.068634, 1999.925) 26 70.0613 70.0613@1.0081239 + 116.0662@1.0081497 1.0081497 (117.07346, 3039.5696) 23 116.0662 116.0662@1.0081497 + 135.0407@1.0071685 1.0071685 (136.04796, 38321.883)(137.05156, 1533.426)(138.05325, 8217.87)(139.0579, 523.25) 45 135.0407 135.0407@1.0071685 + 114.0611@1.0101486 1.0101486 (115.068016, 3510.3489)(137.05122, 2134.9797) 10 114.0611 114.0611@1.0101486 + Creatinine 1.0088667 C00791 Creatinine [ C4 H7 N3 O, mfg=71.34, db=70.30, overall=70.82, CAS ID=60-27-5, KEGG ID=C00791, HMP ID=HMDB00562, METLIN ID=8 ] 60-27-5 (227.12369, 587.08997)(249.10655, 2724.8027)(250.1097, 527.74)(114.06622, 62004.445)(115.06702, 2898.925)(116.07052, 52039.285)(117.07341, 2673.634)(136.04797, 41660.0)(137.05199, 1951.1385)(138.05284, 14899.526)(139.05627, 845.74335) 74 113.0589 Creatinine HMDB00562 + 136.044@1.0099989 1.0099989 (137.0516, 2062.5925) 12 136.044 136.044@1.0099989 + 151.0141@1.0114502 1.0114502 (152.02174, 1345.0249) 26 151.0141 151.0141@1.0114502 + Thr Ser Ser 1.0145044 Thr Ser Ser [ C10 H19 N3 O7, mfg=46.88, db=75.33, overall=61.10, METLIN ID=23180 ] (316.11105, 3859.7717)(317.11368, 552.27313)(318.11536, 584.1908) 66 315.1035 Thr Ser Ser + 209.0715@1.0235425 1.0235425 (210.0789, 1148.325) 2 209.0715 209.0715@1.0235425 + 1,5-Anhydrosorbitol 1.0283113 C07326 1,5-Anhydrosorbitol [ C6 H12 O5, mfg=46.87, db=85.45, overall=66.16, CAS ID=154-58-5, KEGG ID=C07326, HMP ID=HMDB02712, METLIN ID=3775 ] 154-58-5 (187.05731, 7567.5806)(188.06052, 636.6469) 72 186.0499 1,5-Anhydrosorbitol HMDB02712 + 131.9793@1.0307194 1.0307194 (132.98672, 3080.2827) 51 131.9793 131.9793@1.0307194 + C4 H8 N5 O 1.0329583 [ C4 H8 N5 O, mfg=47.60, overall=23.80 ] (143.08022, 5951.8228)(165.06331, 1417.4406) 51 142.0735 C4 H8 N5 O + 382.1079@1.037903 1.037903 (383.11523, 4027.589)(384.11853, 638.0766) 38 382.1079 382.1079@1.037903 + N-n-Hexanoylglycine methyl ester 1.0380604 N-n-Hexanoylglycine methyl ester [ C9 H17 N O3, db=59.27, overall=59.27, HMP ID=HMDB00836, METLIN ID=5799 ] (188.12747, 1874.0448)(189.13135, 516.42) 52 187.1201 N-n-Hexanoylglycine methyl ester HMDB00836 + 251.0698@1.0392478 1.0392478 (252.07736, 2467.0422) 9 251.0698 251.0698@1.0392478 + 146.1091@0.992697 0.992697 (147.11824, 3002.0503) 45 146.1091 146.1091@0.992697 + Heptanoic acid, 2-amino-, (R)-; (R)-2-Aminoheptanoic acid 1.04263 Heptanoic acid, 2-amino-, (R)-; (R)-2-Aminoheptanoic acid [ C7 H15 N O2, mfg=88.54, db=88.53, overall=88.54, Lipid ID=LMFA01100013, METLIN ID=74866 ] (146.11722, 33153.137)(147.11969, 2665.6965)(148.11375, 1097.475) 74 145.11 Heptanoic acid, 2-amino-, (R)-; (R)-2-Aminoheptanoic acid + LMFA01100013 229.088@1.0416846 1.0416846 (230.0952, 2571.8542)(231.09692, 616.8025)(252.0771, 2204.1833)(253.0808, 623.74) 47 229.088 229.088@1.0416846 + 82.0144@1.060079 1.060079 (83.02174, 4240.651) 41 82.0144 82.0144@1.060079 + L-Pipecolic acid 1.055295 C00408 L-Pipecolic acid [ C6 H11 N O2, mfg=74.24, db=74.22, overall=74.23, CAS ID=3105-95-1, KEGG ID=C00408, METLIN ID=63100 ] 3105-95-1 (130.08575, 3056.3909)(131.08923, 421.39) 55 129.0784 L-Pipecolic acid + 165.076@1.0592684 1.0592684 (166.08333, 3006.1433) 21 165.076 165.076@1.0592684 + 1-Aminocyclohexanecarboxylic acid 1.0611482 1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, mfg=86.73, db=86.72, overall=86.72, CAS ID=2756-85-6, HMP ID=HMDB02279, METLIN ID=6589 ] 2756-85-6 (144.10155, 26467.844)(145.10449, 1913.0072)(166.08347, 2461.4832)(167.0862, 419.38) 49 143.0943 1-Aminocyclohexanecarboxylic acid HMDB02279 + ADMA 1.0736225 C03626 ADMA [ C8 H18 N4 O2, mfg=86.83, db=86.82, overall=86.82, CAS ID=30344-00-4, KEGG ID=C03626, HMP ID=HMDB03334, METLIN ID=6891 ] 30344-00-4 (203.14986, 18657.467)(204.15228, 1807.1705)(225.13156, 761.44) 74 202.1426 ADMA HMDB03334 + 203.1449@1.0750006 1.0750006 (204.15216, 1645.2433) 12 203.1449 203.1449@1.0750006 + 196.0823@1.0847179 1.0847179 (197.08911, 1297.1257) 7 196.0823 196.0823@1.0847179 + 131.0694@1.0984086 1.0984086 (132.07664, 16517.96)(133.08022, 973.2486)(114.0661, 3475.225)(154.058, 1105.775) 30 131.0694 131.0694@1.0984086 + Niacin (Nicotinic acid) 1.097304 C00253 Niacin (Nicotinic acid) [ C6 H5 N O2, db=57.87, overall=28.93, CAS ID=59-67-6, KEGG ID=C00253, METLIN ID=240 ] 59-67-6 (141.06561, 2248.1772)(142.0699, 507.22)(123.05375, 370.925) 41 140.0582 Niacin (Nicotinic acid) + 94.0529@1.0972483 1.0972483 (95.0602, 1628.6447) 19 94.0529 94.0529@1.0972483 + C6 H13 N O 1.1179427 [ C6 H13 N O, mfg=62.26, overall=62.26 ] (116.105995, 3377.0837)(117.1099, 572.145)(98.096085, 738.51794) 50 115.0989 C6 H13 N O + (S)-ATPA 1.1289841 C13733 (S)-ATPA [ C10 H16 N2 O4, mfg=61.57, db=61.52, overall=61.55, KEGG ID=C13733, METLIN ID=69667 ] (229.11766, 2232.3667)(230.1184, 464.53003) 39 228.1104 (S)-ATPA + 2-(6''-Methylthio)hexylmalic acid 1.1439302 C17226 2-(6''-Methylthio)hexylmalic acid [ C11 H20 O5 S, mfg=81.89, db=81.85, overall=81.87, CAS ID=, KEGG ID=C17226, METLIN ID=64505 ] (265.11105, 3797.0964)(266.11258, 701.3008)(267.11066, 504.01) 56 264.1037 2-(6''-Methylthio)hexylmalic acid + 176.0318@1.1701272 1.1701272 (177.03923, 3047.2144) 7 176.0318 176.0318@1.1701272 + C6 H13 N O + 1.1929309 1.1929309 [ C6 H13 N O, mfg=46.62, overall=46.62 ] (116.10619, 2585.4397)(98.096054, 743.8626) 43 115.099 C6 H13 N O + 1.1929309 + 202.0444@1.228891 1.228891 (203.05171, 2131.941) 14 202.0444 202.0444@1.228891 + 139.0606@1.2354457 1.2354457 (140.06786, 5082.9653)(141.0714, 511.14) 13 139.0606 139.0606@1.2354457 + 72.0771@1.2361106 1.2361106 (73.0843, 8957.567) 27 72.0771 72.0771@1.2361106 + 71.0743@1.2395236 1.2395236 (72.081535, 226812.4)(73.08421, 6464.93) 30 71.0743 71.0743@1.2395236 + C3 H6 N 1.2356511 [ C3 H6 N, mfg=44.74, overall=44.74 ] (57.05788, 4148.367) 55 56.0506 C3 H6 N + L-Valine + 1.2355758 1.2355758 C00183 L-Valine [ C5 H11 N O2, mfg=99.40, db=99.40, overall=99.40, CAS ID=72-18-4, KEGG ID=C00183, HMP ID=HMDB00883, METLIN ID=35 ] 72-18-4 (257.1469, 581.99243)(118.08634, 83318.17)(119.08902, 4080.731)(120.09093, 519.18146)(140.06787, 5335.4077)(141.07155, 479.27835) 72 117.079 L-Valine + 1.2355758 HMDB00883 + 54.0477@1.2353735 1.2353735 (55.05487, 10795.448)(56.051197, 1508.2621)(72.08158, 245675.62)(73.084305, 8567.604) 70 54.0477 54.0477@1.2353735 + 118.0818@1.2358083 1.2358083 (119.08904, 4162.408) 28 118.0818 118.0818@1.2358083 + 75.0324@1.2603806 1.2603806 (76.03957, 5304.2114) 24 75.0324 75.0324@1.2603806 + 188.079@1.2611427 1.2611427 (189.08504, 1355.1599)(211.0688, 2146.7676) 9 188.079 188.079@1.2611427 + 210.061@1.2632786 1.2632786 (211.06844, 2665.9587)(212.0712, 613.98) 8 210.061 210.061@1.2632786 + 132.053@1.2649089 1.2649089 (265.11035, 456.46002)(287.0943, 540.80005)(133.06097, 2008.7983)(115.04972, 2572.9958)(155.04227, 5694.446)(156.0449, 502.7867) 22 132.053 132.053@1.2649089 + 89.0476@1.2660881 1.2660881 (90.05499, 1636.9668)(72.04479, 590.81) 24 89.0476 89.0476@1.2660881 + 72.0323@1.2680589 1.2680589 (73.0397, 1521.35) 2 72.0323 72.0323@1.2680589 + 154.0349@1.2662939 1.2662939 (155.0423, 4694.748) 9 154.0349 154.0349@1.2662939 + 117.1153@1.2703575 1.2703575 (118.12256, 117201.016)(119.12539, 5981.5977)(120.1272, 465.35498) 72 117.1153 117.1153@1.2703575 + 162.0522@1.2673365 1.2673365 (163.05986, 894.26996)(145.04895, 1284.5557)(180.08577, 466.742) 9 162.0522 162.0522@1.2673365 + 188.1157@1.2766771 1.2766771 (189.12268, 1967.8063)(190.1246, 477.58398) 23 188.1157 188.1157@1.2766771 + 160.1288@1.3020326 1.3020326 (161.13611, 14299.172) 7 160.1288 160.1288@1.3020326 + 159.1261@1.3045173 1.3045173 (160.13327, 187671.23)(161.13599, 12961.599)(162.13245, 1860.3201) 43 159.1261 159.1261@1.3045173 + N4-Acetylaminobutanal 1.3036062 C05936 N4-Acetylaminobutanal [ C6 H11 N O2, mfg=77.61, db=77.60, overall=77.61, KEGG ID=C05936, HMP ID=HMDB04226, METLIN ID=58230 ] (130.08575, 7787.132)(131.08856, 658.9694)(132.08632, 545.41394) 72 129.0784 N4-Acetylaminobutanal HMDB04226 + Piperideine + 1.3051474 1.3051474 C06181 Piperideine [ C5 H9 N, mfg=47.32, db=47.32, overall=47.32, CAS ID=, KEGG ID=C06181, METLIN ID=63458 ] (84.08058, 2630.366) 70 83.0734 Piperideine + 1.3051474 + 243.085@1.3061459 1.3061459 (487.17715, 4269.82)(488.1795, 1201.95)(244.09221, 4127.6675)(245.09375, 813.675)(266.0743, 1076.28) 13 243.085 243.085@1.3061459 + 111.043@1.3154609 1.3154609 (112.05027, 7939.6978)(113.04781, 536.67145) 63 111.043 111.043@1.3154609 + Uric acid 1.312818 C00366 Uric acid [ C5 H4 N4 O3, mfg=86.71, db=86.71, overall=86.71, CAS ID=69-93-2, KEGG ID=C00366, HMP ID=HMDB00289, METLIN ID=88 ] 69-93-2 (169.03519, 12342.129)(170.03766, 815.65063) 39 168.0281 Uric acid HMDB00289 + 138.0427@1.3181629 1.3181629 (139.04987, 5312.1943)(140.05305, 580.62555) 56 138.0427 138.0427@1.3181629 + Tranexamic acid 1.3197683 C12535 Tranexamic acid [ C8 H15 N O2, mfg=84.57, db=84.56, overall=84.56, CAS ID=1197-18-8, KEGG ID=C12535, METLIN ID=2893 ] 1197-18-8 (158.11713, 5402.892)(159.12013, 634.0154) 49 157.1099 Tranexamic acid + 279.1312@1.3206835 1.3206835 (280.13834, 6339.0913)(281.1417, 915.19196)(282.1299, 455.2)(262.12787, 1564.5812) 32 279.1312 279.1312@1.3206835 + 4-heptynoic acid 1.3236178 4-heptynoic acid [ C7 H10 O2, db=45.99, overall=22.99, METLIN ID=35143 ] (144.1014, 1426.839) 56 143.094 4-heptynoic acid + 150.0535@1.3267888 1.3267888 (151.0608, 1980.6031) 6 150.0535 150.0535@1.3267888 + 60.0041@1.3266869 1.3266869 (61.011497, 5914.3975) 14 60.0041 60.0041@1.3266869 + 4-Oxoproline 1.3279362 C01877 4-Oxoproline [ C5 H7 N O3, mfg=84.67, db=84.66, overall=84.67, CAS ID=, KEGG ID=C01877, METLIN ID=63471 ] (130.04959, 5689.2188)(131.05234, 484.82) 33 129.0423 4-Oxoproline + C4 H9 N S 1.3263168 [ C4 H9 N S, mfg=99.84, overall=99.84 ] (104.05284, 18058.314)(105.05492, 1017.85614)(106.04866, 833.9457) 49 103.0456 C4 H9 N S + 149.0508@1.3639476 1.3639476 (150.05792, 21282.94) 16 149.0508 149.0508@1.3639476 + 204.119@1.3262773 1.3262773 (205.1263, 64982.117)(206.12773, 6499.4507) 19 204.119 204.119@1.3262773 + 2-Methyleneglutarate 1.3262916 C02930 2-Methyleneglutarate [ C6 H8 O4, mfg=86.36, db=86.36, overall=86.36, CAS ID=, KEGG ID=C02930, METLIN ID=63876 ] (145.04921, 7674.6494)(146.05293, 609.4884) 55 144.0418 2-Methyleneglutarate + 2(5H)-Furanone 1.326162 C17601 2(5H)-Furanone [ C4 H4 O2, mfg=86.96, db=86.95, overall=86.95, CAS ID=497-23-4, KEGG ID=C17601, METLIN ID=71806 ] 497-23-4 (85.02875, 12073.528)(86.03221, 595.8987)(102.054825, 3155.2244) 64 84.0213 2(5H)-Furanone + L-Glutamic acid n-butyl ester 1.3262129 L-Glutamic acid n-butyl ester [ C9 H17 N O4, mfg=97.37, db=97.37, overall=97.37, CAS ID=152726-66-4, METLIN ID=3544 ] 152726-66-4 (407.23773, 3577.712)(408.24072, 1199.7283)(204.12361, 761802.44)(205.12631, 67291.56)(206.12782, 6682.857)(207.13046, 505.9541)(226.1023, 442.51) 62 203.1165 L-Glutamic acid n-butyl ester + 136.038@1.3270185 1.3270185 (137.04533, 7870.8193)(138.04836, 1098.87)(139.05, 5973.64)(140.0538, 426.11) 8 136.038 136.038@1.3270185 + C3 H5 N 1.325845 [ C3 H5 N, mfg=74.76, overall=74.76 ] (56.050037, 5740.5293)(57.054115, 455.6957) 46 55.0428 C3 H5 N + 132.0243@1.3364139 1.3364139 (133.0316, 10194.334)(134.03471, 719.70123)(135.02826, 694.0309)(150.05801, 21860.121)(151.0609, 1556.601)(152.05458, 1011.1447) 58 132.0243 132.0243@1.3364139 + 101.0476@1.3262455 1.3262455 (102.05482, 4437.541)(84.044716, 2333.785) 26 101.0476 101.0476@1.3262455 + 205.1206@1.3269323 1.3269323 (206.12784, 6309.1865) 20 205.1206 205.1206@1.3269323 + 233.9822@1.3293024 1.3293024 (234.98941, 1158.0764) 22 233.9822 233.9822@1.3293024 + 204.0209@1.3289297 1.3289297 (205.02803, 1642.05) 5 204.0209 204.0209@1.3289297 + Caproic acid 1.331534 C01585 Caproic acid [ C6 H12 O2, db=46.77, overall=23.38, CAS ID=142-62-1, Lipid ID=LMFA01010006, KEGG ID=C01585, METLIN ID=111 ] 142-62-1 (134.1172, 2799.8247) 52 133.1098 Caproic acid + LMFA01010006 191.1516@1.330807 1.330807 (192.15877, 2301.8215)(193.1615, 649.36) 35 191.1516 191.1516@1.330807 + 201.1106@1.349437 1.349437 (202.11797, 2109.2336)(203.12491, 506.57) 69 201.1106 201.1106@1.349437 + 135.0676@1.4137503 1.4137503 (136.07483, 2543.677)(137.07718, 430.97003) 61 135.0676 135.0676@1.4137503 + 181.0733@1.4166799 1.4166799 (182.08061, 5509.436)(183.084, 560.025)(204.06296, 539.18) 29 181.0733 181.0733@1.4166799 + 164.0468@1.4141811 1.4141811 (165.0541, 2633.1274)(166.05716, 492.98804)(182.0806, 5499.5356)(183.08414, 634.8256) 69 164.0468 164.0468@1.4141811 + 103.0457@1.4769758 1.4769758 (104.05291, 1855.6273) 27 103.0457 103.0457@1.4769758 + 205.1203@1.5173945 1.5173945 (206.12804, 1562.3129) 11 205.1203 205.1203@1.5173945 + 84.0214@1.5168366 1.5168366 (85.028786, 2684.7761) 21 84.0214 84.0214@1.5168366 + 204.1185@1.512047 1.512047 (205.1258, 9022.627)(206.12804, 947.37744) 13 204.1185 204.1185@1.512047 + L-Glutamic acid n-butyl ester + 1.51668 1.51668 L-Glutamic acid n-butyl ester [ C9 H17 N O4, mfg=98.11, db=98.11, overall=98.11, CAS ID=152726-66-4, METLIN ID=3544 ] 152726-66-4 (204.1231, 133464.6)(205.1258, 11080.011)(206.12778, 1443.8464) 64 203.1157 L-Glutamic acid n-butyl ester + 1.51668 + 111.0426@1.5633279 1.5633279 (112.05001, 1513.142)(94.0397, 410.36) 36 111.0426 111.0426@1.5633279 + Phenacylamine 1.5968683 Phenacylamine [ C8 H9 N O, mfg=59.20, db=59.18, overall=59.19, CAS ID=5468-37-1, METLIN ID=44663 ] 5468-37-1 (136.07492, 3112.1313)(137.07762, 708.48663) 72 135.0676 Phenacylamine + Phenylpyruvic acid 1.5971736 C00166 Phenylpyruvic acid [ C9 H8 O3, mfg=90.55, db=90.46, overall=90.50, CAS ID=156-06-9, KEGG ID=C00166, HMP ID=HMDB00205, METLIN ID=328 ] 156-06-9 (165.0541, 3503.5337)(166.06352, 711.97125)(182.08061, 7848.2627)(183.08403, 915.1198)(184.0864, 481.02) 71 164.0468 Phenylpyruvic acid HMDB00205 + 191.1512@1.5630822 1.5630822 (192.15877, 3171.8633)(193.1608, 482.42) 3 191.1512 191.1512@1.5630822 + Barbital 1.5800242 Barbital [ C8 H12 N2 O3, mfg=45.50, db=62.97, overall=54.23, CAS ID=57-44-3, METLIN ID=492 ] 57-44-3 (202.11795, 2401.83)(203.12274, 485.74667) 61 201.1104 Barbital + 181.0734@1.5991387 1.5991387 (182.08069, 7141.551)(183.084, 849.87)(204.062, 518.57) 24 181.0734 181.0734@1.5991387 + 133.1095@1.5744096 1.5744096 (134.11697, 2237.1565) 25 133.1095 133.1095@1.5744096 + 85.053@1.5724521 1.5724521 (86.06003, 1646.4365) 34 85.053 85.053@1.5724521 + 142.1098@1.5912522 1.5912522 (143.11716, 1609.2257) 7 142.1098 142.1098@1.5912522 + C5 H9 N4 1.5817155 [ C5 H9 N4, mfg=45.53, overall=45.53 ] (126.09059, 1811.5808)(143.11714, 1669.885) 26 125.0836 C5 H9 N4 + Prometon 1.5912669 C14186 Prometon [ C10 H19 N5 O, mfg=47.12, db=74.63, overall=60.88, CAS ID=1610-18-0, KEGG ID=C14186, METLIN ID=44586 ] 1610-18-0 (248.14853, 3629.658)(249.15161, 733.2778) 53 247.1414 Prometon + 85.0893@1.7924392 1.7924392 (86.09655, 19487.148)(87.09942, 969.54565) 40 85.0893 85.0893@1.7924392 + 86.0922@1.7814497 1.7814497 (87.09961, 1670.5215) 7 86.0922 86.0922@1.7814497 + L-Leucine 1.7926453 C00123 L-Leucine [ C6 H13 N O2, mfg=85.07, db=85.06, overall=85.07, CAS ID=61-90-5, KEGG ID=C00123, HMP ID=HMDB00687, METLIN ID=24 ] 61-90-5 (132.10143, 10350.824)(133.10367, 769.63)(154.0833, 527.9186) 62 131.0941 L-Leucine HMDB00687 + 132.0964@1.705 1.705 (133.1037, 1255.1) 1 132.0964 132.0964@1.705 + Prometon + 1.7550333 1.7550333 C14186 Prometon [ C10 H19 N5 O, mfg=47.17, db=73.11, overall=60.14, CAS ID=1610-18-0, KEGG ID=C14186, METLIN ID=44586 ] 1610-18-0 (248.14851, 3500.8071)(249.15186, 720.2758) 49 247.1414 Prometon + 1.7550333 + 132.0969@1.8145384 1.8145384 (133.10408, 1256.715) 6 132.0969 132.0969@1.8145384 + 1,4-Naphthoquinone 1.9779603 C02617 1,4-Naphthoquinone [ C10 H6 O2, mfg=45.64, db=45.47, overall=45.56, CAS ID=130-15-4, KEGG ID=C02617, METLIN ID=65798 ] 130-15-4 (181.02538, 1305.24) 53 180.0181 1,4-Naphthoquinone + 122.0476@2.0623379 2.0623379 (123.05489, 17330.145)(124.057526, 1183.5189) 41 122.0476 122.0476@2.0623379 + 85.0528@2.4881794 2.4881794 (86.06005, 2101.2505) 30 85.0528 85.0528@2.4881794 + 152.0579@2.6037338 2.6037338 (153.06523, 2624.1965)(175.0476, 405.0) 3 152.0579 152.0579@2.6037338 + 218.134@3.062035 3.062035 (219.1411, 3326.828) 13 218.134 218.134@3.062035 + 3,6-dioxo-decanoic acid 3.0615351 3,6-dioxo-decanoic acid [ C10 H16 O4, mfg=47.32, db=97.98, overall=72.65, Lipid ID=LMFA01060079, METLIN ID=74717 ] (218.13843, 30292.531)(219.14116, 2939.873)(220.14343, 500.1574) 74 217.1311 3,6-dioxo-decanoic acid + LMFA01060079 193.1097@3.0320547 3.0320547 (194.11694, 2641.8884)(195.12157, 567.29083) 49 193.1097 193.1097@3.0320547 + 267.0961@3.1113894 3.1113894 (268.10336, 6275.7173)(269.1063, 878.3834) 24 267.0961 267.0961@3.1113894 + 270.0674@3.1237035 3.1237035 (271.07425, 1094.635) 2 270.0674 270.0674@3.1237035 + 6-Methoxyquinoline 3.1908777 6-Methoxyquinoline [ C10 H9 N O, mfg=97.81, db=97.81, overall=97.81, CAS ID=5263-87-6, METLIN ID=34519 ] 5263-87-6 (160.07544, 63257.586)(161.07845, 5733.0234)(162.08043, 553.48474)(177.1018, 20303.963)(178.10484, 2438.1926) 74 159.0682 6-Methoxyquinoline + 177.0976@3.191772 3.191772 (178.10487, 2214.8027) 17 177.0976 177.0976@3.191772 + 176.0946@3.1925104 3.1925104 (353.19635, 2653.1675)(177.10188, 18271.875)(178.1051, 2314.435) 17 176.0946 176.0946@3.1925104 + 160.0711@3.1928077 3.1928077 (161.07843, 5639.199)(162.08066, 463.605)(178.10455, 2563.315) 25 160.0711 160.0711@3.1928077 + 220.0869@3.1952662 3.1952662 (221.09402, 1328.7754) 13 220.0869 220.0869@3.1952662 + C12 H23 N O5 3.1991136 [ C12 H23 N O5, mfg=84.82, overall=84.82 ] (262.1642, 6733.166)(263.16742, 919.1767) 72 261.1571 C12 H23 N O5 + 126.0424@3.3622575 3.3622575 (127.04969, 3017.196) 57 126.0424 126.0424@3.3622575 + 264.0714@3.3632398 3.3632398 (265.07886, 4102.9062)(266.0816, 562.1607) 54 264.0714 264.0714@3.3632398 + 124.0898@3.367195 3.367195 (125.09707, 1373.4752) 44 124.0898 124.0898@3.367195 + 170.0951@3.3672152 3.3672152 (171.10231, 1519.6503) 44 170.0951 170.0951@3.3672152 + Benzaldehyde 3.3674893 C00261 Benzaldehyde [ C7 H6 O, mfg=50.14, db=50.11, overall=50.13, CAS ID=100-52-7, KEGG ID=C00261, HMP ID=HMDB06115, METLIN ID=58358 ] 100-52-7 (107.04901, 2507.3286)(108.0467, 474.7) 61 106.0417 Benzaldehyde HMDB06115 + 172.1014@3.368308 3.368308 (173.10876, 4427.2114) 22 172.1014 172.1014@3.368308 + 125.0935@3.367929 3.367929 (126.10073, 139177.4) 23 125.0935 125.0935@3.367929 + 193.081@3.3676844 3.3676844 (194.08844, 2309.477) 39 193.081 193.081@3.3676844 + 171.0992@3.3682334 3.3682334 (343.20483, 1251.5701)(172.10637, 185123.31) 22 171.0992 171.0992@3.3682334 + 154.0726@3.3669374 3.3669374 (155.07918, 8816.684)(137.0686, 3411.0364)(172.10643, 186212.34)(173.10887, 4481.262)(174.11018, 626.7294) 73 154.0726 154.0726@3.3669374 + 165.0787@3.3689568 3.3689568 (166.086, 91839.55)(167.0894, 3244.24) 23 165.0787 165.0787@3.3689568 + 336.1772@3.3659008 3.3659008 (337.18445, 1570.1724) 4 336.1772 336.1772@3.3659008 + 166.0815@3.3686574 3.3686574 (167.08894, 7783.8794) 21 166.0815 166.0815@3.3686574 + 126.0949@3.368114 3.368114 (127.10236, 2282.195) 18 126.0949 126.0949@3.368114 + 119.0732@3.3686466 3.3686466 (120.08045, 72486.47) 24 119.0732 119.0732@3.3686466 + C3 H6 N5 3.3670816 [ C3 H6 N5, mfg=43.05, overall=43.05 ] (113.06876, 4105.08) 72 112.0614 C3 H6 N5 + 148.0522@3.3677135 3.3677135 (149.05911, 5158.132)(150.06233, 557.02783)(131.04855, 2039.0128)(166.08598, 93193.44)(167.08888, 7512.449)(168.09131, 674.00446) 69 148.0522 148.0522@3.3677135 + 561.1942@3.367562 3.367562 (562.20197, 1504.1311)(563.2055, 368.68668)(584.18286, 553.43506) 30 561.1942 561.1942@3.367562 + 102.0467@3.367503 3.367503 (103.05382, 2416.5295)(104.0576, 417.97)(105.045, 1107.16)(120.08051, 76667.19) 62 102.0467 102.0467@3.367503 + 108.0669@3.366924 3.366924 (109.073746, 3887.7131)(126.10069, 141525.3)(127.102325, 2450.3457) 73 108.0669 108.0669@3.366924 + 187.0599@3.3678727 3.3678727 (188.06744, 1558.879) 22 187.0599 187.0599@3.3678727 + 406.2042@3.4327638 3.4327638 (407.2116, 1758.685) 4 406.2042 406.2042@3.4327638 + 75.0322@3.441877 3.441877 (76.039505, 1997.859) 11 75.0322 75.0322@3.441877 + 145.0735@3.4432533 3.4432533 (146.08063, 1661.6068) 3 145.0735 145.0735@3.4432533 + 2,3-bis (4-Hydroxyphenyl) Propionitrile 3.4485347 2,3-bis (4-Hydroxyphenyl) Propionitrile [ C15 H13 N O2, mfg=80.29, db=80.23, overall=80.26, CAS ID=1428-67-7, METLIN ID=45149 ] 1428-67-7 (240.10132, 3569.9482)(241.10419, 754.39026) 45 239.0941 2,3-bis (4-Hydroxyphenyl) Propionitrile + Methdilazine 3.5842211 C07175 Methdilazine [ C18 H20 N2 S, mfg=65.28, db=65.32, overall=65.30, CAS ID=, KEGG ID=C07175, METLIN ID=43285 ] (297.14383, 4070.7275)(298.14722, 725.8755) 24 296.1362 Methdilazine + 219.1102@3.6286936 3.6286936 (220.1174, 2905.564)(221.12077, 534.47144)(242.09894, 678.105) 29 219.1102 219.1102@3.6286936 + N(alpha)-t-Butoxycarbonyl-L-leucine 3.8533192 C04301 N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, mfg=91.50, db=91.50, overall=91.50, KEGG ID=C04301, METLIN ID=66157 ] (232.15384, 12080.861)(233.15695, 1402.476)(234.15898, 747.4033) 65 231.1467 N(alpha)-t-Butoxycarbonyl-L-leucine + 184.1208@3.8542924 3.8542924 (185.12784, 2209.3042)(186.1309, 497.06) 7 184.1208 184.1208@3.8542924 + 116.0831@3.8904877 3.8904877 (117.090546, 1327.1946) 27 116.0831 116.0831@3.8904877 + 134.0938@3.8891847 3.8891847 (135.10097, 1255.1793)(117.09065, 1122.65)(157.08183, 1054.82) 14 134.0938 134.0938@3.8891847 + 188.066@3.9092534 3.9092534 (189.0734, 6818.034)(190.0751, 645.89)(206.09975, 11402.35) 9 188.066 188.066@3.9092534 + Indoleacrylic acid 3.9084373 C00331 Indoleacrylic acid [ C11 H9 N O2, mfg=97.77, db=97.77, overall=97.77, CAS ID=1204-06-4, KEGG ID=C00331, HMP ID=HMDB00734, METLIN ID=5702 ] 1204-06-4 (188.0704, 65368.23)(189.0734, 6415.652)(190.07521, 690.4679)(205.09714, 89968.93)(206.09982, 9274.78)(207.1025, 895.8247) 65 187.0632 Indoleacrylic acid HMDB00734 + 204.0899@3.909051 3.909051 (409.1864, 13526.96)(205.09712, 92449.555)(206.0998, 8517.561) 4 204.0899 204.0899@3.909051 + 131.0737@3.9088342 3.9088342 (132.08089, 2126.5273)(133.08417, 427.05002) 15 131.0737 131.0737@3.9088342 + 158.0838@3.9090738 3.9090738 (159.09113, 3081.8013)(160.09216, 515.5355) 43 158.0838 158.0838@3.9090738 + 269.1466@3.942948 3.942948 (270.15405, 1981.3151) 6 269.1466 269.1466@3.942948 + 252.1203@3.9429069 3.9429069 (253.12756, 2029.8706)(270.15408, 1791.7954)(275.10944, 385.11502) 71 252.1203 252.1203@3.9429069 + N(alpha)-t-Butoxycarbonyl-L-leucine + 3.9469597 3.9469597 C04301 N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, mfg=98.33, db=98.33, overall=98.33, KEGG ID=C04301, METLIN ID=66157 ] (232.15404, 24261.006)(233.157, 2723.6084)(234.15858, 582.8537) 74 231.1468 N(alpha)-t-Butoxycarbonyl-L-leucine + 3.9469597 + 132.0782@4.0142517 4.0142517 (133.08539, 1455.1332) 38 132.0782 132.0782@4.0142517 + 239.1445@4.014727 4.014727 (240.15167, 4361.9375)(241.1534, 892.59) 16 239.1445 239.1445@4.014727 + 238.1414@4.014093 4.014093 (239.14859, 46531.484)(240.15167, 4421.007)(241.15346, 707.19617)(256.17493, 17792.412)(257.17795, 1885.96)(258.1809, 367.49)(261.13202, 715.69183) 74 238.1414 238.1414@4.014093 + 88.0529@4.0162916 4.0162916 (177.11133, 939.36005)(89.060524, 1981.7233) 3 88.0529 88.0529@4.0162916 + 256.1704@4.014171 4.014171 (257.1781, 2052.8994) 11 256.1704 256.1704@4.014171 + Tetrahydrofuran 4.1956863 Tetrahydrofuran [ C4 H8 O, mfg=68.08, db=68.08, overall=68.08, HMP ID=HMDB00246, METLIN ID=5251 ] (73.065155, 3193.1348)(74.061775, 322.01678) 63 72.0579 Tetrahydrofuran HMDB00246 + 296.1464@4.2518187 4.2518187 (297.15332, 470.55002)(314.18002, 1667.27) 3 296.1464 296.1464@4.2518187 + 282.1673@4.3079777 4.3079777 (283.17432, 3947.967)(284.17667, 646.563)(300.20117, 10367.853)(301.20428, 1369.6315) 74 282.1673 282.1673@4.3079777 + 300.1972@4.308062 4.308062 (301.2043, 1532.6814) 8 300.1972 300.1972@4.308062 + Oxindole 4.357333 C12312 Oxindole [ C8 H7 N O, mfg=60.54, db=60.54, overall=60.54, CAS ID=59-48-3, KEGG ID=C12312, METLIN ID=34541 ] 59-48-3 (134.05951, 2819.2705)(135.06456, 581.57) 36 133.0522 Oxindole + 105.0576@4.4083657 4.4083657 (106.06485, 3602.8137)(107.067314, 571.75464) 35 105.0576 105.0576@4.4083657 + 263.0459@4.4082403 4.4082403 (264.05325, 2235.9524) 4 263.0459 263.0459@4.4082403 + 572.3059@4.438411 4.438411 (573.3129, 2625.157)(574.3156, 860.0567) 6 572.3059 572.3059@4.438411 + 252.1566@4.4881434 4.4881434 (253.1639, 1590.6467)(254.16489, 355.8725)(270.19037, 1027.5668) 67 252.1566 252.1566@4.4881434 + 357.1989@4.517497 4.517497 (358.20654, 1163.3617) 48 357.1989 357.1989@4.517497 + 326.1933@4.5595083 4.5595083 (327.20047, 983.68616)(344.22717, 9591.446)(345.23035, 1442.0594) 65 326.1933 326.1933@4.5595083 + 344.2227@4.559782 4.559782 (345.2308, 1581.78) 2 344.2227 344.2227@4.559782 + (-)-11-hydroxy-9,10-dihydrojasmonic acid 4.6477866 (-)-11-hydroxy-9,10-dihydrojasmonic acid [ C12 H20 O4, mfg=46.35, db=83.28, overall=64.82, Lipid ID=LMFA02020012, METLIN ID=45942 ] (246.16943, 4437.013)(247.17235, 719.58264) 71 245.1621 (-)-11-hydroxy-9,10-dihydrojasmonic acid + LMFA02020012 899.4122@4.659602 4.659602 (900.4192, 2296.3674) 4 899.4122 899.4122@4.659602 + Phe His Phe 4.6606 Phe His Phe [ C24 H27 N5 O4, db=45.49, overall=45.49, METLIN ID=22527 ] (899.4174, 5889.5967)(900.41943, 1088.1455) 60 898.4101 Phe His Phe + 897.9088@4.6606097 4.6606097 (898.9157, 5991.194)(899.91833, 2521.469)(900.92004, 533.342) 66 897.9088 897.9088@4.6606097 + 898.9103@4.6598353 4.6598353 (899.91785, 5175.2974)(900.9208, 822.24) 7 898.9103 898.9103@4.6598353 + 599.6083@4.661549 4.661549 (600.616, 2029.7087) 7 599.6083 599.6083@4.661549 + 599.2744@4.6629767 4.6629767 (600.2817, 3157.9397) 55 599.2744 599.2744@4.6629767 + C18 H5 N3 O21 4.663309 [ C18 H5 N3 O21, mfg=62.44, overall=62.44 ] (599.9475, 5551.5923)(600.94995, 551.2734) 65 598.94 C18 H5 N3 O21 + 598.6063@4.6632004 4.6632004 (599.6133, 6012.861)(600.6158, 1095.3204) 67 598.6063 598.6063@4.6632004 + 449.205@4.663 4.663 (450.2123, 1279.71) 1 449.205 449.205@4.663 + 448.9555@4.6633916 4.6633916 (449.96216, 1218.9532) 3 448.9555 448.9555@4.6633916 + 847.3835@4.702 4.702 (848.3908, 1006.86)(849.3937, 417.04) 1 847.3835 847.3835@4.702 + 401.2253@4.7462454 4.7462454 (402.2327, 1068.4417) 6 401.2253 401.2253@4.7462454 + Traumatic Acid 4.7458344 C16308 Traumatic Acid [ C12 H20 O4, mfg=46.35, db=85.50, overall=65.93, CAS ID=6402-36-4, Lipid ID=LMFA01170002, KEGG ID=C16308, HMP ID=HMDB00933, METLIN ID=5882 ] 6402-36-4 (246.16943, 7254.728)(247.17253, 1004.6827) 69 245.1622 Traumatic Acid HMDB00933 + LMFA01170002 387.2461@4.7786446 4.7786446 (388.2536, 7631.288)(389.2564, 1330.9333) 72 387.2461 387.2461@4.7786446 + 431.2722@4.971254 4.971254 (432.27936, 6122.167)(433.28293, 1230.6552) 72 431.2722 431.2722@4.971254 + Tyr Thr Gln 5.035639 Tyr Thr Gln [ C18 H26 N4 O7, db=71.15, overall=71.15, METLIN ID=16374 ] (821.3672, 20176.197)(822.36914, 3653.7402)(823.3703, 503.74667) 47 820.3605 Tyr Thr Gln + 819.8594@5.0357723 5.0357723 (820.866, 18767.541)(821.868, 6635.0176)(822.87115, 1371.652) 61 819.8594 819.8594@5.0357723 + 820.8614@5.034674 5.034674 (821.8685, 10130.352) 5 820.8614 820.8614@5.034674 + 193.074@5.0639434 5.0639434 (409.1368, 543.88)(194.08128, 2901.204)(195.08435, 908.97)(216.0632, 1166.7151) 17 193.074 193.074@5.0639434 + 75.0322@5.064364 5.064364 (76.03945, 3092.9202) 10 75.0322 75.0322@5.064364 + 339.1889@5.0804696 5.0804696 (340.1958, 1232.2655) 60 339.1889 339.1889@5.0804696 + 475.2982@5.1430035 5.1430035 (476.30548, 5057.853)(477.3086, 1108.976)(478.3099, 426.16) 70 475.2982 475.2982@5.1430035 + 472.831@5.145367 5.145367 (473.8381, 5424.9395)(474.84125, 579.57) 44 472.831 472.831@5.145367 + 478.8245@5.1450143 5.1450143 (479.83194, 5374.6997) 29 478.8245 478.8245@5.1450143 + 476.8271@5.1449876 5.1449876 (477.8346, 17524.818)(478.8258, 477.82)(479.8319, 1349.7) 12 476.8271 476.8271@5.1449876 + Nitrapyrin 5.145276 C18751 Nitrapyrin [ C6 H3 Cl4 N, db=66.07, overall=33.04, CAS ID=1929-82-4, KEGG ID=C18751, METLIN ID=72524 ] 1929-82-4 (475.83633, 16338.925)(476.8394, 1321.5178)(477.8344, 15658.409)(478.82474, 519.76)(479.8317, 1573.3667) 57 474.8293 Nitrapyrin + 187.1205@5.1554575 5.1554575 (188.12807, 611.24)(170.1171, 2557.8328)(171.11479, 472.85336)(210.1102, 762.37) 19 187.1205 187.1205@5.1554575 + 173.1049@5.2785378 5.2785378 (174.1119, 1537.27) 4 173.1049 173.1049@5.2785378 + C18 H35 N18 O 5.2973204 [ C18 H35 N18 O, mfg=82.46, overall=82.46 ] (520.33185, 3928.357)(521.33484, 978.42615) 73 519.3245 C18 H35 N18 O + 383.2147@5.320896 5.320896 (384.22195, 1102.6031) 54 383.2147 383.2147@5.320896 + 467.8037@5.3683724 5.3683724 (468.8105, 2800.756)(469.813, 442.27)(470.8087, 1040.73) 40 467.8037 467.8037@5.3683724 + 465.8054@5.3684964 5.3684964 (466.81265, 3212.457)(467.81607, 429.612)(468.8106, 4478.4243)(469.81302, 330.49167)(470.8087, 1491.6167) 49 465.8054 465.8054@5.3684964 + 463.8101@5.3685384 5.3685384 (464.81662, 1429.9302) 13 463.8101 463.8101@5.3685384 + 563.3506@5.437378 5.437378 (564.3577, 3086.5554)(565.361, 847.9893) 70 563.3506 563.3506@5.437378 + C22 H43 N18 O3 5.565237 [ C22 H43 N18 O3, mfg=80.61, overall=80.61 ] (608.3837, 2236.6106)(609.38684, 669.88684) 69 607.377 C22 H43 N18 O3 + 651.4026@5.683919 5.683919 (652.41, 1492.0535)(653.4132, 485.84656) 47 651.4026 651.4026@5.683919 + C10 H24 N3 O4 5.9472146 [ C10 H24 N3 O4, mfg=46.11, overall=46.11 ] (251.18457, 1559.4207) 64 250.1775 C10 H24 N3 O4 + 216.0992@5.9963155 5.9963155 (217.10638, 1979.3599)(218.1096, 378.4)(234.13297, 465.07236)(239.09, 431.47) 72 216.0992 216.0992@5.9963155 + 320.123@6.1152105 6.1152105 (321.13016, 1416.7131)(322.1348, 396.93) 31 320.123 320.123@6.1152105 + Oxyquinoline 6.1905494 C19434 Oxyquinoline [ C9 H7 N O, mfg=76.15, db=76.13, overall=76.14, CAS ID=148-24-3, KEGG ID=C19434, METLIN ID=44006 ] 148-24-3 (146.05959, 3696.3342)(147.06262, 616.5788) 54 145.0523 Oxyquinoline + 147.0682@6.233 6.233 (148.0755, 1044.02) 1 147.0682 147.0682@6.233 + 106.0622@6.3805513 6.3805513 (107.06958, 1361.6566)(89.06166, 932.68) 44 106.0622 106.0622@6.3805513 + 162.1251@6.379572 6.379572 (163.13235, 3020.3352)(164.13531, 454.7417) 72 162.1251 162.1251@6.379572 + endo-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-N-oxide 6.572036 endo-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-N-oxide [ C18 H24 N4 O2, mfg=38.18, db=37.73, overall=37.95, CAS ID=160177-68-4, METLIN ID=3142 ] 160177-68-4 (346.2219, 1291.9731) 29 345.2145 endo-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-N-oxide + 415.2594@6.6803703 6.6803703 (416.26663, 1139.9137) 38 415.2594 415.2594@6.6803703 + 308.2192@6.725598 6.725598 (309.22653, 3577.1814)(310.2298, 601.9784)(326.253, 2788.3418)(327.25598, 504.6172)(331.21, 342.05) 67 308.2192 308.2192@6.725598 + 459.2858@6.793731 6.793731 (460.2926, 1594.81)(461.29507, 446.47336) 73 459.2858 459.2858@6.793731 + 210.0887@6.7995224 6.7995224 (211.0959, 1234.0707)(233.07796, 1476.6112) 35 210.0887 210.0887@6.7995224 + 323.2298@6.832462 6.832462 (324.23724, 1120.4701) 9 323.2298 323.2298@6.832462 + 503.3111@6.8944993 6.8944993 (504.31873, 1806.9456)(505.32132, 531.47784) 74 503.3111 503.3111@6.8944993 + 547.3377@6.98453 6.98453 (548.3447, 1665.8058)(549.34766, 518.41833) 74 547.3377 547.3377@6.98453 + 591.3638@7.0662317 7.0662317 (592.37085, 1186.639)(593.3739, 423.52805) 66 591.3638 591.3638@7.0662317 + 1-Ethyl-1,3-dimethyl-cyclohexane skeleton 7.1010733 1-Ethyl-1,3-dimethyl-cyclohexane skeleton [ C10 H20, mfg=45.29, db=45.12, overall=45.21, METLIN ID=53282 ] (158.18968, 2016.7029) 72 157.1826 1-Ethyl-1,3-dimethyl-cyclohexane skeleton + 229.1672@7.1719728 7.1719728 (230.17444, 2143.3518)(231.17778, 535.1567)(212.16377, 2874.1326)(213.16309, 532.49036)(252.15623, 577.37006) 43 229.1672 229.1672@7.1719728 + 243.183@7.7897353 7.7897353 (244.19025, 5433.711)(245.1933, 799.10364)(226.17969, 4883.522)(227.17877, 848.7211)(266.17218, 1400.1499)(267.17554, 468.58398) 74 243.183 243.183@7.7897353 + 969.4633@8.010927 8.010927 (970.4708, 2681.818) 42 969.4633 969.4633@8.010927 + 1090.3975@8.035977 8.035977 (1091.4044, 1765.1155)(1092.4022, 794.5746)(1093.4061, 597.48334) 30 1090.3975 1090.3975@8.035977 + 971.2453@8.011135 8.011135 (972.2519, 1576.2627)(973.2463, 435.07666) 29 971.2453 971.2453@8.011135 + 969.2416@8.012949 8.012949 (970.2497, 2069.1738)(971.2444, 423.82333)(972.25183, 2005.93)(973.24835, 145.06) 37 969.2416 969.2416@8.012949 + 872.7168@8.027124 8.027124 (873.72314, 1905.3685) 34 872.7168 872.7168@8.027124 + 793.1974@8.01055 8.01055 (794.204, 1693.29) 21 793.1974 793.1974@8.01055 + 872.9147@8.027616 8.027616 (873.9208, 1213.3206)(874.9264, 671.91376)(875.92224, 548.2273) 21 872.9147 872.9147@8.027616 + 872.6161@8.015666 8.015666 (873.6234, 2468.4084) 35 872.6161 872.6161@8.015666 + 872.5177@8.014128 8.014128 (873.5244, 2647.455) 39 872.5177 872.5177@8.014128 + 971.4663@8.011298 8.011298 (972.47284, 1691.7007) 33 971.4663 971.4663@8.011298 + (+)-Tephrorin A 8.011135 (+)-Tephrorin A [ C24 H26 O7, db=42.86, overall=42.86, Lipid ID=LMPK12140008, METLIN ID=52498 ] (875.32635, 1464.6676) 25 874.3188 (+)-Tephrorin A + LMPK12140008 971.6853@8.0113125 8.0113125 (972.69324, 1301.6228) 20 971.6853 971.6853@8.0113125 + 1091.0201@8.0801 8.0801 (1092.0275, 2550.2551)(1093.0227, 430.33502) 61 1091.0201 1091.0201@8.0801 + 874.1191@8.008504 8.008504 (875.12695, 1440.6514)(876.1218, 358.09) 21 874.1191 874.1191@8.008504 + 874.2184@8.009286 8.009286 (875.2268, 1560.4639) 25 874.2184 874.2184@8.009286 + 872.3192@8.022123 8.022123 (873.32556, 1855.6102)(874.32056, 503.2775) 31 872.3192 872.3192@8.022123 + 1092.8981@8.010965 8.010965 (1093.9066, 1254.4188) 26 1092.8981 1092.8981@8.010965 + CB3717 8.012016 C11737 CB3717 [ C24 H23 N5 O6, db=23.13, overall=23.13, KEGG ID=C11737, METLIN ID=69187 ] (972.3622, 1761.7688)(973.3479, 367.95) 31 971.3551 CB3717 + 793.1071@8.011041 8.011041 (794.11346, 1592.1532) 18 793.1071 793.1071@8.011041 + 971.1318@8.015225 8.015225 (972.14014, 1222.1433)(973.1326, 493.5167) 6 971.1318 971.1318@8.015225 + 971.5778@8.011243 8.011243 (972.5839, 1450.4595) 22 971.5778 971.5778@8.011243 + Corticosterone 8.021635 C02140 Corticosterone [ C21 H30 O4, mfg=97.31, db=97.31, overall=97.31, CAS ID=50-22-6, Lipid ID=LMST02030092, KEGG ID=C02140, HMP ID=HMDB01547, METLIN ID=6314 ] 50-22-6 (715.41626, 762.1762)(716.41864, 489.1988)(347.2211, 8777.73)(348.22446, 1894.8701)(349.2269, 434.85153)(369.2031, 442.62) 66 346.214 Corticosterone HMDB01547 + LMST02030092 725.6787@8.097768 8.097768 (726.68506, 1116.53) 2 725.6787 725.6787@8.097768 + 791.5595@8.096829 8.096829 (792.5662, 2805.3474) 46 791.5595 791.5595@8.096829 + Rebaudioside C 8.096962 Rebaudioside C [ C44 H70 O22, db=53.49, overall=53.49, CAS ID=63550-99-2, METLIN ID=84999 ] 63550-99-2 (968.46857, 5337.5547)(969.4667, 480.71588)(970.4707, 3958.6458)(971.46594, 391.82336)(972.4673, 296.335) 64 967.461 Rebaudioside C + 725.596@8.1 8.1 (726.6032, 1062.81) 1 725.596 725.596@8.1 + 967.9043@8.096865 8.096865 (968.91077, 3258.9822)(969.9188, 351.29)(970.9119, 1839.82) 59 967.9043 967.9043@8.096865 + 969.7945@8.092782 8.092782 (970.8027, 2250.4868) 56 969.7945 969.7945@8.092782 + 968.1255@8.095035 8.095035 (969.1324, 1518.827)(970.1388, 1490.3083)(971.13306, 1121.2422) 55 968.1255 968.1255@8.095035 + 1088.5186@8.097227 8.097227 (1089.5258, 8389.921)(1090.5239, 593.9775)(1091.5292, 4856.805)(1092.5248, 1070.3726) 66 1088.5186 1088.5186@8.097227 + 1091.2684@8.096067 8.096067 (1092.2758, 1872.095) 59 1091.2684 1091.2684@8.096067 + 967.5719@8.096836 8.096836 (968.579, 5871.2524)(969.5843, 331.78)(970.581, 3282.37) 63 967.5719 967.5719@8.096836 + 969.9051@8.0919695 8.0919695 (970.9123, 1871.5333) 48 969.9051 969.9051@8.0919695 + 1088.8918@8.097102 8.097102 (1089.8993, 4679.2104) 65 1088.8918 1088.8918@8.097102 + 1088.768@8.096818 8.096818 (1089.7747, 6375.931) 66 1088.768 1088.768@8.096818 + 791.9196@8.096376 8.096376 (792.9268, 1770.8142) 41 791.9196 791.9196@8.096376 + 1088.394@8.097385 8.097385 (1089.4011, 7646.506)(1090.3982, 784.3053)(1091.4054, 3613.5544)(1092.3995, 1332.9971) 68 1088.394 1088.394@8.097385 + 791.6488@8.097665 8.097665 (792.6568, 2888.0537) 50 791.6488 791.6488@8.097665 + 969.6852@8.094457 8.094457 (970.6918, 2668.0513)(971.6899, 218.695)(972.684, 345.155) 61 969.6852 969.6852@8.094457 + 967.682@8.097698 8.097698 (968.69006, 5367.1226) 66 967.682 967.682@8.097698 + 1088.1447@8.097065 8.097065 (1089.1528, 3475.909)(1090.1483, 1935.042)(1091.1559, 969.2764) 66 1088.1447 1088.1447@8.097065 + 967.3509@8.097023 8.097023 (968.35864, 4151.239)(969.353, 618.3284)(970.36005, 3350.7244)(971.3548, 577.08356) 62 967.3509 967.3509@8.097023 + 1089.0168@8.096767 8.096767 (1090.0243, 3128.2375)(1091.0281, 471.53336)(1092.0272, 3949.7964)(1093.0219, 431.41)(1094.0194, 515.3) 65 1089.0168 1089.0168@8.096767 + 1088.643@8.097517 8.097517 (1089.65, 7728.7656) 67 1088.643 1088.643@8.097517 + 969.5739@8.090546 8.090546 (970.5816, 3126.3523)(971.57745, 415.89807)(972.5768, 396.8086) 60 969.5739 969.5739@8.090546 + 791.8291@8.095949 8.095949 (792.83655, 2351.427) 45 791.8291 791.8291@8.095949 + 968.0142@8.095864 8.095864 (969.0209, 2256.042)(970.02814, 715.2181)(971.023, 1456.2228) 60 968.0142 968.0142@8.095864 + 871.3123@8.09324 8.09324 (872.31836, 1103.2006)(873.32477, 990.67285)(874.3181, 578.37) 20 871.3123 871.3123@8.09324 + 1091.1443@8.095629 8.095629 (1092.1517, 2473.8862)(1093.1475, 388.56)(1094.1473, 524.14) 59 1091.1443 1091.1443@8.095629 + 870.5188@8.097003 8.097003 (871.5236, 1663.8385)(872.5202, 462.6839)(873.52405, 1530.502)(874.5161, 304.9833) 38 870.5188 870.5188@8.097003 + 967.7929@8.097926 8.097926 (968.8005, 4319.125) 66 967.7929 967.7929@8.097926 + alpha-Hydroxytamoxifen 8.097681 C16544 alpha-Hydroxytamoxifen [ C26 H29 N O2, db=38.03, overall=38.03, CAS ID=97151-02-5, KEGG ID=C16544, METLIN ID=71232 ] 97151-02-5 (792.47546, 2128.769) 42 791.4683 alpha-Hydroxytamoxifen + 1088.2699@8.097439 8.097439 (1089.2772, 5781.2637)(1090.2734, 1205.2363)(1091.281, 2104.9915) 67 1088.2699 1088.2699@8.097439 + 1090.5217@8.095274 8.095274 (1091.5298, 4444.8037)(1092.524, 963.232) 63 1090.5217 1090.5217@8.095274 + 1090.7712@8.096899 8.096899 (1091.7789, 4678.5044)(1092.773, 603.9175)(1093.7737, 423.47498) 65 1090.7712 1090.7712@8.096899 + 967.2411@8.096623 8.096623 (968.2483, 2473.2722)(969.2428, 907.90533)(970.25, 2405.4893)(971.24414, 779.99585) 66 967.2411 967.2411@8.096623 + 1095.385@8.093304 8.093304 (1096.3911, 1041.7008) 12 1095.385 1095.385@8.093304 + 1090.6458@8.096808 8.096808 (1091.6537, 4873.8906)(1092.649, 742.6526) 65 1090.6458 1090.6458@8.096808 + 969.4636@8.097709 8.097709 (970.47095, 3062.9756)(971.46466, 547.1256)(972.4678, 406.14) 45 969.4636 969.4636@8.097709 + 871.1131@8.09887 8.09887 (872.1198, 2166.4482)(873.1259, 399.92734)(874.12054, 718.0033) 39 871.1131 871.1131@8.09887 + 973.6763@8.104 8.104 (974.6836, 1080.62) 1 973.6763 973.6763@8.104 + 870.8146@8.098095 8.098095 (871.82166, 3805.2444) 41 870.8146 870.8146@8.098095 + 1090.8958@8.096926 8.096926 (1091.9032, 3846.6243)(1092.8984, 486.1927)(1093.8967, 389.51624) 67 1090.8958 1090.8958@8.096926 + 870.9141@8.0989065 8.0989065 (871.9211, 3481.7075) 46 870.9141 870.9141@8.0989065 + 390.2769@8.10349 8.10349 (391.28238, 707.664)(392.2865, 382.15)(373.27286, 1569.8667)(374.27597, 448.57666) 5 390.2769 390.2769@8.10349 + 1095.1364@8.098434 8.098434 (1096.1421, 1074.6476) 12 1095.1364 1095.1364@8.098434 + 430.2686@8.095339 8.095339 (431.27597, 1705.329)(432.27896, 556.2713) 24 430.2686 430.2686@8.095339 + 345.1606@8.239953 8.239953 (346.16763, 2197.8674)(347.17175, 492.99777) 13 345.1606 345.1606@8.239953 + 367.2564@8.2874775 8.2874775 (368.26355, 1224.2665)(369.2682, 322.13) 52 367.2564 367.2564@8.2874775 + 584.2619@8.364401 8.364401 (585.2694, 1380.495)(586.2725, 517.7183) 6 584.2619 584.2619@8.364401 + L-alpha-glutamyl-L-hydroxyproline 8.386641 L-alpha-glutamyl-L-hydroxyproline [ C10 H16 N2 O6, mfg=55.57, db=55.54, overall=55.56, HMP ID=HMDB11161, METLIN ID=62010 ] (261.10925, 1531.896)(262.1126, 458.13) 69 260.1019 L-alpha-glutamyl-L-hydroxyproline HMDB11161 + 1130.6823@8.422936 8.422936 (1131.6884, 1348.91) 3 1130.6823 1130.6823@8.422936 + 1185.7235@8.494 8.494 (1186.7302, 1310.125)(1187.7333, 805.14) 2 1185.7235 1185.7235@8.494 + 1186.2946@8.493177 8.493177 (1187.3016, 1416.4384) 13 1186.2946 1186.2946@8.493177 + 1038.1332@8.49297 8.49297 (1039.1409, 1386.93) 9 1038.1332 1038.1332@8.49297 + 1037.5106@8.493501 8.493501 (1038.5171, 1218.8867)(1039.515, 453.99332) 3 1037.5106 1037.5106@8.493501 + 922.6734@8.493765 8.493765 (923.6802, 1559.0344) 20 922.6734 922.6734@8.493765 + 1186.0103@8.493988 8.493988 (1187.0162, 1569.5973) 14 1186.0103 1186.0103@8.493988 + 922.8936@8.4937525 8.4937525 (923.90283, 1346.7251) 2 922.8936 922.8936@8.4937525 + 922.7832@8.493228 8.493228 (923.7906, 1319.4723) 18 922.7832 922.7832@8.493228 + 1038.2568@8.49884 8.49884 (1039.2622, 1264.14) 2 1038.2568 1038.2568@8.49884 + 1185.8682@8.493118 8.493118 (1186.8746, 1447.9355)(1187.8717, 379.1275) 9 1185.8682 1185.8682@8.493118 + 922.4511@8.491217 8.491217 (923.4589, 1616.7274) 23 922.4511 922.4511@8.491217 + 1037.6335@8.493064 8.493064 (1038.6407, 1412.1082) 16 1037.6335 1037.6335@8.493064 + 1186.581@8.499 8.499 (1187.5883, 1192.29) 1 1186.581 1186.581@8.499 + 1186.152@8.493329 8.493329 (1187.1589, 1503.5399) 18 1186.152 1186.152@8.493329 + 1186.4392@8.493294 8.493294 (1187.4448, 1237.4017) 6 1186.4392 1186.4392@8.493294 + 830.407@8.494346 8.494346 (831.413, 1543.7698) 14 830.407 830.407@8.494346 + 1038.0085@8.493428 8.493428 (1039.0153, 1537.9865) 17 1038.0085 1038.0085@8.493428 + 922.2295@8.493996 8.493996 (923.2356, 1190.715) 6 922.2295 922.2295@8.493996 + 1037.7585@8.491639 8.491639 (1038.7656, 1675.1469) 19 1037.7585 1037.7585@8.491639 + 830.5063@8.496503 8.496503 (831.5119, 1400.0012) 8 830.5063 830.5063@8.496503 + 830.1075@8.495815 8.495815 (831.1142, 1374.205) 16 830.1075 830.1075@8.495815 + 922.5607@8.493627 8.493627 (923.5696, 1688.0892) 25 922.5607 922.5607@8.493627 + 830.6055@8.497757 8.497757 (831.6112, 1154.105) 2 830.6055 830.6055@8.497757 + 830.3063@8.494327 8.494327 (831.313, 1692.9554) 17 830.3063 830.3063@8.494327 + 754.6397@8.501 8.501 (755.6469, 1162.0) 1 754.6397 754.6397@8.501 + 1037.8823@8.491734 8.491734 (1038.8899, 1757.1166) 17 1037.8823 1037.8823@8.491734 + 755.0044@8.502 8.502 (756.0117, 1030.95) 1 755.0044 755.0044@8.502 + 830.2068@8.493546 8.493546 (831.21405, 1601.9688) 18 830.2068 830.2068@8.493546 + 754.9148@8.502 8.502 (755.922, 1322.38) 1 754.9148 754.9148@8.502 + 754.8215@8.496973 8.496973 (755.8301, 1237.95) 4 754.8215 754.8215@8.496973 + 922.3408@8.494021 8.494021 (923.34784, 1597.1855) 14 922.3408 922.3408@8.494021 + 341.2194@8.553111 8.553111 (342.22693, 1559.2672)(343.22986, 475.6525)(344.22705, 347.475) 15 341.2194 341.2194@8.553111 + 275.188@8.731321 8.731321 (276.1953, 6329.026)(277.19855, 1198.3115) 74 275.188 275.188@8.731321 + 315.1807@8.732165 8.732165 (316.18777, 3939.191)(317.19153, 803.68884) 73 315.1807 315.1807@8.732165 + 210.1615@8.742186 8.742186 (211.16876, 1791.8568)(212.1714, 450.20438)(193.15729, 439.53)(228.19534, 9357.71)(229.19844, 1346.9156)(230.20169, 371.66) 58 210.1615 210.1615@8.742186 + 249.1699@8.737076 8.737076 (250.17723, 6260.7876)(251.18036, 840.065) 44 249.1699 249.1699@8.737076 + 278.0857@8.84879 8.84879 (279.09268, 1611.9137)(280.09824, 380.775) 36 278.0857 278.0857@8.84879 + Hydroxyibuprofen 8.850112 Hydroxyibuprofen [ C13 H18 O3, mfg=76.51, db=76.46, overall=76.49, CAS ID=51146-55-5, METLIN ID=691 ] 51146-55-5 (223.13223, 2109.3545)(224.13434, 393.66455)(245.11409, 422.566) 71 222.1249 Hydroxyibuprofen + 157.1462@8.979595 8.979595 (158.1534, 3987.3008)(159.15646, 430.9883) 72 157.1462 157.1462@8.979595 + 282.1649@8.998 8.998 (283.1724, 485.71)(300.1987, 5511.66)(301.2017, 1025.6) 1 282.1649 282.1649@8.998 + C19 H38 N2 O3 9.02214 [ C19 H38 N2 O3, mfg=92.21, overall=92.21 ] (343.29495, 6005.0947)(344.29797, 1253.4515)(345.3007, 458.6)(365.27682, 1728.0082)(366.27734, 473.87042) 74 342.2876 C19 H38 N2 O3 + 369.2509@9.029767 9.029767 (370.25827, 1567.3951)(371.26184, 423.47748) 15 369.2509 369.2509@9.029767 + 286.2614@9.1009655 9.1009655 (287.2687, 1801.0581)(288.2719, 438.6107) 37 286.2614 286.2614@9.1009655 + Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate 9.476321 C15382 Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate [ C24 H30 O6, mfg=81.41, db=81.25, overall=81.33, KEGG ID=C15382, METLIN ID=70852 ] (415.21075, 1008.6673)(416.21506, 427.635)(437.1932, 1962.1295)(438.19644, 542.2661) 60 414.2038 Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate + 176.0468@9.4784565 9.4784565 (177.05414, 2393.3767)(178.05786, 331.35498) 66 176.0468 176.0468@9.4784565 + 300.2775@9.491 9.491 (301.2848, 1119.67) 1 300.2775 300.2775@9.491 + 301.2068@9.5966425 9.5966425 (302.2142, 2424.06)(303.2174, 522.18665) 8 301.2068 301.2068@9.5966425 + 310.1776@9.660459 9.660459 (311.18472, 1545.2839)(312.18875, 363.06998)(333.1663, 355.2) 31 310.1776 310.1776@9.660459 + 414.2036@9.68608 9.68608 (415.21094, 1532.0237)(416.21503, 506.70056)(432.23837, 638.46716)(437.19275, 1815.1289)(438.19635, 556.05493) 38 414.2036 414.2036@9.68608 + 367.2719@9.771219 9.771219 (368.27893, 3205.8494)(369.2819, 806.36426) 26 367.2719 367.2719@9.771219 + 287.2818@9.875732 9.875732 (288.28897, 2582.3232)(289.2924, 483.79663) 3 287.2818 287.2818@9.875732 + 381.2873@9.890296 9.890296 (382.2946, 2371.6567)(383.29773, 640.8459) 21 381.2873 381.2873@9.890296 + 343.2715@9.894457 9.894457 (344.27887, 4168.073)(345.28244, 954.5569) 37 343.2715 343.2715@9.894457 + 414.2035@9.972441 9.972441 (415.21085, 1519.8546)(416.2152, 644.3242)(437.193, 3282.3875)(438.19632, 892.64655)(439.2007, 418.91) 48 414.2035 414.2035@9.972441 + 386.1852@10.007026 10.007026 (795.3605, 456.5)(387.19263, 2310.1062)(388.1963, 557.7335)(409.1744, 942.6977) 19 386.1852 386.1852@10.007026 + 360.2663@10.051665 10.051665 (361.27383, 1914.2999)(362.27612, 483.69998) 3 360.2663 360.2663@10.051665 + 620.2957@10.049797 10.049797 (621.30273, 1629.872)(622.3054, 542.672)(603.29224, 911.71) 5 620.2957 620.2957@10.049797 + 234.1252@10.05163 10.05163 (235.13257, 8503.31)(236.13588, 1256.8246)(257.11432, 524.055) 74 234.1252 234.1252@10.05163 + 213.2452@10.05783 10.05783 (214.2525, 3140.6265)(215.25563, 509.60004) 72 213.2452 213.2452@10.05783 + 491.2998@10.094444 10.094444 (492.30746, 1731.8501)(493.31, 506.59003) 3 491.2998 491.2998@10.094444 + 287.2821@10.097492 10.097492 (288.2892, 2409.9158)(289.29245, 484.4123) 15 287.2821 287.2821@10.097492 + 436.186@10.079233 10.079233 (437.19308, 10491.978)(438.19632, 2744.1372)(439.19904, 711.1862) 15 436.186 436.186@10.079233 + 118.0776@10.104734 10.104734 (119.084946, 1276.9) 2 118.0776 118.0776@10.104734 + 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate 10.106113 C15027 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate [ C27 H26 O5, mfg=46.94, db=79.61, overall=63.27, KEGG ID=C15027, METLIN ID=70521 ] (453.1667, 5542.9004)(454.16998, 1394.943)(455.16803, 616.03033) 74 452.1594 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate + 487.2909@10.110315 10.110315 (488.29794, 1273.0398)(489.3008, 450.71835) 8 487.2909 487.2909@10.110315 + 414.2043@10.107589 10.107589 (846.4426, 630.7233)(851.3962, 5735.6343)(852.3992, 2862.4102)(853.4029, 973.8632)(854.4162, 494.8783)(855.4287, 247.02)(415.21143, 47373.16)(416.21475, 10378.22)(417.21686, 1635.3385)(418.2196, 251.4775)(432.2383, 83885.27)(433.2412, 18088.682)(434.24368, 2776.507)(435.24625, 420.19858)(437.19327, 15608.019)(438.19626, 3704.7288)(439.1988, 632.791) 74 414.2043 414.2043@10.107589 + 534.2473@10.108497 10.108497 (535.25446, 14136.05)(536.25775, 4262.2725)(537.26013, 834.94696) 73 534.2473 534.2473@10.108497 + 513.3074@10.109671 10.109671 (514.31464, 1108.6387)(515.31775, 397.92908) 14 513.3074 513.3074@10.109671 + 472.2567@10.108016 10.108016 (473.2639, 7031.95)(474.26764, 2042.0631)(475.27017, 469.29187) 74 472.2567 472.2567@10.108016 + 440.2005@10.108347 10.108347 (441.20734, 521.0923)(458.2341, 1901.7441)(459.23956, 666.9176)(463.1867, 304.17) 17 440.2005 440.2005@10.108347 + 501.2721@10.108153 10.108153 (502.2792, 1919.4375)(503.28174, 672.6452)(504.28857, 415.60074) 74 501.2721 501.2721@10.108153 + 467.3003@10.16932 10.16932 (468.30768, 2977.6392)(469.31152, 773.04254) 31 467.3003 467.3003@10.16932 + 229.2399@10.180942 10.180942 (230.24722, 2699.344)(231.25041, 729.06195) 29 229.2399 229.2399@10.180942 + 414.2036@10.186964 10.186964 (851.39545, 1362.2863)(852.3989, 830.389)(853.40076, 470.03)(415.2108, 3879.4915)(416.2144, 1059.7302)(417.2173, 439.13)(432.2377, 2406.74)(433.2417, 648.55)(437.19284, 4672.6978)(438.19617, 1211.0287)(439.19986, 373.12668) 30 414.2036 414.2036@10.186964 + 106.0627@10.217618 10.217618 (107.06998, 4090.6997)(89.061745, 809.3662) 67 106.0627 106.0627@10.217618 + C12 H26 O3 10.21729 [ C12 H26 O3, mfg=86.50, overall=86.50 ] (219.19508, 5253.4414)(220.19838, 708.6554)(236.22162, 1709.6365)(237.2248, 435.05)(241.17682, 1211.8575)(242.177, 364.33) 73 218.1877 C12 H26 O3 + 620.2953@10.228326 10.228326 (621.3024, 1495.0845)(622.3051, 685.6175)(603.2918, 3643.8328)(604.29535, 1126.2112)(605.2974, 509.49)(643.2844, 459.585) 24 620.2953 620.2953@10.228326 + C19 H40 N5 O2 10.247012 [ C19 H40 N5 O2, mfg=83.74, overall=83.74 ] (371.32605, 2348.8552)(372.32928, 559.9571)(393.3071, 688.8109) 73 370.3187 C19 H40 N5 O2 + 534.2468@10.249127 10.249127 (535.25415, 1505.6918)(536.2572, 544.199) 11 534.2468 534.2468@10.249127 + 472.2565@10.243395 10.243395 (473.2633, 1387.23)(474.26678, 488.595) 4 472.2565 472.2565@10.243395 + 414.2035@10.258516 10.258516 (851.39514, 723.93774)(852.3998, 542.49005)(415.21094, 4489.1743)(416.2145, 1225.6958)(417.21738, 558.3637)(437.1931, 5032.627)(438.19632, 1329.0712)(439.1986, 429.44418) 66 414.2035 414.2035@10.258516 + 452.1594@10.255652 10.255652 (453.16644, 2733.1143)(454.17004, 733.6475)(455.16837, 446.844) 65 452.1594 452.1594@10.255652 + 499.2692@10.254878 10.254878 (500.27658, 2434.4666)(501.27954, 599.99664)(502.2764, 318.35) 3 499.2692 499.2692@10.254878 + 517.3157@10.274074 10.274074 (518.3232, 3171.9922)(519.3265, 933.6549)(520.33014, 458.24)(540.3042, 444.56) 36 517.3157 517.3157@10.274074 + 413.3138@10.292566 10.292566 (414.32065, 1460.415)(415.32275, 468.37668) 4 413.3138 413.3138@10.292566 + 369.2875@10.305281 10.305281 (370.29453, 3423.7324)(371.30423, 921.9195)(372.3058, 402.91) 27 369.2875 369.2875@10.305281 + C17 H41 N12 O8 10.305527 [ C17 H41 N12 O8, mfg=94.08, overall=94.08 ] (542.32367, 14352.428)(543.3266, 3911.02)(544.32916, 1091.6259)(545.3312, 505.66)(564.30493, 1346.2548)(565.30817, 984.33496) 63 541.3161 C17 H41 N12 O8 + 379.2481@10.308604 10.308604 (380.25528, 2987.7476)(381.2585, 830.15375) 23 379.2481 379.2481@10.308604 + 414.2035@10.31805 10.31805 (851.39594, 770.8599)(852.4002, 491.88)(415.21082, 1611.4973)(416.21426, 806.235)(437.19293, 2356.0176)(438.19598, 705.9716) 33 414.2035 414.2035@10.31805 + 336.2274@10.363663 10.363663 (337.2345, 21922.361)(338.2379, 3876.3057)(339.24042, 539.2329) 74 336.2274 336.2274@10.363663 + 208.1824@10.364372 10.364372 (209.18945, 2518.4358)(210.19263, 462.3)(191.17897, 12377.73)(192.18236, 1774.5627) 74 208.1824 208.1824@10.364372 + 331.2724@10.364159 10.364159 (332.27957, 71711.39)(333.28265, 11733.774)(334.285, 1468.7457) 74 331.2724 331.2724@10.364159 + 152.1196@10.370924 10.370924 (153.12688, 2134.8357)(154.1294, 378.28)(135.11636, 3267.9543)(136.11975, 456.26566) 54 152.1196 152.1196@10.370924 + 296.2347@10.363751 10.363751 (297.24203, 2815.0466)(298.24545, 572.44916) 70 296.2347 296.2347@10.363751 + 434.289@10.376415 10.376415 (435.296, 1156.7114)(436.29965, 346.195) 15 434.289 434.289@10.376415 + 565.315@10.408 10.408 (566.3223, 2450.9)(567.3265, 823.63) 1 565.315 565.315@10.408 + 517.316@10.40181 10.40181 (518.3234, 6436.9175)(519.3264, 1705.421)(520.3296, 713.13763)(540.3052, 1037.7384)(541.30945, 528.07) 53 517.316 517.316@10.40181 + Buprenorphine 10.409461 C08007 Buprenorphine [ C29 H41 N O4, mfg=70.30, db=70.27, overall=70.28, CAS ID=52485-79-7, KEGG ID=C08007, METLIN ID=1420 ] 52485-79-7 (468.3082, 21943.629)(469.31104, 4679.8022)(470.31393, 1159.339)(471.31677, 223.05)(490.28964, 2242.8289)(491.29343, 950.8542)(492.30402, 580.8225) 71 467.3009 Buprenorphine + 369.2872@10.418474 10.418474 (370.2947, 8122.304)(371.29904, 1902.5243)(372.30127, 561.8329) 53 369.2872 369.2872@10.418474 + 499.2693@10.422157 10.422157 (500.2766, 3865.4019)(501.27994, 1067.0007)(502.283, 391.58) 14 499.2693 499.2693@10.422157 + 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid 10.442167 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid [ C20 H38 O5, mfg=46.44, db=93.74, overall=70.09, METLIN ID=35498 ] (376.3064, 142592.1)(377.30875, 25633.799)(378.31104, 3333.139)(379.31366, 367.46878) 72 375.2989 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 340.2607@10.449117 10.449117 (341.26797, 2050.913)(342.27136, 502.20996) 36 340.2607 340.2607@10.449117 + 336.2274@10.445254 10.445254 (337.2345, 20103.367)(338.23798, 3562.1665)(339.24063, 516.2429) 74 336.2274 336.2274@10.445254 + 152.1197@10.451962 10.451962 (153.1269, 2605.2407)(154.13011, 401.084)(135.11635, 4365.906)(136.11981, 529.70123) 68 152.1197 152.1197@10.451962 + 208.1824@10.445708 10.445708 (209.18959, 3407.0461)(210.19272, 553.0066)(191.17918, 18224.225)(192.1824, 2524.4768)(193.18983, 423.6538) 74 208.1824 208.1824@10.445708 + 296.2348@10.446746 10.446746 (297.24207, 3117.1956)(298.2455, 631.3934) 73 296.2348 296.2348@10.446746 + 18-hydroxy-9S,10R-epoxy-stearic acid 10.447966 18-hydroxy-9S,10R-epoxy-stearic acid [ C18 H34 O4, mfg=47.57, db=96.10, overall=71.84, Lipid ID=LMFA02000004, METLIN ID=36011 ] (332.27966, 81435.984)(333.28275, 13258.685)(334.28513, 1658.1567) 74 331.2726 18-hydroxy-9S,10R-epoxy-stearic acid + LMFA02000004 434.2889@10.451911 10.451911 (435.29578, 1251.4852)(436.29898, 412.53998) 27 434.2889 434.2889@10.451911 + Lys Lys Lys 10.46364 Lys Lys Lys [ C18 H38 N6 O4, mfg=47.26, db=76.34, overall=61.80, METLIN ID=18451 ] (420.3289, 3059.9424)(421.3326, 881.9279) 61 419.3225 Lys Lys Lys + 517.3163@10.4694395 10.4694395 (518.32367, 12922.047)(519.32666, 3295.1858)(520.32947, 965.1664)(540.305, 1140.3782)(541.30896, 563.7943) 64 517.3163 517.3163@10.4694395 + 2-Amino-3-methyl-1-butanol + 10.466517 10.466517 2-Amino-3-methyl-1-butanol [ C5 H13 N O, mfg=47.06, db=47.06, overall=47.06, CAS ID=473-75-6, METLIN ID=44703 ] 473-75-6 (104.10671, 2477.005) 38 103.0995 2-Amino-3-methyl-1-butanol + 10.466517 + C17 H41 N12 O8 + 10.46663 10.46663 [ C17 H41 N12 O8, mfg=97.66, overall=97.66 ] (1083.636, 1429.3881)(1084.6414, 1478.645)(1085.6381, 627.52)(1105.6191, 1567.6432)(1106.6227, 953.9567)(1107.6263, 541.67)(542.3239, 52722.27)(543.32697, 14013.986)(544.3293, 2834.1772)(545.33167, 729.1284)(564.30524, 3370.7095)(565.30835, 1648.0048)(566.3128, 561.27124) 72 541.3165 C17 H41 N12 O8 + 10.46663 + 414.2038@10.483866 10.483866 (851.39557, 1758.0183)(852.39923, 1054.3713)(853.40234, 544.36)(415.21103, 5607.7666)(416.21426, 1424.1138)(417.21667, 493.3809)(432.2377, 2644.5361)(433.2407, 727.75433)(437.19296, 6393.593)(438.19626, 1666.8207)(439.19894, 439.54266) 44 414.2038 414.2038@10.483866 + 511.3267@10.499802 10.499802 (512.33374, 2236.7166)(513.33624, 674.9362) 9 511.3267 511.3267@10.499802 + PE(19:1(9Z)/0:0) 10.510197 PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=94.17, overall=47.09, Lipid ID=LMGP02050019, METLIN ID=77685 ] (494.3237, 8437.4795)(495.32657, 2108.7058)(496.3299, 738.75806)(516.30475, 784.08) 68 493.3161 PE(19:1(9Z)/0:0) + LMGP02050019 190.1719@10.513612 10.513612 (191.17902, 7418.7124)(192.18219, 1079.7377)(193.1888, 362.44) 27 190.1719 190.1719@10.513612 + Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate + 10.542064 10.542064 C15382 Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate [ C24 H30 O6, mfg=96.09, db=96.07, overall=96.08, KEGG ID=C15382, METLIN ID=70852 ] (851.3958, 2227.544)(852.3993, 1677.1345)(853.40234, 719.9689)(854.4071, 143.25)(415.21094, 5221.9253)(416.21454, 1463.6863)(417.21658, 609.01855)(432.23782, 2926.2896)(433.24078, 1143.6974)(434.2426, 528.32)(437.19318, 6436.8613)(438.1962, 1658.11)(439.19922, 517.2089) 72 414.2037 Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate + 10.542064 + 472.2568@10.515957 10.515957 (473.26395, 1603.2596)(474.26718, 525.5575) 22 472.2568 472.2568@10.515957 + 150.0888@10.526319 10.526319 (151.09604, 2578.891) 59 150.0888 150.0888@10.526319 + Prostaglandin D1 Alcohol 10.530775 Prostaglandin D1 Alcohol [ C20 H36 O4, mfg=82.63, db=82.53, overall=82.58, METLIN ID=45415 ] (341.26804, 2291.7805)(342.27145, 552.6055) 58 340.2606 Prostaglandin D1 Alcohol + 13,14-dihydro Prostaglandin F1? 10.526692 13,14-dihydro Prostaglandin F1? [ C20 H38 O5, mfg=45.97, db=93.61, overall=69.79, CAS ID=20592-20-5, METLIN ID=45617 ] 20592-20-5 (376.30652, 181617.75)(377.30887, 32880.44)(378.3111, 4210.207)(379.31354, 351.85086) 73 375.2991 13,14-dihydro Prostaglandin F1? + 208.1823@10.526134 10.526134 (209.18945, 1002.7294)(191.17903, 6006.364)(192.18227, 903.6548) 40 208.1823 208.1823@10.526134 + 534.247@10.519255 10.519255 (535.2542, 2064.289)(536.2574, 692.57715) 32 534.247 534.247@10.519255 + 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10.527603 10.527603 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid [ C20 H38 O5, mfg=47.56, db=98.41, overall=72.98, METLIN ID=35498 ] (381.261, 9795.192)(382.26395, 2037.7102)(383.26675, 458.89496) 73 380.2536 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10.527603 + 565.3169@10.538936 10.538936 (566.3235, 2387.494)(567.3265, 785.2083) 18 565.3169 565.3169@10.538936 + Lys Lys Lys + 10.543157 10.543157 Lys Lys Lys [ C18 H38 N6 O4, mfg=45.45, db=83.36, overall=64.40, METLIN ID=18451 ] (420.32834, 3985.4365)(421.33197, 1030.0366)(422.336, 447.12) 67 419.3224 Lys Lys Lys + 10.543157 + 336.2271@10.538029 10.538029 (337.23438, 2779.2485)(338.23795, 585.5638) 61 336.2271 336.2271@10.538029 + 541.3158@10.547063 10.547063 (542.3232, 20625.645)(543.3264, 6009.184)(544.3286, 2523.22)(545.33105, 553.49335)(564.30457, 4529.255)(565.30804, 1722.2666) 19 541.3158 541.3158@10.547063 + 190.1717@10.572551 10.572551 (191.17892, 4443.326)(192.18236, 694.39246) 8 190.1717 190.1717@10.572551 + 103.0993@10.580007 10.580007 (104.10676, 1710.6262) 13 103.0993 103.0993@10.580007 + 517.3166@10.58525 10.58525 (518.32385, 27083.56)(519.32666, 6591.552)(520.3295, 1379.473)(521.3318, 331.18887)(540.30505, 2564.656)(541.3084, 1233.8966) 69 517.3166 517.3166@10.58525 + 505.3146@10.576433 10.576433 (506.32306, 1302.324)(507.32578, 430.12668) 10 505.3146 505.3146@10.576433 + 252.2083@10.572273 10.572273 (253.2157, 1381.758)(254.21848, 375.16748) 41 252.2083 252.2083@10.572273 + 493.3166@10.588668 10.588668 (494.32373, 6898.206)(495.32663, 1978.0321)(496.33014, 1032.1062)(497.3322, 382.66)(516.3052, 1461.5438)(517.3084, 1764.77)(518.3194, 1111.79) 47 493.3166 493.3166@10.588668 + 381.2616@10.607668 10.607668 (382.2688, 1557.4951)(383.273, 413.66) 2 381.2616 381.2616@10.607668 + 850.3894@10.614 10.614 (851.3966, 6057.38)(852.3997, 2928.99)(853.4024, 922.61) 1 850.3894 850.3894@10.614 + 472.2562@10.618668 10.618668 (473.26324, 1201.785) 2 472.2562 472.2562@10.618668 + 439.3287@10.620724 10.620724 (440.3363, 1467.3601)(441.33746, 493.31) 2 439.3287 439.3287@10.620724 + 331.2718@10.624568 10.624568 (332.27908, 3359.9514)(333.28232, 731.5865) 66 331.2718 331.2718@10.624568 + 336.2271@10.628544 10.628544 (337.23434, 3091.8647)(338.23767, 654.2644) 72 336.2271 336.2271@10.628544 + 511.3269@10.646724 10.646724 (512.334, 8019.6343)(513.33716, 2052.6108)(514.33795, 729.905)(494.3234, 1029.303)(495.3264, 411.125)(534.31555, 709.096)(535.3135, 439.1) 66 511.3269 511.3269@10.646724 + 414.2038@10.647604 10.647604 (851.39594, 1756.2776)(852.39886, 1078.3673)(853.40155, 627.33405)(415.21085, 2007.9985)(416.21445, 857.4239)(417.21857, 397.66998)(432.2398, 421.29)(437.1931, 2410.2156)(438.19617, 732.9532) 58 414.2038 414.2038@10.647604 + 543.3305@10.715 10.715 (544.3378, 2251.58)(545.3414, 854.74) 1 543.3305 543.3305@10.715 + 395.3029@10.717317 10.717317 (396.31027, 3729.4827)(397.3132, 973.6904) 31 395.3029 395.3029@10.717317 + PE(19:1(9Z)/0:0) + 10.729481 10.729481 PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=96.67, overall=48.34, Lipid ID=LMGP02050019, METLIN ID=77685 ] (987.63837, 2473.3018)(988.6415, 1514.6722)(989.64453, 915.98)(1009.61975, 2310.9146)(1010.6236, 1313.3606)(1011.6289, 715.655)(494.32434, 106711.96)(495.3273, 24510.857)(496.32983, 3834.6685)(497.33228, 801.6)(516.30524, 6088.872)(517.30835, 2068.7405)(518.3201, 1329.3276)(519.3246, 406.67752) 73 493.3164 PE(19:1(9Z)/0:0) + 10.729481 + LMGP02050019 531.2718@10.732686 10.732686 (532.2792, 1317.024)(533.2832, 364.49402) 5 531.2718 531.2718@10.732686 + 103.0995@10.727314 10.727314 (104.106735, 3090.308) 25 103.0995 103.0995@10.727314 + 453.3206@10.726586 10.726586 (454.3283, 2106.837)(455.3314, 596.05804)(476.31192, 450.80878) 26 453.3206 453.3206@10.726586 + 436.1857@10.78481 10.78481 (437.19296, 2241.771)(438.19635, 650.15125) 9 436.1857 436.1857@10.78481 + 481.3161@10.772817 10.772817 (482.32352, 3711.736)(483.327, 1025.4828)(484.3297, 423.09)(504.3052, 689.21) 45 481.3161 481.3161@10.772817 + PE(19:1(9Z)/0:0) + 10.803823 10.803823 PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=95.35, overall=47.68, Lipid ID=LMGP02050019, METLIN ID=77685 ] (987.6377, 975.5129)(988.6403, 735.61)(1009.62036, 530.8033)(494.32397, 52045.88)(495.32672, 11564.952)(496.32993, 2160.2307)(497.33197, 412.83896)(516.30536, 5721.552)(517.3082, 1886.9127)(518.31726, 694.69995) 62 493.3164 PE(19:1(9Z)/0:0) + 10.803823 + LMGP02050019 525.2851@10.801094 10.801094 (1051.5752, 996.95166)(1052.5786, 732.9283)(526.2923, 16095.942)(527.2952, 4248.215)(528.2983, 1224.0537)(529.29913, 351.87668)(548.2733, 823.8658)(549.2789, 374.1367) 67 525.2851 525.2851@10.801094 + 589.3137@10.858527 10.858527 (590.3209, 9303.554)(591.3239, 2848.7695)(592.32654, 570.02875) 16 589.3137 589.3137@10.858527 + 593.3275@10.837869 10.837869 (594.33545, 1160.8586)(595.3341, 455.24927) 14 593.3275 593.3275@10.837869 + 567.3329@10.847806 10.847806 (1135.6692, 6833.554)(1136.6727, 4926.2925)(1137.6753, 2423.1711)(1138.678, 939.06866)(1139.6796, 366.79)(1157.6506, 1254.0781)(1158.6536, 915.8505)(1159.6567, 480.21835)(568.34033, 195660.9)(569.34326, 56991.02)(570.3452, 9604.125)(571.3478, 1547.5742)(572.35016, 336.48575)(590.3208, 6494.849)(591.3241, 2101.7388)(592.3267, 532.29535) 70 567.3329 567.3329@10.847806 + 1044.6165@10.870826 10.870826 (1045.6233, 2557.8853)(1046.6252, 1489.6075)(1047.6289, 620.7033) 4 1044.6165 1044.6165@10.870826 + 477.285@10.845288 10.845288 (478.29227, 7146.4053)(479.29517, 1789.7997)(480.29846, 590.9171)(500.2755, 424.21) 59 477.285 477.285@10.845288 + 1060.6447@10.886707 10.886707 (1061.6517, 3159.7788)(1062.6555, 2028.4739)(1063.6578, 573.78) 8 1060.6447 1060.6447@10.886707 + 1182.4977@10.978785 10.978785 (1183.5056, 1994.8701)(1184.5093, 1495.6975)(1185.512, 586.29755) 4 1182.4977 1182.4977@10.978785 + 615.1687@10.869333 10.869333 (616.1758, 5283.959)(617.17847, 2023.2098)(618.18085, 937.33093)(619.1797, 142.25) 30 615.1687 615.1687@10.869333 + 519.3336@10.903634 10.903634 (1039.6713, 53944.24)(1040.6747, 28372.557)(1041.677, 8440.168)(1042.6786, 2127.6611)(1043.6808, 442.2573)(1061.6519, 3029.5942)(1062.6549, 1950.5693)(1063.666, 1997.7615)(1064.6708, 1038.9653)(1065.6737, 419.51285)(520.3408, 697585.0)(521.34393, 191208.27)(522.3458, 28314.62)(523.3479, 3542.9546)(524.35095, 445.69104)(542.32117, 6501.5957)(543.32434, 1932.2505) 74 519.3336 519.3336@10.903634 + 183.0658@10.922 10.922 (184.0731, 1018.04) 1 183.0658 183.0658@10.922 + 1062.6635@10.899818 10.899818 (1063.6707, 25789.389)(1064.6743, 17402.463)(1065.6761, 5035.116)(1066.6564, 2238.6707)(1067.644, 685.3982)(1085.6511, 1703.964)(1086.6544, 1082.4122)(1087.6667, 2031.1714)(1088.6709, 1083.277)(1089.6729, 418.82666) 31 1062.6635 1062.6635@10.899818 + 543.3338@10.908252 10.908252 (1087.6691, 4129.243)(1088.6721, 2808.665)(1089.6735, 1150.7333)(1109.6499, 432.29248)(544.34033, 159329.97)(545.34326, 42073.58)(546.3435, 8235.827)(547.3431, 1404.9839)(548.34564, 218.72002)(566.3206, 1893.0662)(567.3243, 612.73145) 74 543.3338 543.3338@10.908252 + 1077.6237@10.905814 10.905814 (1078.6302, 1239.8427)(1079.6321, 519.3745) 11 1077.6237 1077.6237@10.905814 + 1060.6453@10.982138 10.982138 (1061.6519, 4426.0444)(1062.6548, 2653.286)(1063.6677, 5436.73)(1064.6729, 2708.8252)(1065.6774, 1142.89) 9 1060.6453 1060.6453@10.982138 + 414.2038@10.904568 10.904568 (415.211, 1696.8196)(416.2147, 527.8486)(437.19296, 1399.5785)(438.19583, 518.48) 20 414.2038 414.2038@10.904568 + 1134.4998@10.90108 10.90108 (1135.5068, 3782.2737)(1136.51, 2555.194)(1137.5125, 1012.1667)(1138.5171, 614.2834) 17 1134.4998 1134.4998@10.90108 + 1068.6154@11.01344 11.01344 (1069.6227, 4576.4424)(1070.626, 2682.804)(1071.6311, 1338.8628)(1072.634, 428.82)(1091.6049, 537.4925) 12 1068.6154 1068.6154@11.01344 + 615.1684@10.964 10.964 (616.1757, 1396.33)(617.1776, 624.8) 1 615.1684 615.1684@10.964 + 565.3138@10.919409 10.919409 (566.3208, 2180.452)(567.32446, 695.7397) 56 565.3138 565.3138@10.919409 + 1044.6158@10.974905 10.974905 (1045.6226, 2398.7063)(1046.6255, 1409.6694)(1047.6317, 658.54083)(1067.6067, 542.95)(1068.6077, 417.5)(1069.6178, 743.01)(1070.6252, 316.39) 18 1044.6158 1044.6158@10.974905 + 493.3162@10.949891 10.949891 (494.32336, 6419.799)(495.32645, 1647.6788)(496.33292, 771.4825)(516.3045, 997.64667) 16 493.3162 493.3162@10.949891 + C16 H37 N12 O8 10.951907 [ C16 H37 N12 O8, mfg=97.21, overall=48.60 ] (1051.5758, 3050.18)(1052.5793, 2144.4773)(1053.5847, 1069.2737)(1054.5863, 349.78665)(526.29266, 41397.496)(527.29565, 10619.446)(528.29877, 2154.426)(529.3014, 585.21686)(548.2743, 935.2885)(549.27734, 439.78998) 72 525.2855 C16 H37 N12 O8 + 541.314@10.911751 10.911751 (542.3211, 7547.58)(543.32416, 2061.8313) 31 541.314 541.314@10.911751 + 1092.6139@10.976925 10.976925 (1093.6222, 1990.2133)(1094.6254, 1276.855)(1095.6304, 624.746) 12 1092.6139 1092.6139@10.976925 + 589.3139@10.990132 10.990132 (590.32117, 10342.552)(591.32416, 3176.225)(592.3271, 647.61304) 30 589.3139 589.3139@10.990132 + 1111.6624@11.014 11.014 (1112.6696, 1788.84)(1113.6757, 635.47) 1 1111.6624 1111.6624@11.014 + C20 H39 N16 O4 11.0037985 [ C20 H39 N16 O4, mfg=97.36, overall=97.36 ] (1135.6702, 34646.605)(1136.6736, 23342.947)(1137.676, 7294.8276)(1138.6709, 2160.3232)(1139.67, 677.89386)(1157.6512, 2906.492)(1158.654, 2033.0505)(1159.6564, 769.42194)(568.3407, 558074.94)(569.3439, 174510.66)(570.34607, 29852.64)(571.34796, 3703.3733)(572.3508, 530.7927)(590.321, 10316.609)(591.3241, 3106.2632)(592.32666, 660.69525) 74 567.3335 C20 H39 N16 O4 + 1048.6462@11.015114 11.015114 (1049.6542, 5990.8247)(1050.657, 3433.1724)(1051.6602, 1077.7112) 8 1048.6462 1048.6462@11.015114 + PE(18:0/0:0) 11.020047 PE(18:0/0:0) [ C23 H48 N O7 P, db=96.28, overall=48.14, Lipid ID=LMGP02050001, METLIN ID=40775 ] (963.6367, 523.884)(482.32394, 30780.383)(483.327, 6707.0005)(484.32928, 1364.429)(485.3319, 292.23334) 72 481.3166 PE(18:0/0:0) + LMGP02050001 1000.6471@11.042 11.042 (1001.6544, 1568.68)(1002.6527, 837.94) 1 1000.6471 1000.6471@11.042 + Fexofenadine 11.028918 C06999 Fexofenadine [ C32 H39 N O4, mfg=69.64, db=69.63, overall=69.63, CAS ID=83799-24-0, KEGG ID=C06999, HMP ID=HMDB05030, METLIN ID=2766 ] 83799-24-0 (1003.57697, 1617.8793)(1004.5791, 980.0328)(1005.5833, 566.182)(502.29263, 26045.412)(503.29544, 6244.0967)(504.30258, 2232.6633)(505.30576, 441.917)(524.2744, 526.40625) 69 501.2851 Fexofenadine HMDB05030 + 415.3292@11.010038 11.010038 (416.33636, 1643.0862)(417.3401, 466.21997) 8 415.3292 415.3292@11.010038 + 541.314@11.116251 11.116251 (542.3211, 11041.71)(543.32434, 2961.853) 16 541.314 541.314@11.116251 + 493.3159@11.046199 11.046199 (494.3232, 3565.614)(495.32648, 1076.5671)(496.3324, 500.2311) 37 493.3159 493.3159@11.046199 + LysoPE(0:0/18:2(9Z,12Z)) 11.047896 LysoPE(0:0/18:2(9Z,12Z)) [ C23 H44 N O7 P, db=90.13, overall=45.06, HMP ID=HMDB11477, METLIN ID=62265 ] (955.57574, 1154.2981)(956.5795, 852.1889)(478.29257, 22752.877)(479.29547, 5015.67)(480.3062, 1307.8688)(481.3233, 264.36)(500.27423, 557.3603) 67 477.2852 LysoPE(0:0/18:2(9Z,12Z)) HMDB11477 + 1024.6445@11.076 11.076 (1025.6519, 1285.7)(1026.6597, 626.93) 1 1024.6445 1024.6445@11.076 + 1020.6156@11.057561 11.057561 (1021.6231, 4074.3213)(1022.62665, 2236.126)(1023.6297, 897.245) 12 1020.6156 1020.6156@11.057561 + 565.3138@11.090301 11.090301 (566.3208, 7035.6133)(567.3243, 2085.2505) 61 565.3138 565.3138@11.090301 + 371.3034@11.073217 11.073217 (372.3104, 5509.4873)(373.31375, 1402.3555)(374.31635, 513.766) 65 371.3034 371.3034@11.073217 + 543.3339@11.076848 11.076848 (1087.6708, 37787.695)(1088.6738, 22553.492)(1089.676, 6553.6436)(1090.6665, 2091.7715)(1091.6697, 527.1577)(1109.6509, 2179.6145)(1110.6543, 1375.7733)(1111.665, 1973.918)(1112.6705, 1129.8734)(1113.6713, 506.82666)(544.3407, 600953.0)(545.34393, 176667.66)(546.34564, 27844.865)(547.34705, 3543.4028)(548.3495, 479.173)(566.3211, 3343.237)(567.3245, 972.47) 71 543.3339 543.3339@11.076848 + 507.3326@11.086246 11.086246 (508.3394, 1630.9401)(509.34225, 530.32495) 3 507.3326 507.3326@11.086246 + 527.3003@11.17592 11.17592 (528.3077, 2275.1675)(529.3114, 690.4487) 8 527.3003 527.3003@11.17592 + 1062.665@11.086661 11.086661 (1063.6711, 52502.336)(1064.6748, 28185.574)(1065.6764, 7845.1016)(1066.6727, 2996.0994)(1067.6754, 628.44696)(1085.6509, 1975.1866)(1086.6544, 1310.776) 61 1062.665 1062.665@11.086661 + 1038.6663@11.104242 11.104242 (1039.6731, 200428.83)(1040.6758, 110158.9)(1041.678, 30420.326)(1042.6796, 5923.1104)(1043.6818, 1143.5052)(1044.6859, 221.33)(1061.6509, 2021.0549)(1062.6527, 1267.35)(1063.6653, 1027.775) 65 1038.6663 1038.6663@11.104242 + 519.3332@11.105189 11.105189 (1039.6735, 265297.1)(1040.6763, 148441.73)(1041.6782, 41368.74)(1042.6796, 7903.2134)(1043.6825, 1242.4701)(1044.6844, 311.72)(1061.6522, 6192.4707)(1062.6549, 3628.0808)(1063.6675, 4224.6396)(1064.6722, 1938.34)(1065.6759, 549.35)(520.3404, 1903256.0)(521.3444, 542499.25)(522.3468, 87690.23)(523.3483, 9825.158)(524.35187, 1072.8647)(542.32135, 7802.9824)(543.3246, 2110.2124) 74 519.3332 519.3332@11.105189 + 469.3606@11.137181 11.137181 (470.36838, 1951.097)(471.371, 557.8333) 7 469.3606 469.3606@11.137181 + 337.2824@11.121074 11.121074 (338.2897, 2228.074)(339.29233, 471.42252) 36 337.2824 337.2824@11.121074 + 425.3347@11.144407 11.144407 (426.34192, 2434.4678)(427.34448, 604.60144) 8 425.3347 425.3347@11.144407 + 381.3084@11.137848 11.137848 (382.31564, 1949.8285)(383.31863, 537.26996) 21 381.3084 381.3084@11.137848 + 1088.6768@11.13062 11.13062 (1089.6823, 2451.0989)(1090.6824, 1370.6799)(1091.6792, 711.3775)(1111.6649, 383.69) 7 1088.6768 1088.6768@11.13062 + C26 H53 N2 O9 S 11.137659 [ C26 H53 N2 O9 S, mfg=92.17, overall=92.17 ] (570.3539, 8096.143)(571.35736, 2405.9558)(572.3603, 1061.9937)(592.33575, 2025.82)(593.33936, 637.25) 38 569.3464 C26 H53 N2 O9 S + 1060.6451@11.135763 11.135763 (1061.6521, 5681.65)(1062.6554, 3331.1973)(1063.6667, 3809.026)(1064.6711, 2519.23)(1065.6758, 749.92) 45 1060.6451 1060.6451@11.135763 + 299.2819@11.167856 11.167856 (300.28912, 2482.3025)(301.29257, 535.33) 4 299.2819 299.2819@11.167856 + 541.3139@11.171373 11.171373 (542.3212, 11662.687)(543.3243, 3142.1785) 54 541.3139 541.3139@11.171373 + 561.3419@11.229221 11.229221 (562.34937, 1417.5825)(563.35205, 495.8325) 4 561.3419 561.3419@11.229221 + 545.3477@11.25011 11.25011 (546.3547, 41107.098)(547.35767, 10733.937)(548.36035, 2073.2666)(549.364, 322.2825)(568.33685, 2824.5244)(569.3405, 1078.295) 10 545.3477 545.3477@11.25011 + 503.3@11.259153 11.259153 (504.30756, 1704.655)(505.3114, 520.83) 2 503.3 503.3@11.259153 + C19 H45 N12 O8 11.289713 [ C19 H45 N12 O8, mfg=97.09, overall=97.09 ] (1139.696, 471.72)(570.355, 28151.219)(571.3581, 8100.931)(572.36005, 1972.696)(573.36096, 532.64355)(592.33624, 2314.9802)(593.33966, 1059.1733) 68 569.3478 C19 H45 N12 O8 + Gymnodimine 11.296145 C20025 Gymnodimine [ C32 H45 N O4, mfg=72.33, db=72.36, overall=72.35, CAS ID=173792-58-0, KEGG ID=C20025, METLIN ID=73510 ] 173792-58-0 (508.3392, 9231.199)(509.34216, 2421.8342)(510.34482, 749.9723)(530.3206, 1166.0018)(531.3239, 434.69452) 68 507.3321 Gymnodimine + 441.3446@11.304824 11.304824 (442.352, 2494.7427)(443.35516, 706.79126) 25 441.3446 441.3446@11.304824 + 1064.6788@11.328 11.328 (1065.6862, 1536.52)(1066.6858, 998.37)(1087.6678, 670.82)(1088.6683, 407.91) 1 1064.6788 1064.6788@11.328 + C17 H45 N12 O8 11.318038 [ C17 H45 N12 O8, mfg=97.67, overall=97.67 ] (1091.699, 1545.2019)(1092.7042, 1847.6599)(1093.7075, 962.52)(1113.6818, 803.97205)(1114.6863, 773.74)(1115.6951, 947.07)(1116.7018, 630.75)(546.3551, 41353.68)(547.35803, 11015.295)(548.36053, 2267.2236)(549.3639, 613.7726)(568.33716, 3069.7866)(569.3406, 1168.6597) 63 545.3479 C17 H45 N12 O8 + 453.285@11.310129 11.310129 (907.578, 573.31)(454.29218, 5300.7544)(455.2953, 1209.8726)(456.29785, 815.37)(476.27505, 1156.995) 31 453.285 453.285@11.310129 + 315.3136@11.339 11.339 (316.3209, 2330.49)(317.3237, 503.05) 1 315.3136 315.3136@11.339 + 467.3369@11.337951 11.337951 (468.34393, 1658.1172)(469.34628, 515.14667) 7 467.3369 467.3369@11.337951 + 238.1562@11.338409 11.338409 (239.16304, 3767.9905)(240.16647, 633.08875) 16 238.1562 238.1562@11.338409 + 1002.6589@11.36564 11.36564 (1003.6625, 1176.2213)(1004.6671, 488.34622) 8 1002.6589 1002.6589@11.36564 + 990.6671@11.445337 11.445337 (991.67365, 318932.47)(992.6768, 176868.53)(993.67865, 46927.902)(994.6802, 9125.485)(995.6822, 1342.2134)(996.6884, 122.47)(1013.6528, 2379.75)(1014.6566, 1331.56) 14 990.6671 990.6671@11.445337 + 495.3335@11.364506 11.364506 (991.6709, 23977.576)(992.674, 12335.149)(993.67664, 4359.644)(994.67834, 1289.232)(1013.6524, 7237.7236)(1014.65546, 3715.534)(1015.6616, 1682.8075)(1016.6675, 632.06744)(1017.6714, 217.25835)(496.3408, 686559.3)(497.3439, 174740.5)(498.3456, 24738.39)(499.3479, 3088.8066)(500.34988, 403.48608)(518.3213, 10306.045)(519.3244, 2545.4678) 74 495.3335 495.3335@11.364506 + 477.3215@11.437792 11.437792 (478.32858, 1202.3883)(479.3317, 412.94336) 11 477.3215 477.3215@11.437792 + 1017.6258@11.362673 11.362673 (1018.6327, 2544.4185)(1019.6367, 865.8831) 19 1017.6258 1017.6258@11.362673 + 1017.1238@11.390236 11.390236 (1018.1304, 1897.7798)(1019.1326, 1642.29)(1020.13464, 393.15) 19 1017.1238 1017.1238@11.390236 + 1012.6453@11.429875 11.429875 (1013.65265, 8214.205)(1014.6556, 4273.573)(1015.6629, 2224.26)(1016.6667, 765.778)(1017.6715, 301.70752) 10 1012.6453 1012.6453@11.429875 + 505.3529@11.376131 11.376131 (506.35956, 1483.2395)(507.3629, 500.01587) 17 505.3529 505.3529@11.376131 + 545.3488@11.424462 11.424462 (1091.7001, 1796.864)(1092.7035, 1494.0865)(1093.6997, 1031.77)(1113.682, 1219.0115)(1114.685, 1225.2533)(1115.6871, 641.83)(546.3559, 140791.08)(547.35876, 36552.953)(548.3604, 6024.919)(549.3643, 879.55505)(568.33673, 8037.6934)(569.33997, 2511.6465)(570.3507, 876.5513) 18 545.3488 545.3488@11.424462 + 479.3367@11.400197 11.400197 (480.344, 1795.6814)(481.34695, 615.77747) 7 479.3367 479.3367@11.400197 + 397.3189@11.387115 11.387115 (398.32587, 5305.1064)(399.329, 1373.5157)(400.3313, 610.23193) 51 397.3189 397.3189@11.387115 + 517.3139@11.3822155 11.3822155 (518.3212, 12213.65)(519.32434, 2990.5852)(520.3355, 1475.6) 21 517.3139 517.3139@11.3822155 + 569.3471@11.447322 11.447322 (570.3543, 3232.4688)(571.3578, 1064.387)(572.3585, 1151.75)(592.3386, 618.64) 19 569.3471 569.3471@11.447322 + 503.3011@11.425928 11.425928 (504.30792, 3008.986)(505.31128, 859.74133) 8 503.3011 503.3011@11.425928 + 301.2975@11.48 11.48 (302.3048, 2292.68) 1 301.2975 301.2975@11.48 + 1040.6786@11.487787 11.487787 (1041.6847, 2572.14)(1042.6875, 1581.24)(1043.6895, 843.36)(1063.6683, 1350.13)(1064.6715, 750.4)(1065.6794, 708.03) 4 1040.6786 1040.6786@11.487787 + 103.0996@11.576948 11.576948 (104.10685, 3052.6438) 30 103.0996 103.0996@11.576948 + C17 H45 N12 O8 + 11.486165 11.486165 [ C17 H45 N12 O8, mfg=97.84, overall=97.84 ] (1091.7003, 5335.65)(1092.704, 3698.1333)(1093.7008, 1850.6016)(1094.7018, 535.6233)(1113.6829, 2108.294)(1114.6857, 1371.4329)(1115.6879, 718.4786)(546.3558, 144649.17)(547.3586, 38631.85)(548.3609, 6494.441)(549.36365, 1250.7444)(550.3646, 183.095)(568.3366, 6455.2236)(569.33984, 2216.7917)(570.34796, 674.7946) 60 545.3491 C17 H45 N12 O8 + 11.486165 + 511.3623@11.52924 11.52924 (512.3696, 1260.685)(513.3728, 428.005) 2 511.3623 511.3623@11.52924 + 998.6323@11.534239 11.534239 (999.63885, 1291.63)(1000.6416, 736.6)(1021.6218, 599.02) 2 998.6323 998.6323@11.534239 + 453.2852@11.515643 11.515643 (907.57635, 1683.0995)(908.57935, 1123.27)(909.5796, 974.65)(929.55963, 429.365)(454.2927, 19602.406)(455.2952, 4007.8281)(456.2981, 1072.6263)(457.3033, 422.17)(476.27505, 919.7886)(477.27734, 389.28) 57 453.2852 453.2852@11.515643 + 257.2717@11.535705 11.535705 (258.27847, 1420.7567)(259.2819, 320.64) 3 257.2717 257.2717@11.535705 + 948.6141@11.538534 11.538534 (949.62317, 3543.4077)(950.62616, 1817.0125)(951.6293, 810.325)(971.6048, 825.5267) 8 948.6141 948.6141@11.538534 + 569.3471@11.554451 11.554451 (570.35455, 2624.2246)(571.358, 908.46027) 34 569.3471 569.3471@11.554451 + 479.3003@11.607421 11.607421 (480.3082, 4574.9424)(481.31168, 1348.2533)(482.32376, 454.81998) 8 479.3003 479.3003@11.607421 + 495.3334@11.5665865 11.5665865 (991.6745, 690271.0)(992.67786, 369544.25)(993.6797, 103843.24)(994.6811, 18717.076)(995.68243, 2654.3752)(996.68195, 284.93002)(1013.6528, 9694.051)(1014.6553, 4850.9175)(1015.659, 1506.0482)(1016.6621, 324.70624)(496.34033, 2733830.8)(497.34454, 734966.25)(498.34708, 115532.3)(499.34845, 12515.393)(500.35083, 1164.9233)(518.3215, 13507.703)(519.32446, 3248.9675)(520.3302, 545.08997) 74 495.3334 495.3334@11.5665865 + 453.2852@11.607926 11.607926 (454.29248, 1713.9681)(455.29572, 421.612) 5 453.2852 453.2852@11.607926 + 1016.68@11.597078 11.597078 (1017.68677, 24122.959)(1018.68445, 15418.155)(1019.68665, 4244.821)(1020.69293, 1033.7604)(1021.6974, 507.11)(1039.6659, 1337.2583)(1040.6696, 802.43414)(1041.676, 485.175) 61 1016.68 1016.68@11.597078 + 521.3493@11.605793 11.605793 (1043.6991, 1997.5128)(1044.6953, 1637.0308)(1045.6997, 865.11005)(1065.6826, 407.0)(522.3561, 157545.5)(523.35876, 38319.43)(524.361, 6108.133)(525.3636, 943.87415)(526.3703, 230.52)(544.33673, 1488.7861)(545.3398, 490.2825)(546.3521, 425.91498) 73 521.3493 521.3493@11.605793 + 423.3347@11.615638 11.615638 (424.34174, 10295.555)(425.34494, 2633.4775)(426.3478, 733.1456) 69 423.3347 423.3347@11.615638 + 539.3583@11.669498 11.669498 (540.3654, 10642.222)(541.3678, 2862.683)(542.3697, 689.3915)(562.3444, 519.83606) 10 539.3583 539.3583@11.669498 + 1038.6595@11.604202 11.604202 (1039.6667, 1951.7257)(1040.6694, 1097.3225)(1041.677, 609.27325)(1042.6807, 288.38) 44 1038.6595 1038.6595@11.604202 + 990.6665@11.589417 11.589417 (991.6733, 225400.69)(992.6763, 126108.164)(993.6786, 35227.984)(994.6799, 6697.6543)(995.6819, 1089.9456)(996.684, 178.97)(1013.6522, 7145.589)(1014.6554, 3649.4885)(1015.6602, 1642.2063)(1016.6646, 561.53107) 55 990.6665 990.6665@11.589417 + 595.3481@11.66249 11.66249 (596.3654, 4926.197)(597.369, 1502.7812)(598.3615, 1004.11005) 15 595.3481 595.3481@11.66249 + 533.2881@11.6369095 11.6369095 (534.2954, 1474.5437)(535.29895, 453.34857)(536.2987, 306.05) 37 533.2881 533.2881@11.6369095 + 517.3142@11.640698 11.640698 (518.3218, 23522.795)(519.3244, 5476.634)(520.3346, 1982.0146)(521.3366, 947.69006) 54 517.3142 517.3142@11.640698 + 600.3266@11.693 11.693 (601.3332, 785.06)(583.3235, 1847.03)(584.328, 639.32) 1 600.3266 600.3266@11.693 + 571.3626@11.673214 11.673214 (572.371, 3018.711)(573.37396, 1003.5801)(574.37823, 533.3667) 25 571.3626 571.3626@11.673214 + 545.3475@11.689948 11.689948 (546.3543, 4435.0864)(547.35754, 1463.3154)(548.358, 269.65997)(568.3387, 523.8144) 28 545.3475 545.3475@11.689948 + 974.6308@11.724203 11.724203 (975.63824, 1551.4951)(976.6421, 865.04004)(977.6464, 428.0) 4 974.6308 974.6308@11.724203 + 1038.6594@11.723146 11.723146 (1039.6664, 1354.2611)(1040.6696, 807.394)(1041.6771, 638.88495)(1042.6814, 299.49) 20 1038.6594 1038.6594@11.723146 + 609.3642@11.73407 11.73407 (610.3705, 13991.229)(611.3747, 4027.6743)(612.376, 1303.91)(632.3553, 1101.0) 5 609.3642 609.3642@11.73407 + 479.3006@11.726207 11.726207 (959.6079, 579.205)(480.30814, 9952.314)(481.31097, 2368.2253)(482.3219, 1021.6306)(502.2892, 399.486) 54 479.3006 479.3006@11.726207 + 395.3235@11.734872 11.734872 (396.33096, 1499.6858)(397.334, 522.29333) 21 395.3235 395.3235@11.734872 + 1000.6468@11.74789 11.74789 (1001.6538, 2704.7869)(1002.657, 1460.2999)(1003.6632, 809.125)(1023.6392, 566.92)(1024.6373, 555.72) 3 1000.6468 1000.6468@11.74789 + 509.3477@11.761763 11.761763 (510.35486, 5993.8936)(511.35806, 1578.6357)(512.361, 613.37335)(532.33716, 743.7557) 18 509.3477 509.3477@11.761763 + 1016.6786@11.747597 11.747597 (1017.6859, 5516.2705)(1018.68896, 2892.069)(1019.6913, 1107.6545)(1020.6924, 313.09634) 49 1016.6786 1016.6786@11.747597 + 539.3587@11.753173 11.753173 (540.3652, 7778.6323)(541.3671, 2208.0625)(542.3704, 760.92584)(562.3445, 503.40103) 56 539.3587 539.3587@11.753173 + 409.2596@11.772466 11.772466 (410.2665, 1892.13)(411.27084, 440.05002) 3 409.2596 409.2596@11.772466 + 1042.6981@11.770904 11.770904 (1043.7037, 117312.78)(1044.7065, 63770.984)(1045.7086, 17710.887)(1046.7108, 4390.9375)(1047.7131, 862.6875)(1065.6826, 3660.9219)(1066.686, 2107.8662)(1067.6891, 723.201) 36 1042.6981 1042.6981@11.770904 + 521.349@11.770339 11.770339 (1043.7041, 140344.7)(1044.7074, 84092.66)(1045.7092, 22176.361)(1046.7104, 4346.478)(1047.7134, 767.27496)(1065.6835, 5611.928)(1066.6865, 3173.4968)(1067.6897, 1026.3418)(1068.6901, 163.3)(522.35645, 1028330.2)(523.3599, 286111.3)(524.36206, 43616.184)(525.3639, 5304.4395)(526.36615, 557.5287)(544.3368, 10680.181)(545.3399, 2822.7996)(546.345, 607.59454) 74 521.349 521.349@11.770339 + 437.2905@11.804251 11.804251 (438.29785, 2237.305)(439.30145, 591.15) 2 437.2905 437.2905@11.804251 + 1064.6758@11.78838 11.78838 (1065.6835, 5114.1353)(1066.686, 2892.7666)(1067.6902, 1026.5734)(1068.693, 157.22333) 12 1064.6758 1064.6758@11.78838 + 571.3634@11.799823 11.799823 (572.3704, 4349.5986)(573.3735, 1416.4786)(574.3758, 601.41364) 46 571.3634 571.3634@11.799823 + 649.3944@11.82853 11.82853 (650.4019, 8442.065)(651.4053, 2814.0288)(652.4033, 1284.7032)(653.4025, 458.2)(672.3874, 1263.46)(673.3934, 503.2) 7 649.3944 649.3944@11.82853 + 547.3623@11.81137 11.81137 (548.36957, 8441.319)(549.37286, 2491.5461)(550.3744, 864.46313)(570.35187, 759.025)(571.3556, 1486.88) 61 547.3623 547.3623@11.81137 + 1000.6774@11.839 11.839 (1001.6846, 1024.47)(1002.6888, 565.49) 1 1000.6774 1000.6774@11.839 + 479.3355@11.811582 11.811582 (480.34296, 3717.6763)(481.34644, 1064.6921) 46 479.3355 479.3355@11.811582 + 496.3357@11.852 11.852 (497.343, 12589.8)(498.3466, 2273.65)(499.3469, 413.21) 1 496.3357 496.3357@11.852 + 543.3297@11.795809 11.795809 (544.3369, 11932.762)(545.3401, 3260.8823)(546.3469, 657.24304) 41 543.3297 543.3297@11.795809 + 1002.699@11.849758 11.849758 (1003.7059, 2146.9275)(1004.7089, 1198.6818)(1005.7042, 641.04144)(1025.6869, 942.3981)(1026.689, 545.6733) 11 1002.699 1002.699@11.849758 + 1030.692@11.8524275 11.8524275 (1031.6987, 1294.4332)(1032.7015, 762.41)(1053.6831, 442.93002) 3 1030.692 1030.692@11.8524275 + 481.353@11.853891 11.853891 (963.712, 493.88)(482.36038, 38201.55)(483.36322, 8451.387)(484.36584, 1671.16)(485.36865, 318.9682)(504.3417, 2032.5055)(505.34503, 685.0177) 70 481.353 481.353@11.853891 + 509.3477@11.860707 11.860707 (510.35507, 14336.694)(511.3579, 3534.9087)(512.3607, 1044.0278)(532.3372, 1253.5505)(533.34, 640.54) 43 509.3477 509.3477@11.860707 + 635.3803@11.832209 11.832209 (636.38654, 17181.266)(637.3899, 5388.8726)(638.395, 2420.305)(639.3997, 760.99)(658.36926, 1167.5549)(659.3752, 501.18)(660.3876, 449.29) 5 635.3803 635.3803@11.832209 + 589.373@11.875869 11.875869 (590.38074, 4929.697)(591.3841, 1543.0026)(592.38586, 844.808)(612.3635, 407.065) 31 589.373 589.373@11.875869 + 331.3246@11.930183 11.930183 (332.33115, 66568.05)(333.33414, 13876.607)(334.33774, 1880.0635)(335.3412, 202.77) 4 331.3246 331.3246@11.930183 + 509.3479@11.933564 11.933564 (1019.7005, 693.80005)(1020.7, 479.25)(1041.6832, 756.1533)(1042.6855, 463.18)(510.35535, 44214.637)(511.35815, 10186.25)(512.3606, 2497.93)(513.3634, 557.7431)(532.337, 3207.4084)(533.33954, 1236.2563)(534.34314, 459.49713) 61 509.3479 509.3479@11.933564 + 479.3365@11.91498 11.91498 (480.3437, 1753.1279)(481.34613, 557.38306) 14 479.3365 479.3365@11.91498 + 148.0155@11.951298 11.951298 (149.0229, 3356.8843)(150.0261, 559.54004) 31 148.0155 148.0155@11.951298 + 579.3538@11.95647 11.95647 (1159.7118, 2039.91)(1160.7168, 1244.65)(1161.7158, 497.25)(580.3617, 22158.438)(581.3646, 5874.475)(582.36646, 3623.5867)(583.367, 564.33)(602.342, 2551.466)(603.3452, 963.59753) 22 579.3538 579.3538@11.95647 + 366.2037@11.956457 11.956457 (367.2111, 3401.8528)(368.2146, 747.31415)(384.2376, 3251.366)(385.2414, 763.58203)(389.19315, 2235.413)(390.19623, 593.58966) 65 366.2037 366.2037@11.956457 + 689.3918@11.970762 11.970762 (690.3984, 7517.678)(691.40137, 2673.766)(692.4126, 1453.6034)(712.3852, 578.11) 5 689.3918 689.3918@11.970762 + 547.3638@11.963196 11.963196 (1095.7319, 852.6775)(1096.7314, 747.14)(1117.7139, 359.72)(548.3708, 37795.27)(549.37396, 9964.242)(550.37683, 2063.9858)(551.3794, 596.95245)(570.3521, 3466.9192)(571.35547, 1517.0001)(572.3603, 544.52905) 70 547.3638 547.3638@11.963196 + 423.3362@11.9770355 11.9770355 (424.34155, 1347.74)(425.3431, 616.41003) 5 423.3362 423.3362@11.9770355 + 495.3323@11.995 11.995 (496.3396, 19724.21)(518.3214, 1587.86)(519.3238, 573.7) 1 495.3323 495.3323@11.995 + 597.3647@11.938569 11.938569 (598.3785, 11740.05)(599.3828, 3604.8699)(600.376, 2126.46)(601.3628, 485.58)(620.3549, 1309.27) 8 597.3647 597.3647@11.938569 + 443.36@11.972717 11.972717 (444.36752, 2698.6384)(445.37073, 803.8655) 29 443.36 443.36@11.972717 + 675.411@12.001367 12.001367 (676.4176, 10530.717)(677.4207, 3647.1628)(678.42676, 3994.3054)(679.4297, 1748.2426)(698.3996, 1516.7933)(699.3956, 745.0) 10 675.411 675.411@12.001367 + 399.3348@12.002916 12.002916 (400.34198, 44488.316)(401.34503, 9627.819)(402.34775, 1726.7007)(403.35065, 269.605) 73 399.3348 399.3348@12.002916 + 703.407@12.02689 12.02689 (704.4132, 15761.137)(705.41583, 5444.818)(706.421, 1962.5641)(707.42505, 663.05)(726.3977, 1272.5325)(727.40045, 543.7) 9 703.407 703.407@12.02689 + 507.3686@12.019766 12.019766 (508.37558, 13308.843)(509.37866, 3478.932)(530.35693, 849.4517)(531.35913, 370.4725) 68 507.3686 507.3686@12.019766 + 589.3738@12.014249 12.014249 (590.3808, 5246.409)(591.3841, 1668.2628)(592.3857, 672.9508)(612.36395, 381.70248) 40 589.3738 589.3738@12.014249 + 509.3482@12.037482 12.037482 (1019.702, 2496.6448)(1020.70386, 2375.745)(1021.705, 1091.37)(1041.684, 2039.0868)(1042.6868, 1522.425)(1043.6897, 566.875)(510.35596, 110908.17)(511.3586, 25856.371)(512.3611, 4255.6245)(513.3635, 925.8364)(532.3368, 4291.6963)(533.33984, 1272.3914)(534.34344, 494.64005) 61 509.3482 509.3482@12.037482 + 567.3998@12.027571 12.027571 (568.4067, 1433.4293)(569.4105, 477.36237)(590.3812, 5971.01)(591.3833, 1962.28) 17 567.3998 567.3998@12.027571 + 529.35@12.034216 12.034216 (530.3573, 1421.6866)(531.3592, 487.9743) 9 529.35 529.35@12.034216 + 531.3298@12.031 12.031 (532.33716, 11804.43)(533.3401, 3073.7534)(534.3435, 648.3013) 8 531.3298 531.3298@12.031 + 593.3686@12.038582 12.038582 (1187.744, 1503.13)(1188.747, 945.29)(1189.7499, 404.7)(594.376, 16646.203)(595.3785, 4568.7256)(596.38165, 2630.25)(597.384, 848.6833)(616.3576, 1717.8116)(617.36066, 762.97504)(618.3671, 210.5) 27 593.3686 593.3686@12.038582 + 647.3795@12.062503 12.062503 (648.3869, 6555.8477)(649.3895, 1447.6301)(650.39795, 848.25336)(630.3722, 536.22)(670.37085, 791.6275)(671.3749, 459.25) 14 647.3795 647.3795@12.062503 + 605.3688@12.079589 12.079589 (606.37573, 15262.099)(607.37933, 4688.7544)(608.3905, 7817.1025)(609.3943, 4569.71)(610.3943, 843.025)(628.35913, 869.5325)(629.3616, 444.96) 15 605.3688 605.3688@12.079589 + 331.3242@12.093391 12.093391 (332.33136, 106915.19)(333.33426, 22780.314)(334.33664, 2374.0667)(335.3399, 479.0) 6 331.3242 331.3242@12.093391 + 401.3497@12.131424 12.131424 (402.3568, 10076.7)(403.36026, 3571.2632)(404.36353, 1012.98334) 12 401.3497 401.3497@12.131424 + 661.3947@12.129973 12.129973 (662.402, 13463.403)(663.40533, 4322.6616)(664.41125, 1918.0599)(665.41797, 908.77496)(684.38513, 1145.1742)(685.38855, 573.68)(686.4, 373.31) 15 661.3947 661.3947@12.129973 + 621.3999@12.144845 12.144845 (622.40674, 15285.877)(623.41327, 4484.5273)(644.38794, 787.8825) 8 621.3999 621.3999@12.144845 + 425.3504@12.138964 12.138964 (426.35767, 46688.67)(427.36072, 10712.428)(428.36322, 1939.2052)(429.36688, 403.0591) 72 425.3504 425.3504@12.138964 + 623.3802@12.149359 12.149359 (624.38776, 14074.52)(625.39026, 4200.96)(626.39453, 2479.7766)(627.3959, 369.43)(646.3695, 938.79504) 9 623.3802 623.3802@12.149359 + 535.3629@12.138656 12.138656 (536.37054, 3848.4668)(537.3733, 1141.3547)(538.37744, 637.79504)(558.3525, 575.05707) 41 535.3629 535.3629@12.138656 + 633.4431@12.195103 12.195103 (634.44775, 1294.1199)(635.45245, 519.4467) 4 633.4431 633.4431@12.195103 + 665.4265@12.195594 12.195594 (666.4332, 9524.702)(667.4367, 3093.1511)(668.43665, 1418.1826)(688.41486, 1690.5133)(689.4196, 715.3833) 8 665.4265 665.4265@12.195594 + 409.3394@12.208444 12.208444 (410.3468, 1942.7823)(411.3499, 709.502) 12 409.3394 409.3394@12.208444 + 573.3781@12.194826 12.194826 (574.38574, 1371.282)(575.3886, 504.41803) 5 573.3781 573.3781@12.194826 + 605.3692@12.201051 12.201051 (606.376, 30369.982)(607.37933, 9286.233)(608.38605, 1610.4943)(609.3888, 704.23)(628.35846, 1707.5999)(629.3623, 910.725)(630.3705, 440.76) 17 605.3692 605.3692@12.201051 + 365.3135@12.195071 12.195071 (366.32062, 2935.7717)(367.32394, 644.76263) 60 365.3135 365.3135@12.195071 + 729.422@12.208221 12.208221 (730.4285, 5617.902)(731.4315, 2320.48)(732.44104, 1060.91)(733.44653, 320.78) 5 729.422 729.422@12.208221 + 304.2608@12.1989355 12.1989355 (305.26782, 1574.791)(322.2947, 5360.4893)(323.29764, 1017.65356)(324.2909, 1211.32)(327.2492, 378.47) 63 304.2608 304.2608@12.1989355 + 589.4162@12.204785 12.204785 (590.4235, 1241.0511)(591.42706, 488.69498) 8 589.4162 589.4162@12.204785 + 631.3842@12.250808 12.250808 (632.3916, 5188.4385)(633.3944, 1746.945)(634.4053, 5250.98)(654.37585, 552.20496) 8 631.3842 631.3842@12.250808 + 521.3474@12.238287 12.238287 (522.3546, 2728.1)(523.35767, 861.37)(544.337, 569.5) 2 521.3474 521.3474@12.238287 + 481.3165@12.220062 12.220062 (963.63776, 630.485)(482.32446, 6533.063)(483.32767, 1657.951)(484.32928, 754.2181)(504.30646, 816.2318)(505.30826, 389.24332) 25 481.3165 481.3165@12.220062 + 501.3656@12.237068 12.237068 (502.37314, 1324.8031)(503.37656, 479.1617) 10 501.3656 501.3656@12.237068 + 743.4368@12.271043 12.271043 (744.4442, 9302.871)(745.44696, 3638.9023)(746.4531, 2410.0842)(747.4576, 1263.73) 9 743.4368 743.4368@12.271043 + 1073.6888@12.404062 12.404062 (1074.6953, 1584.29)(1075.6993, 537.7339) 18 1073.6888 1073.6888@12.404062 + 523.3651@12.266269 12.266269 (1047.7325, 26510.762)(1048.7362, 17583.318)(1049.7388, 6536.604)(1050.7411, 1790.1552)(1051.742, 483.9)(1069.714, 4290.182)(1070.7178, 2780.4666)(1071.7197, 901.2873)(524.3719, 336788.5)(525.3748, 86324.22)(526.37695, 13473.355)(527.37976, 1921.26)(528.38245, 277.09695)(546.35345, 9346.415)(547.3562, 2493.858)(548.3609, 633.47845) 74 523.3651 523.3651@12.266269 + 371.3395@12.291066 12.291066 (372.34668, 4985.993)(373.3492, 1256.7467)(374.3433, 668.97) 3 371.3395 371.3395@12.291066 + 619.3847@12.281113 12.281113 (620.39166, 19256.314)(621.39484, 6126.2993)(622.4041, 5580.0347)(623.4084, 2755.535)(624.4026, 1521.02)(642.37366, 1636.1001)(643.37744, 588.20996) 15 619.3847 619.3847@12.281113 + 549.3603@12.257199 12.257199 (550.36743, 1314.5723)(551.3623, 556.3038) 23 549.3603 549.3603@12.257199 + 581.4159@12.264876 12.264876 (582.42316, 2140.2886)(583.4261, 714.3826) 44 581.4159 581.4159@12.264876 + 451.3657@12.287708 12.287708 (452.37296, 1748.1494)(453.37564, 574.70074) 17 451.3657 451.3657@12.287708 + 545.3457@12.335835 12.335835 (546.3529, 13277.702)(547.356, 3478.4788)(548.3609, 607.7382) 12 545.3457 545.3457@12.335835 + 645.4007@12.321538 12.321538 (646.4074, 12532.127)(647.41034, 4154.867)(648.4132, 1903.158)(649.4175, 1494.19)(668.3902, 690.81) 8 645.4007 645.4007@12.321538 + 653.4272@12.326076 12.326076 (654.433, 14899.536)(655.436, 4977.351)(656.4376, 1852.9539)(657.44214, 455.825)(676.41644, 893.6833)(677.41956, 557.895)(678.4323, 257.88) 10 653.4272 653.4272@12.326076 + 721.453@12.328431 12.328431 (722.4598, 16350.156)(723.4625, 5974.284)(724.4615, 2066.635)(725.4551, 579.025) 5 721.453 721.453@12.328431 + 349.3169@12.393091 12.393091 (350.32425, 1768.2864)(351.3271, 482.67874) 11 349.3169 349.3169@12.393091 + 687.5099@12.38826 12.38826 (688.5176, 1161.645)(689.52124, 481.22998) 2 687.5099 687.5099@12.38826 + 481.3162@12.3747425 12.3747425 (963.6381, 2469.1462)(964.6432, 1593.8846)(965.64667, 683.054)(985.62006, 542.32666)(482.32397, 25458.154)(483.32697, 5682.0664)(484.3297, 1421.1536)(485.3326, 453.69)(504.30542, 1053.2797)(505.3085, 415.105) 65 481.3162 481.3162@12.3747425 + 1004.678@12.382688 12.382688 (1005.6856, 2822.8467)(1006.6889, 1495.2699)(1007.69385, 836.605)(1027.664, 929.92) 11 1004.678 1004.678@12.382688 + 1046.7299@12.420038 12.420038 (1047.736, 240344.19)(1048.7388, 134090.1)(1049.7405, 37669.8)(1050.7427, 7543.1094)(1051.7443, 1407.2705)(1052.7463, 207.70624)(1069.7131, 2222.315)(1070.7156, 1276.735)(1071.7197, 488.39) 44 1046.7299 1046.7299@12.420038 + 505.3538@12.423495 12.423495 (506.36014, 1197.3328)(507.36392, 428.58) 7 505.3538 505.3538@12.423495 + 523.3647@12.421909 12.421909 (1047.7362, 288368.44)(1048.7394, 160856.48)(1049.7412, 44819.316)(1050.7427, 8518.654)(1051.7443, 1468.4635)(1052.7462, 180.19666)(1069.7148, 6545.7856)(1070.718, 3706.6853)(1071.7203, 1126.4181)(1072.724, 115.65857)(524.3717, 1933673.2)(525.37585, 551826.6)(526.3781, 92066.51)(527.3797, 10516.969)(528.3823, 997.65393)(546.3528, 7796.831)(547.3556, 2136.9485)(548.35785, 639.54) 74 523.3647 523.3647@12.421909 + 635.4153@12.461367 12.461367 (636.42267, 6229.833)(637.4265, 2224.115)(638.4051, 2249.8699)(639.4071, 724.17)(658.404, 683.8934) 20 635.4153 635.4153@12.461367 + 1068.7076@12.45728 12.45728 (1069.7147, 6613.8237)(1070.7179, 3720.64)(1071.7208, 1212.7583)(1072.7229, 127.156006) 30 1068.7076 1068.7076@12.45728 + 581.4159@12.467444 12.467444 (582.4234, 3152.6042)(583.4264, 1020.7905) 39 581.4159 581.4159@12.467444 + 1072.7405@12.500655 12.500655 (1073.7478, 4188.241)(1074.7451, 2600.793)(1075.7489, 1001.3466)(1076.757, 343.53665)(1095.7297, 803.2033)(1096.7318, 539.30884) 26 1072.7405 1072.7405@12.500655 + 715.4419@12.514621 12.514621 (716.4478, 4812.775)(717.45154, 1897.6799)(718.4462, 293.49667) 4 715.4419 715.4419@12.514621 + 545.3456@12.504889 12.504889 (546.3531, 17250.541)(547.3558, 4413.063)(548.35895, 797.637) 52 545.3456 545.3456@12.504889 + 1098.7546@12.548 12.548 (1099.7618, 2011.8)(1100.765, 1305.54) 1 1098.7546 1098.7546@12.548 + 561.3193@12.48464 12.48464 (562.3263, 1333.0259)(563.3295, 428.17365) 26 561.3193 561.3193@12.48464 + C16 H43 N19 O3 12.516681 [ C16 H43 N19 O3, mfg=97.71, overall=97.71 ] (1099.7633, 469.04)(550.3865, 45194.58)(551.3894, 11971.349)(552.39166, 2322.5173)(553.39404, 453.8844)(572.36774, 3462.573)(573.3704, 1226.1979)(574.37335, 466.26334) 72 549.3789 C16 H43 N19 O3 + 671.4159@12.543549 12.543549 (672.42224, 6017.732)(673.42596, 2346.2532)(674.4261, 1161.3534)(675.4299, 785.98) 6 671.4159 671.4159@12.543549 + 575.3926@12.551 12.551 (576.3999, 1502.53)(577.4043, 529.78) 1 575.3926 575.3926@12.551 + 1094.7213@12.536526 12.536526 (1095.7285, 1403.745)(1096.7322, 853.96497) 2 1094.7213 1094.7213@12.536526 + 703.4417@12.549106 12.549106 (704.44904, 10060.111)(705.45197, 3615.9753)(706.4588, 2597.5024)(707.4629, 1857.8766)(726.4347, 1050.822)(727.43604, 608.56)(728.4422, 560.92) 12 703.4417 703.4417@12.549106 + 537.3787@12.593528 12.593528 (538.386, 4361.837)(539.38916, 1377.966)(540.3931, 442.2767) 11 537.3787 537.3787@12.593528 + 357.3605@12.560043 12.560043 (358.3678, 38733.316)(359.3709, 7950.751)(360.373, 1517.1221)(361.37408, 440.6) 72 357.3605 357.3605@12.560043 + 565.3737@12.575163 12.575163 (566.38074, 8077.328)(567.3838, 2810.645)(568.385, 913.96497) 5 565.3737 565.3737@12.575163 + 659.4151@12.581301 12.581301 (660.42224, 2994.0142)(661.4243, 1319.805)(662.4343, 2049.65)(663.4383, 972.41) 5 659.4151 659.4151@12.581301 + 693.4218@12.5861025 12.5861025 (694.4283, 8506.332)(695.4318, 3050.5818)(696.4343, 922.27) 5 693.4218 693.4218@12.5861025 + 465.3214@12.610757 12.610757 (466.32846, 1931.7251)(467.33246, 524.345) 2 465.3214 465.3214@12.610757 + 783.4675@12.598595 12.598595 (784.47516, 7569.321)(785.47833, 3245.397)(786.48395, 1603.2439)(787.4872, 605.08496) 7 783.4675 783.4675@12.598595 + 551.391@12.568822 12.568822 (552.3983, 2167.1956)(553.4035, 683.39795) 7 551.391 551.391@12.568822 + 901.5296@12.63 12.63 (902.5369, 1291.67)(903.5404, 743.95)(904.5469, 663.61) 1 901.5296 901.5296@12.63 + 313.3338@12.602034 12.602034 (314.34125, 3265.629)(315.3446, 797.6547) 20 313.3338 313.3338@12.602034 + 373.2956@12.630257 12.630257 (374.30435, 2314.97)(375.3051, 710.885) 3 373.2956 373.2956@12.630257 + 349.3185@12.602698 12.602698 (350.32498, 3482.2173)(351.3281, 793.8954)(352.32025, 1947.8202)(353.3229, 788.3233)(354.3281, 183.16) 15 349.3185 349.3185@12.602698 + 409.3663@12.625885 12.625885 (410.37344, 5275.234)(411.37708, 1399.88)(412.3815, 763.52) 8 409.3663 409.3663@12.625885 + 661.4305@12.6335 12.6335 (662.4369, 14002.583)(663.4404, 4603.627)(664.4222, 4546.8745)(665.4238, 604.87)(684.42053, 1244.3329)(685.42255, 605.285)(686.41675, 557.53) 15 661.4305 661.4305@12.6335 + 671.4135@12.629851 12.629851 (672.4207, 4283.523)(673.4248, 1627.5499)(674.4306, 912.765) 12 671.4135 671.4135@12.629851 + 467.3367@12.631837 12.631837 (468.34415, 1336.0983)(469.34695, 474.79) 6 467.3367 467.3367@12.631837 + 649.4311@12.631869 12.631869 (650.4382, 15607.516)(651.44257, 5144.7275)(652.4444, 2063.2473)(653.44684, 1070.4819)(654.43677, 310.625)(672.4199, 1451.0234)(673.42523, 728.6112)(674.4288, 389.63) 64 649.4311 649.4311@12.631869 + 507.3683@12.654753 12.654753 (508.37598, 1474.795)(509.3793, 511.71997) 2 507.3683 507.3683@12.654753 + 575.3933@12.667886 12.667886 (576.40063, 2070.341)(577.4043, 734.8222) 9 575.3933 575.3933@12.667886 + 731.4385@12.678991 12.678991 (732.44574, 7118.657)(733.4487, 2684.0542)(734.45514, 1303.026)(735.4605, 457.74)(754.43085, 574.0467) 10 731.4385 731.4385@12.678991 + 717.4573@12.6872835 12.6872835 (718.4635, 8074.818)(719.4667, 3125.6562)(720.45874, 1553.7032)(721.45483, 821.88)(740.4471, 770.5234)(741.4518, 420.78) 8 717.4573 717.4573@12.6872835 + 877.5314@12.676076 12.676076 (878.5378, 8514.96)(879.5411, 3683.8665) 3 877.5314 877.5314@12.676076 + 607.3847@12.6767235 12.6767235 (608.3917, 12214.433)(609.39435, 3789.1665)(610.3972, 1709.7688)(611.3992, 686.805)(630.37366, 944.43005)(631.3779, 447.12) 20 607.3847 607.3847@12.6767235 + 351.3135@12.636251 12.636251 (352.32095, 14527.864)(353.3237, 3000.9202)(354.3264, 2235.67)(374.30322, 2666.4023)(375.3055, 576.2133) 13 351.3135 351.3135@12.636251 + 354.2767@12.68878 12.68878 (355.28378, 4652.5273)(356.28714, 1423.1945)(357.2896, 561.28)(337.27304, 673.15283)(372.31058, 17030.477)(373.31342, 3616.3545)(374.3123, 1214.703)(377.26596, 13976.729)(378.2693, 2954.4463)(379.2715, 648.9914) 37 354.2767 354.2767@12.68878 + 537.3792@12.70514 12.70514 (538.38635, 11090.723)(539.38904, 3015.0657)(540.39294, 931.3918)(541.3951, 99.95)(560.3693, 843.74664)(561.3697, 420.86) 55 537.3792 537.3792@12.70514 + 349.3186@12.732923 12.732923 (350.32516, 5206.888)(351.3277, 1243.611)(352.3212, 1492.7)(353.3247, 496.98) 11 349.3186 349.3186@12.732923 + 701.5263@12.719003 12.719003 (702.5338, 1379.8928)(703.5482, 575.7514) 7 701.5263 701.5263@12.719003 + 745.4534@12.728953 12.728953 (746.46075, 10258.214)(747.46375, 3874.2456)(748.4703, 2391.732)(749.47455, 1157.81)(768.4443, 827.688)(769.4463, 426.72665)(770.46014, 441.96335) 10 745.4534 745.4534@12.728953 + 651.4133@12.727112 12.727112 (652.42114, 5361.26)(653.4218, 1876.02) 3 651.4133 651.4133@12.727112 + 675.4216@12.730914 12.730914 (676.42804, 9030.102)(677.4315, 3079.7058)(678.4377, 532.43)(698.41095, 885.44336)(699.4128, 462.22) 14 675.4216 675.4216@12.730914 + 427.3658@12.731741 12.731741 (428.3729, 7435.262)(429.37613, 1977.5608)(430.38257, 1047.7185)(431.39, 174.78) 64 427.3658 427.3658@12.731741 + 657.5012@12.733321 12.733321 (658.5083, 1462.1511)(659.5096, 588.8511) 17 657.5012 657.5012@12.733321 + 531.366@12.744779 12.744779 (532.37274, 4411.362)(533.376, 1333.8258)(534.3776, 541.1) 12 531.366 531.366@12.744779 + 545.3452@12.752433 12.752433 (546.35266, 6241.956)(547.3558, 1568.8951)(548.35516, 757.61664) 14 545.3452 545.3452@12.752433 + 350.2245@12.738291 12.738291 (351.2331, 3659.8765)(352.23563, 923.7605)(373.2118, 492.06) 40 350.2245 350.2245@12.738291 + 509.3839@12.740171 12.740171 (510.39075, 6235.352)(511.39392, 1753.8258)(512.39685, 656.30817)(532.3723, 512.23) 54 509.3839 509.3839@12.740171 + 621.3998@12.738641 12.738641 (622.40704, 15472.061)(623.4106, 4889.371)(624.413, 2223.0718)(625.4141, 825.8125)(644.38904, 3127.8325)(645.3925, 1303.6183)(646.39856, 667.662) 33 621.3998 621.3998@12.738641 + 707.4716@12.817828 12.817828 (708.4742, 2029.3734)(709.47754, 914.6167)(710.4638, 649.04) 3 707.4716 707.4716@12.817828 + 679.4742@12.757328 12.757328 (680.4786, 1707.885)(681.48206, 699.493)(702.4639, 810.73) 10 679.4742 679.4742@12.757328 + 807.5744@12.773537 12.773537 (808.5768, 4725.0)(809.58093, 2125.845)(810.58936, 1615.1234)(811.6123, 991.39) 4 807.5744 807.5744@12.773537 + 703.442@12.797637 12.797637 (704.44965, 5599.3096)(705.453, 2070.1099)(706.461, 1113.005)(707.464, 291.47)(686.4385, 8172.11)(687.4417, 3472.47)(688.4536, 3623.33)(726.4319, 667.41504) 4 703.442 703.442@12.797637 + 613.4754@12.76511 12.76511 (614.48267, 1669.0438)(615.48425, 662.62756) 8 613.4754 613.4754@12.76511 + 633.4004@12.783196 12.783196 (634.4079, 7826.598)(635.4113, 2572.4558)(636.4213, 3980.482)(637.42633, 1538.5537)(638.4237, 570.8775)(656.3874, 1112.83)(657.38965, 507.97)(658.40485, 739.72) 12 633.4004 633.4004@12.783196 + 867.523@12.797 12.797 (868.5303, 1559.23)(869.5344, 446.2)(870.5455, 1645.51)(871.5491, 827.61)(872.5557, 444.28) 1 867.523 867.523@12.797 + 685.431@12.770438 12.770438 (686.43787, 3032.0923)(687.4413, 1275.1793)(688.45197, 1597.258)(689.4565, 889.38)(708.42615, 613.68) 16 685.431 685.431@12.770438 + 429.3804@12.780099 12.780099 (430.38757, 2222.5269)(431.39075, 1054.6046)(432.3934, 677.75) 43 429.3804 429.3804@12.780099 + 689.4269@12.781858 12.781858 (690.4335, 7759.0356)(691.43665, 2751.1692)(692.44446, 1184.0349)(693.4491, 795.98)(712.4183, 675.84)(713.4244, 496.23) 15 689.4269 689.4269@12.781858 + 821.5373@12.806 12.806 (822.5444, 1411.73)(823.5457, 760.49)(824.5581, 576.13)(844.5269, 1424.69)(845.5309, 840.92)(846.5434, 2025.97)(847.5467, 1212.67)(848.5534, 827.39) 1 821.5373 821.5373@12.806 + 569.4484@12.795102 12.795102 (570.45593, 1605.965)(571.4576, 584.1584) 6 569.4484 569.4484@12.795102 + 453.3809@12.761882 12.761882 (454.38828, 2108.7664)(455.3914, 654.6186) 24 453.3809 453.3809@12.761882 + 530.2667@12.801228 12.801228 (531.27344, 7643.864)(532.2769, 2619.1028)(533.2803, 835.70514)(548.30054, 17992.24)(549.30365, 5898.97)(550.30695, 1396.8093)(553.2545, 609.125) 50 530.2667 530.2667@12.801228 + LysoPE(0:0/22:0) 12.834578 LysoPE(0:0/22:0) [ C27 H56 N O7 P, db=96.46, overall=48.23, HMP ID=HMDB11490, METLIN ID=62278 ] (538.38666, 33593.117)(539.38934, 8763.85)(540.3927, 1802.6559)(541.3953, 400.84863)(560.3684, 1280.2)(561.3716, 404.22) 63 537.379 LysoPE(0:0/22:0) HMDB11490 + 636.2999@12.826154 12.826154 (637.3058, 73410.51)(638.30853, 23064.088)(639.311, 4794.2744)(640.31384, 886.7024)(654.3332, 484502.1)(655.33636, 167978.27)(656.33844, 30811.328)(657.3391, 4769.1724)(658.3422, 684.3901)(659.28613, 1754.9672)(660.2894, 690.0521) 56 636.2999 636.2999@12.826154 + 677.3242@12.823139 12.823139 (678.3313, 7796.832)(679.33453, 3187.6235)(680.3374, 951.43176)(695.35834, 21927.014)(696.3612, 7611.2075)(697.35406, 2535.809)(698.3528, 878.23663)(700.3132, 2449.4153)(701.3157, 999.4523) 34 677.3242 677.3242@12.823139 + 694.351@12.8312 12.8312 (695.3584, 24787.033)(696.3614, 8600.538)(697.3543, 2796.4849)(698.3533, 866.91077) 57 694.351 694.351@12.8312 + 680.3342@12.830468 12.830468 (681.3415, 1187.2122)(682.3543, 837.8209) 32 680.3342 680.3342@12.830468 + 709.3837@12.829047 12.829047 (710.3917, 1513.0284)(711.39484, 639.9335) 38 709.3837 709.3837@12.829047 + 667.4407@12.83565 12.83565 (668.44745, 3144.7532)(669.45056, 1402.6799)(650.4375, 2668.63)(651.4398, 1008.94)(652.4217, 1194.6) 3 667.4407 667.4407@12.83565 + 756.3412@12.831332 12.831332 (757.34827, 22051.514)(758.3515, 8376.548)(759.3541, 1953.3649)(760.35754, 269.87134)(779.3296, 526.42474) 64 756.3412 756.3412@12.831332 + 349.3171@12.863181 12.863181 (350.32486, 2985.2668)(351.32742, 660.944)(352.3204, 1474.98)(353.3224, 255.97) 6 349.3171 349.3171@12.863181 + 675.4461@12.841864 12.841864 (676.4532, 3997.003)(677.45654, 1472.3107)(678.4491, 1081.125)(679.449, 410.22498)(698.4314, 410.45) 18 675.4461 675.4461@12.841864 + 658.2789@12.839788 12.839788 (659.28644, 2563.0276)(660.2897, 911.52966) 37 658.2789 658.2789@12.839788 + 699.3062@12.843036 12.843036 (700.3131, 3452.519)(701.3158, 1321.857)(702.3177, 452.1) 41 699.3062 699.3062@12.843036 + 271.2506@12.86735 12.86735 (272.25793, 6517.777)(273.2613, 1190.4963) 26 271.2506 271.2506@12.86735 + 693.4571@12.875194 12.875194 (694.46405, 4886.489)(695.4655, 2151.466)(696.4669, 900.92755)(716.44745, 1118.8821)(717.45056, 737.31006) 6 693.4571 693.4571@12.875194 + 647.4156@12.905441 12.905441 (648.42267, 9502.538)(649.42596, 3114.8005)(650.4367, 2778.5913)(651.44116, 485.97)(670.40546, 862.5884)(671.4118, 479.56003)(672.4177, 702.69) 14 647.4156 647.4156@12.905441 + 559.3608@12.865812 12.865812 (560.3681, 4674.878)(561.37177, 1404.8461)(562.36957, 607.23444) 32 559.3608 559.3608@12.865812 + 595.4311@12.8661 12.8661 (596.43805, 1732.495)(597.442, 612.27747) 4 595.4311 595.4311@12.8661 + 633.4007@12.8878765 12.8878765 (634.4075, 12567.78)(635.4111, 3918.5972)(636.4208, 2251.4355)(637.4232, 1876.6)(656.38885, 2818.635)(657.3915, 1004.2675)(658.40533, 565.10333) 13 633.4007 633.4007@12.8878765 + 531.3655@12.911 12.911 (532.3728, 1058.24)(533.3765, 373.43) 1 531.3655 531.3655@12.911 + 545.3453@12.943165 12.943165 (546.35254, 5395.701)(547.35626, 1576.322)(548.3562, 590.47) 16 545.3453 545.3453@12.943165 + 563.3939@12.914 12.914 (564.4012, 1011.45)(565.4013, 377.58) 1 563.3939 563.3939@12.914 + 821.5389@12.92 12.92 (822.5447, 1771.72)(823.5475, 964.32)(844.5295, 1508.03)(845.5341, 856.92)(846.5452, 1943.98)(847.5482, 910.05)(848.5564, 567.57) 1 821.5389 821.5389@12.92 + 789.5156@12.910239 12.910239 (790.5228, 3333.9104)(791.5258, 1455.1465)(792.53143, 729.4716)(812.5054, 1182.2184)(813.5092, 653.5956)(814.52246, 501.8) 26 789.5156 789.5156@12.910239 + 749.4839@12.939171 12.939171 (750.4903, 6914.922)(751.4935, 2795.602)(752.494, 957.80255)(732.4752, 235.66) 5 749.4839 749.4839@12.939171 + 311.3549@12.944709 12.944709 (312.3619, 1504.1389)(313.36487, 692.205) 9 311.3549 311.3549@12.944709 + 673.4315@12.959151 12.959151 (674.4383, 6621.3887)(675.44147, 2461.8567)(676.44763, 1299.5901)(677.4509, 396.38)(696.4258, 543.76337) 6 673.4315 673.4315@12.959151 + 717.4575@12.978 12.978 (718.4648, 1318.98)(719.4658, 540.56)(720.469, 499.69) 1 717.4575 717.4575@12.978 + 268.2186@12.939388 12.939388 (269.22577, 3631.3313)(270.22943, 799.88275) 18 268.2186 268.2186@12.939388 + 681.4578@12.967348 12.967348 (682.46423, 8523.234)(683.46765, 4835.7744)(684.4675, 1448.185)(685.4667, 195.24)(664.449, 662.42)(704.4476, 810.72)(705.4464, 161.33) 9 681.4578 681.4578@12.967348 + 352.2585@12.96473 12.96473 (353.2656, 9974.116)(354.26868, 1959.6172)(355.272, 418.864) 11 352.2585 352.2585@12.96473 + 419.3239@12.987907 12.987907 (420.331, 1956.7544)(421.3344, 578.0742) 54 419.3239 419.3239@12.987907 + 815.5307@12.975946 12.975946 (816.53864, 3789.8647)(817.5415, 1735.8573)(818.5469, 785.73584)(838.52246, 1058.152)(839.525, 819.145) 23 815.5307 815.5307@12.975946 + 711.4468@12.979546 12.979546 (712.45337, 2992.319)(713.45703, 1207.1034)(714.44794, 795.36426)(715.4449, 667.34)(734.4373, 535.27) 12 711.4468 711.4468@12.979546 + 837.5161@13.002558 13.002558 (838.52295, 2364.1343)(839.52783, 1153.71)(840.53143, 670.935) 5 837.5161 837.5161@13.002558 + 789.5242@13.025 13.025 (790.5319, 3000.94)(791.5362, 1239.5)(812.5129, 2218.72)(813.5137, 1040.83) 1 789.5242 789.5242@13.025 + 803.5293@12.997887 12.997887 (804.5481, 4808.525)(805.5536, 2191.4875)(806.5592, 2871.5525)(807.564, 1158.2625)(826.5199, 2654.58)(827.52216, 1213.77)(828.52673, 2001.7451)(829.5303, 1341.35) 4 803.5293 803.5293@12.997887 + 3-ketosphingosine 13.001573 3-ketosphingosine [ C18 H35 N O2, mfg=96.85, db=96.85, overall=96.85, Lipid ID=LMSP01010002, METLIN ID=83700 ] (298.27417, 54213.984)(299.27707, 9091.5)(300.2805, 1239.2878) 47 297.2671 3-ketosphingosine + LMSP01010002 883.5224@13.029 13.029 (884.5297, 1185.5)(885.5309, 648.24)(886.5409, 558.24) 1 883.5224 883.5224@13.029 + 509.3824@12.975706 12.975706 (510.38995, 1845.3079)(511.3933, 652.88)(532.37103, 836.215)(533.3749, 393.99) 5 509.3824 509.3824@12.975706 + 807.5745@12.9861965 12.9861965 (808.58185, 11057.411)(809.5854, 4684.3945)(810.5959, 3763.5398)(811.60614, 1527.9783)(812.6149, 4236.56) 23 807.5745 807.5745@12.9861965 + 867.5247@13.031672 13.031672 (868.532, 1453.775)(869.5365, 613.33)(870.5469, 556.93) 2 867.5247 867.5247@13.031672 + 829.5423@13.039 13.039 (830.5481, 2905.19)(831.5502, 1317.39)(832.5665, 951.38)(852.5346, 1316.94)(853.5364, 852.7)(854.547, 1407.83)(855.5515, 705.82)(856.559, 779.78) 1 829.5423 829.5423@13.039 + 695.4157@13.004441 13.004441 (696.4219, 2054.51)(697.4253, 840.68)(698.4332, 813.29004) 3 695.4157 695.4157@13.004441 + 573.3767@13.101299 13.101299 (574.3835, 2484.2131)(575.3871, 789.0169)(576.38776, 412.36337) 13 573.3767 573.3767@13.101299 + 699.444@13.084911 13.084911 (700.45166, 1339.0767)(701.4564, 720.72)(702.466, 530.4) 3 699.444 699.444@13.084911 + 673.4305@13.036515 13.036515 (674.43835, 4949.5513)(675.44135, 1850.7153)(676.44653, 618.35004)(691.4622, 504.63)(696.42194, 578.185) 11 673.4305 673.4305@13.036515 + 353.3288@13.03112 13.03112 (354.336, 7266.2188)(355.33902, 1660.7961)(356.34714, 743.3767)(376.31714, 3540.38)(377.3214, 878.98) 10 353.3288 353.3288@13.03112 + 411.382@13.04626 13.04626 (412.38882, 2885.3555)(413.39127, 863.4829) 7 411.382 411.382@13.04626 + 677.4621@13.058701 13.058701 (678.46924, 2609.1907)(679.4727, 1031.069)(680.47516, 550.545)(695.4986, 328.34)(700.4505, 516.92) 28 677.4621 677.4621@13.058701 + 356.2924@13.111791 13.111791 (357.29965, 7775.155)(358.30286, 1975.928)(359.30515, 874.512)(339.28882, 1190.706)(340.29227, 673.924)(374.32642, 8502.076)(375.32944, 1984.5265)(376.3244, 1060.3357)(377.3201, 621.53)(379.28152, 10419.042)(380.28482, 2221.4492)(381.28827, 571.57074) 38 356.2924 356.2924@13.111791 + 530.2663@13.08824 13.08824 (531.2733, 1799.44)(532.27686, 666.03503) 2 530.2663 530.2663@13.08824 + 797.5195@13.102901 13.102901 (798.5239, 10384.615)(799.5237, 709.95) 2 797.5195 797.5195@13.102901 + 671.5165@13.099 13.099 (672.5238, 1441.07)(673.5176, 733.3) 1 671.5165 671.5165@13.099 + 330.2772@13.0835905 13.0835905 (683.5422, 6912.2407)(684.5457, 2758.652)(331.28473, 93489.33)(332.28745, 15670.0)(333.29007, 2068.7107)(334.2932, 387.1557)(313.27264, 785.52997)(348.3111, 95835.21)(349.31403, 16412.482)(350.31567, 2212.0461)(351.3184, 417.71002)(353.26648, 75818.52)(354.2695, 12747.676)(355.27222, 1666.169)(356.2751, 493.82) 65 330.2772 330.2772@13.0835905 + 256.2399@13.07062 13.07062 (257.24747, 937.034)(239.23677, 9806.224)(240.24011, 1659.6516) 20 256.2399 256.2399@13.07062 + 312.266@13.072473 13.072473 (313.2734, 5971.6626)(314.27667, 1276.5437) 22 312.266 312.266@13.072473 + 690.5234@13.109135 13.109135 (691.5289, 13819.704)(692.53094, 4839.448)(693.531, 1453.0499)(694.5338, 726.59) 6 690.5234 690.5234@13.109135 + 706.4956@13.113 13.113 (707.5029, 4851.66)(708.5057, 2037.0)(709.5108, 944.54) 1 706.4956 706.4956@13.113 + 726.593@13.083695 13.083695 (727.6002, 10116.817)(728.60236, 4008.553)(729.6044, 1268.7262)(730.5977, 272.4009) 19 726.593 726.593@13.083695 + 725.5951@13.12 13.12 (726.6023, 2557.33) 1 725.5951 725.5951@13.12 + 577.4097@13.207278 13.207278 (578.4171, 2842.663)(579.4207, 1003.63275)(580.4248, 432.52597) 22 577.4097 577.4097@13.207278 + 627.4895@13.09924 13.09924 (628.4977, 1299.02)(629.50024, 569.08) 2 627.4895 627.4895@13.09924 + 703.4781@13.094591 13.094591 (704.4858, 2116.5852)(705.4887, 896.63495)(706.5032, 986.2117) 16 703.4781 703.4781@13.094591 + 509.3618@13.119421 13.119421 (510.36896, 1124.015)(511.3667, 418.145) 2 509.3618 509.3618@13.119421 + 663.4464@13.102864 13.102864 (664.4538, 5396.4307)(665.4601, 2050.3442)(666.45935, 1236.5483)(667.4608, 245.10999)(686.43616, 868.645)(687.4396, 477.425)(688.4509, 422.21) 21 663.4464 663.4464@13.102864 + 583.4644@13.170297 13.170297 (584.47217, 1502.73)(585.4736, 522.49) 3 583.4644 583.4644@13.170297 + 426.3489@13.149 13.149 (427.3562, 1437.76)(428.368, 850.84) 1 426.3489 426.3489@13.149 + 537.3789@13.157 13.157 (538.3861, 2618.51)(539.3896, 811.69) 1 537.3789 537.3789@13.157 + 731.4732@13.135132 13.135132 (732.481, 4977.0283)(733.48474, 1996.0077)(734.4949, 2324.0725)(735.50146, 1191.2267)(754.46466, 756.0225)(755.4694, 400.31)(756.482, 350.27) 13 731.4732 731.4732@13.135132 + 845.5411@13.134827 13.134827 (846.54865, 22788.395)(847.55133, 9936.608)(848.5599, 9222.447)(849.56537, 7182.397)(850.56433, 1934.065)(851.561, 490.68)(868.531, 1904.9844)(869.534, 1134.2086) 14 845.5411 845.5411@13.134827 + 539.4364@13.18958 13.18958 (540.44385, 1333.63)(541.4471, 504.78) 3 539.4364 539.4364@13.18958 + 443.3716@13.14874 13.14874 (444.37827, 10180.826)(445.38052, 2726.1636)(446.38074, 828.18744) 8 443.3716 443.3716@13.14874 + 407.301@13.150393 13.150393 (408.30814, 9971.406)(409.3128, 2238.015)(410.31506, 773.095) 8 407.301 407.301@13.150393 + 848.5576@13.175 13.175 (849.5648, 1959.83)(850.5674, 945.85) 1 848.5576 848.5576@13.175 + 851.5298@13.2262945 13.2262945 (852.5379, 1623.4834)(853.54047, 977.84)(854.55054, 1153.2833)(855.5591, 607.13)(856.5617, 408.22) 3 851.5298 851.5298@13.2262945 + 399.3697@13.171022 13.171022 (400.3767, 1196.86)(401.3785, 432.02) 5 399.3697 399.3697@13.171022 + 609.4465@13.257193 13.257193 (610.4542, 1280.08)(611.45667, 498.59) 4 609.4465 609.4465@13.257193 + 551.3949@13.22666 13.22666 (1103.7942, 927.22003)(1104.7971, 1058.54)(1105.801, 502.67)(1125.7782, 322.3)(552.4023, 37841.445)(553.40515, 10206.123)(554.4081, 1973.1863)(555.41095, 450.32718)(574.3834, 2641.7344)(575.38696, 984.8028)(576.39197, 520.81) 54 551.3949 551.3949@13.22666 + 443.3721@13.225441 13.225441 (444.37933, 14163.403)(445.38217, 3595.0898)(446.38443, 1048.4884) 14 443.3721 443.3721@13.225441 + 505.3625@13.217355 13.217355 (506.3695, 8963.081)(507.3726, 2611.0774)(508.37476, 685.8) 11 505.3625 505.3625@13.217355 + 795.5049@13.3001375 13.3001375 (796.5137, 5518.8013)(797.5187, 2498.8728)(798.52673, 5104.86)(799.52966, 1924.0621)(800.5376, 1218.525)(801.549, 394.35) 7 795.5049 795.5049@13.3001375 + 689.4629@13.286256 13.286256 (690.4691, 6102.888)(691.4726, 2265.1746)(692.4717, 1188.7633)(712.4514, 534.94995) 13 689.4629 689.4629@13.286256 + 905.5612@13.313 13.313 (906.5685, 1618.27)(907.5708, 928.56)(908.5771, 720.35) 1 905.5612 905.5612@13.313 + 551.3945@13.316719 13.316719 (552.402, 26884.863)(553.405, 7262.7544)(554.4076, 1163.0638)(555.4105, 592.28)(574.3838, 7319.133)(575.38715, 2921.7217)(576.39075, 823.5425) 29 551.3945 551.3945@13.316719 + 745.489@13.292033 13.292033 (746.4969, 3185.972)(747.50073, 1406.3822)(748.5089, 865.7399)(749.5079, 145.15) 9 745.489 745.489@13.292033 + 798.5218@13.316 13.316 (799.529, 1707.24)(800.5418, 800.71)(801.5489, 370.86) 1 798.5218 798.5218@13.316 + 797.52@13.285932 13.285932 (798.52765, 10029.836)(799.53076, 5038.4097)(800.5424, 3417.99)(815.5493, 385.24) 3 797.52 797.52@13.285932 + 677.4625@13.28455 13.28455 (678.46967, 10942.569)(679.47284, 3766.854)(680.4806, 1692.861)(681.48224, 673.735)(682.469, 113.47)(700.45166, 731.91364)(701.45435, 834.53503) 47 677.4625 677.4625@13.28455 + 845.5407@13.296924 13.296924 (846.55005, 1245.95)(847.5532, 936.58496)(848.5614, 1112.295)(828.5373, 1702.62)(829.54034, 946.6833)(830.55005, 1262.2467)(831.5544, 483.58)(832.5649, 859.65) 3 845.5407 845.5407@13.296924 + 368.3442@13.292119 13.292119 (369.3515, 17019.14)(370.35428, 4486.169)(371.35297, 696.7655) 9 368.3442 368.3442@13.292119 + 699.4448@13.321472 13.321472 (700.45215, 1740.89)(701.45557, 779.95996) 2 699.4448 699.4448@13.321472 + 333.3028@13.296611 13.296611 (334.30954, 2359.034)(335.31274, 622.7925) 5 333.3028 333.3028@13.296611 + 349.2976@13.288948 13.288948 (350.30542, 2623.7139)(351.30807, 698.35913) 16 349.2976 349.2976@13.288948 + 849.5501@13.327 13.327 (850.5574, 885.73)(851.5581, 544.08)(852.5438, 1742.25)(853.547, 1155.38)(854.552, 1306.29) 1 849.5501 849.5501@13.327 + 864.586@13.379 13.379 (865.5933, 1113.58)(866.5879, 783.54) 1 864.586 864.586@13.379 + 842.5727@13.395 13.395 (843.58, 1919.61)(844.5744, 1229.83) 1 842.5727 842.5727@13.395 + 821.063@13.409 13.409 (822.0703, 2671.17)(823.0723, 496.87) 1 821.063 821.063@13.409 + 820.5598@13.386024 13.386024 (821.5681, 1903.4834)(822.56836, 1029.9199) 3 820.5598 820.5598@13.386024 + 895.5534@13.418 13.418 (896.5607, 1046.03)(897.564, 599.05)(898.5761, 622.19) 1 895.5534 895.5534@13.418 + 699.4443@13.411158 13.411158 (700.45154, 2916.53)(701.4569, 1714.47)(702.466, 1259.4) 2 699.4443 699.4443@13.411158 + 799.0493@13.393096 13.393096 (800.05707, 2266.4465)(801.06085, 493.64334) 3 799.0493 799.0493@13.393096 + 798.5451@13.393457 13.393457 (799.55505, 2265.022)(800.5648, 1338.6001)(801.5529, 404.67) 5 798.5451 798.5451@13.393457 + 599.3914@13.3896 13.3896 (600.3994, 1430.495)(601.405, 535.07495) 2 599.3914 599.3914@13.3896 + 777.5368@13.445 13.445 (778.5441, 2559.64)(779.5411, 390.14) 1 777.5368 777.5368@13.445 + 777.0374@13.427748 13.427748 (778.04364, 4279.065)(779.04626, 823.33) 2 777.0374 777.0374@13.427748 + 776.5349@13.405094 13.405094 (777.5428, 2213.91)(778.5441, 930.35724) 12 776.5349 776.5349@13.405094 + 849.5642@13.448 13.448 (850.5715, 1879.91)(851.5727, 1208.5) 1 849.5642 849.5642@13.448 + 432.3446@13.403352 13.403352 (433.35144, 1477.3688)(434.35483, 592.0017)(415.34076, 1423.7368)(416.3453, 550.5472)(450.3785, 6065.1733)(451.3816, 1548.0558)(452.38416, 484.63168)(455.33426, 23098.633)(456.33737, 5235.6406)(457.3398, 967.94885) 27 432.3446 432.3446@13.403352 + 470.3009@13.4467125 13.4467125 (471.30835, 1273.4467)(472.31198, 394.5267) 3 470.3009 470.3009@13.4467125 + 490.397@13.420067 13.420067 (491.4042, 1961.9872)(492.40692, 677.42773) 14 490.397 490.397@13.420067 + 713.4625@13.418698 13.418698 (714.4694, 2544.314)(715.47253, 1082.3856)(716.4761, 767.17505)(736.4569, 503.14) 10 713.4625 713.4625@13.418698 + 773.5226@13.44434 13.44434 (774.5306, 1832.9634)(775.5498, 682.35)(796.51434, 2685.89)(797.5207, 1444.3033)(798.5278, 1038.9467) 3 773.5226 773.5226@13.44434 + 754.5227@13.42716 13.42716 (755.5295, 2603.5703)(756.5408, 1545.1532)(757.5466, 799.18506) 18 754.5227 754.5227@13.42716 + 755.0242@13.425531 13.425531 (756.03156, 4911.7197)(757.0344, 820.905) 4 755.0242 755.0242@13.425531 + 835.5776@13.477 13.477 (836.5849, 1139.94)(837.5918, 655.49)(838.5692, 1696.88)(839.5691, 847.0)(840.5574, 375.35) 1 835.5776 835.5776@13.477 + 599.3922@13.478 13.478 (600.3995, 1925.01)(601.4054, 716.39) 1 599.3922 599.3922@13.478 + 821.541@13.473361 13.473361 (822.5473, 2548.5266)(823.55096, 1378.4166)(824.5516, 507.1267)(804.5398, 568.23)(805.5432, 277.32)(844.52594, 1245.18)(845.52704, 629.8067) 3 821.541 821.541@13.473361 + 299.2821@13.445485 13.445485 (300.28934, 9268.123)(301.29254, 1818.6862)(302.29645, 430.48004) 64 299.2821 299.2821@13.445485 + 545.3456@13.433398 13.433398 (546.3532, 2550.77)(547.3568, 779.0999) 9 545.3456 545.3456@13.433398 + 733.0109@13.458434 13.458434 (734.01825, 3075.488)(735.0205, 669.71716) 11 733.0109 733.0109@13.458434 + 732.51@13.441204 13.441204 (733.5171, 2571.837)(734.5297, 1664.177)(735.52466, 486.165) 25 732.51 732.51@13.441204 + 893.5399@13.488 13.488 (894.5472, 769.7)(895.5529, 409.58)(896.5605, 1361.19)(897.5664, 742.5)(898.5743, 394.44) 1 893.5399 893.5399@13.488 + 805.5489@13.458728 13.458728 (806.5576, 63637.617)(807.5607, 28777.623)(808.569, 22201.555)(809.57404, 4474.968)(810.5665, 805.56)(828.54034, 5639.4785)(829.54333, 2561.232)(830.5512, 1934.0437)(831.5571, 1188.07) 16 805.5489 805.5489@13.458728 + 1,2-Dioctanoyl-sn-glycerol 13.463746 1,2-Dioctanoyl-sn-glycerol [ C19 H36 O5, mfg=43.37, db=74.48, overall=58.92, CAS ID=60514-48-9, METLIN ID=414 ] 60514-48-9 (711.5036, 2741.8481)(712.5062, 1036.9357)(713.5067, 600.0) 51 710.4963 1,2-Dioctanoyl-sn-glycerol + 710.9984@13.466685 13.466685 (712.00525, 3813.4216)(713.0078, 984.3433) 15 710.9984 710.9984@13.466685 + 811.5451@13.504 13.504 (812.5524, 4538.81)(813.5529, 1780.12) 1 811.5451 811.5451@13.504 + 688.4835@13.486246 13.486246 (689.49066, 3299.6255)(690.4926, 1179.0453)(691.4967, 687.465) 65 688.4835 688.4835@13.486246 + 688.9844@13.485701 13.485701 (689.99194, 3672.1614)(690.99493, 755.71234) 29 688.9844 688.9844@13.485701 + 845.5425@13.501517 13.501517 (846.5495, 15997.704)(847.5521, 6867.2275)(848.56433, 2658.362)(849.5624, 1895.04) 8 845.5425 845.5425@13.501517 + 666.9715@13.509073 13.509073 (667.9789, 3285.6648)(668.98157, 844.8124) 47 666.9715 666.9715@13.509073 + 666.4704@13.504444 13.504444 (667.47754, 4023.7522)(668.4806, 1263.2723)(669.484, 572.0334) 69 666.4704 666.4704@13.504444 + 644.9592@13.528075 13.528075 (645.96594, 3537.0566)(646.969, 847.30426) 51 644.9592 644.9592@13.528075 + 644.4574@13.523165 13.523165 (645.46454, 4740.0073)(646.46716, 1365.225)(647.47144, 621.98663) 68 644.4574 644.4574@13.523165 + 703.4781@13.524506 13.524506 (704.4849, 2281.0344)(705.48785, 1000.9643)(706.4856, 426.7)(726.4684, 419.97) 7 703.4781 703.4781@13.524506 + 622.4443@13.541302 13.541302 (623.45154, 5386.7295)(624.4543, 1459.0967)(625.45776, 680.505) 68 622.4443 622.4443@13.541302 + 622.9457@13.547488 13.547488 (623.95306, 3980.227)(624.9557, 913.16235) 45 622.9457 622.9457@13.547488 + 773.5229@13.583 13.583 (774.5302, 1657.77)(775.533, 758.89) 1 773.5229 773.5229@13.583 + C18 H5 N2 O22 13.563029 [ C18 H5 N2 O22, mfg=73.08, overall=73.08 ] (601.9401, 3294.472)(602.94354, 829.4979) 56 600.9333 C18 H5 N2 O22 + 869.541@13.585865 13.585865 (870.548, 1524.8099)(871.5507, 879.61)(872.5615, 945.56995)(873.5645, 533.29)(874.5752, 1521.67) 4 869.541 869.541@13.585865 + 358.308@13.569017 13.569017 (739.605, 7837.48)(740.6082, 3688.3833)(741.6226, 1694.8458)(359.3158, 67386.016)(360.31885, 12969.0)(361.32178, 2269.3281)(362.32443, 486.89)(341.30438, 5010.951)(342.30777, 1432.2482)(343.3108, 441.0375)(376.34134, 54061.266)(377.34476, 18471.955)(378.34814, 8855.964)(379.3508, 835.9487)(381.29745, 57464.08)(382.30063, 10995.879)(383.30405, 1963.8806)(384.30658, 589.23376) 66 358.308 358.308@13.569017 + 782.655@13.616113 13.616113 (783.66156, 8721.197)(784.65875, 3862.3489)(785.6546, 1374.1008) 22 782.655 782.655@13.616113 + 805.5478@13.64414 13.64414 (806.5557, 28344.55)(807.55884, 11432.42)(808.5643, 4300.81)(828.5383, 2065.16)(829.5406, 1053.59)(830.5498, 1188.6)(831.5536, 428.88) 5 805.5478 805.5478@13.64414 + 309.3028@13.589359 13.589359 (619.6121, 856.25)(310.31018, 5756.9395)(311.3131, 1235.9675)(332.2916, 1529.545)(333.29468, 476.78497) 4 309.3028 309.3028@13.589359 + 578.4183@13.58223 13.58223 (579.4254, 4945.6235)(580.4279, 1212.8202)(581.4337, 631.54) 67 578.4183 578.4183@13.58223 + 578.9194@13.589144 13.589144 (579.9267, 3308.3674)(580.9292, 951.01306) 47 578.9194 578.9194@13.589144 + 735.5085@13.629 13.629 (736.5158, 1290.12)(737.5194, 648.11)(738.527, 433.64) 1 735.5085 735.5085@13.629 + 556.4055@13.60038 13.60038 (557.4123, 5508.2715)(558.41547, 1313.3892)(559.4169, 696.95) 66 556.4055 556.4055@13.60038 + 556.9066@13.604776 13.604776 (557.91394, 4105.096)(558.916, 821.29156) 37 556.9066 556.9066@13.604776 + 1051.7577@13.613484 13.613484 (1052.7646, 5552.9336)(1053.7676, 2955.5437)(1054.7715, 1037.5599)(1055.7715, 322.89) 3 1051.7577 1051.7577@13.613484 + 534.8939@13.629081 13.629081 (535.901, 4282.696)(536.9032, 889.2613) 25 534.8939 534.8939@13.629081 + 534.3923@13.620146 13.620146 (535.3993, 4772.9355)(536.40265, 1167.1532)(537.404, 661.4) 63 534.3923 534.3923@13.620146 + 1007.7313@13.636609 13.636609 (1008.7379, 3540.5735)(1009.74133, 1902.2379)(1010.7443, 1168.6376)(1011.7444, 345.36) 10 1007.7313 1007.7313@13.636609 + 919.6789@13.666933 13.666933 (920.6867, 2797.4617)(921.6888, 1415.0914)(922.6923, 761.2822)(923.6946, 387.07) 29 919.6789 919.6789@13.666933 + 340.2977@13.692774 13.692774 (341.30484, 7370.3325)(342.30814, 1645.9126)(343.30884, 493.41064) 66 340.2977 340.2977@13.692774 + 284.2716@13.684725 13.684725 (285.27875, 982.7705)(286.28162, 439.175)(267.2683, 12122.382)(268.27142, 2173.8416)(269.27463, 448.975) 45 284.2716 284.2716@13.684725 + 358.3098@13.695578 13.695578 (739.6055, 21530.824)(740.6088, 8893.673)(741.6268, 4359.2456)(359.3166, 249295.52)(360.31937, 48927.277)(361.32184, 5641.6426)(362.32407, 759.3105)(376.34338, 352334.62)(377.3459, 72992.02)(378.34796, 8359.138)(379.35074, 973.04315)(381.29868, 215743.84)(382.30118, 40473.598)(383.30383, 4760.796)(384.30682, 542.6922) 66 358.3098 358.3098@13.695578 + 740.6269@13.694936 13.694936 (741.6314, 6021.771) 21 740.6269 740.6269@13.694936 + 741.6296@13.692964 13.692964 (742.6364, 17501.453)(743.6393, 6795.021)(744.6355, 1771.5455)(745.6335, 465.69373) 68 741.6296 741.6296@13.692964 + 737.5258@13.679211 13.679211 (738.5331, 1325.372)(720.52783, 381.135)(755.5591, 4452.9014)(756.561, 2176.6223)(757.5672, 965.1017) 36 737.5258 737.5258@13.679211 + 421.3167@13.686726 13.686726 (422.32397, 1413.5013)(423.32715, 417.23538) 16 421.3167 421.3167@13.686726 + 497.2811@13.687547 13.687547 (498.28824, 9610.192)(499.29126, 2547.0632)(500.289, 1148.899)(501.29227, 347.06284)(480.278, 6607.348)(481.28125, 1991.8015)(482.27972, 917.5457)(483.28064, 256.89752) 56 497.2811 497.2811@13.687547 + 869.5417@13.729 13.729 (870.5462, 335.05)(852.5386, 3131.32)(853.5429, 1904.16)(854.5506, 1435.91) 1 869.5417 869.5417@13.729 + 396.2641@13.694968 13.694968 (397.27145, 7823.84)(398.2748, 1681.0188)(399.27222, 831.0357) 66 396.2641 396.2641@13.694968 + 875.6526@13.700872 13.700872 (876.65967, 2392.3723)(877.6607, 1224.5996)(878.6627, 763.475)(879.6582, 252.59) 34 875.6526 875.6526@13.700872 + 771.5068@13.7076025 13.7076025 (772.5168, 6562.23)(773.51874, 2903.7366)(774.5267, 545.88)(775.5387, 87.51) 6 771.5068 771.5068@13.7076025 + 746.5851@13.702451 13.702451 (747.59265, 18214.033)(748.5945, 7208.798)(749.59717, 1730.1396)(750.59973, 329.12354) 63 746.5851 746.5851@13.702451 + 789.5519@13.714195 13.714195 (790.5615, 5436.057)(791.5625, 1815.18)(792.56683, 779.6471) 12 789.5519 789.5519@13.714195 + 762.5604@13.701104 13.701104 (763.5682, 2099.953)(764.567, 1018.5744)(765.5668, 465.7451) 53 762.5604 762.5604@13.701104 + 781.6551@13.714378 13.714378 (782.6623, 1892.4786) 14 781.6551 781.6551@13.714378 + 782.6552@13.714718 13.714718 (783.66187, 8716.409)(784.659, 3888.6587)(785.6543, 1336.4547) 44 782.6552 782.6552@13.714718 + 584.2632@13.72993 13.72993 (1191.5107, 425.95502)(585.2699, 10946.623)(586.27313, 3630.9924)(587.2758, 1145.2346)(588.2783, 243.23001)(607.25165, 1548.9557)(608.25476, 692.2634) 52 584.2632 584.2632@13.72993 + 873.5734@13.739683 13.739683 (874.5794, 13546.477)(875.58234, 6207.29)(876.5993, 633.5867)(896.561, 2451.36)(897.5646, 1221.76) 10 873.5734 873.5734@13.739683 + 335.3182@13.717656 13.717656 (671.6428, 883.45)(336.32562, 3800.045)(337.329, 953.0056)(358.3072, 955.5956) 10 335.3182 335.3182@13.717656 + 452.3097@13.781 13.781 (453.317, 1251.25)(454.3213, 390.97) 1 452.3097 452.3097@13.781 + 787.5867@13.764536 13.764536 (788.602, 15367.725)(789.60095, 6184.24) 2 787.5867 787.5867@13.764536 + 505.3969@13.764851 13.764851 (506.40396, 1384.2316)(507.4079, 479.41602) 6 505.3969 505.3969@13.764851 + 597.4242@13.75172 13.75172 (598.4309, 1683.641)(599.4349, 658.1811) 9 597.4242 597.4242@13.75172 + 510.3529@13.743726 13.743726 (511.35992, 1672.5497)(512.36346, 526.8652) 25 510.3529 510.3529@13.743726 + 743.5751@13.765453 13.765453 (744.5829, 2300.7676)(745.5867, 1038.7688)(746.5891, 955.3511)(747.5931, 465.37)(748.5846, 497.46) 42 743.5751 743.5751@13.765453 + 773.5219@13.79419 13.79419 (774.5296, 12811.88)(775.53253, 4974.6084)(776.5354, 1101.5599)(777.5391, 467.65)(778.5298, 68.66)(756.5182, 896.26996)(757.5204, 591.27) 6 773.5219 773.5219@13.79419 + 616.4676@13.817 13.817 (617.4748, 1133.11)(618.4777, 486.35) 1 616.4676 616.4676@13.817 + 623.4378@13.798762 13.798762 (624.44635, 1313.575)(625.449, 601.5933) 6 623.4378 623.4378@13.798762 + 699.5494@13.796382 13.796382 (700.5561, 2468.0303)(701.55817, 1047.1068)(702.56067, 619.418)(703.5656, 352.14) 19 699.5494 699.5494@13.796382 + 620.3027@13.805041 13.805041 (621.3098, 11696.778)(622.31305, 4080.0967)(623.316, 1271.6511)(624.3188, 378.99)(638.3363, 15600.278)(639.3399, 4997.0186)(640.34247, 1410.8077)(641.34424, 431.60498)(643.2919, 3055.6733)(644.295, 1183.8895)(645.296, 495.245) 20 620.3027 620.3027@13.805041 + 1000.5922@13.820847 13.820847 (1001.5995, 2872.566)(1002.60187, 1675.1641)(1003.6045, 531.452) 5 1000.5922 1000.5922@13.820847 + 661.3292@13.797925 13.797925 (662.3361, 1264.83)(663.3384, 898.8)(679.36334, 22519.547)(680.3663, 7891.8413)(681.3659, 1878.6744)(682.3651, 416.46402)(684.31775, 5209.356)(685.3214, 1907.5115)(686.3236, 531.3725) 7 661.3292 661.3292@13.797925 + 740.346@13.8175745 13.8175745 (741.3534, 5442.0117)(742.35645, 2218.55)(743.3599, 727.04) 7 740.346 740.346@13.8175745 + 655.5221@13.817434 13.817434 (656.52985, 2818.5454)(657.5323, 1035.358)(658.53357, 580.61) 11 655.5221 655.5221@13.817434 + 611.4971@13.8402 13.8402 (612.5038, 3349.1743)(613.50696, 1181.5901)(614.5084, 532.72) 5 611.4971 611.4971@13.8402 + 358.3079@13.826297 13.826297 (359.31494, 4021.7998)(360.3187, 911.0)(376.341, 5114.32)(377.3435, 1059.03)(381.297, 4444.54)(382.3005, 1066.9) 2 358.3079 358.3079@13.826297 + 510.3526@13.838893 13.838893 (511.36, 1493.6012)(512.36334, 538.3251) 18 510.3526 510.3526@13.838893 + 567.4696@13.863504 13.863504 (568.47723, 2837.425)(569.481, 973.7125) 4 567.4696 567.4696@13.863504 + 523.4421@13.903961 13.903961 (524.44904, 2313.845)(525.4518, 691.6275) 4 523.4421 523.4421@13.903961 + 479.418@13.92219 13.92219 (480.42548, 1984.51)(481.42792, 592.095) 2 479.418 479.418@13.92219 + 855.5617@13.932646 13.932646 (856.5681, 9771.165)(857.57135, 4282.98)(858.5746, 314.39) 2 855.5617 855.5617@13.932646 + 741.5555@13.996 13.996 (742.5628, 1006.25)(743.5662, 476.3) 1 741.5555 741.5555@13.996 + 390.277@14.025104 14.025104 (803.5442, 924.896)(804.5538, 695.91)(391.28433, 33273.195)(392.28732, 7546.8203)(393.29214, 1642.3219)(394.2929, 308.83502)(413.26587, 4400.7446)(414.26938, 1135.6459)(415.2704, 390.24) 66 390.277 390.277@14.025104 + 166.0262@14.06 14.06 (167.0334, 725.23)(149.0229, 4818.43)(150.0257, 541.2) 1 166.0262 166.0262@14.06 + 609.4802@14.038124 14.038124 (610.48785, 1096.285)(611.4907, 415.41998) 2 609.4802 609.4802@14.038124 + 358.3072@14.077368 14.077368 (359.31482, 499.55002)(376.33902, 689.52)(381.29703, 2836.4177)(382.30127, 644.625) 4 358.3072 358.3072@14.077368 + 841.5569@14.092 14.092 (842.5624, 366.48)(824.5541, 837.54)(825.5596, 163.29)(826.5519, 1699.11)(827.5532, 883.02)(828.5474, 623.41) 1 841.5569 841.5569@14.092 + 545.3454@14.024529 14.024529 (546.3533, 1806.4867)(547.35834, 560.7767) 3 545.3454 545.3454@14.024529 + 370.3078@14.056965 14.056965 (371.31522, 3399.2021)(372.31873, 835.3627)(373.32773, 524.92)(388.34155, 1014.9978)(389.34485, 425.13333)(393.2957, 911.0142)(394.30115, 393.875) 68 370.3078 370.3078@14.056965 + 785.5934@14.05451 14.05451 (786.6009, 23412.135)(787.60376, 9641.099)(788.60394, 8350.469)(789.60297, 2856.1785)(790.6162, 1830.84)(791.6011, 441.17)(808.5813, 5951.3257)(809.58484, 2574.14)(810.5859, 6205.08)(811.59064, 2145.7434)(812.6178, 3145.99) 9 785.5934 785.5934@14.05451 + 327.3129@14.03691 14.03691 (328.32043, 2004.4224)(329.32312, 483.14447) 9 327.3129 327.3129@14.03691 + 787.5461@14.1 14.1 (788.5534, 11635.49)(789.551, 5947.99)(790.5541, 2608.93) 1 787.5461 787.5461@14.1 + 422.3003@14.131 14.131 (423.3076, 1076.14) 1 422.3003 422.3003@14.131 + 521.4283@14.091631 14.091631 (522.43506, 1244.15)(523.4375, 467.12) 2 521.4283 521.4283@14.091631 + 856.5845@14.113296 14.113296 (857.5949, 1598.6266)(858.59454, 1355.4033)(859.5835, 1002.7) 3 856.5845 856.5845@14.113296 + 812.5644@14.138677 14.138677 (813.5784, 2905.1318)(814.57874, 1760.698)(815.5648, 1251.92) 6 812.5644 812.5644@14.138677 + 562.395@14.1169615 14.1169615 (563.40216, 1765.7233) 3 562.395 562.395@14.1169615 + 562.7277@14.158 14.158 (563.735, 1295.33) 1 562.7277 562.7277@14.158 + 835.0784@14.125613 14.125613 (836.0857, 1926.6838)(837.0884, 650.48334) 8 835.0784 835.0784@14.125613 + 857.0903@14.117302 14.117302 (858.0986, 1940.7767)(859.1039, 608.62) 3 857.0903 857.0903@14.117302 + 576.7356@14.118287 14.118287 (577.74304, 1787.0734)(578.7461, 477.41) 3 576.7356 576.7356@14.118287 + 813.0661@14.123657 14.123657 (814.0727, 2034.3495)(815.07495, 670.9283) 15 813.0661 813.0661@14.123657 + 547.7191@14.120927 14.120927 (548.72626, 1795.2633) 3 547.7191 547.7191@14.120927 + 547.3849@14.12027 14.12027 (548.3926, 1796.3301)(549.3995, 569.61) 4 547.3849 547.3849@14.12027 + 878.6014@14.1206045 14.1206045 (879.60956, 1383.02)(880.60596, 733.72675) 3 878.6014 878.6014@14.1206045 + 577.0701@14.116668 14.116668 (578.0771, 1511.8099) 3 577.0701 577.0701@14.116668 + 548.0537@14.166 14.166 (549.061, 1395.17) 1 548.0537 548.0537@14.166 + 591.4134@14.12324 14.12324 (592.4205, 1382.68)(593.4258, 571.54) 3 591.4134 591.4134@14.12324 + 591.7457@14.122268 14.122268 (592.7521, 1295.4266) 3 591.7457 591.7457@14.122268 + 790.5515@14.124681 14.124681 (791.55914, 2400.3267)(792.5629, 1111.6696)(793.57074, 439.5) 29 790.5515 790.5515@14.124681 + 879.1041@14.17 14.17 (880.1114, 1532.03) 1 879.1041 879.1041@14.17 + 532.7089@14.129181 14.129181 (533.7166, 1643.0865)(534.7198, 387.87) 3 532.7089 532.7089@14.129181 + 791.0518@14.12134 14.12134 (792.0598, 2488.127)(793.06195, 658.8064) 21 791.0518 791.0518@14.12134 + 533.0447@14.127541 14.127541 (534.0522, 1419.0468) 3 533.0447 533.0447@14.127541 + 533.3787@14.173 14.173 (534.386, 1145.42) 1 533.3787 533.3787@14.173 + 606.0862@14.179 14.179 (607.0934, 1195.75) 1 606.0862 606.0862@14.179 + 606.4217@14.179 14.179 (607.429, 1310.37) 1 606.4217 606.4217@14.179 + 900.6137@14.18 14.18 (901.621, 1190.23)(902.6208, 666.91) 1 900.6137 900.6137@14.18 + 518.3684@14.18 14.18 (519.3757, 1470.9) 1 518.3684 518.3684@14.18 + 769.0393@14.133071 14.133071 (770.0468, 2309.3901)(771.0495, 741.4035) 43 769.0393 769.0393@14.133071 + 768.5383@14.136478 14.136478 (769.54626, 2536.1887)(770.5506, 1109.0453)(771.5475, 532.358) 49 768.5383 768.5383@14.136478 + 933.6315@14.128034 14.128034 (934.63885, 5605.905)(935.64294, 3327.892)(936.6448, 1290.245)(937.6237, 622.06) 31 933.6315 933.6315@14.128034 + 518.0354@14.183 14.183 (519.0427, 1862.39) 1 518.0354 518.0354@14.183 + 938.5867@14.128545 14.128545 (939.5939, 3491.2478)(940.5974, 2024.7379)(941.5999, 818.5504)(942.6013, 281.08) 35 938.5867 938.5867@14.128545 + 954.5598@14.121696 14.121696 (955.5673, 1955.0942)(956.5709, 1170.1221)(957.57227, 556.4543) 23 954.5598 954.5598@14.121696 + 974.656@14.131172 14.131172 (975.6645, 2415.916)(976.66797, 1509.5137)(977.67035, 666.50085) 38 974.656 974.656@14.131172 + 747.0264@14.154031 14.154031 (748.0337, 2585.2495)(749.0368, 769.1826) 54 747.0264 747.0264@14.154031 + 746.5252@14.160281 14.160281 (747.53296, 2974.7747)(748.5378, 1174.7651)(749.542, 556.825) 60 746.5252 746.5252@14.160281 + 503.3593@14.195 14.195 (504.3666, 1394.24) 1 503.3593 503.3593@14.195 + 620.7613@14.195 14.195 (621.7686, 1001.44) 1 620.7613 620.7613@14.195 + C29 H9 N8 O16 14.173547 [ C29 H9 N8 O16, mfg=71.19, overall=71.19 ] (726.02057, 2933.2327)(727.02344, 796.1658) 64 725.0136 C29 H9 N8 O16 + 724.5116@14.176129 14.176129 (725.51935, 3602.3328)(726.52264, 1309.2864)(727.5245, 660.12335) 68 724.5116 724.5116@14.176129 + 488.6843@14.212 14.212 (489.6915, 1081.89) 1 488.6843 488.6843@14.212 + 702.4997@14.192953 14.192953 (703.50726, 4393.2744)(704.51056, 1490.3445)(705.5138, 628.8725) 68 702.4997 702.4997@14.192953 + 703.0009@14.193227 14.193227 (704.00775, 3356.924)(705.01056, 765.6587) 67 703.0009 703.0009@14.193227 + 873.568@14.24312 14.24312 (874.573, 1749.4451)(875.5747, 974.775)(876.5875, 499.19) 2 873.568 873.568@14.24312 + 680.9873@14.211659 14.211659 (681.995, 3776.5798)(682.99744, 748.7487) 68 680.9873 680.9873@14.211659 + 680.4863@14.211934 14.211934 (681.49286, 5110.483)(682.49634, 1625.5391)(683.49817, 561.698) 68 680.4863 680.4863@14.211934 + 855.559@14.257 14.257 (856.5662, 2484.97)(857.5574, 1834.02)(858.5773, 1516.49) 1 855.559 855.559@14.257 + 596.4793@14.219274 14.219274 (597.4869, 1797.7214)(598.4894, 825.8443)(599.4901, 304.4) 7 596.4793 596.4793@14.219274 + 658.9741@14.231752 14.231752 (659.9814, 4157.592)(660.9842, 757.62085) 67 658.9741 658.9741@14.231752 + 658.4729@14.231507 14.231507 (659.4802, 5760.9624)(660.4834, 1727.2146)(661.4859, 651.07996) 67 658.4729 658.4729@14.231507 + 833.5785@14.246933 14.246933 (834.58563, 29536.506)(835.58856, 12417.289)(836.5833, 2851.4734)(837.57837, 842.8) 3 833.5785 833.5785@14.246933 + 771.5424@14.353002 14.353002 (772.55096, 1319.9268)(773.5552, 624.8333)(774.5387, 1503.9)(775.5384, 248.05)(776.5433, 644.39)(789.5728, 815.88) 3 771.5424 771.5424@14.353002 + 811.5397@14.274 14.274 (812.547, 3411.71)(813.5591, 1710.16)(814.5595, 2211.01)(815.5613, 862.47)(816.5733, 1785.16) 1 811.5397 811.5397@14.274 + 701.2049@14.244591 14.244591 (702.2121, 1306.873)(703.213, 869.2362)(704.21136, 706.3579) 63 701.2049 701.2049@14.244591 + 851.5459@14.2575865 14.2575865 (852.55365, 1822.6963)(853.5569, 1034.7788)(854.56036, 464.55667) 8 851.5459 851.5459@14.2575865 + 636.9616@14.253227 14.253227 (637.96875, 4189.733)(638.9716, 734.64886) 68 636.9616 636.9616@14.253227 + 636.4596@14.25358 14.25358 (637.4671, 6028.9634)(638.47003, 1710.151)(639.47327, 572.9525) 68 636.4596 636.4596@14.25358 + 614.4474@14.276649 14.276649 (615.454, 5813.73)(616.4571, 1515.4559)(617.46063, 569.75336) 68 614.4474 614.4474@14.276649 + C19 H7 N2 O22 14.276125 [ C19 H7 N2 O22, mfg=75.27, overall=75.27 ] (615.95575, 3863.3577)(616.9585, 716.77747) 67 614.9486 C19 H7 N2 O22 + 337.3342@14.286557 14.286557 (675.67596, 59599.59)(676.67914, 29034.197)(677.68207, 7477.3735)(678.6848, 1713.0941)(679.68787, 408.2)(697.65704, 2135.5244)(698.66, 1149.7755)(699.6634, 607.7413)(338.3419, 60753.73)(339.345, 12449.197)(340.34808, 1823.9996)(341.35114, 349.82858)(360.3235, 13796.662)(361.32663, 3269.1907)(362.3326, 806.7079) 68 337.3342 337.3342@14.286557 + 395.3874@14.284756 14.284756 (396.39444, 3396.674)(397.39783, 995.68646) 55 395.3874 395.3874@14.284756 + 375.2918@14.290318 14.290318 (376.29868, 1491.9584)(377.302, 452.69998) 6 375.2918 375.2918@14.290318 + 381.3712@14.280316 14.280316 (382.37857, 1196.4294)(383.39148, 653.8483) 14 381.3712 381.3712@14.280316 + 1167.841@14.302965 14.302965 (1168.8481, 2841.2402)(1169.8505, 1799.69)(1170.8539, 787.74) 4 1167.841 1167.841@14.302965 + 592.9357@14.304111 14.304111 (593.9427, 3527.588)(594.94574, 698.82227) 66 592.9357 592.9357@14.304111 + 592.4339@14.300739 14.300739 (593.4412, 5498.962)(594.4439, 1384.9816)(595.4459, 486.715) 66 592.4339 592.4339@14.300739 + 1123.8137@14.325891 14.325891 (1124.8212, 2446.4597)(1125.824, 1539.84)(1126.8263, 757.40753) 7 1123.8137 1123.8137@14.325891 + 570.4208@14.328198 14.328198 (571.4281, 5355.8)(572.4311, 1257.7313)(573.4468, 400.83) 65 570.4208 570.4208@14.328198 + 570.9223@14.328917 14.328917 (571.9296, 3232.4937)(572.932, 715.2811) 67 570.9223 570.9223@14.328917 + 1079.7878@14.350916 14.350916 (1080.7948, 2386.751)(1081.7977, 1406.7521)(1082.8015, 721.668)(1083.799, 166.33) 10 1079.7878 1079.7878@14.350916 + 548.9092@14.353121 14.353121 (549.9166, 2822.603)(550.9195, 718.2092) 64 548.9092 548.9092@14.353121 + 548.4077@14.354194 14.354194 (549.4148, 4620.3247)(550.41797, 1043.3058)(551.4197, 507.71) 65 548.4077 548.4077@14.354194 + C24 H54 N4 O8 14.380215 [ C24 H54 N4 O8, mfg=78.13, overall=78.13 ] (527.4019, 3675.4612)(528.4047, 847.59973) 64 526.3946 C24 H54 N4 O8 + 1035.762@14.368736 14.368736 (1036.7695, 2447.9866)(1037.7723, 1395.092)(1038.775, 728.25)(1039.7795, 273.41) 14 1035.762 1035.762@14.368736 + 526.8959@14.376696 14.376696 (527.9036, 2339.4456)(528.9067, 640.0) 55 526.8959 526.8959@14.376696 + 479.2707@14.438 14.438 (480.278, 1502.29)(481.2816, 428.96) 1 479.2707 479.2707@14.438 + 497.2812@14.369794 14.369794 (498.28802, 2294.2812)(499.29166, 694.2675)(500.28934, 396.59335)(480.2775, 1701.0499)(481.28018, 607.96594)(482.2802, 376.51) 16 497.2812 497.2812@14.369794 + 833.5775@14.412648 14.412648 (834.58527, 8699.054)(835.5872, 4095.5935)(836.57196, 779.405) 3 833.5775 833.5775@14.412648 + 991.7369@14.396492 14.396492 (992.7438, 2400.0354)(993.7466, 1312.9644)(994.74945, 853.23663)(995.752, 329.56) 21 991.7369 991.7369@14.396492 + 504.3816@14.408527 14.408527 (505.389, 2438.703)(506.39166, 720.66815) 59 504.3816 504.3816@14.408527 + 504.8827@14.398816 14.398816 (505.89023, 2078.1135)(506.8922, 545.0567) 25 504.8827 504.8827@14.398816 + 789.5524@14.381412 14.381412 (790.55963, 8750.002)(791.5619, 3790.282)(792.5664, 1379.5099)(793.5681, 520.1967)(812.5383, 451.06) 12 789.5524 789.5524@14.381412 + 947.711@14.421408 14.421408 (948.7175, 2434.61)(949.7207, 1264.6318)(950.7245, 766.9389)(951.7265, 290.33) 29 947.711 947.711@14.421408 + 482.3688@14.428573 14.428573 (483.37582, 1938.0426)(484.3788, 577.9457) 16 482.3688 482.3688@14.428573 + 482.8705@14.429239 14.429239 (483.87726, 2049.785) 4 482.8705 482.8705@14.429239 + 859.5993@14.452408 14.452408 (860.6079, 1698.9551)(861.61176, 942.2125)(862.6062, 458.28)(882.58765, 1088.6725)(883.5831, 703.375) 4 859.5993 859.5993@14.452408 + 386.3393@14.427171 14.427171 (795.6664, 520.3857)(796.6587, 426.04666)(387.34644, 1899.919)(388.349, 746.2741)(404.37296, 3198.4124)(405.3761, 1069.5773)(406.3801, 534.4)(409.32855, 4711.6064)(410.33176, 1163.5726)(411.33444, 372.17502) 43 386.3393 386.3393@14.427171 + 855.5601@14.466047 14.466047 (856.56824, 1891.1476)(857.5703, 1000.6825)(858.5797, 519.82) 4 855.5601 855.5601@14.466047 + 903.6842@14.451377 14.451377 (904.6916, 2291.7417)(905.69507, 1168.9336)(906.69836, 709.291)(907.7021, 192.09) 34 903.6842 903.6842@14.451377 + 460.3552@14.482187 14.482187 (461.36212, 1689.065) 2 460.3552 460.3552@14.482187 + 859.6564@14.488419 14.488419 (860.6633, 2214.2568)(861.6669, 1060.5852)(862.6647, 806.95135)(863.6707, 226.0) 33 859.6564 859.6564@14.488419 + 622.4953@14.47486 14.47486 (623.50214, 2516.106)(624.5054, 1102.8126)(625.51013, 497.47626) 23 622.4953 622.4953@14.47486 + 882.5257@14.482408 14.482408 (883.53467, 1722.3766)(884.5379, 907.7808)(885.543, 434.04248)(900.55695, 1286.4258)(901.5594, 696.93146)(902.5668, 397.0)(905.5143, 563.12115)(906.5204, 433.95) 12 882.5257 882.5257@14.482408 + 877.5611@14.526335 14.526335 (878.568, 2958.6382)(879.5713, 1695.921)(880.5738, 750.88)(881.57227, 230.98999)(900.5527, 335.36) 18 877.5611 877.5611@14.526335 + 771.6052@14.55436 14.55436 (772.61163, 2251.6753)(773.6163, 967.30164)(774.6033, 453.05) 13 771.6052 771.6052@14.55436 + 727.5793@14.592212 14.592212 (728.58685, 1971.7032)(729.58984, 848.18945)(730.5843, 558.838) 15 727.5793 727.5793@14.592212 + 683.5536@14.6336 14.6336 (684.56134, 2159.9756)(685.5636, 862.4086)(686.5661, 400.82) 7 683.5536 683.5536@14.6336 + 827.5454@14.687436 14.687436 (828.55273, 2982.33)(829.55615, 1637.2726)(830.5614, 615.96716) 17 827.5454 827.5454@14.687436 + 639.5273@14.668269 14.668269 (640.5348, 1588.717)(641.5376, 634.20715) 7 639.5273 639.5273@14.668269 + 595.5015@14.696612 14.696612 (596.5083, 1700.8232)(597.51215, 629.29333) 3 595.5015 595.5015@14.696612 + 466.3774@14.78 14.78 (467.3847, 1061.53)(468.3897, 472.38) 1 466.3774 466.3774@14.78 + 551.4737@14.743762 14.743762 (552.482, 1244.1499)(553.4851, 466.58997) 3 551.4737 551.4737@14.743762 + 1151.7234@14.838 14.838 (1152.7307, 1012.28)(1153.7368, 847.66)(1154.7441, 537.78) 1 1151.7234 1151.7234@14.838 + 815.567@14.840778 14.840778 (816.5775, 6966.3745)(817.58044, 3383.639)(818.5893, 3344.4497)(819.5928, 1414.3015)(820.57947, 380.03998)(798.563, 775.82)(799.5677, 608.83) 8 815.567 815.567@14.840778 + 598.4956@14.844571 14.844571 (599.50287, 14802.971)(600.506, 5650.88)(601.5086, 1426.0272)(602.51154, 265.6773) 60 598.4956 598.4956@14.844571 + 858.5251@14.833057 14.833057 (859.532, 5627.5195)(860.5362, 2653.778)(861.5391, 1106.8934)(862.55023, 287.62)(876.5579, 2442.7922)(877.5616, 1598.1035)(878.5669, 992.57574)(879.5715, 562.2933)(881.5141, 973.1354)(882.5184, 529.597) 48 858.5251 858.5251@14.833057 + 624.5112@14.845674 14.845674 (625.51794, 4045.569)(626.52136, 1766.5247)(627.52423, 654.77545) 47 624.5112 624.5112@14.845674 + 884.54@14.834537 14.834537 (885.54767, 2505.9292)(886.5525, 1312.3556)(887.557, 524.65466)(902.5737, 1118.2239)(903.57196, 660.23785)(904.5825, 389.26602)(907.52875, 402.93253) 22 884.54 884.54@14.834537 + 579.4259@14.854301 14.854301 (580.4328, 3506.4065)(581.4363, 1224.32)(582.4386, 592.52) 6 579.4259 579.4259@14.854301 + 444.36@14.856424 14.856424 (445.36707, 2052.9062)(446.3704, 687.14874) 8 444.36 444.36@14.856424 + 771.5446@14.837891 14.837891 (772.5521, 5378.561)(773.55676, 2398.3071)(774.5699, 1695.33)(775.5732, 742.96)(776.5737, 83.47) 10 771.5446 771.5446@14.837891 + 863.5819@14.878357 14.878357 (864.5893, 2854.0913)(865.5918, 1677.4486)(866.5958, 903.245)(867.5941, 187.31) 7 863.5819 863.5819@14.878357 + 853.561@14.922731 14.922731 (854.5684, 14499.986)(855.5715, 7955.0522)(856.57605, 2643.429)(857.58167, 575.7765)(858.5847, 329.96667)(876.5538, 1378.9045)(877.5566, 996.8071)(878.5628, 383.36) 56 853.561 853.561@14.922731 + 669.459@14.987018 14.987018 (670.4668, 1499.9042)(671.4704, 659.23083) 12 669.459 669.459@14.987018 + 879.5754@14.948021 14.948021 (880.5835, 1410.2351) 2 879.5754 879.5754@14.948021 + 1137.7452@15.013772 15.013772 (1138.7518, 1773.5128)(1139.7552, 1325.6514)(1140.7609, 586.3233) 7 1137.7452 1137.7452@15.013772 + 870.5946@15.056 15.056 (871.6019, 1040.01)(872.6011, 333.35) 1 870.5946 870.5946@15.056 + 761.5019@15.064 15.064 (762.5091, 2119.55)(763.5119, 967.02)(764.5172, 371.49) 1 761.5019 761.5019@15.064 + 869.5917@15.102471 15.102471 (870.5997, 1668.3944)(871.60345, 998.6817)(872.60614, 486.715) 7 869.5917 869.5917@15.102471 + 884.5401@15.118255 15.118255 (885.5473, 1594.4591)(886.55316, 853.41547)(887.55756, 437.56665)(902.574, 753.36755)(903.5763, 551.88495) 11 884.5401 884.5401@15.118255 + 624.5108@15.12281 15.12281 (625.51825, 3430.7407)(626.52136, 1539.5518)(627.5248, 414.90375) 16 624.5108 624.5108@15.12281 + 600.5105@15.165581 15.165581 (601.51794, 3102.5894)(602.5213, 1487.3889)(603.52466, 520.956) 25 600.5105 600.5105@15.165581 + 574.4954@15.190783 15.190783 (575.50256, 6582.122)(576.5058, 2660.4067)(577.50916, 884.8319)(578.5115, 117.945) 52 574.4954 574.4954@15.190783 + 710.4869@15.170615 15.170615 (711.4936, 1408.2666)(712.49713, 720.90497) 12 710.4869 710.4869@15.170615 + 669.4594@15.171215 15.171215 (670.4667, 2743.4282)(671.4704, 1187.1638)(672.4738, 488.00775) 27 669.4594 669.4594@15.171215 + 803.548@15.295325 15.295325 (804.55426, 64602.953)(805.55695, 29007.422)(806.5609, 6201.369)(807.5645, 1393.792)(826.53784, 1704.3267)(827.54047, 768.1433)(828.5472, 446.38) 9 803.548 803.548@15.295325 + 717.5366@15.274725 15.274725 (718.5433, 1507.007)(719.54694, 758.5929)(720.5495, 406.27)(740.5242, 488.75833) 7 717.5366 717.5366@15.274725 + 365.3655@15.294388 15.294388 (731.7388, 952.6)(732.7379, 554.88)(366.37277, 2525.9182)(367.3758, 776.69006)(388.35355, 587.26245) 12 365.3655 365.3655@15.294388 + 817.5826@15.377 15.377 (818.5899, 17870.56)(819.5929, 7649.58)(820.5927, 1881.21) 1 817.5826 817.5826@15.377 + 829.5612@15.428435 15.428435 (830.5692, 39404.844)(831.57214, 18631.123)(832.5758, 4273.087)(833.5801, 980.3187)(834.59283, 429.715)(852.5517, 1376.0085)(853.55524, 796.5984)(854.563, 537.66003) 43 829.5612 829.5612@15.428435 + 339.3499@15.384307 15.384307 (679.7066, 492.02)(340.35693, 2090.923)(341.36017, 555.362) 7 339.3499 339.3499@15.384307 + 887.612@15.413465 15.413465 (888.6196, 1328.057)(889.6236, 783.7507)(890.61255, 403.36002) 14 887.612 887.612@15.413465 + 600.5108@15.395422 15.395422 (601.51794, 2964.017)(602.5212, 1367.214)(603.52563, 439.21835) 10 600.5108 600.5108@15.395422 + 872.5407@15.466368 15.466368 (873.5484, 1331.075)(874.5543, 701.95496) 2 872.5407 872.5407@15.466368 + 612.5106@15.39927 15.39927 (613.518, 2075.5115)(614.5214, 955.69257)(615.5221, 382.21002) 13 612.5106 612.5106@15.39927 + 444.3598@15.437991 15.437991 (445.36688, 1575.264)(446.37192, 484.16202)(447.3509, 910.86) 5 444.3598 444.3598@15.437991 + 737.4995@15.509 15.509 (738.5068, 1558.35)(739.511, 717.99) 1 737.4995 737.4995@15.509 + 414.3699@15.474432 15.474432 (415.37762, 834.51373)(416.38034, 429.40332)(432.40375, 1600.0406)(433.4068, 532.88904)(437.35947, 649.43665) 16 414.3699 414.3699@15.474432 + 845.5931@15.5858345 15.5858345 (846.6033, 1942.4)(847.60645, 1041.925)(848.61206, 344.86) 2 845.5931 845.5931@15.5858345 + 910.5551@15.534717 15.534717 (911.5625, 2491.865)(912.5662, 1321.271)(913.56946, 479.07858)(928.58923, 1390.405)(929.59247, 766.99005)(930.596, 452.36)(933.5444, 513.1075) 10 910.5551 910.5551@15.534717 + 650.5262@15.525916 15.525916 (651.53345, 4049.0242)(652.5367, 1906.1646)(653.5398, 649.592) 16 650.5262 650.5262@15.525916 + 765.5295@15.625 15.625 (766.5367, 1596.64)(767.5404, 415.79) 1 765.5295 765.5295@15.625 + 855.5763@15.601104 15.601104 (856.58594, 4008.4968)(857.58905, 2388.0598)(858.5892, 851.27)(859.5834, 51.14) 3 855.5763 855.5763@15.601104 + 881.5903@15.72 15.72 (882.5976, 1015.45)(883.5994, 602.12) 1 881.5903 881.5903@15.72 + 468.3575@15.715964 15.715964 (469.36438, 3452.3376)(470.3676, 1084.7798)(471.37183, 354.83835) 60 468.3575 468.3575@15.715964 + 914.7322@15.709187 15.709187 (915.7391, 3002.541)(916.7422, 1892.8353)(917.746, 750.97754)(918.7475, 94.17667) 50 914.7322 914.7322@15.709187 + 428.3651@15.730018 15.730018 (429.3727, 29051.73)(430.376, 7828.425)(431.37866, 1571.8372)(432.38095, 251.02832) 64 428.3651 428.3651@15.730018 + 753.5302@15.843255 15.843255 (754.5373, 4419.0903)(755.54034, 2186.9304)(756.5449, 207.18251) 16 753.5302 753.5302@15.843255 + 863.614@15.8821945 15.8821945 (864.6209, 2635.4849)(865.6233, 1277.22)(866.6204, 403.78333) 4 863.614 863.614@15.8821945 + 827.544@15.844652 15.844652 (828.55096, 3927.401)(829.55414, 1990.4673) 23 827.544 827.544@15.844652 + 817.5637@15.871389 15.871389 (818.57074, 5835.182)(819.5734, 2971.0645)(820.5788, 1349.2595)(821.58356, 353.40366)(835.5998, 732.32)(836.6044, 365.64) 23 817.5637 817.5637@15.871389 + 831.5759@15.849 15.849 (832.5839, 5823.61)(814.5712, 846.84)(815.5749, 714.05) 1 831.5759 831.5759@15.849 + 600.5108@15.854 15.854 (601.5181, 1126.72)(602.5213, 520.73) 1 600.5108 600.5108@15.854 + 791.5471@15.8994055 15.8994055 (792.554, 14584.339)(793.55664, 6620.4844)(794.5608, 1651.7081)(795.5651, 325.20663) 24 791.5471 791.5471@15.8994055 + 767.5457@15.88 15.88 (768.553, 2187.33)(769.5557, 1173.0) 1 767.5457 767.5457@15.88 + 737.514@15.8925495 15.8925495 (738.52277, 1750.9758)(739.52606, 942.01404)(740.5259, 426.29) 7 737.514 737.514@15.8925495 + 588.5111@15.886242 15.886242 (589.51843, 1147.935)(590.5209, 479.98) 2 588.5111 588.5111@15.886242 + 799.5741@15.956454 15.956454 (800.58325, 16162.797)(801.5866, 6881.592)(802.5761, 2782.75) 6 799.5741 799.5741@15.956454 + 779.5489@15.990653 15.990653 (780.55536, 366852.88)(781.55835, 171946.08)(782.5667, 84888.81)(783.5686, 346.97)(802.53705, 3602.3855)(803.5434, 1765.4629) 26 779.5489 779.5489@15.990653 + 716.5467@15.9477215 15.9477215 (717.55383, 1157.9751)(718.55585, 602.83997) 2 716.5467 716.5467@15.9477215 + 815.584@15.98929 15.98929 (816.59125, 3079.714)(817.594, 1806.2944) 9 815.584 815.584@15.98929 + 857.5922@15.997814 15.997814 (858.5995, 1296.5547)(859.6025, 697.63605)(860.60974, 362.875) 15 857.5922 857.5922@15.997814 + 726.5658@15.990422 15.990422 (727.5729, 1237.485)(728.5741, 624.39746) 4 726.5658 726.5658@15.990422 + 755.5483@16.02637 16.02637 (756.5555, 187768.61)(757.55804, 78165.55)(758.5627, 15379.718)(759.56683, 2071.4648) 11 755.5483 755.5483@16.02637 + 781.5626@15.987 15.987 (782.5699, 578992.44)(783.5748, 230088.64)(784.5771, 49507.72)(785.5792, 7532.35) 1 781.5626 781.5626@15.987 + 729.5309@16.018751 16.018751 (730.538, 10982.195)(731.541, 4444.963)(732.5448, 1231.9885) 7 729.5309 729.5309@16.018751 + 767.5464@16.03385 16.03385 (768.55365, 4497.89)(769.5564, 2157.0535)(770.5599, 690.99677) 3 767.5464 767.5464@16.03385 + 886.5557@16.05813 16.05813 (887.5633, 16496.945)(888.5668, 7731.835)(889.56976, 2195.836)(890.5755, 488.17786)(904.5896, 4623.814)(905.5928, 2329.6328)(906.59576, 896.8629)(907.5987, 119.1089)(909.5446, 932.45)(910.54803, 568.43604) 43 886.5557 886.5557@16.05813 + 626.5272@16.057543 16.057543 (627.53485, 54582.074)(628.53784, 21491.139)(629.5405, 4271.63)(630.5436, 720.951) 43 626.5272 626.5272@16.057543 + 428.3649@16.101875 16.101875 (429.37225, 1400.199)(430.3764, 525.48) 27 428.3649 428.3649@16.101875 + 789.5377@16.277807 16.277807 (790.5469, 4173.805)(791.5489, 2050.1553)(792.55615, 851.325) 13 789.5377 789.5377@16.277807 + 699.5631@16.305252 16.305252 (700.5709, 1272.489) 10 699.5631 699.5631@16.305252 + 763.5169@16.354313 16.354313 (764.5239, 13201.92)(765.52686, 5720.107)(766.5325, 1291.9355)(767.53973, 145.20001) 34 763.5169 763.5169@16.354313 + 886.5565@16.477 16.477 (887.5639, 14186.05)(888.5668, 6799.91)(889.5705, 1935.77)(890.5909, 399.2)(904.5898, 4320.44)(905.5929, 2181.21)(906.5954, 668.13) 1 886.5565 886.5565@16.477 + 626.5278@16.479 16.479 (627.5351, 48255.37)(628.538, 18261.76)(629.5408, 3430.97)(630.5433, 653.02) 1 626.5278 626.5278@16.479 + 857.5921@16.5468 16.5468 (858.5995, 2218.7246)(859.6027, 1226.6421)(860.60724, 512.58) 19 857.5921 857.5921@16.5468 + 697.4911@16.508768 16.508768 (698.4979, 2866.3386)(699.50165, 1301.8833)(700.5053, 533.8386) 54 697.4911 697.4911@16.508768 + 777.5561@16.690737 16.690737 (778.5576, 1390.815)(779.56323, 804.67) 4 777.5561 777.5561@16.690737 + 794.566@16.70605 16.70605 (795.5731, 2555.4326)(796.5781, 732.3467) 4 794.566 794.566@16.70605 + 801.5882@16.738663 16.738663 (802.5952, 9529.8545)(803.5991, 4231.665) 2 801.5882 801.5882@16.738663 + 819.5774@16.737 16.737 (820.5847, 11082.508)(821.5876, 5417.44)(822.5955, 1919.6552)(823.60126, 472.57404)(824.5982, 155.32) 9 819.5774 819.5774@16.737 + 815.5822@16.74192 16.74192 (816.59143, 2917.272)(817.5942, 1713.752)(818.5995, 996.65607)(819.6, 321.32) 5 815.5822 815.5822@16.74192 + 789.5694@16.779768 16.779768 (790.57684, 11190.802)(791.57794, 5440.7593)(792.5864, 6492.537)(793.5905, 2539.8801)(794.5723, 3710.4568) 12 789.5694 789.5694@16.779768 + 769.5618@16.774206 16.774206 (770.56946, 16753.645)(771.5726, 7225.2705)(772.58295, 1638.7643)(773.5827, 255.69666) 8 769.5618 769.5618@16.774206 + 743.5474@16.81993 16.81993 (744.55426, 27253.76)(745.5573, 10999.703)(746.56714, 2299.6934)(747.5706, 541.88) 3 743.5474 743.5474@16.81993 + 879.5828@16.817 16.817 (880.5901, 1006.2)(881.5936, 510.22) 1 879.5828 879.5828@16.817 + 602.5275@16.734713 16.734713 (603.5343, 11341.979)(604.53766, 4469.894)(605.54083, 1493.5101) 5 602.5275 602.5275@16.734713 + 862.557@16.80392 16.80392 (863.564, 3460.685)(864.57043, 1485.9551)(865.57526, 172.515)(880.5909, 975.07)(881.5938, 505.12) 2 862.557 862.557@16.80392 + 781.5636@16.933323 16.933323 (782.571, 1320047.6)(783.5752, 660289.7)(784.57825, 111861.46)(785.5808, 27010.176)(804.553, 3835.7402)(805.55835, 1995.9199) 18 781.5636 781.5636@16.933323 + 773.541@16.924776 16.924776 (774.5473, 2019.7399)(775.5503, 1045.0782)(776.56354, 422.4) 6 773.541 773.541@16.924776 + 820.582@17.001966 17.001966 (821.5885, 13651.458)(822.5918, 3069.5396)(823.5953, 509.52335) 7 820.582 820.582@17.001966 + 718.561@17.006725 17.006725 (719.5682, 1169.3867)(720.57275, 540.4)(721.5826, 649.8566) 3 718.561 718.561@17.006725 + 819.5784@16.980661 16.980661 (820.5846, 18811.414)(821.5872, 7341.34)(822.59045, 1642.08)(823.5949, 439.49) 11 819.5784 819.5784@16.980661 + 628.5418@16.860434 16.860434 (629.54926, 2473.5896)(630.5526, 1220.0812)(631.5557, 438.50284) 22 628.5418 628.5418@16.860434 + 888.5716@16.880219 16.880219 (889.5784, 1233.234)(890.5856, 679.3125)(906.60504, 499.08334) 5 888.5716 888.5716@16.880219 + 747.5204@16.99129 16.99129 (748.5274, 6051.292)(749.53046, 2880.1912)(750.5348, 709.55707)(751.54254, 273.025) 28 747.5204 747.5204@16.99129 + 715.5519@17.065744 17.065744 (716.55884, 1649.6385)(717.5618, 738.35)(718.557, 336.73502) 8 715.5519 715.5519@17.065744 + 817.5984@17.07394 17.07394 (818.6057, 18669.377)(819.60864, 9150.774)(820.5882, 19473.14) 13 817.5984 817.5984@17.07394 + 728.5822@17.034777 17.034777 (729.58966, 4637.9766)(730.59064, 2183.0935)(731.58984, 637.57) 3 728.5822 728.5822@17.034777 + 702.5682@17.063206 17.063206 (703.576, 100599.63)(704.57874, 37997.4)(705.5807, 6861.3804)(706.5752, 808.995) 4 702.5682 702.5682@17.063206 + 753.565@17.079622 17.079622 (754.5721, 1245.7673)(755.5794, 708.34717) 8 753.565 753.565@17.079622 + 791.5833@17.094505 17.094505 (792.5901, 29671.268)(793.5931, 13356.0205)(794.5939, 4061.2273)(795.594, 792.70935) 16 791.5833 791.5833@17.094505 + 825.5882@17.056896 17.056896 (826.5962, 1264.4199)(827.60156, 634.68)(828.6092, 416.6) 3 825.5882 825.5882@17.056896 + 739.5153@17.0456 17.0456 (740.5249, 3847.287)(741.5284, 1878.5767)(742.5385, 479.2655) 25 739.5153 739.5153@17.0456 + 731.5478@17.114704 17.114704 (732.5546, 28550.076)(733.5573, 11180.592)(734.56055, 2608.2114)(735.56433, 352.93) 7 731.5478 731.5478@17.114704 + 388.2611@17.075483 17.075483 (389.26813, 2524.3828)(390.27155, 711.7945)(391.2787, 327.47)(371.25806, 1223.6106)(372.26077, 505.75833) 32 388.2611 388.2611@17.075483 + 1191.7913@17.139326 17.139326 (1192.799, 1484.7754)(1193.8026, 1165.2554) 22 1191.7913 1191.7913@17.139326 + 1193.8083@17.241985 17.241985 (1194.8153, 4758.786)(1195.8187, 3737.7456)(1196.8218, 1532.8828)(1197.8236, 398.67804) 50 1193.8083 1193.8083@17.241985 + 859.6086@17.9356 17.9356 (860.61554, 4037.8933)(861.61884, 2180.9868)(862.6221, 679.74)(863.623, 130.02) 9 859.6086 859.6086@17.9356 + 795.5783@17.914179 17.914179 (796.58496, 20926.186)(797.5877, 9691.851)(798.5906, 2277.6335)(799.5967, 500.87) 3 795.5783 795.5783@17.914179 + 741.5325@17.8554 17.8554 (742.5404, 2903.85)(743.5438, 1318.54)(744.5515, 484.92)(745.5555, 11.29) 2 741.5325 741.5325@17.8554 + 723.5195@17.836653 17.836653 (724.52673, 2268.3638)(725.53046, 1187.04)(726.5343, 416.09998) 5 723.5195 723.5195@17.836653 + 681.5331@17.908375 17.908375 (682.53937, 1584.686)(683.5424, 760.682) 5 681.5331 681.5331@17.908375 + 841.6302@18.161566 18.161566 (842.6373, 2340.885)(843.6401, 1235.84)(844.64276, 611.6133)(864.62384, 359.53) 10 841.6302 841.6302@18.161566 + 815.6154@18.158367 18.158367 (816.62286, 13979.373)(817.6257, 6285.7275)(818.6203, 2052.1482)(819.61633, 426.102) 19 815.6154 815.6154@18.158367 + 891.6459@18.169268 18.169268 (892.65314, 5133.134)(893.6564, 2844.576)(894.65936, 866.133) 10 891.6459 891.6459@18.169268 + 368.3443@18.21781 18.21781 (369.35153, 7721.1978)(370.35464, 2166.3901)(371.3567, 416.63635) 55 368.3443 368.3443@18.21781 + 791.5509@18.3241 18.3241 (792.55884, 11599.213)(793.5617, 5226.02) 4 791.5509 791.5509@18.3241 + 604.5425@18.659 18.659 (605.5497, 1565.02)(606.5527, 689.64) 1 604.5425 604.5425@18.659 + 767.5833@18.85122 18.85122 (768.59064, 48825.05)(769.5935, 20108.217)(770.595, 4097.973)(771.5961, 575.9467) 3 767.5833 767.5833@18.85122 + 847.6079@18.887 18.887 (848.6152, 2951.13)(849.6179, 1513.71)(850.6217, 585.83) 1 847.6079 847.6079@18.887 + 745.5625@18.981945 18.981945 (746.5697, 16536.564)(747.57263, 6892.87)(748.5748, 1846.21) 2 745.5625 745.5625@18.981945 + 797.592@18.975344 18.975344 (798.59985, 6632.327)(799.60486, 3880.025)(800.6105, 1179.0325) 4 797.592 797.592@18.975344 + 741.5657@18.95259 18.95259 (742.57306, 7212.08)(743.577, 3389.3499) 2 741.5657 741.5657@18.95259 + 817.599@19.00369 19.00369 (818.606, 7025.554)(819.60864, 3879.8376)(820.6162, 1732.84) 9 817.599 817.599@19.00369 + 771.5793@19.031 19.031 (772.5866, 134656.75)(773.5893, 56889.84)(774.5914, 11665.78)(775.594, 2301.55) 1 771.5793 771.5793@19.031 + 657.5323@19.05748 19.05748 (658.5396, 1420.99)(659.54126, 629.425) 2 657.5323 657.5323@19.05748 + 809.5955@19.218437 19.218437 (810.6027, 619578.4)(811.606, 311684.5)(812.60834, 78238.03)(813.6149, 12016.751)(814.6317, 1564.102)(815.6192, 680.74)(832.5824, 4763.715)(833.5856, 2530.1401) 6 809.5955 809.5955@19.218437 + 867.6456@19.211588 19.211588 (868.65265, 1732.8398)(869.65594, 975.92334)(870.6569, 437.22) 3 867.6456 867.6456@19.211588 + 699.5206@19.224 19.224 (700.5279, 1083.48)(701.5411, 257.07) 1 699.5206 699.5206@19.224 + 847.6086@19.318499 19.318499 (848.6151, 8446.808)(849.61847, 4346.76)(850.6225, 1307.2025)(851.6266, 129.495) 4 847.6086 847.6086@19.318499 + 775.5521@19.190046 19.190046 (776.55994, 7017.0996)(777.5625, 3316.6138)(778.567, 762.1071)(779.57025, 103.32) 8 775.5521 775.5521@19.190046 + 797.5931@19.345379 19.345379 (798.60046, 8771.27)(799.60376, 4354.125)(800.6104, 1340.84) 2 797.5931 797.5931@19.345379 + 837.6197@19.344883 19.344883 (838.6271, 8856.8545)(839.6322, 3089.795)(840.6352, 968.085) 2 837.6197 837.6197@19.344883 + 769.593@19.317 19.317 (770.6003, 10999.77)(771.6061, 4705.83) 1 769.593 769.593@19.317 + 845.6291@19.385347 19.385347 (846.63635, 1457.62)(847.63904, 795.14) 2 845.6291 845.6291@19.385347 + 717.5677@19.40383 19.40383 (718.5747, 2540.53)(719.57733, 1224.52)(720.5602, 855.18) 2 717.5677 717.5677@19.40383 + 743.5832@19.417316 19.417316 (744.59033, 31863.785)(745.5934, 12827.635)(746.583, 4702.755)(747.58093, 1114.945) 2 743.5832 743.5832@19.417316 + 819.6142@19.418322 19.418322 (820.6212, 21231.23)(821.62427, 10170.995)(822.6273, 3820.5)(823.6315, 1235.26) 2 819.6142 819.6142@19.418322 + 853.619@19.427814 19.427814 (854.62634, 8378.035)(855.6295, 4226.855)(856.6319, 1248.735)(857.6356, 116.01) 2 853.619 853.619@19.427814 + 827.6036@19.413 19.413 (828.6108, 7385.59)(829.6145, 3669.47)(830.6175, 1095.04) 1 827.6036 827.6036@19.413 + 733.5625@19.659 19.659 (734.5698, 26771.57)(735.5727, 10524.94)(736.5753, 2387.23)(737.5783, 194.16) 1 733.5625 733.5625@19.659 + 147.0108@0.79131293 0.79131293 (148.01779, 1264.7368) 9 147.0108 147.0108@0.79131293 + 124.9782@0.808622 0.808622 (125.98562, 1616.0908) 40 124.9782 124.9782@0.808622 + 97.9678@0.8080347 0.8080347 (196.94197, 599.94336)(98.975105, 4328.876) 53 97.9678 97.9678@0.8080347 + 419.8761@0.8466238 0.8466238 (420.88354, 1631.845) 2 419.8761 419.8761@0.8466238 + 225.944@0.84569436 0.84569436 (226.9513, 21271.701)(227.95447, 660.62164) 8 225.944 225.944@0.84569436 + 171.9718@0.8456251 0.8456251 (172.97917, 1297.3767) 6 171.9718 171.9718@0.8456251 + 241.918@0.8656138 0.8656138 (242.9251, 1488.597) 7 241.918 241.918@0.8656138 + 351.8907@0.8522855 0.8522855 (352.89816, 1824.275) 4 351.8907 351.8907@0.8522855 + 89.9696@0.8521633 0.8521633 (90.976944, 35076.1)(91.980095, 436.80002) 10 89.9696 89.9696@0.8521633 + 326.0434@0.8495736 0.8495736 (327.05075, 3386.9783) 6 326.0434 326.0434@0.8495736 + 191.0711@0.85376996 0.85376996 (192.07915, 1449.16) 3 191.0711 191.0711@0.85376996 + 389.7912@0.86669534 0.86669534 (390.79803, 1224.4569) 36 389.7912 389.7912@0.86669534 + 205.8864@0.86672246 0.86672246 (206.89362, 5349.8066) 58 205.8864 205.8864@0.86672246 + 449.7465@0.8668755 0.8668755 (450.75366, 1300.1652) 41 449.7465 449.7465@0.8668755 + 89.9696@0.8811287 0.8811287 (90.97695, 22531.154) 4 89.9696 89.9696@0.8811287 + 351.8898@0.88173413 0.88173413 (352.8971, 1125.75) 6 351.8898 351.8898@0.88173413 + 218.0756@0.88114125 0.88114125 (219.08275, 12353.79)(220.08765, 1100.63) 2 218.0756 218.0756@0.88114125 + 270.0698@0.88363075 0.88363075 (271.0774, 2109.3052) 2 270.0698 270.0698@0.88363075 + 184.952@0.8856578 0.8856578 (185.95955, 1751.4414) 14 184.952 184.952@0.8856578 + 213.0489@0.88986564 0.88986564 (214.05647, 1607.1023) 13 213.0489 213.0489@0.88986564 + 284.0857@0.89215523 0.89215523 (285.093, 1881.7) 1 284.0857 284.0857@0.89215523 + 315.9762@0.8931555 0.8931555 (316.9835, 1105.25) 1 315.9762 315.9762@0.8931555 + 426.0806@0.89213985 0.89213985 (427.08752, 5343.3633)(428.08923, 794.28503) 3 426.0806 426.0806@0.89213985 + 337.0382@0.8969407 0.8969407 (338.0431, 2024.5416) 6 337.0382 337.0382@0.8969407 + 226.1062@0.89963454 0.89963454 (227.11389, 2285.855)(249.0951, 1838.52) 2 226.1062 226.1062@0.89963454 + 183.0658@0.8991389 0.8991389 (184.07256, 1301.1533)(206.0556, 1348.62) 3 183.0658 183.0658@0.8991389 + 248.088@0.9011577 0.9011577 (249.0952, 1697.28) 1 248.088 248.088@0.9011577 + 281.0882@0.9008772 0.9008772 (282.09644, 1693.585) 4 281.0882 281.0882@0.9008772 + 279.0849@0.9174859 0.9174859 (280.0923, 84016.59)(281.09485, 5823.231)(282.09686, 962.7417) 18 279.0849 279.0849@0.9174859 + C6 H10 Cl N S 0.9018643 [ C6 H10 Cl N S, mfg=47.57, overall=47.57 ] (164.02943, 2573.1775) 44 163.0219 C6 H10 Cl N S + 327.0596@0.9062637 0.9062637 (328.06662, 1950.8298)(350.04855, 1642.87) 5 327.0596 327.0596@0.9062637 + 245.1731@0.9064107 0.9064107 (246.1806, 2111.4631) 3 245.1731 245.1731@0.9064107 + 141.0401@0.90534604 0.90534604 (142.04709, 1718.3724)(124.0363, 466.29)(164.0296, 2328.8577) 8 141.0401 141.0401@0.90534604 + 385.1349@0.91814095 0.91814095 (386.14185, 3392.0635) 3 385.1349 385.1349@0.91814095 + 179.0792@0.916858 0.916858 (180.08643, 20414.236)(162.0759, 784.98) 3 179.0792 179.0792@0.916858 + 224.0269@0.9181083 0.9181083 (225.03416, 6352.138)(226.03784, 482.96338) 25 224.0269 224.0269@0.9181083 + 260.0036@0.9190829 0.9190829 (261.01077, 6363.6284)(262.0143, 456.73172)(263.00842, 2040.4858) 53 260.0036 260.0036@0.9190829 + 317.9619@0.92123747 0.92123747 (318.9692, 1372.8499) 27 317.9619 317.9619@0.92123747 + 272.0488@0.925264 0.925264 (273.056, 1277.7878) 5 272.0488 272.0488@0.925264 + 241.0971@0.925354 0.925354 (242.10442, 938.4657)(224.09451, 1306.8398) 7 241.0971 241.0971@0.925354 + 104.1029@0.9332088 0.9332088 (105.110245, 20305.379)(106.112, 1145.21) 20 104.1029 104.1029@0.9332088 + 146.1092@0.93575114 0.93575114 (147.11642, 3276.8606) 14 146.1092 146.1092@0.93575114 + 234.1573@0.9355387 0.9355387 (235.16467, 6690.266)(236.16794, 989.7025) 6 234.1573 234.1573@0.9355387 + 59.074@0.9373898 0.9373898 (60.08125, 8203.885) 4 59.074 59.074@0.9373898 + 95.0709@0.94696975 0.94696975 (96.07828, 2271.1257) 29 95.0709 95.0709@0.94696975 + 140.0638@0.94671243 0.94671243 (141.07106, 2503.7012) 11 140.0638 140.0638@0.94671243 + 162.1083@0.97798395 0.97798395 (163.11562, 33682.992)(164.1158, 1765.61)(145.1044, 2011.0801) 27 162.1083 162.1083@0.97798395 + 300.1659@0.96524715 0.96524715 (301.17294, 2951.9917)(302.17654, 582.7975) 13 300.1659 300.1659@0.96524715 + 89.9694@0.9690667 0.9690667 (90.97671, 4010.4175) 56 89.9694 89.9694@0.9690667 + 314.1559@0.9800898 0.9800898 (315.16333, 4799.35)(316.16574, 656.37006) 5 314.1559 314.1559@0.9800898 + 445.226@0.98117995 0.98117995 (446.2333, 1849.63) 1 445.226 445.226@0.98117995 + 114.0418@0.9851811 0.9851811 (115.0491, 1813.93) 1 114.0418 114.0418@0.9851811 + 415.1896@0.9886565 0.9886565 (416.19684, 8946.27)(417.1992, 1341.325)(438.1783, 1955.47) 2 415.1896 415.1896@0.9886565 + 437.1722@0.98918223 0.98918223 (438.1795, 1994.95) 1 437.1722 437.1722@0.98918223 + 546.2582@0.98918223 0.98918223 (547.2654, 1292.59) 1 546.2582 546.2582@0.98918223 + 284.1202@0.9891668 0.9891668 (285.1278, 16287.801)(286.13, 960.62) 4 284.1202 284.1202@0.9891668 + 285.1236@0.98918223 0.98918223 (286.1309, 2921.37) 1 285.1236 285.1236@0.98918223 + 133.0741@0.98918223 0.98918223 (134.0814, 1484.41) 1 133.0741 133.0741@0.98918223 + 129.0419@0.9922504 0.9922504 (130.04974, 1008.1)(112.0371, 1027.78)(147.076, 664.66) 2 129.0419 129.0419@0.9922504 + 306.1021@0.9901293 0.9901293 (307.10974, 2139.8567) 3 306.1021 306.1021@0.9901293 + 262.1388@0.9911285 0.9911285 (263.14612, 7110.61) 2 262.1388 262.1388@0.9911285 + 248.0995@1.0111203 1.0111203 (249.10654, 3905.8325) 4 248.0995 248.0995@1.0111203 + 86.0372@1.0415963 1.0415963 (87.04469, 1400.5454) 15 86.0372 86.0372@1.0415963 + 144.0974@1.0623266 1.0623266 (145.10442, 2356.0002) 7 144.0974 144.0974@1.0623266 + Val Gly 1.0840595 Val Gly [ C7 H14 N2 O3, mfg=46.78, db=30.65, overall=38.72, METLIN ID=23824 ] (175.10895, 2028.4734)(176.11914, 435.305)(197.08925, 1066.7664) 52 174.1013 Val Gly + 214.0086@1.0885842 1.0885842 (215.01572, 1592.0549) 4 214.0086 214.0086@1.0885842 + 139.9959@1.1748784 1.1748784 (141.00345, 2065.1252) 20 139.9959 139.9959@1.1748784 + 73.0895@1.1857744 1.1857744 (74.09673, 11798.35)(75.099785, 681.1006) 43 73.0895 73.0895@1.1857744 + 139.0238@1.2582736 1.2582736 (140.03116, 2136.7852) 2 139.0238 139.0238@1.2582736 + 117.0422@1.2602453 1.2602453 (118.04952, 3095.69)(100.0389, 604.95)(140.03125, 2282.39) 4 117.0422 117.0422@1.2602453 + 114.0424@1.2893773 1.2893773 (115.04979, 2073.4792) 14 114.0424 114.0424@1.2893773 + 347.0618@1.2684346 1.2684346 (348.06955, 6160.1655)(349.07385, 843.64496) 11 347.0618 347.0618@1.2684346 + 144.0416@1.2691318 1.2691318 (145.04875, 1143.4883)(127.0397, 377.82) 6 144.0416 144.0416@1.2691318 + 118.1181@1.2704906 1.2704906 (119.12537, 7029.2104)(101.11446, 390.4833) 13 118.1181 118.1181@1.2704906 + 73.0168@1.2793009 1.2793009 (74.023964, 1577.9425) 12 73.0168 73.0168@1.2793009 + 192.0897@1.2842523 1.2842523 (193.09677, 1357.1279) 5 192.0897 192.0897@1.2842523 + 140.0581@1.2880919 1.2880919 (141.06543, 2205.446)(123.05485, 1615.3146) 10 140.0581 140.0581@1.2880919 + 175.1201@1.3260746 1.3260746 (176.12764, 1422.6226) 8 175.1201 175.1201@1.3260746 + 406.2309@1.3302833 1.3302833 (407.2382, 4713.24) 1 406.2309 406.2309@1.3302833 + 152.0337@1.3296987 1.3296987 (153.04095, 1840.865) 2 152.0337 152.0337@1.3296987 + 149.0504@1.5124066 1.5124066 (150.05705, 1528.9915) 13 149.0504 149.0504@1.5124066 + 106.0629@1.5638071 1.5638071 (107.06978, 4485.0127)(108.0717, 409.66254)(89.06011, 4508.2476)(90.06035, 533.03253)(124.0958, 798.205)(129.05197, 1789.2528)(130.0497, 69.34) 21 106.0629 106.0629@1.5638071 + 247.1412@1.6708215 1.6708215 (248.1487, 2309.2732)(249.15198, 694.77997) 13 247.1412 247.1412@1.6708215 + 85.0892@1.9323906 1.9323906 (86.096504, 17012.936)(87.09944, 884.7981) 37 85.0892 85.0892@1.9323906 + L-Isoleucine 1.932036 C00407 L-Isoleucine [ C6 H13 N O2, mfg=84.93, db=84.92, overall=84.92, CAS ID=73-32-5, Lipid ID=LMFA01100047, KEGG ID=C00407, HMP ID=HMDB00172, METLIN ID=23 ] 73-32-5 (132.10146, 9751.446)(133.10364, 748.07965)(154.08344, 604.638) 64 131.0941 L-Isoleucine HMDB00172 + LMFA01100047 247.1412@2.011227 2.011227 (248.14847, 2099.5156)(249.1516, 453.92453) 38 247.1412 247.1412@2.011227 + 123.0503@2.0788677 2.0788677 (124.05752, 1353.1826) 19 123.0503 123.0503@2.0788677 + 85.0894@2.1550605 2.1550605 (86.096634, 37373.715)(87.09959, 1980.1396) 27 85.0894 85.0894@2.1550605 + 132.097@2.1944432 2.1944432 (133.10437, 1688.818) 10 132.097 132.097@2.1944432 + 86.0369@2.1763618 2.1763618 (87.044205, 1677.2446) 13 86.0369 86.0369@2.1763618 + Tubastatin A 3.1900206 Tubastatin A [ C20 H21 N3 O2, mfg=46.03, db=82.94, overall=64.49, METLIN ID=64761 ] (353.19647, 3879.9194)(354.1993, 942.1473) 30 352.1892 Tubastatin A + 262.1607@3.2035258 3.2035258 (263.168, 1309.0) 1 262.1607 262.1607@3.2035258 + 342.1977@3.3674443 3.3674443 (343.20413, 1221.3833) 6 342.1977 342.1977@3.3674443 + 289.1515@3.4875793 3.4875793 (290.1591, 2894.2964)(291.16226, 572.7143) 21 289.1515 289.1515@3.4875793 + 297.142@3.4899223 3.4899223 (298.149, 1998.774)(299.1519, 470.19) 5 297.142 297.142@3.4899223 + N-Methyl-2-pyrrolidinone 3.538678 C11118 N-Methyl-2-pyrrolidinone [ C5 H9 N O, mfg=87.03, db=87.02, overall=87.03, CAS ID=872-50-4, KEGG ID=C11118, METLIN ID=68859 ] 872-50-4 (100.07554, 12915.047)(101.07823, 926.2727) 55 99.0682 N-Methyl-2-pyrrolidinone + 159.089@3.5428166 3.5428166 (160.09602, 2657.7139)(161.1002, 467.46503)(142.08669, 507.36002)(182.0782, 911.02) 26 159.089 159.089@3.5428166 + 263.1182@3.8651 3.8651 (264.12564, 1502.98) 4 263.1182 263.1182@3.8651 + 408.1794@3.907308 3.907308 (409.1865, 29716.162)(410.18927, 6264.733)(411.1917, 1188.9637)(431.16763, 855.66626) 11 408.1794 408.1794@3.907308 + 104.0265@3.9586117 3.9586117 (105.033966, 1562.4532) 3 104.0265 104.0265@3.9586117 + 229.0399@3.9589186 3.9589186 (230.04724, 3044.1475)(231.0504, 431.23) 4 229.0399 229.0399@3.9589186 + 150.0889@4.01403 4.01403 (151.0956, 405.54626)(133.08533, 1543.7576) 16 150.0889 150.0889@4.01403 + C6 H14 O3 4.1958175 [ C6 H14 O3, mfg=71.68, overall=71.68 ] (135.10095, 3141.6575)(136.1042, 442.16)(117.09039, 467.075) 63 134.0937 C6 H14 O3 + Pantoic acid 4.2516723 C00522 Pantoic acid [ C6 H12 O4, mfg=46.12, db=45.00, overall=45.56, CAS ID=1112-33-0, KEGG ID=C00522, METLIN ID=309 ] 1112-33-0 (314.18027, 1338.6917) 66 313.1729 Pantoic acid + 113.0836@4.4204717 4.4204717 (114.09091, 7388.8213)(115.09363, 581.35626) 25 113.0836 113.0836@4.4204717 + 315.0949@4.5964746 4.5964746 (316.10196, 4716.365)(317.10492, 759.7) 2 315.0949 315.0949@4.5964746 + 194.0394@4.6284685 4.6284685 (195.04697, 865.20996)(212.07333, 2284.506) 5 194.0394 194.0394@4.6284685 + 90.0468@4.6338663 4.6338663 (91.05416, 7698.181)(92.05737, 564.2475) 5 90.0468 90.0468@4.6338663 + 317.1834@4.6351366 4.6351366 (318.19046, 2090.4438)(319.1937, 556.8033) 10 317.1834 317.1834@4.6351366 + 301.1158@4.636439 4.636439 (302.12305, 12081.864)(303.1262, 1687.8168) 6 301.1158 301.1158@4.636439 + 266.0788@4.6371245 4.6371245 (267.08588, 2465.9348)(249.07596, 910.17993) 4 266.0788 266.0788@4.6371245 + 306.0708@4.6406026 4.6406026 (307.07825, 4924.2964)(308.08157, 701.13995) 6 306.0708 306.0708@4.6406026 + 133.0524@4.6642547 4.6642547 (134.05952, 1412.264) 5 133.0524 133.0524@4.6642547 + 76.0311@4.6646547 4.6646547 (77.038704, 1628.25) 5 76.0311 76.0311@4.6646547 + 104.0265@4.663762 4.663762 (105.034195, 181697.73)(106.03739, 24611.521)(107.03994, 1304.4218) 14 104.0265 104.0265@4.663762 + 179.0582@4.663217 4.663217 (359.12308, 1597.3033)(381.10544, 29931.447)(382.10828, 5258.7085)(383.10876, 833.56836)(180.06538, 77254.28)(181.0684, 9468.532)(182.07039, 882.175)(202.04727, 44220.008)(203.05034, 4950.895)(204.05222, 518.078) 9 179.0582 179.0582@4.663217 + 50.0161@4.664749 4.664749 (51.023438, 4746.0073) 6 50.0161 50.0161@4.664749 + 161.0476@4.6642494 4.6642494 (162.05458, 2700.1702)(163.0591, 364.9) 6 161.0476 161.0476@4.6642494 + 49.0083@4.665061 4.665061 (50.01545, 1092.03) 2 49.0083 49.0083@4.665061 + 575.1209@4.665447 4.665447 (576.12756, 2263.7651)(577.1298, 680.64246) 4 575.1209 575.1209@4.665447 + 591.0942@4.665654 4.665654 (592.1012, 2883.516)(593.10364, 872.92804) 5 591.0942 591.0942@4.665654 + 412.035@4.665947 4.665947 (413.04242, 1244.4199)(435.02505, 398.52002) 4 412.035 412.035@4.665947 + 175.0298@4.7157536 4.7157536 (176.03708, 2327.155) 18 175.0298 175.0298@4.7157536 + 133.0192@4.7158084 4.7158084 (134.02654, 2113.016) 16 133.0192 133.0192@4.7158084 + 287.1355@4.7752833 4.7752833 (288.1428, 1525.38) 1 287.1355 287.1355@4.7752833 + 292.0915@4.7763243 4.7763243 (293.09885, 2632.8904)(294.1034, 410.32004) 6 292.0915 292.0915@4.7763243 + 265.131@4.7955713 4.7955713 (266.13806, 7462.0615)(267.14133, 1402.4166) 8 265.131 265.131@4.7955713 + 129.1514@4.8491187 4.8491187 (130.15865, 26238.584)(131.1615, 2252.23) 4 129.1514 129.1514@4.8491187 + 266.1721@4.9704704 4.9704704 (267.17963, 1193.9294)(284.20535, 904.6896) 21 266.1721 266.1721@4.9704704 + 546.5721@5.0376024 5.0376024 (547.5797, 4805.765)(548.5825, 817.61487) 31 546.5721 546.5721@5.0376024 + 397.1301@5.0648828 5.0648828 (398.13736, 3295.2686)(399.1399, 673.4033) 6 397.1301 397.1301@5.0648828 + 169.11@5.1529346 5.1529346 (170.11705, 1778.1854)(171.1153, 452.22) 27 169.11 169.11@5.1529346 + 411.2015@5.312094 5.312094 (412.20877, 1461.5399) 4 411.2015 411.2015@5.312094 + L-Glutamic acid dibutyl ester 5.744078 L-Glutamic acid dibutyl ester [ C13 H25 N O4, mfg=85.20, db=85.17, overall=85.19, CAS ID=4261-76-1, METLIN ID=3545 ] 4261-76-1 (260.18512, 7857.505)(261.18817, 1242.9763) 49 259.1778 L-Glutamic acid dibutyl ester + 242.0938@5.994655 5.994655 (243.10098, 2631.2793)(244.10455, 561.1389) 17 242.0938 242.0938@5.994655 + 215.9851@6.321499 6.321499 (216.9928, 1613.2975) 4 215.9851 215.9851@6.321499 + 323.0468@6.321748 6.321748 (324.0536, 1341.3776) 4 323.0468 323.0468@6.321748 + 216.9824@6.3179 6.3179 (217.98967, 3386.7168)(218.9931, 408.48) 3 216.9824 216.9824@6.3179 + 253.0766@6.4402823 6.4402823 (254.08397, 4960.7183)(255.08728, 700.3233)(276.06613, 776.87335) 6 253.0766 253.0766@6.4402823 + 569.3323@6.658697 6.658697 (570.33923, 4133.2817)(571.3425, 1157.3566)(572.3435, 439.25) 6 569.3323 569.3323@6.658697 + 148.052@6.799035 6.799035 (149.05934, 1568.4749) 27 148.052 148.052@6.799035 + 170.1416@6.8422894 6.8422894 (171.14867, 8099.3105)(172.1517, 1599.787) 32 170.1416 170.1416@6.8422894 + 1092.5205@7.592786 7.592786 (1093.5278, 1236.01) 1 1092.5205 1092.5205@7.592786 + 1090.2694@7.79643 7.79643 (1091.2781, 1685.14)(1092.2661, 442.03)(1093.273, 757.44) 5 1090.2694 1090.2694@7.79643 + 872.2152@7.790124 7.790124 (873.2217, 1185.01) 2 872.2152 872.2152@7.790124 + 1090.145@7.7921195 7.7921195 (1091.1522, 1257.9135)(1092.1483, 645.75)(1093.151, 476.80664) 3 1090.145 1090.145@7.7921195 + 969.4579@7.789708 7.789708 (970.4669, 1469.7949) 2 969.4579 969.4579@7.789708 + 969.5703@7.793864 7.793864 (970.5768, 1235.7151) 2 969.5703 969.5703@7.793864 + 1090.6439@7.7954416 7.7954416 (1091.6501, 1859.4244) 7 1090.6439 1090.6439@7.7954416 + 1090.8907@7.7961054 7.7961054 (1091.8993, 1488.8525) 4 1090.8907 1090.8907@7.7961054 + 1090.5193@7.7954826 7.7954826 (1091.5255, 2282.0798) 6 1090.5193 1090.5193@7.7954826 + 969.3498@7.7961493 7.7961493 (970.35657, 1608.3225) 4 969.3498 969.3498@7.7961493 + 1090.3932@7.79644 7.79644 (1091.4005, 1901.3685) 7 1090.3932 1090.3932@7.79644 + 1090.7676@7.796854 7.796854 (1091.7751, 1989.385) 4 1090.7676 1090.7676@7.796854 + 872.414@7.7977633 7.7977633 (873.42145, 1630.1699) 3 872.414 872.414@7.7977633 + 872.3145@7.7964306 7.7964306 (873.3218, 1445.9332) 3 872.3145 872.3145@7.7964306 + 872.5128@7.7896314 7.7896314 (873.5201, 1370.19) 1 872.5128 872.5128@7.7896314 + 969.2395@7.7976007 7.7976007 (970.2472, 1763.8949) 4 969.2395 969.2395@7.7976007 + 872.614@7.7968454 7.7968454 (873.62024, 1085.345) 2 872.614 872.614@7.7968454 + 1090.5211@7.9991927 7.9991927 (1091.5283, 1834.5505) 19 1090.5211 1090.5211@7.9991927 + 1090.6447@8.003955 8.003955 (1091.6533, 2132.8667) 19 1090.6447 1090.6447@8.003955 + 1090.8955@8.002036 8.002036 (1091.9028, 1650.0424) 20 1090.8955 1090.8955@8.002036 + 1090.3934@7.9297624 7.9297624 (1091.4006, 1659.68) 1 1090.3934 1090.3934@7.9297624 + 871.0122@8.096587 8.096587 (872.0202, 2899.974) 40 871.0122 871.0122@8.096587 + 870.7153@8.0998335 8.0998335 (871.7225, 3348.1953) 50 870.7153 870.7153@8.0998335 + 551.3218@8.115401 8.115401 (552.32855, 2270.057)(553.33215, 778.20605)(574.31146, 612.2166) 6 551.3218 551.3218@8.115401 + 870.616@8.0984 8.0984 (871.62335, 2707.5134) 47 870.616 870.616@8.0984 + 567.3162@8.381302 8.381302 (568.3235, 1425.875)(569.3264, 543.88)(550.3134, 423.33) 2 567.3162 567.3162@8.381302 + 511.3267@8.408487 8.408487 (512.334, 1612.69)(513.3394, 447.91) 1 511.3267 511.3267@8.408487 + 567.3159@8.465895 8.465895 (568.32294, 1638.42)(569.32556, 516.04) 2 567.3159 567.3159@8.465895 + 511.3265@8.536167 8.536167 (512.33374, 3134.1013)(513.33704, 846.2169) 16 511.3265 511.3265@8.536167 + 511.3266@8.591742 8.591742 (512.33386, 6307.0884)(513.33673, 1606.862)(514.33954, 653.107)(534.31476, 635.45996) 40 511.3266 511.3266@8.591742 + 549.305@8.601972 8.601972 (550.31256, 1984.8274)(551.31616, 615.3) 4 549.305 549.305@8.601972 + 511.3262@8.653882 8.653882 (512.33374, 3295.8806)(513.33704, 953.53564) 22 511.3262 511.3262@8.653882 + 315.2403@8.660224 8.660224 (316.24768, 2730.8484)(317.25073, 586.86285) 19 315.2403 315.2403@8.660224 + 535.3264@8.682443 8.682443 (536.3329, 1695.985)(537.3373, 586.16) 2 535.3264 535.3264@8.682443 + 549.3063@8.75082 8.75082 (550.31287, 3201.5725)(551.3165, 972.4275) 4 549.3063 549.3063@8.75082 + 254.1515@8.953147 8.953147 (255.1588, 1081.63) 1 254.1515 254.1515@8.953147 + 535.3261@8.980826 8.980826 (536.33356, 1948.8079)(537.33685, 613.27423)(518.3256, 464.41) 14 535.3261 535.3261@8.980826 + 551.3214@9.025518 9.025518 (552.3287, 1938.96)(553.3305, 527.1) 1 551.3214 551.3214@9.025518 + 535.3251@9.136197 9.136197 (536.3326, 2334.8066)(537.3366, 765.22253) 6 535.3251 535.3251@9.136197 + 551.3216@9.183256 9.183256 (552.3289, 5925.9062)(553.332, 1602.0166)(554.3348, 849.82) 6 551.3216 551.3216@9.183256 + 551.3216@9.295163 9.295163 (552.32886, 8080.496)(553.33167, 2132.0718)(554.33496, 913.665)(574.3098, 504.49) 6 551.3216 551.3216@9.295163 + 575.3213@9.313889 9.313889 (576.3286, 1525.25)(577.3316, 434.57) 1 575.3213 575.3213@9.313889 + 551.3213@9.350539 9.350539 (552.3286, 2477.65)(553.3337, 845.91) 1 551.3213 551.3213@9.350539 + 148.0158@9.477918 9.477918 (149.0229, 1269.0096) 22 148.0158 148.0158@9.477918 + 551.3214@9.496534 9.496534 (552.3286, 5108.4)(553.3314, 1447.7125)(554.3381, 907.37)(574.3101, 411.22) 4 551.3214 551.3214@9.496534 + 468.2478@9.5060215 9.5060215 (469.2551, 1291.89)(470.2597, 427.65) 1 468.2478 468.2478@9.5060215 + 539.3577@9.515752 9.515752 (540.3651, 2252.5952)(541.3677, 653.68695) 10 539.3577 539.3577@9.515752 + 553.3365@9.576315 9.576315 (554.3437, 1314.81) 1 553.3365 553.3365@9.576315 + 535.3262@9.639593 9.639593 (536.33356, 1636.7399)(537.3372, 511.86002) 3 535.3262 535.3262@9.639593 + 553.3369@9.711915 9.711915 (554.3442, 2231.16)(555.3465, 720.51) 1 553.3369 553.3369@9.711915 + 535.3263@9.804703 9.804703 (536.3334, 2021.17)(537.33673, 565.97754) 4 535.3263 535.3263@9.804703 + 367.2717@9.80059 9.80059 (368.27887, 1907.0071)(369.28192, 577.6) 7 367.2717 367.2717@9.80059 + 537.3426@10.316082 10.316082 (538.3498, 1751.73)(539.3529, 514.39)(560.3322, 641.49) 1 537.3426 537.3426@10.316082 + Avizafone 10.521523 C11725 Avizafone [ C22 H27 Cl N4 O3, mfg=47.52, db=70.46, overall=58.99, CAS ID=65617-86-9, KEGG ID=C11725, METLIN ID=69179 ] 65617-86-9 (453.1666, 2251.5042)(454.16983, 631.80676)(455.16772, 399.67126) 61 452.1593 Avizafone + 1065.6407@10.87619 10.87619 (1066.6462, 1887.4563)(1067.64, 691.15375) 8 1065.6407 1065.6407@10.87619 + 1087.6646@10.897075 10.897075 (1088.6719, 2060.4644)(1089.6732, 753.16)(1090.6445, 719.6) 9 1087.6646 1087.6646@10.897075 + 1084.6442@10.908614 10.908614 (1085.6511, 1502.1814)(1086.6545, 938.47815)(1087.664, 936.54865)(1088.6685, 458.575) 30 1084.6442 1084.6442@10.908614 + 1086.6627@10.994529 10.994529 (1087.6691, 3935.542)(1088.6725, 2384.1702)(1089.6752, 860.29736)(1090.6797, 243.23001)(1109.6505, 1011.1743)(1110.6544, 764.36194)(1111.6647, 948.50604)(1112.6711, 817.82996)(1113.6743, 425.28) 21 1086.6627 1086.6627@10.994529 + 1065.1224@11.115283 11.115283 (1066.1299, 1512.6068)(1067.1324, 1489.126)(1068.1342, 406.194) 60 1065.1224 1065.1224@11.115283 + 543.332@11.163742 11.163742 (1087.6713, 56495.89)(1088.6741, 32017.4)(1089.6765, 9038.36)(1090.6725, 2443.55)(1091.6686, 428.76)(544.3394, 164486.53)(545.3431, 90160.3)(546.34503, 18409.924)(547.342, 2172.0632)(548.3494, 598.09)(566.32074, 1488.5376)(567.3237, 486.29498) 8 543.332 543.332@11.163742 + 723.4279@11.163733 11.163733 (724.4352, 1784.75)(725.4394, 703.69) 1 723.4279 723.4279@11.163733 + 557.2875@11.152845 11.152845 (558.2947, 1112.6356)(559.29834, 401.68576) 49 557.2875 557.2875@11.152845 + 779.4495@11.164719 11.164719 (780.4568, 1262.91)(781.4609, 579.57) 1 779.4495 779.4495@11.164719 + 220.1459@11.273861 11.273861 (221.15306, 1467.685)(222.1556, 449.43)(238.17949, 674.34) 6 220.1459 220.1459@11.273861 + 595.3297@11.25439 11.25439 (596.337, 1289.06)(597.3404, 488.3) 1 595.3297 595.3297@11.25439 + 649.359@11.278755 11.278755 (650.36633, 1576.47)(651.3694, 638.43)(652.3782, 392.18) 2 649.359 649.359@11.278755 + 725.4102@11.282213 11.282213 (726.4173, 1491.15)(727.4203, 620.205)(708.40674, 1905.235)(709.41064, 575.12)(710.4198, 612.0) 2 725.4102 725.4102@11.282213 + 591.3354@11.265228 11.265228 (592.3427, 2314.39)(593.3477, 829.72) 1 591.3354 591.3354@11.265228 + 739.4253@11.297561 11.297561 (740.43274, 2692.81)(741.4354, 1126.45)(742.4302, 459.08002) 2 739.4253 739.4253@11.297561 + 553.3847@11.363326 11.363326 (554.3918, 1190.5056)(555.39417, 389.4) 26 553.3847 553.3847@11.363326 + 719.4003@11.387373 11.387373 (720.4076, 1368.27)(721.4107, 510.19)(722.4211, 3240.41)(723.4241, 1282.75)(724.411, 2447.08) 1 719.4003 719.4003@11.387373 + 653.3884@11.414665 11.414665 (654.39575, 1862.485)(655.3993, 665.58997)(656.3934, 403.84)(676.3805, 458.86) 2 653.3884 653.3884@11.414665 + 603.3549@11.397222 11.397222 (604.3622, 1158.06)(605.3615, 382.74) 1 603.3549 603.3549@11.397222 + 779.4242@11.411994 11.411994 (780.4315, 2736.24)(781.4367, 1289.51)(782.4408, 895.55) 1 779.4242 779.4242@11.411994 + 805.4714@11.413963 11.413963 (806.477, 1251.03)(807.4791, 665.89)(808.4703, 444.76)(828.4644, 731.45)(829.4676, 348.62) 1 805.4714 805.4714@11.413963 + 667.4007@11.436136 11.436136 (668.4072, 1926.43)(669.411, 695.80005)(670.3943, 709.555) 2 667.4007 667.4007@11.436136 + 725.4111@11.421841 11.421841 (726.4184, 2542.94)(727.4221, 936.58) 1 725.4111 725.4111@11.421841 + 625.3575@11.42775 11.42775 (626.3631, 556.17)(608.3545, 3451.85)(609.3587, 1066.71)(610.369, 1653.03) 1 625.3575 625.3575@11.42775 + 663.3761@11.441536 11.441536 (664.3833, 1448.83)(665.385, 575.51) 1 663.3761 663.3761@11.441536 + 739.4244@11.463198 11.463198 (740.4316, 4105.46)(741.435, 1684.86) 1 739.4244 739.4244@11.463198 + 707.4007@11.473043 11.473043 (708.4088, 1592.21)(709.411, 359.48)(690.3958, 1882.15)(691.4027, 832.37)(692.41, 1074.87) 1 707.4007 707.4007@11.473043 + 725.4118@11.50148 11.50148 (726.4187, 1586.4199)(727.4227, 595.615)(728.4164, 539.77) 2 725.4118 725.4118@11.50148 + 751.4257@11.495508 11.495508 (752.43274, 2515.88)(753.4364, 1069.41)(754.4336, 509.70502) 2 751.4257 751.4257@11.495508 + 677.3897@11.481905 11.481905 (678.3977, 1545.07)(679.4021, 641.77)(680.409, 885.73)(660.3849, 1293.96)(661.3892, 467.22) 1 677.3897 677.3897@11.481905 + 603.3555@11.483874 11.483874 (604.3628, 1455.42)(605.369, 400.56)(606.3714, 342.92) 1 603.3555 603.3555@11.483874 + 737.4109@11.500923 11.500923 (738.4185, 3455.505)(739.4212, 1466.48)(740.4311, 1587.17)(741.4355, 441.02) 2 737.4109 737.4109@11.500923 + 565.3363@11.489781 11.489781 (566.3436, 1084.22)(567.3473, 354.35) 1 565.3363 565.3363@11.489781 + 477.3213@11.566872 11.566872 (478.32874, 1344.9772)(479.33286, 531.45996)(480.3106, 623.32) 19 477.3213 477.3213@11.566872 + 1012.6453@11.606436 11.606436 (1013.65247, 8394.764)(1014.6552, 4265.8486)(1015.65985, 1558.6582)(1016.663, 418.12585) 37 1012.6453 1012.6453@11.606436 + 617.368@11.641932 11.641932 (618.3749, 2640.045)(619.3772, 951.78503)(620.3868, 473.96) 2 617.368 617.368@11.641932 + 727.4054@11.627586 11.627586 (728.4127, 1061.53)(729.4137, 452.9) 1 727.4054 727.4054@11.627586 + 629.3679@11.633491 11.633491 (630.3752, 1673.9)(631.3796, 642.76)(632.3882, 688.2) 1 629.3679 629.3679@11.633491 + 633.3637@11.660235 11.660235 (634.3707, 2419.9448)(635.37463, 933.56006) 2 633.3637 633.3637@11.660235 + 651.3751@11.680598 11.680598 (652.38196, 4640.8354)(653.3855, 1744.6675)(654.3922, 1445.17)(634.3705, 533.47) 4 651.3751 651.3751@11.680598 + 671.3789@11.663011 11.663011 (672.3862, 1031.08)(673.3905, 396.48)(674.3808, 580.29) 1 671.3789 671.3789@11.663011 + 565.3383@11.663995 11.663995 (566.3456, 1556.56)(567.3483, 532.08) 1 565.3383 565.3383@11.663995 + 621.3637@11.688927 11.688927 (622.37085, 2286.83)(623.3734, 688.855)(624.38574, 2908.435)(625.3888, 958.11) 2 621.3637 621.3637@11.688927 + 819.453@11.673835 11.673835 (820.4603, 1606.7)(821.4629, 960.04)(822.4775, 562.83) 1 819.453 819.453@11.673835 + 567.3524@11.715423 11.715423 (568.3595, 3830.8975)(569.36255, 1174.1476) 4 567.3524 567.3524@11.715423 + 691.4053@11.722153 11.722153 (692.412, 6075.332)(693.4155, 2146.6975)(694.4232, 1081.6)(714.3973, 506.38) 4 691.4053 691.4053@11.722153 + 765.4404@11.681706 11.681706 (766.4477, 1189.77)(767.4508, 648.26)(768.4486, 127.57) 1 765.4404 765.4404@11.681706 + 741.4215@11.701784 11.701784 (742.4281, 1602.34)(743.4313, 677.03)(744.4307, 225.92) 2 741.4215 741.4215@11.701784 + 665.3898@11.728615 11.728615 (666.39685, 3912.0798)(667.3999, 1458.3425)(668.4011, 1002.96) 4 665.3898 665.3898@11.728615 + 645.3986@11.7004 11.7004 (646.4059, 1735.26)(647.4084, 618.44) 1 645.3986 645.3986@11.7004 + 1130.7086@11.705319 11.705319 (1131.716, 1357.64)(1132.7189, 822.9) 1 1130.7086 1130.7086@11.705319 + 1156.7244@11.767551 11.767551 (1157.7322, 4555.7)(1158.7361, 2866.52)(1159.74, 1148.0701)(1160.742, 194.92) 2 1156.7244 1156.7244@11.767551 + 1170.7394@11.7702465 11.7702465 (1171.7467, 2741.21)(1172.7512, 1692.49)(1173.7535, 807.31) 1 1170.7394 1170.7394@11.7702465 + 695.4031@11.794243 11.794243 (696.41174, 1189.6799)(697.4147, 498.23502) 2 695.4031 695.4031@11.794243 + 629.3697@11.776149 11.776149 (630.3769, 1501.67)(631.3805, 633.76) 1 629.3697 629.3697@11.776149 + 639.3742@11.799197 11.799197 (640.3816, 2723.385)(641.38446, 885.38) 2 639.3742 639.3742@11.799197 + 583.3484@11.876748 11.876748 (584.355, 11702.101)(585.3585, 3081.7925)(586.3604, 1041.79)(606.3393, 649.89) 4 583.3484 583.3484@11.876748 + 721.4496@11.887431 11.887431 (722.4556, 4110.4897)(723.4589, 1611.355)(724.4558, 840.2225) 4 721.4496 721.4496@11.887431 + 653.3883@11.852861 11.852861 (654.3956, 3911.25)(655.4006, 1149.44)(656.4072, 699.5) 1 653.3883 653.3883@11.852861 + 643.3837@11.8783 11.8783 (644.3915, 2848.355)(645.3944, 994.31506)(646.3978, 572.865) 2 643.3837 643.3837@11.8783 + 607.383@11.890498 11.890498 (608.3899, 2448.7668)(609.3941, 868.71674)(610.3931, 617.22) 3 607.383 607.383@11.890498 + 639.3748@11.892638 11.892638 (640.3833, 2649.6948)(641.3852, 901.06995) 2 639.3748 639.3748@11.892638 + 669.3992@11.89711 11.89711 (670.4065, 1025.9)(671.4089, 455.49)(672.3922, 887.42)(673.3988, 129.41) 1 669.3992 669.3992@11.89711 + 493.317@11.905959 11.905959 (494.3243, 1093.46) 1 493.317 493.317@11.905959 + 637.3947@11.941461 11.941461 (638.40405, 2496.0266)(639.4092, 862.9267)(640.3952, 935.51) 3 637.3947 637.3947@11.941461 + 684.3495@11.931521 11.931521 (685.3568, 1204.81) 1 684.3495 684.3495@11.931521 + 663.4099@11.937419 11.937419 (664.4172, 11869.0)(665.4207, 4186.37)(666.4127, 2438.84) 1 663.4099 663.4099@11.937419 + 731.436@11.953904 11.953904 (732.44305, 5341.995)(733.4462, 1469.38)(734.4476, 522.27)(754.43, 620.34) 2 731.436 731.436@11.953904 + 591.3521@11.976166 11.976166 (592.35956, 2198.1267)(593.36224, 913.34) 3 591.3521 591.3521@11.976166 + 633.3641@12.001127 12.001127 (634.37115, 12265.533)(635.37445, 3800.455)(636.38324, 1936.36)(656.3549, 752.01666) 8 633.3641 633.3641@12.001127 + 659.3943@11.981598 11.981598 (660.40076, 1283.94)(661.40344, 545.44) 2 659.3943 659.3943@11.981598 + 555.3892@11.999002 11.999002 (556.3961, 1389.26)(557.3998, 472.85376)(578.3794, 389.3425) 10 555.3892 555.3892@11.999002 + 653.3905@11.968877 11.968877 (654.3978, 2505.98)(655.4001, 879.3) 1 653.3905 653.3905@11.968877 + 1102.7172@11.995417 11.995417 (1103.7245, 2269.25)(1104.7252, 1411.31)(1105.726, 472.35) 1 1102.7172 1102.7172@11.995417 + 623.3813@12.039382 12.039382 (624.38837, 29959.969)(625.39056, 8691.433)(626.39734, 3368.0667)(627.4023, 1006.21497)(646.3681, 1058.25)(647.3698, 423.82) 3 623.3813 623.3813@12.039382 + 438.334@12.030533 12.030533 (439.34116, 1715.065)(440.3448, 546.0) 2 438.334 438.334@12.030533 + 698.3642@12.031029 12.031029 (699.37244, 4317.125)(700.3788, 1537.8501)(701.3832, 428.55) 2 698.3642 698.3642@12.031029 + 709.4485@12.011142 12.011142 (710.4557, 1623.78)(711.4584, 898.09) 1 709.4485 709.4485@12.011142 + 651.4115@12.058421 12.058421 (652.41907, 2936.4976)(653.4226, 1111.755)(654.4163, 642.23) 4 651.4115 651.4115@12.058421 + 681.421@12.055235 12.055235 (682.42773, 1860.05)(683.431, 703.315) 2 681.421 681.421@12.055235 + 717.4216@12.084191 12.084191 (718.4295, 16106.98)(719.43256, 5584.726)(720.43744, 3370.4175)(721.4408, 766.53503)(740.41327, 1494.1699)(741.4152, 669.32666) 9 717.4216 717.4216@12.084191 + 659.405@12.067101 12.067101 (660.4123, 1756.92)(661.4159, 784.595) 2 659.405 659.405@12.067101 + 739.4142@12.049471 12.049471 (740.4215, 1345.52)(741.4205, 593.87)(742.4327, 441.45) 1 739.4142 739.4142@12.049471 + 752.3776@12.0592985 12.0592985 (753.3849, 1627.22)(754.401, 425.53) 1 752.3776 752.3776@12.0592985 + 807.4887@12.070107 12.070107 (808.496, 1255.28)(809.4984, 642.99) 1 807.4887 807.4887@12.070107 + 701.4237@12.083864 12.083864 (702.431, 2424.83)(703.4336, 1014.27) 1 701.4237 701.4237@12.083864 + 675.411@12.129989 12.129989 (676.4178, 18956.727)(677.42096, 6187.9966)(678.42676, 2049.53)(679.4318, 911.11)(698.4015, 946.15)(699.3998, 444.55) 3 675.411 675.411@12.129989 + 766.3924@12.098603 12.098603 (767.3997, 1183.95) 1 766.3924 766.3924@12.098603 + 745.4498@12.106463 12.106463 (746.4571, 5350.76)(747.4605, 1910.59) 1 745.4498 745.4498@12.106463 + 767.4518@12.149132 12.149132 (768.45776, 1700.06)(769.4615, 785.74)(770.4573, 435.315) 3 767.4518 767.4518@12.149132 + 619.3833@12.181303 12.181303 (620.3915, 14743.789)(621.3949, 4440.7256) 10 619.3833 619.3833@12.181303 + 565.372@12.14478 12.14478 (566.3793, 1612.17)(567.3822, 538.14) 1 565.372 565.372@12.14478 + 673.4123@12.190864 12.190864 (674.41833, 3076.8577)(675.42224, 1194.355) 4 673.4123 673.4123@12.190864 + 637.4032@12.200138 12.200138 (638.41534, 8718.031)(639.41736, 2923.255)(640.4176, 4932.645)(641.4215, 2334.7)(660.39465, 529.63) 6 637.4032 637.4032@12.200138 + 743.437@12.1565695 12.1565695 (744.4443, 6461.46)(745.4488, 2577.96) 1 743.437 743.437@12.1565695 + 631.3851@12.224459 12.224459 (632.3919, 9725.415)(633.3943, 3129.47)(634.4, 2590.94) 5 631.3851 631.3851@12.224459 + 721.4508@12.225194 12.225194 (722.4581, 2519.2)(723.4614, 1174.145)(724.44836, 752.255) 2 721.4508 721.4508@12.225194 + 687.4109@12.2047 12.2047 (688.4182, 5532.34)(689.4213, 2366.7) 1 687.4109 687.4109@12.2047 + 685.4295@12.203277 12.203277 (686.4359, 1731.32)(687.43994, 603.225) 2 685.4295 685.4295@12.203277 + 681.4228@12.21354 12.21354 (682.43, 1504.85)(683.4301, 676.16)(684.4213, 555.55) 1 681.4228 681.4228@12.21354 + 705.457@12.263674 12.263674 (706.4645, 14255.543)(707.46716, 5095.6426)(708.46234, 1793.86)(709.4531, 635.2)(728.44434, 1090.1666)(729.4478, 455.85)(730.4367, 593.81) 4 705.457 705.457@12.263674 + 673.4246@12.222441 12.222441 (674.4309, 2024.5549)(675.434, 880.10504) 2 673.4246 673.4246@12.222441 + 657.3985@12.252825 12.252825 (658.4058, 2257.58)(659.4101, 858.47)(660.4131, 374.92) 1 657.3985 657.3985@12.252825 + 621.3973@12.29816 12.29816 (622.40454, 7426.27)(623.4089, 2178.96)(624.40155, 540.8)(644.3886, 439.87) 3 621.3973 621.3973@12.29816 + 645.4005@12.325697 12.325697 (646.4076, 33746.215)(647.41016, 10975.96)(648.4143, 3774.16)(649.4173, 987.36)(668.393, 1177.44)(669.3942, 478.22) 2 645.4005 645.4005@12.325697 + 634.4015@12.2616625 12.2616625 (635.4088, 1491.77) 1 634.4015 634.4015@12.2616625 + 695.4312@12.291851 12.291851 (696.4376, 1454.03)(697.43994, 675.365) 2 695.4312 695.4312@12.291851 + 779.4584@12.294814 12.294814 (780.46545, 1912.3301)(781.46936, 871.73)(782.4695, 448.32) 2 779.4584 779.4584@12.294814 + 551.3585@12.328262 12.328262 (552.36536, 9095.237)(553.3692, 2472.8777)(554.37195, 739.645)(574.3519, 470.41) 4 551.3585 551.3585@12.328262 + 687.4122@12.266891 12.266891 (688.41797, 1963.6832)(689.4216, 869.78)(690.43115, 3805.8503)(691.43494, 1640.4) 3 687.4122 687.4122@12.266891 + 591.3877@12.304674 12.304674 (592.3954, 1424.47)(593.3999, 540.515)(594.3783, 2396.15)(595.3801, 624.6)(596.3781, 290.18) 2 591.3877 591.3877@12.304674 + 853.5143@12.29505 12.29505 (854.5215, 2633.36)(855.524, 949.27)(856.5241, 561.64) 1 853.5143 853.5143@12.29505 + 715.4421@12.341556 12.341556 (716.44824, 8155.2695)(717.4519, 3211.3867)(718.4457, 429.9)(738.4335, 833.525)(739.4347, 350.71) 3 715.4421 715.4421@12.341556 + 771.4654@12.301923 12.301923 (772.4727, 2311.09)(773.4764, 663.82) 1 771.4654 771.4654@12.301923 + 657.4002@12.307814 12.307814 (658.4075, 1578.57)(659.4093, 609.43) 1 657.4002 657.4002@12.307814 + 711.4333@12.308796 12.308796 (712.4406, 1036.85)(713.4428, 481.84)(714.4336, 662.82) 1 711.4333 711.4333@12.308796 + 769.452@12.319595 12.319595 (770.4593, 3582.62)(771.4622, 1728.41) 1 769.452 769.452@12.319595 + 659.4136@12.367022 12.367022 (660.4208, 1509.6174)(661.42346, 705.59)(662.4192, 503.09) 4 659.4136 659.4136@12.367022 + 731.4415@12.347675 12.347675 (732.45044, 5547.755)(733.45166, 2012.75)(734.4547, 1232.6901)(735.4579, 490.29) 2 731.4415 731.4415@12.347675 + 783.4669@12.350147 12.350147 (784.47437, 4730.72)(785.47815, 2086.195)(786.48035, 776.93) 2 783.4669 783.4669@12.350147 + 749.4467@12.327451 12.327451 (750.4539, 3195.23)(751.454, 1643.38)(752.4494, 708.23) 1 749.4467 749.4467@12.327451 + 633.3986@12.335304 12.335304 (634.4058, 3825.74)(635.4084, 1493.2)(636.4085, 1108.77) 1 633.3986 633.3986@12.335304 + 549.3783@12.35429 12.35429 (550.38556, 6425.061)(551.38776, 1975.1179)(552.3898, 672.7833)(572.36835, 580.0751) 35 549.3783 549.3783@12.35429 + 605.3907@12.346104 12.346104 (606.398, 1811.35)(607.3992, 933.33)(608.3979, 2411.24)(609.4003, 996.57)(610.4014, 724.63) 1 605.3907 605.3907@12.346104 + 671.4151@12.37632 12.37632 (672.4218, 1447.2949)(673.42487, 626.19)(674.4324, 473.19) 2 671.4151 671.4151@12.37632 + 1168.7614@12.394592 12.394592 (1169.7683, 2006.9)(1170.7693, 1256.91)(1171.7719, 622.895) 2 1168.7614 1168.7614@12.394592 + 1170.7726@12.412853 12.412853 (1171.7799, 1209.05)(1172.7842, 771.38)(1173.7806, 522.9) 1 1170.7726 1170.7726@12.412853 + 1158.779@12.444935 12.444935 (1159.7854, 3865.695)(1160.7874, 2500.4502)(1161.7804, 1561.92) 2 1158.779 1158.779@12.444935 + 623.3796@12.47276 12.47276 (624.38715, 3532.0603)(625.3903, 1117.0734)(626.3928, 376.11) 3 623.3796 623.3796@12.47276 + 637.3971@12.495557 12.495557 (638.40436, 12134.466)(639.40674, 3846.6965)(640.4079, 1009.0) 3 637.3971 637.3971@12.495557 + 1186.7711@12.462905 12.462905 (1187.7783, 1043.77)(1188.781, 691.68) 1 1186.7711 1186.7711@12.462905 + 609.3997@12.518045 12.518045 (610.4065, 3496.29)(611.4094, 1124.875)(612.411, 499.47) 4 609.3997 609.3997@12.518045 + 733.4516@12.504514 12.504514 (734.45874, 3933.63)(735.4614, 1591.9701)(736.4551, 1963.7349)(716.4484, 7018.23)(717.4518, 2860.28) 3 733.4516 733.4516@12.504514 + 595.3834@12.496777 12.496777 (596.3904, 1961.8201)(597.3933, 601.885) 2 595.3834 595.3834@12.496777 + 769.4522@12.513066 12.513066 (770.4595, 5396.37)(771.4634, 2433.1133)(772.4694, 822.1066)(773.4729, 333.19) 3 769.4522 769.4522@12.513066 + 667.4089@12.495287 12.495287 (668.4162, 1366.69)(669.4201, 456.08) 1 667.4089 667.4089@12.495287 + 677.4267@12.559142 12.559142 (678.4342, 17432.662)(679.4371, 5773.7217)(680.4381, 2366.1426)(681.4426, 991.61)(700.4186, 663.09)(701.4235, 350.0)(702.4261, 235.72) 5 677.4267 677.4267@12.559142 + 663.4117@12.556995 12.556995 (664.41895, 9834.852)(665.42224, 3215.3665)(666.4276, 1854.87)(667.4332, 395.95)(681.4507, 373.14) 6 663.4117 663.4117@12.556995 + 617.3729@12.538457 12.538457 (618.3802, 1056.09)(619.3785, 409.43) 1 617.3729 617.3729@12.538457 + 332.292@12.596162 12.596162 (333.2991, 816.1565)(334.302, 316.275)(350.3254, 4625.8438)(351.3282, 1034.5294)(352.3217, 1203.2981)(353.32413, 400.5367) 17 332.292 332.292@12.596162 + 611.3801@12.612174 12.612174 (612.3867, 4051.205)(613.39014, 1252.4425)(614.3927, 456.055) 4 611.3801 611.3801@12.612174 + 681.4185@12.569849 12.569849 (682.4258, 2756.28)(683.4299, 1059.1)(684.4224, 1840.52)(685.427, 534.69) 1 681.4185 681.4185@12.569849 + 729.457@12.595497 12.595497 (730.4636, 2392.45)(731.46606, 1070.85) 2 729.457 729.457@12.595497 + 631.4173@12.571811 12.571811 (632.4246, 1269.88)(633.4273, 432.36)(634.4096, 1234.02) 1 631.4173 631.4173@12.571811 + 625.396@12.626829 12.626829 (626.40204, 10687.588)(627.4058, 3168.1926)(628.40796, 1379.1167)(629.414, 253.31)(648.3883, 732.53) 7 625.396 625.396@12.626829 + 591.3897@12.613007 12.613007 (592.397, 1327.94)(593.3975, 537.88) 1 591.3897 591.3897@12.613007 + 681.4233@12.646353 12.646353 (682.4306, 1721.27)(683.4318, 643.51) 1 681.4233 681.4233@12.646353 + 741.4565@12.683326 12.683326 (742.4632, 2469.2249)(743.46704, 1338.94) 2 741.4565 741.4565@12.683326 + 685.431@12.705869 12.705869 (686.4372, 3219.2002)(687.4416, 1333.1432)(688.44855, 2275.6433)(689.4557, 2284.29) 3 685.431 685.431@12.705869 + 737.4785@12.666946 12.666946 (738.4858, 1190.42)(739.4865, 607.01) 1 737.4785 737.4785@12.666946 + 579.3537@12.677732 12.677732 (580.361, 1688.89)(581.3643, 639.9) 1 579.3537 579.3537@12.677732 + 697.4098@12.7289715 12.7289715 (698.41455, 1177.06)(699.4157, 618.08) 2 697.4098 697.4098@12.7289715 + 673.428@12.699305 12.699305 (674.4353, 1697.88)(675.4368, 1040.68) 1 673.428 673.428@12.699305 + 715.4409@12.744008 12.744008 (716.4484, 2925.0867)(717.4507, 1383.0101) 3 715.4409 715.4409@12.744008 + 679.4494@12.749062 12.749062 (680.4561, 2810.5664)(681.4609, 1203.4033)(682.44763, 529.275) 3 679.4494 679.4494@12.749062 + 823.5529@12.7303705 12.7303705 (824.56055, 4946.183)(825.5638, 2233.5134) 3 823.5529 823.5529@12.7303705 + 655.3832@12.738098 12.738098 (656.3906, 1914.8799)(657.39526, 663.955) 2 655.3832 655.3832@12.738098 + 711.422@12.773091 12.773091 (712.4245, 1395.2767)(713.4287, 536.84)(714.4454, 202.15) 3 711.422 711.422@12.773091 + 773.4849@12.773636 12.773636 (774.4907, 3559.1997)(775.4949, 1719.64)(776.4938, 365.03497)(756.4872, 1371.39)(757.4828, 744.27)(758.4633, 2782.65) 2 773.4849 773.4849@12.773636 + 757.4561@12.794369 12.794369 (758.46265, 3148.925)(759.4647, 1326.4049)(760.473, 1012.69) 2 757.4561 757.4561@12.794369 + 649.4309@12.842224 12.842224 (650.4369, 12814.87)(651.4404, 3714.002)(652.42126, 5854.365)(653.42316, 2379.3267) 5 649.4309 649.4309@12.842224 + 809.4921@12.813998 12.813998 (810.4994, 2695.68)(811.4985, 957.44) 1 809.4921 809.4921@12.813998 + 647.4168@12.907732 12.907732 (648.42303, 16094.984)(649.4262, 5292.15)(650.43616, 2848.24)(651.44025, 1143.04)(670.40515, 2374.6802)(671.4093, 848.505)(672.4183, 1372.41) 5 647.4168 647.4168@12.907732 + 771.4736@12.88319 12.88319 (772.4785, 5757.4243)(773.4819, 2479.7034)(774.4922, 2811.8247)(775.49866, 491.28998)(794.4636, 768.05) 6 771.4736 771.4736@12.88319 + 697.4301@12.825759 12.825759 (698.4374, 1358.11)(699.4375, 593.71)(700.4482, 302.2) 1 697.4301 697.4301@12.825759 + 687.44@12.85547 12.85547 (688.448, 2420.0)(689.452, 1069.27)(690.4352, 1454.65)(691.4409, 252.74)(692.4509, 524.82) 2 687.44 687.44@12.85547 + 865.5235@12.83458 12.83458 (866.5308, 2018.62)(867.5269, 611.23) 1 865.5235 865.5235@12.83458 + 659.4167@12.861349 12.861349 (660.423, 2988.5679)(661.426, 1147.43)(662.4283, 207.3) 5 659.4167 659.4167@12.861349 + 823.5086@12.875737 12.875737 (824.5159, 6015.64)(825.5149, 3112.8)(826.5129, 2429.9) 1 823.5086 823.5086@12.875737 + 819.5247@12.923139 12.923139 (820.53107, 5781.0938)(821.53467, 2390.0732)(842.5141, 627.5) 3 819.5247 819.5247@12.923139 + 699.4456@12.895333 12.895333 (700.4528, 1743.61)(701.4561, 933.39) 1 699.4456 699.4456@12.895333 + 743.4722@12.94672 12.94672 (744.47925, 3337.6301)(745.4821, 1432.41)(746.478, 339.61) 2 743.4722 743.4722@12.94672 + 785.4867@12.971368 12.971368 (786.49414, 8951.49)(787.4956, 4001.875) 2 785.4867 785.4867@12.971368 + 787.5239@12.971857 12.971857 (788.5375, 8431.895)(789.5376, 2805.185)(790.5366, 8158.9453)(791.54004, 2760.13)(792.538, 573.79004)(810.5088, 4279.81)(811.5087, 1666.51)(812.5111, 5387.17)(813.513, 2062.22) 2 787.5239 787.5239@12.971857 + 729.4572@13.002721 13.002721 (730.46423, 2244.68)(731.47034, 1082.39)(732.4782, 1149.7667)(733.4821, 350.24) 4 729.4572 729.4572@13.002721 + 767.4728@12.997073 12.997073 (768.4788, 1257.9634)(769.48517, 563.57)(770.4992, 885.1) 3 767.4728 767.4728@12.997073 + 691.4429@13.008677 13.008677 (692.4493, 3458.1802)(693.45325, 1514.23)(694.463, 1441.01) 4 691.4429 691.4429@13.008677 + 763.4972@13.004893 13.004893 (764.5047, 1581.31)(765.5066, 694.605) 2 763.4972 763.4972@13.004893 + 579.3881@13.04519 13.04519 (580.39465, 2577.6274)(581.39874, 837.57745)(582.4068, 399.33) 4 579.3881 579.3881@13.04519 + 950.534@12.992316 12.992316 (951.5414, 1310.97)(952.5491, 1114.69)(953.5524, 608.21)(968.5674, 401.25) 1 950.534 950.534@12.992316 + 869.5425@13.044298 13.044298 (870.54785, 20787.316)(871.55164, 9094.107)(872.55566, 3149.4465) 4 869.5425 869.5425@13.044298 + 685.4295@13.046181 13.046181 (686.4368, 1148.66)(687.4407, 537.28)(688.4506, 396.57) 1 685.4295 685.4295@13.046181 + 743.473@13.035542 13.035542 (744.47925, 3873.5828)(745.4822, 1699.1575)(746.4871, 297.71)(766.4638, 491.44) 4 743.473 743.473@13.035542 + 405.7672@13.108906 13.108906 (406.77448, 1851.01)(407.78137, 897.66) 2 405.7672 405.7672@13.108906 + 725.4611@13.130694 13.130694 (726.46906, 1858.7433)(727.472, 826.0967) 3 725.4611 725.4611@13.130694 + 687.4467@13.186496 13.186496 (688.4537, 2860.6433)(689.4578, 1204.84)(690.4625, 495.7) 3 687.4467 687.4467@13.186496 + 773.5202@13.185264 13.185264 (774.53015, 4926.965)(775.53375, 2371.84)(776.5343, 691.595)(777.5302, 189.01)(796.5116, 1051.26)(797.5146, 803.01) 2 773.5202 773.5202@13.185264 + 795.5053@13.20575 13.20575 (796.5126, 19780.28)(797.5154, 8454.02) 1 795.5053 795.5053@13.20575 + 827.5309@13.26506 13.26506 (828.53735, 10556.537)(829.5404, 4623.0425)(830.5498, 2788.8774) 4 827.5309 827.5309@13.26506 + 593.4052@13.292865 13.292865 (594.41125, 3713.825)(595.4138, 1291.6)(596.4192, 571.73) 4 593.4052 593.4052@13.292865 + 713.4623@13.268378 13.268378 (714.4696, 2899.37)(715.4739, 1342.09)(716.4823, 2238.0)(717.483, 1042.44)(718.4782, 195.96) 1 713.4623 713.4623@13.268378 + 751.4784@13.344658 13.344658 (752.48505, 3131.4133)(753.49384, 1392.75)(754.4878, 680.08997) 3 751.4784 751.4784@13.344658 + 771.5063@13.34175 13.34175 (772.5135, 7070.57)(773.5171, 2933.95)(774.5279, 7987.94)(775.5327, 3507.8)(776.5332, 948.5) 1 771.5063 771.5063@13.34175 + 743.4747@13.344685 13.344685 (744.482, 1698.22)(745.4903, 893.32)(746.4952, 1354.06) 1 743.4747 743.4747@13.344685 + 449.3707@13.391445 13.391445 (450.3782, 2526.3936)(451.38126, 728.4183) 13 449.3707 449.3707@13.391445 + 827.5299@13.440189 13.440189 (828.54144, 12228.791)(829.5442, 5143.9062)(830.5543, 3979.8188)(831.55505, 3820.435) 9 827.5299 827.5299@13.440189 + 863.5956@13.461189 13.461189 (864.6076, 2852.03)(865.6103, 1327.2067) 6 863.5956 863.5956@13.461189 + 761.5351@13.4370365 13.4370365 (762.5445, 970.6)(763.53357, 693.015) 2 761.5351 761.5351@13.4370365 + 932.5268@13.443459 13.443459 (933.534, 2366.27)(934.5393, 1433.38)(935.5452, 168.38) 1 932.5268 932.5268@13.443459 + 600.4314@13.549756 13.549756 (601.43823, 4170.675)(602.4413, 1098.9888)(603.444, 424.11) 70 600.4314 600.4314@13.549756 + 805.5486@13.512871 13.512871 (806.5559, 211676.7)(807.5588, 88106.77)(808.5612, 19003.29) 1 805.5486 805.5486@13.512871 + 813.5516@13.58521 13.58521 (814.5585, 26015.17)(815.56165, 10943.965)(816.5645, 4772.645)(817.5671, 1727.44) 2 813.5516 813.5516@13.58521 + 797.5217@13.5685835 13.5685835 (798.5289, 40317.11)(799.5319, 16012.28)(800.5451, 3693.6) 1 797.5217 797.5217@13.5685835 + 827.5315@13.640855 13.640855 (828.53845, 27281.404)(829.5411, 11598.38)(830.55054, 5385.015)(831.5552, 1803.2051) 2 827.5315 827.5315@13.640855 + 851.5326@13.690836 13.690836 (852.5385, 6808.0776)(853.5414, 3126.577)(854.5509, 2016.8428)(855.5556, 3547.26) 7 851.5326 851.5326@13.690836 + 931.6165@13.658479 13.658479 (932.6237, 1081.37)(933.6316, 606.0) 1 931.6165 931.6165@13.658479 + 755.5098@13.7131815 13.7131815 (756.5171, 4000.63)(757.5207, 1114.85) 1 755.5098 755.5098@13.7131815 + 621.4336@13.786427 13.786427 (622.4409, 2367.22)(623.4449, 1119.76) 1 621.4336 621.4336@13.786427 + 384.3389@13.832316 13.832316 (385.3462, 6369.51)(386.3489, 1827.4)(367.3354, 1654.84)(368.3391, 451.3) 1 384.3389 384.3389@13.832316 + 400.3337@13.880733 13.880733 (401.34122, 2510.0835)(402.3445, 817.2033) 3 400.3337 400.3337@13.880733 + 384.339@13.918266 13.918266 (385.3462, 2897.2424)(386.3494, 914.77)(367.33557, 1685.8201)(368.3395, 687.46) 4 384.339 384.339@13.918266 + 448.3299@14.005354 14.005354 (449.33716, 6065.211)(450.3405, 1740.8683)(451.34338, 507.60266) 68 448.3299 448.3299@14.005354 + 809.5226@14.023569 14.023569 (810.53125, 8768.035)(811.53503, 3333.6548)(812.54346, 3053.4849)(813.5475, 1352.26) 2 809.5226 809.5226@14.023569 + 860.5514@13.992374 13.992374 (861.5586, 3429.81)(862.5605, 1525.24)(863.5604, 411.35) 1 860.5514 860.5514@13.992374 + 837.5527@14.054204 14.054204 (838.5635, 36678.906)(839.5656, 15979.946)(840.56793, 3866.6433)(841.5669, 987.675) 3 837.5527 837.5527@14.054204 + 873.5736@14.083093 14.083093 (874.5809, 32134.13)(875.5836, 14392.83)(876.5885, 3167.95) 1 873.5736 873.5736@14.083093 + 400.3337@14.192525 14.192525 (823.6535, 3023.8135)(824.6558, 1928.5433)(825.6611, 713.895)(401.341, 8805.99)(402.34482, 2507.186)(403.3474, 587.77997) 5 400.3337 400.3337@14.192525 + 791.5595@14.29951 14.29951 (792.5668, 47594.68)(793.5685, 7143.47) 1 791.5595 791.5595@14.29951 + 400.334@14.498208 14.498208 (401.3415, 1462.12)(418.3676, 867.6)(419.3612, 369.22) 1 400.334 400.334@14.498208 + 801.552@14.556616 14.556616 (802.5593, 19710.39)(803.5622, 8258.52) 1 801.552 801.552@14.556616 + 444.3611@14.645175 14.645175 (445.3684, 1221.97)(446.3703, 412.79) 1 444.3611 444.3611@14.645175 + 388.2608@14.842607 14.842607 (389.2679, 768.56)(371.2576, 1057.11) 1 388.2608 388.2608@14.842607 + 791.5667@14.867882 14.867882 (792.574, 18102.88)(793.5775, 7036.71)(794.5558, 3745.66)(795.5433, 691.33) 1 791.5667 791.5667@14.867882 + 866.5852@14.979641 14.979641 (867.5925, 4028.06) 1 866.5852 866.5852@14.979641 + 384.3391@15.093704 15.093704 (385.34625, 7325.295)(386.34946, 2066.39)(387.3501, 390.615)(367.33588, 736.08) 2 384.3391 384.3391@15.093704 + 402.3493@15.133497 15.133497 (403.35663, 1933.93)(404.35986, 1012.21497)(385.34595, 1642.6635)(386.35077, 602.15)(420.38263, 966.25)(421.3869, 333.45)(425.3375, 464.5533) 5 402.3493 402.3493@15.133497 + 417.36@15.054439 15.054439 (418.3672, 1139.4) 1 417.36 417.36@15.054439 + 600.5108@15.029135 15.029135 (601.5179, 3017.174)(602.521, 1265.3381)(603.52454, 401.67334) 5 600.5108 600.5108@15.029135 + 574.4954@15.012696 15.012696 (575.5025, 5853.964)(576.5059, 2294.4448)(577.50916, 609.425) 8 574.4954 574.4954@15.012696 + 829.5618@15.247385 15.247385 (830.56934, 24079.963)(831.57227, 11418.283)(832.5757, 2999.9722)(833.5798, 589.67)(852.55225, 1927.965)(853.5562, 1090.225) 5 829.5618 829.5618@15.247385 + 612.511@15.2854395 15.2854395 (613.5181, 1099.16)(614.52106, 502.56665) 3 612.511 612.511@15.2854395 + 384.3389@15.390237 15.390237 (385.3461, 1023.49) 1 384.3389 384.3389@15.390237 + 910.556@15.434077 15.434077 (911.56305, 1416.73)(912.5669, 803.9849)(913.5694, 338.64)(928.58966, 807.328)(929.59216, 468.77002)(933.5451, 423.96) 6 910.556 910.556@15.434077 + 650.5264@15.383131 15.383131 (651.5335, 2260.3584)(652.53656, 1083.0284)(653.5405, 416.11752) 13 650.5264 650.5264@15.383131 + 428.3656@15.532424 15.532424 (429.37283, 39687.08)(430.3758, 10705.813)(431.37878, 1624.7426)(432.3818, 174.01) 11 428.3656 428.3656@15.532424 + 886.5572@15.90854 15.90854 (887.5643, 29558.127)(888.5673, 13696.984)(889.57007, 3703.7031)(890.5751, 600.1461)(904.5899, 7921.2144)(905.5931, 3901.7454)(906.5961, 1158.0936)(907.5993, 159.96777)(909.5451, 1448.31) 24 886.5572 886.5572@15.90854 + 626.5281@15.908817 15.908817 (627.53546, 97707.28)(628.5384, 38177.55)(629.5407, 7342.3477)(630.5436, 1007.75244)(631.5475, 35.68) 24 626.5281 626.5281@15.908817 + 869.6111@15.903606 15.903606 (870.6184, 1413.34)(871.6227, 857.61) 1 869.6111 869.6111@15.903606 + 697.4906@15.993034 15.993034 (698.49805, 1437.285)(699.5042, 702.4372) 25 697.4906 697.4906@15.993034 + 428.3649@15.961623 15.961623 (429.37247, 1506.8531)(430.37637, 524.42334) 3 428.3649 428.3649@15.961623 + 849.5875@15.9468355 15.9468355 (850.5954, 2263.226)(851.59894, 1195.156)(852.60535, 1016.05005) 5 849.5875 849.5875@15.9468355 + 399.7862@16.044807 16.044807 (400.7934, 1810.65) 1 399.7862 399.7862@16.044807 + 763.5163@16.16612 16.16612 (764.5245, 14493.352)(765.5272, 6110.66)(766.5331, 1355.1224)(767.539, 253.104) 8 763.5163 763.5163@16.16612 + 697.4909@16.351362 16.351362 (698.49835, 3783.9917)(699.5017, 1746.556)(700.50555, 463.675) 10 697.4909 697.4909@16.351362 + 602.5269@16.523647 16.523647 (603.5341, 5767.2256)(604.5372, 2510.4797)(605.54034, 684.54895) 26 602.5269 602.5269@16.523647 + 888.5718@16.733969 16.733969 (889.57886, 1313.8667)(890.5884, 699.23663) 6 888.5718 888.5718@16.733969 + 628.5422@16.685665 16.685665 (629.5494, 3223.108)(630.5528, 1431.8907)(631.5559, 453.66998) 15 628.5422 628.5422@16.685665 + 645.5322@17.007551 17.007551 (646.5398, 1462.1805)(647.5431, 659.38605) 18 645.5322 645.5322@17.007551 + 388.2612@16.955511 16.955511 (389.2682, 2748.044)(390.27173, 745.215)(391.2742, 335.21)(371.2579, 1219.8)(372.2607, 413.76334) 16 388.2612 388.2612@16.955511 + 688.5512@17.088999 17.088999 (689.5585, 3276.0107)(690.5611, 1504.7507)(691.56323, 422.35458) 15 688.5512 688.5512@17.088999 + 546.3919@17.93069 17.93069 (547.3992, 2150.28)(548.4026, 810.4) 1 546.3919 546.3919@17.93069 + 368.3444@17.991484 17.991484 (369.35162, 6973.6426)(370.35477, 1961.9454)(371.35706, 378.04126) 15 368.3444 368.3444@17.991484 + 815.6158@17.990051 17.990051 (816.623, 15427.283)(817.62573, 6840.87)(818.62054, 2265.6323)(819.6152, 633.2437) 8 815.6158 815.6158@17.990051 + 382.3598@18.908232 18.908232 (383.3668, 1229.29)(384.3693, 486.96) 2 382.3598 382.3598@18.908232 + 609.1762@19.585407 19.585407 (610.18335, 2570.1619)(611.1842, 1443.9382)(612.1824, 1149.8268) 11 609.1762 609.1762@19.585407 + 115.9695@0.7939399 0.7939399 (116.977684, 1645.9419)(134.00227, 1691.911) 32 115.9695 115.9695@0.7939399 + C3 H2 N2 O2 S 0.7940494 [ C3 H2 N2 O2 S, mfg=47.17, overall=47.17 ] (130.99265, 2273.1626)(148.0178, 1281.6332) 42 129.9853 C3 H2 N2 O2 S + 171.0103@0.7934286 0.7934286 (172.01775, 1562.886) 5 171.0103 171.0103@0.7934286 + 123.0166@0.80848783 0.80848783 (124.02396, 1540.2183)(125.02407, 413.34665) 47 123.0166 123.0166@0.80848783 + 138.9939@0.8085489 0.8085489 (140.00111, 1820.7694) 45 138.9939 138.9939@0.8085489 + 275.8716@0.8643778 0.8643778 (276.87854, 1138.748) 15 275.8716 275.8716@0.8643778 + 399.8203@0.8628982 0.8628982 (400.82693, 1380.13) 5 399.8203 399.8203@0.8628982 + 63.0091@0.8651876 0.8651876 (64.01638, 1301.3085) 45 63.0091 63.0091@0.8651876 + 331.8319@0.8654523 0.8654523 (332.8395, 1206.8763) 27 331.8319 331.8319@0.8654523 + 197.8545@0.867962 0.867962 (198.86186, 2662.957) 21 197.8545 197.8545@0.867962 + 149.0047@0.8843526 0.8843526 (150.01216, 1632.5278) 36 149.0047 149.0047@0.8843526 + 176.0176@0.8832767 0.8832767 (177.02464, 1295.8506) 18 176.0176 176.0176@0.8832767 + 155.0691@0.8940473 0.8940473 (156.0764, 3208.0457)(178.05827, 1762.7646) 25 155.0691 155.0691@0.8940473 + 55.0429@0.90966254 0.90966254 (56.05013, 3549.0469) 6 55.0429 55.0429@0.90966254 + 101.0477@0.9088041 0.9088041 (102.05511, 3874.6619)(84.04477, 8735.19)(124.03575, 431.055) 16 101.0477 101.0477@0.9088041 + 270.0327@0.9246013 0.9246013 (271.03983, 1087.7173) 11 270.0327 270.0327@0.9246013 + 257.1397@0.9449707 0.9449707 (258.14853, 1764.808) 5 257.1397 257.1397@0.9449707 + 174.1114@0.9987362 0.9987362 (175.11845, 1701.1101)(176.1248, 460.84) 5 174.1114 174.1114@0.9987362 + p-Aminobenzoic acid 0.99348116 C00568 p-Aminobenzoic acid [ C7 H7 N O2, mfg=77.12, db=77.08, overall=77.10, CAS ID=150-13-0, KEGG ID=C00568, HMP ID=HMDB01392, METLIN ID=3261 ] 150-13-0 (138.05354, 12332.401)(139.05704, 996.6318)(160.03464, 3706.5208)(161.0393, 459.86) 41 137.0471 p-Aminobenzoic acid HMDB01392 + 252.1194@1.0127203 1.0127203 (253.12631, 1093.415) 2 252.1194 252.1194@1.0127203 + 246.0353@1.0616288 1.0616288 (247.0426, 2012.5742) 17 246.0353 246.0353@1.0616288 + 161.1051@1.0632515 1.0632515 (162.11237, 30004.863)(163.11539, 2222.6484)(144.10153, 21446.625)(145.10464, 1916.9939) 33 161.1051 161.1051@1.0632515 + 132.0722@1.0912132 1.0912132 (133.0794, 1489.56) 1 132.0722 132.0722@1.0912132 + 100.0526@1.1891989 1.1891989 (101.059814, 2380.0608)(102.0569, 407.44)(83.05023, 488.45996) 14 100.0526 100.0526@1.1891989 + 99.0681@1.1804501 1.1804501 (100.075455, 2396.2893) 14 99.0681 99.0681@1.1804501 + 232.055@1.2237386 1.2237386 (233.06265, 2875.85) 2 232.055 232.055@1.2237386 + 211.1047@1.2683176 1.2683176 (212.11186, 1141.7837) 8 211.1047 211.1047@1.2683176 + 216.0605@1.2681625 1.2681625 (217.0678, 3470.5132)(218.07085, 462.195) 50 216.0605 216.0605@1.2681625 + 54.0475@1.2928401 1.2928401 (55.0548, 1221.045)(72.0811, 5244.19) 18 54.0475 54.0475@1.2928401 + 114.0428@1.3122643 1.3122643 (115.0501, 2545.3) 1 114.0428 114.0428@1.3122643 + 145.085@1.3175967 1.3175967 (146.09236, 2207.2278) 13 145.085 145.085@1.3175967 + 133.0269@1.3272674 1.3272674 (134.0341, 877.68)(151.0608, 2033.01) 1 133.0269 133.0269@1.3272674 + Acetone cyanohydrin 1.3337828 C02659 Acetone cyanohydrin [ C4 H7 N O, mfg=47.42, db=47.42, overall=47.42, CAS ID=75-86-5, KEGG ID=C02659, METLIN ID=63623 ] 75-86-5 (86.05988, 1266.2495) 36 85.0524 Acetone cyanohydrin + 203.0555@1.4069946 1.4069946 (204.06285, 1321.3314) 7 203.0555 203.0555@1.4069946 + 165.05@1.4262867 1.4262867 (166.0573, 661.24)(183.0838, 1531.11) 1 165.05 165.05@1.4262867 + 149.0505@1.4762955 1.4762955 (150.0577, 3438.0) 1 149.0505 149.0505@1.4762955 + 132.024@1.4748037 1.4748037 (133.03137, 1211.5161)(150.05772, 2303.0464) 13 132.024 132.024@1.4748037 + 144.0417@1.5155387 1.5155387 (145.04897, 1744.1022) 27 144.0417 144.0417@1.5155387 + 182.0768@1.5978404 1.5978404 (183.0842, 1726.845) 2 182.0768 182.0768@1.5978404 + 203.0554@1.6005497 1.6005497 (204.06256, 1737.0099) 3 203.0554 203.0554@1.6005497 + 159.1251@1.5892639 1.5892639 (160.13234, 1428.5591) 13 159.1251 159.1251@1.5892639 + 68.0627@1.8240515 1.8240515 (69.06953, 820.20514)(70.0657, 163.09999)(86.09653, 20882.312)(87.09947, 1156.1311) 37 68.0627 68.0627@1.8240515 + 131.0942@2.1727495 2.1727495 (132.10155, 25265.408)(133.1043, 1650.1526)(134.1129, 381.4)(154.08322, 824.8636) 27 131.0942 131.0942@2.1727495 + 135.0319@2.685211 2.685211 (136.03949, 1373.8761)(153.06535, 2377.7512) 18 135.0319 135.0319@2.685211 + 84.0219@3.0603294 3.0603294 (85.0292, 1066.7867) 3 84.0219 84.0219@3.0603294 + 136.0613@3.3666666 3.3666666 (137.0686, 3552.0098)(154.09367, 392.375) 12 136.0613 136.0613@3.3666666 + 104.0371@3.366653 3.366653 (105.0447, 1302.3049) 2 104.0371 104.0371@3.366653 + 145.0524@3.9087825 3.9087825 (146.05984, 1870.8503)(147.0642, 346.09) 19 145.0524 145.0524@3.9087825 + 143.0727@3.9063263 3.9063263 (144.08028, 1176.495) 4 143.0727 143.0727@3.9063263 + L-Tryptophan 3.9088888 C00078 L-Tryptophan [ C11 H12 N2 O2, mfg=46.30, db=46.19, overall=46.24, CAS ID=73-22-3, KEGG ID=C00078, HMP ID=HMDB00929, METLIN ID=33 ] 73-22-3 (227.07855, 2121.6052) 24 226.0713 L-Tryptophan HMDB00929 + 156.0708@3.9134116 3.9134116 (157.0776, 1142.845) 2 156.0708 156.0708@3.9134116 + 75.0323@4.3469963 4.3469963 (76.0396, 1209.96) 4 75.0323 75.0323@4.3469963 + 245.1622@4.854786 4.854786 (246.16957, 1429.1035) 17 245.1622 245.1622@4.854786 + 207.0892@5.496238 5.496238 (208.0965, 1321.7) 2 207.0892 207.0892@5.496238 + 246.0998@5.6914377 5.6914377 (247.10709, 2177.262)(248.1099, 553.71497) 10 246.0998 246.0998@5.6914377 + 339.0771@5.9931383 5.9931383 (340.08417, 1813.4622) 5 339.0771 339.0771@5.9931383 + 130.0411@5.9930763 5.9930763 (131.04857, 1640.7134) 3 130.0411 130.0411@5.9930763 + 515.2907@6.3531976 6.3531976 (1031.5865, 1703.056)(1032.59, 1174.6975)(1033.5876, 620.42)(516.29816, 12421.673)(517.30084, 3283.8733)(518.29987, 1189.4857)(519.3012, 412.38)(498.28748, 2444.5383)(499.29086, 822.8255)(533.3244, 3244.8708)(534.32745, 1111.3708)(535.32623, 611.33)(538.27954, 508.5025) 14 515.2907 515.2907@6.3531976 + 479.2694@6.352145 6.352145 (480.2769, 12786.191)(481.28018, 3445.4412)(482.27838, 1125.8961)(462.26642, 1270.0782)(463.26883, 578.88745) 11 479.2694 479.2694@6.352145 + 175.0625@6.3962536 6.3962536 (176.07, 1138.61) 2 175.0625 175.0625@6.3962536 + 515.2903@6.4198704 6.4198704 (516.2974, 1248.7899)(517.30084, 398.46002)(533.3246, 1743.52)(534.32764, 559.9) 3 515.2903 515.2903@6.4198704 + 497.2805@6.4111595 6.4111595 (498.28793, 1117.344)(499.29178, 543.88)(480.27692, 8023.211)(481.28018, 2197.6873)(482.27853, 801.0813) 10 497.2805 497.2805@6.4111595 + 515.291@6.4748945 6.4748945 (1031.5879, 3218.1802)(1032.5906, 1893.8981)(1033.5902, 1249.685)(1034.594, 510.76)(516.29803, 4158.71)(517.301, 1299.2)(518.299, 573.92004)(498.28745, 7261.605)(499.2896, 2061.215)(500.2879, 686.345)(533.32513, 32230.186)(534.32776, 8153.4946)(535.3261, 2680.8567)(536.32715, 703.30994)(538.2796, 572.7999) 13 515.291 515.291@6.4748945 + 497.2806@6.4754014 6.4754014 (498.28778, 11192.453)(499.29083, 3185.7979)(500.28864, 1140.2367)(501.2892, 297.3)(480.27713, 18658.818)(481.28018, 4898.9517)(482.27866, 1707.7488)(483.2797, 354.75668) 11 497.2806 497.2806@6.4754014 + 461.2603@6.466999 6.466999 (462.26694, 1297.5249)(463.2689, 412.24) 2 461.2603 461.2603@6.466999 + 530.3009@6.5919867 6.5919867 (531.3087, 5994.088)(532.3119, 1777.5378)(533.3187, 1245.2467) 5 530.3009 530.3009@6.5919867 + 513.2754@6.6519866 6.6519866 (1027.5554, 1052.1179)(1028.5608, 892.12)(1029.5594, 601.25)(514.28265, 8661.463)(515.28577, 2364.004)(516.28516, 972.9988)(496.27228, 732.6775)(531.3091, 15922.5205)(532.31213, 4344.292)(533.3124, 1915.4662)(534.31445, 336.015)(536.2643, 645.916) 10 513.2754 513.2754@6.6519866 + 463.2741@7.1038485 7.1038485 (464.28174, 2050.3423)(465.2854, 619.92) 5 463.2741 463.2741@7.1038485 + 515.2901@7.1088495 7.1088495 (516.29785, 1217.258)(533.32434, 6610.3076)(534.3274, 1946.5719)(535.3242, 750.135)(538.2781, 492.095) 5 515.2901 515.2901@7.1088495 + 497.28@7.1255426 7.1255426 (498.28732, 3744.763)(499.29037, 1064.6866)(500.2916, 537.208)(480.277, 2239.3909)(481.2799, 837.75507)(482.28973, 1079.2361) 9 497.28 497.28@7.1255426 + 479.2693@7.177573 7.177573 (480.27682, 5569.89)(481.2799, 1571.1088)(482.27917, 630.35333)(462.2667, 1531.8738)(463.26892, 599.68) 8 479.2693 479.2693@7.177573 + 515.292@7.1781263 7.1781263 (1031.5883, 10650.404)(1032.5908, 6360.476)(1033.5902, 3237.9014)(1034.5911, 1476.2949)(1035.5914, 432.63)(1053.5686, 773.07837)(1054.5726, 492.53333)(516.29816, 10996.825)(517.30115, 2913.1116)(518.30005, 1100.6782)(519.2985, 322.04)(498.28775, 19130.09)(499.29065, 4880.699)(500.2889, 1504.98)(501.2893, 378.19)(533.3255, 78718.734)(534.328, 19438.86)(535.326, 5462.697)(536.32697, 1151.0433)(538.28015, 859.20544)(539.2799, 332.81) 14 515.292 515.292@7.1781263 + 516.3222@7.824647 7.824647 (517.3307, 2435.202)(518.3331, 824.05) 5 516.3222 516.3222@7.824647 + 481.2853@7.8885717 7.8885717 (482.2926, 847.57)(464.2822, 2229.49)(465.2855, 663.16003) 2 481.2853 481.2853@7.8885717 + 871.213@8.095678 8.095678 (872.21924, 1532.6276)(873.226, 664.5414)(874.21936, 616.3952) 46 871.213 871.213@8.095678 + 372.2656@8.096022 8.096022 (373.2731, 3498.647)(374.27692, 905.2501)(355.26254, 1104.3317)(356.26508, 449.01) 10 372.2656 372.2656@8.096022 + 425.3159@8.094813 8.094813 (873.6241, 1086.99)(426.32062, 1413.1)(427.32242, 461.94998) 4 425.3159 425.3159@8.094813 + 816.5743@8.096308 8.096308 (817.58105, 1121.6425)(818.58374, 664.8366)(839.5631, 9041.452)(840.566, 4502.2876)(841.5685, 1280.5275) 4 816.5743 816.5743@8.096308 + 1088.0212@8.095548 8.095548 (1089.0286, 1603.8949) 47 1088.0212 1088.0212@8.095548 + 791.7396@8.097773 8.097773 (792.74695, 2650.0928) 50 791.7396 791.7396@8.097773 + 423.2982@8.391399 8.391399 (424.30533, 8706.942)(425.3077, 2611.6863) 13 423.2982 423.2982@8.391399 + 388.2605@8.384126 8.384126 (389.26764, 1981.1)(390.27246, 568.225) 2 388.2605 388.2605@8.384126 + 526.3143@8.384126 8.384126 (527.3221, 3589.6)(528.32526, 1127.395)(549.3029, 514.02) 2 526.3143 526.3143@8.384126 + 466.3038@8.384618 8.384618 (467.31158, 1418.21)(468.31702, 618.005) 2 466.3038 466.3038@8.384618 + 464.3241@8.387096 8.387096 (465.33148, 1728.4099)(466.3353, 541.62) 2 464.3241 464.3241@8.387096 + 834.525@8.389088 8.389088 (835.5321, 8180.585)(836.53516, 4191.3896)(837.547, 11612.275)(838.5499, 5320.6797) 2 834.525 834.525@8.389088 + 390.2764@8.3990135 8.3990135 (391.28357, 3018.08)(392.2875, 809.935)(373.2729, 2377.0)(374.2765, 582.11) 2 390.2764 390.2764@8.3990135 + 425.3126@8.409358 8.409358 (426.32007, 8456.057)(427.3237, 2175.7434)(428.3224, 949.64325) 10 425.3126 425.3126@8.409358 + 468.3197@8.3842125 8.3842125 (469.327, 1042.01)(470.3281, 465.93) 1 468.3197 468.3197@8.3842125 + 816.5738@8.402984 8.402984 (817.5805, 1021.07495)(818.5844, 674.1)(839.5627, 18348.73)(840.56616, 8493.225)(841.56854, 2283.215)(842.5711, 438.54) 2 816.5738 816.5738@8.402984 + 430.2685@8.406463 8.406463 (431.2757, 2385.63)(432.2791, 771.325) 2 430.2685 430.2685@8.406463 + 406.2708@8.432083 8.432083 (407.27808, 1621.3467)(408.28165, 474.315)(429.26, 429.17) 3 406.2708 406.2708@8.432083 + 227.188@8.734742 8.734742 (228.19534, 7058.1426)(229.19838, 1033.8627)(250.17715, 4909.594)(251.17998, 719.91187) 15 227.188 227.188@8.734742 + 194.1662@8.779583 8.779583 (195.17368, 1263.8152)(177.16301, 559.3959) 36 194.1662 194.1662@8.779583 + 128.0466@8.960707 8.960707 (129.05399, 1828.9325) 4 128.0466 128.0466@8.960707 + 228.1359@8.964275 8.964275 (229.14304, 7812.097)(230.14656, 1363.8992)(211.1326, 1102.6649)(246.16965, 3836.7366)(247.17278, 834.735)(251.12497, 1454.2949) 18 228.1359 228.1359@8.964275 + 425.3132@8.958214 8.958214 (426.3197, 1866.0132)(427.323, 855.7) 3 425.3132 425.3132@8.958214 + 528.3306@9.042273 9.042273 (529.3373, 3366.9648)(530.33997, 1102.755) 2 528.3306 528.3306@9.042273 + 466.3389@9.041773 9.041773 (467.34634, 2579.29)(468.35162, 779.31995)(469.3289, 1217.18) 2 466.3389 466.3389@9.041773 + 372.2658@9.048806 9.048806 (373.27298, 2427.7566)(374.2766, 639.79333)(355.26245, 1228.5634)(356.2653, 457.07) 3 372.2658 372.2658@9.048806 + 816.5753@9.042273 9.042273 (817.5823, 47029.734)(818.5852, 21497.629)(819.5874, 5408.525)(820.59204, 1089.6)(834.6071, 2602.4)(835.61066, 1391.14)(836.6114, 616.83)(839.56335, 22144.969)(840.5663, 10375.185)(841.5698, 2705.97)(842.5757, 642.43) 2 816.5753 816.5753@9.042273 + 425.3132@9.055754 9.055754 (426.32083, 20855.133)(427.3239, 4625.8403)(428.32654, 2033.625)(429.3274, 321.82) 13 425.3132 425.3132@9.055754 + 457.2269@10.10339 10.10339 (458.23398, 1443.3049)(459.24014, 524.7722) 40 457.2269 457.2269@10.10339 + 197.1772@10.37277 10.37277 (198.18474, 1453.637) 30 197.1772 197.1772@10.37277 + 305.2553@10.392926 10.392926 (306.2632, 1249.9342) 12 305.2553 305.2553@10.392926 + 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10.442588 10.442588 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid [ C20 H38 O5, mfg=44.99, db=95.05, overall=70.02, METLIN ID=35498 ] (381.26016, 7900.9307)(382.26367, 1636.8341)(383.26636, 440.21167) 58 380.2529 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10.442588 + 452.159@10.550635 10.550635 (453.16656, 1802.5673)(454.16946, 530.97363) 14 452.159 452.159@10.550635 + 314.1148@10.565059 10.565059 (315.12213, 962.171)(332.14862, 931.6991)(337.10397, 1912.5787)(338.10745, 425.23502) 37 314.1148 314.1148@10.565059 + 217.1461@10.634037 10.634037 (218.15324, 1513.2725) 4 217.1461 217.1461@10.634037 + 501.2852@10.857388 10.857388 (502.29218, 7072.4434)(503.29517, 1928.2324)(504.2989, 706.7999)(524.2752, 391.5375) 59 501.2852 501.2852@10.857388 + 1065.122@10.876228 10.876228 (1066.1302, 1181.438)(1067.1321, 1195.754) 5 1065.122 1065.122@10.876228 + 1038.6628@10.892037 10.892037 (1039.6708, 22598.564)(1040.6742, 11869.152)(1041.6765, 3608.973)(1042.6793, 967.255)(1061.6512, 3992.0989)(1062.6549, 2534.4287)(1063.6674, 5095.816)(1064.6722, 2546.895)(1065.6759, 871.85004) 12 1038.6628 1038.6628@10.892037 + 1063.6664@10.882044 10.882044 (1064.6727, 8435.275)(1065.6748, 2599.0498) 2 1063.6664 1063.6664@10.882044 + 218.1879@11.023789 11.023789 (219.19518, 4574.255)(220.19858, 940.77496)(236.22136, 2095.2825)(237.2243, 503.975) 8 218.1879 218.1879@11.023789 + 1084.6436@11.118582 11.118582 (1085.6511, 1859.2086)(1086.6543, 1173.5978)(1087.6676, 2355.0688)(1088.6709, 1206.7819)(1089.6775, 790.5112) 23 1084.6436 1084.6436@11.118582 + 577.3846@11.142773 11.142773 (578.3916, 1179.9038)(579.39514, 412.507) 37 577.3846 577.3846@11.142773 + 103.0995@11.087086 11.087086 (104.106766, 3586.2798)(105.1101, 374.7) 44 103.0995 103.0995@11.087086 + 521.3301@11.354669 11.354669 (522.3375, 1590.5227)(523.3347, 507.78738) 31 521.3301 521.3301@11.354669 + 603.4001@11.458869 11.458869 (604.4071, 1208.2218)(605.41, 424.66666) 6 603.4001 603.4001@11.458869 + 583.3025@11.47213 11.47213 (584.3103, 1076.0275)(585.31323, 379.48) 8 583.3025 583.3025@11.47213 + 1030.6309@11.567824 11.567824 (1031.6381, 1090.58)(1032.6401, 400.33398) 6 1030.6309 1030.6309@11.567824 + 162.0678@11.672863 11.672863 (163.07492, 1168.6937) 36 162.0678 162.0678@11.672863 + 290.2454@11.7256565 11.7256565 (291.2525, 1177.7574)(308.2791, 2854.8237)(309.2822, 532.6077) 52 290.2454 290.2454@11.7256565 + 351.2982@11.733676 11.733676 (352.3053, 2343.6372)(353.30817, 494.5175) 47 351.2982 351.2982@11.733676 + 543.3298@11.655357 11.655357 (544.3369, 4302.411)(545.33997, 1208.9447)(546.35077, 786.7766) 35 543.3298 543.3298@11.655357 + 1069.1538@11.762387 11.762387 (1070.1613, 1803.2783)(1071.1638, 1587.2445)(1072.1661, 398.03143) 34 1069.1538 1069.1538@11.762387 + 1069.6562@11.762855 11.762855 (1070.6641, 2336.155)(1071.6669, 836.2738) 31 1069.6562 1069.6562@11.762855 + 278.1514@11.938105 11.938105 (279.15875, 5022.6333)(280.162, 902.8548)(301.14047, 1660.5525) 55 278.1514 278.1514@11.938105 + 1046.726@12.166159 12.166159 (1047.7341, 5546.18)(1048.7347, 3164.6)(1049.7388, 1095.8)(1069.7135, 2386.7)(1070.7181, 1454.02)(1071.719, 433.8) 1 1046.726 1046.726@12.166159 + 1068.707@12.373419 12.373419 (1069.7146, 7602.835)(1070.7181, 4278.8525)(1071.7207, 1376.545)(1072.7227, 119.8475) 4 1068.707 1068.707@12.373419 + 1073.1855@12.439024 12.439024 (1074.1921, 1301.2001)(1075.1953, 1043.7417) 41 1073.1855 1073.1855@12.439024 + 733.5642@12.548644 12.548644 (734.5703, 1653.5865)(735.5744, 596.93335) 3 733.5642 733.5642@12.548644 + 354.2766@12.577751 12.577751 (355.28387, 10911.871)(356.28726, 2341.0002)(357.2898, 709.23663)(337.2742, 1628.3708)(338.27606, 609.8925)(372.3103, 8863.065)(373.31335, 1975.9517)(374.30685, 933.9072)(377.26596, 11083.908)(378.26923, 2389.716)(379.2755, 625.96106) 19 354.2766 354.2766@12.577751 + 588.3188@12.784496 12.784496 (589.3262, 2599.1245)(590.33044, 1129.0775)(591.3358, 343.55) 18 588.3188 588.3188@12.784496 + 650.3096@12.76497 12.76497 (651.31696, 1784.5302)(652.32025, 772.82) 14 650.3096 650.3096@12.76497 + 709.3846@12.706421 12.706421 (710.39166, 1754.69)(711.3949, 717.0825) 4 709.3846 709.3846@12.706421 + 756.3416@12.706784 12.706784 (757.34863, 23358.809)(758.3512, 8768.553)(759.35376, 2040.114)(760.356, 307.24002) 5 756.3416 756.3416@12.706784 + 694.3509@12.707141 12.707141 (695.35815, 27962.379)(696.36115, 9672.05)(697.3543, 3224.9023)(698.35315, 1001.4675) 4 694.3509 694.3509@12.707141 + 723.3655@12.816303 12.816303 (724.3731, 1462.2849)(725.3753, 694.05804)(726.3806, 644.61597)(727.3864, 112.58) 45 723.3655 723.3655@12.816303 + 735.402@12.815939 12.815939 (736.40936, 1084.5673)(737.4119, 490.5935) 29 735.402 735.402@12.815939 + 680.3343@12.714523 12.714523 (681.3415, 1307.92)(682.3551, 1008.25) 1 680.3343 680.3343@12.714523 + 658.2788@12.72826 12.72826 (659.2864, 2236.495)(660.2899, 788.70996) 2 658.2788 658.2788@12.72826 + 559.3615@12.764136 12.764136 (560.3683, 4314.3315)(561.37213, 1391.8623) 10 559.3615 559.3615@12.764136 + 789.5149@12.79502 12.79502 (790.52234, 1657.395)(791.5261, 791.985) 2 789.5149 789.5149@12.79502 + 347.2831@12.8212595 12.8212595 (348.2904, 3617.93)(349.2937, 917.64) 1 347.2831 347.2831@12.8212595 + 268.2184@12.827754 12.827754 (269.22556, 1774.3168)(270.2282, 485.065) 3 268.2184 268.2184@12.827754 + 330.2767@12.855906 12.855906 (683.5417, 1201.5162)(684.5451, 602.605)(331.28397, 9519.399)(332.28632, 2057.4324)(333.2893, 653.78)(313.2732, 1827.9613)(314.2761, 659.145)(353.26566, 6918.7534)(354.26907, 1415.6342)(355.2724, 304.38) 8 330.2767 330.2767@12.855906 + 815.5327@12.859585 12.859585 (816.5396, 1524.3168)(817.5435, 747.9033)(838.5205, 764.46) 3 815.5327 815.5327@12.859585 + 419.3248@12.856471 12.856471 (420.3312, 2340.4524)(421.33466, 638.60254) 4 419.3248 419.3248@12.856471 + 653.3232@12.919118 12.919118 (654.33093, 2462.1372)(655.33356, 989.04724) 13 653.3232 653.3232@12.919118 + 779.5428@12.95671 12.95671 (780.55084, 4242.656)(781.5544, 1912.4208)(782.56616, 6101.5527)(783.5698, 2603.8208)(784.58026, 1804.7041)(785.5918, 606.51746) 12 779.5428 779.5428@12.95671 + 808.5775@12.955893 12.955893 (809.58484, 3747.6274)(810.596, 2844.51)(811.6052, 999.4466) 4 808.5775 808.5775@12.955893 + 677.4626@12.916925 12.916925 (678.4691, 1394.47)(679.47186, 575.43) 2 677.4626 677.4626@12.916925 + 356.2923@12.936888 12.936888 (357.29974, 14780.436)(358.3029, 3178.705)(339.2885, 1895.665)(340.2916, 561.69)(374.3262, 4065.03)(375.32904, 930.245)(376.3175, 1382.61)(379.2816, 12531.595)(380.2849, 2726.2148) 2 356.2923 356.2923@12.936888 + 330.2765@12.965108 12.965108 (683.5413, 2325.6707)(684.54553, 1229.4095)(331.2841, 20747.863)(332.28656, 4031.3794)(333.29126, 1210.0681)(313.27313, 2009.4357)(314.2761, 809.88)(348.31134, 109427.6)(349.31393, 18398.676)(350.31616, 2635.8625)(351.3182, 336.41)(353.2656, 13929.675)(354.26904, 2888.7126)(355.2725, 1465.555) 46 330.2765 330.2765@12.965108 + 256.24@12.951925 12.951925 (257.2466, 806.68)(239.2368, 7755.45)(240.2404, 1262.19) 1 256.24 256.24@12.951925 + 312.2661@12.951925 12.951925 (313.2734, 4877.6)(314.2758, 1084.88) 1 312.2661 312.2661@12.951925 + 368.2326@13.037956 13.037956 (369.23975, 3021.831)(370.24356, 701.31335) 20 368.2326 368.2326@13.037956 + 726.593@12.952887 12.952887 (727.6003, 13186.44)(728.6028, 5297.68)(729.6029, 1433.19)(730.5999, 276.46) 1 726.593 726.593@12.952887 + 703.4794@12.969211 12.969211 (704.4867, 1185.63)(705.4902, 463.53) 1 703.4794 703.4794@12.969211 + 663.4457@12.974972 12.974972 (664.453, 1600.96)(665.4586, 666.65) 1 663.4457 663.4457@12.974972 + 368.3441@13.146235 13.146235 (369.35135, 13811.795)(370.35425, 3725.76)(371.35535, 586.21497) 2 368.3441 368.3441@13.146235 + 573.3766@13.24538 13.24538 (574.38385, 3801.2957)(575.3865, 1149.3895)(576.3922, 449.23712) 18 573.3766 573.3766@13.24538 + 577.4094@13.3097725 13.3097725 (578.41705, 3087.633)(579.42065, 1093.0355)(580.42303, 534.4733)(600.3987, 1315.505)(601.4056, 515.93) 18 577.4094 577.4094@13.3097725 + 432.3453@13.277726 13.277726 (433.35165, 674.4733)(415.341, 505.8)(450.37833, 2554.16)(451.3805, 702.01666)(455.33447, 13595.455)(456.3373, 3077.9)(457.3403, 600.555) 3 432.3453 432.3453@13.277726 + 755.5411@13.370096 13.370096 (756.5471, 1048.21)(757.56354, 407.745) 2 755.5411 755.5411@13.370096 + 573.3765@13.370742 13.370742 (574.38367, 4232.3774)(575.3871, 1341.7385)(576.3906, 474.89) 28 573.3765 573.3765@13.370742 + 299.282@13.303508 13.303508 (300.28928, 10775.6)(301.29282, 2007.8981)(302.2964, 451.81) 5 299.282 299.282@13.303508 + 821.5928@13.412839 13.412839 (822.5999, 2772.7773)(823.60284, 1524.3473)(824.58154, 989.23)(825.5915, 444.43) 7 821.5928 821.5928@13.412839 + 843.6435@13.410716 13.410716 (844.65155, 1484.584)(845.6546, 899.493)(846.6555, 827.23254)(847.6675, 1024.28)(848.6513, 2654.92) 10 843.6435 843.6435@13.410716 + 732.5092@13.309066 13.309066 (733.5176, 1324.185) 2 732.5092 732.5092@13.309066 + 710.4961@13.325815 13.325815 (711.5032, 1736.37)(712.507, 620.975) 4 710.4961 710.4961@13.325815 + 688.4827@13.340303 13.340303 (689.49, 2456.2449)(690.4933, 869.76) 4 688.4827 688.4827@13.340303 + 666.4706@13.358786 13.358786 (667.4774, 2863.384)(668.4808, 882.286) 5 666.4706 666.4706@13.358786 + 666.9715@13.360747 13.360747 (667.9785, 2201.24)(668.9845, 336.14) 2 666.9715 666.9715@13.360747 + 644.4574@13.375997 13.375997 (645.4645, 3409.386)(646.4679, 994.744) 5 644.4574 644.4574@13.375997 + 622.9462@13.393293 13.393293 (623.9533, 2468.2124) 4 622.9462 622.9462@13.393293 + 622.4437@13.393588 13.393588 (623.45135, 3666.78)(624.45447, 1026.306) 5 622.4437 622.4437@13.393588 + 600.9323@13.413538 13.413538 (601.93964, 2399.5674)(602.9434, 365.05) 4 600.9323 600.9323@13.413538 + 358.3083@13.425196 13.425196 (739.6044, 4824.9526)(740.608, 2129.8723)(741.6226, 831.9425)(359.31577, 45098.496)(360.3189, 8692.101)(361.3217, 1238.4)(341.30457, 5787.088)(342.30823, 1257.94)(376.34103, 2860.9126)(377.34445, 677.00244)(381.2974, 29630.607)(382.30066, 5876.972)(383.3038, 901.4275) 4 358.3083 358.3083@13.425196 + 578.418@13.436992 13.436992 (579.42523, 4384.567)(580.4286, 1036.2467) 6 578.418 578.418@13.436992 + 578.9191@13.443569 13.443569 (579.92694, 3258.2634)(580.9302, 428.53) 3 578.9191 578.9191@13.443569 + 556.9085@13.450663 13.450663 (557.9149, 2460.9) 2 556.9085 556.9085@13.450663 + 556.4058@13.450931 13.450931 (557.412, 3765.168)(558.416, 812.34406) 5 556.4058 556.4058@13.450931 + 534.8935@13.470498 13.470498 (535.9008, 2247.74) 1 534.8935 534.8935@13.470498 + 534.392@13.47494 13.47494 (535.3992, 3995.0652)(536.40265, 870.92505) 6 534.392 534.392@13.47494 + 512.3792@13.593874 13.593874 (513.3863, 3581.568)(514.3886, 748.40216) 21 512.3792 512.3792@13.593874 + 963.7052@13.621123 13.621123 (964.71204, 3035.0713)(965.7161, 1536.4089)(966.7191, 1227.34) 9 963.7052 963.7052@13.621123 + 919.6784@13.527055 13.527055 (920.6858, 1219.1733)(921.6893, 651.69) 3 919.6784 919.6784@13.527055 + 497.2812@13.545077 13.545077 (498.28812, 6231.112)(499.2914, 1746.5052)(500.28925, 646.314)(480.27823, 4226.678)(481.2814, 1226.63)(482.27975, 490.69) 6 497.2812 497.2812@13.545077 + 737.5258@13.538614 13.538614 (738.5334, 802.444)(755.5591, 2396.4497)(756.5617, 1239.812)(757.5661, 476.42) 5 737.5258 737.5258@13.538614 + 741.6291@13.544915 13.544915 (742.6365, 23526.69)(743.63934, 9149.298)(744.64056, 2241.2383)(745.6375, 346.722) 6 741.6291 741.6291@13.544915 + 340.2976@13.54539 13.54539 (341.30484, 7399.9414)(342.30826, 1695.4017) 6 340.2976 340.2976@13.54539 + 421.3176@13.557415 13.557415 (422.3244, 1526.175)(423.32745, 387.965) 2 421.3176 421.3176@13.557415 + 284.2714@13.545231 13.545231 (285.2787, 847.305)(267.2681, 9799.84)(268.27155, 1741.6383) 6 284.2714 284.2714@13.545231 + 396.2645@13.547701 13.547701 (397.27142, 9402.578)(398.2747, 1975.5957)(399.27213, 1001.69165) 7 396.2645 396.2645@13.547701 + 746.5851@13.560473 13.560473 (747.5924, 17139.652)(748.59406, 6723.628)(749.598, 1946.64)(750.6003, 308.73285) 10 746.5851 746.5851@13.560473 + 875.6535@13.564613 13.564613 (876.6604, 1583.7599)(877.6636, 812.00336) 3 875.6535 875.6535@13.564613 + 584.2629@13.584586 13.584586 (585.26996, 9841.245)(586.273, 3310.9988)(587.2755, 800.102)(607.2519, 1734.9899)(608.25555, 734.202) 6 584.2629 584.2629@13.584586 + 510.3521@13.6156645 13.6156645 (511.35934, 1192.6333)(512.3627, 453.1) 3 510.3521 510.3521@13.6156645 + 743.5745@13.622649 13.622649 (744.5826, 1502.32)(745.586, 641.8983)(746.5908, 462.84335) 6 743.5745 743.5745@13.622649 + 620.3031@13.648926 13.648926 (621.3098, 5034.4297)(622.31396, 1650.025)(638.33655, 6285.855)(639.34, 2180.08)(640.3425, 506.125)(643.2923, 1916.885)(644.296, 721.885) 2 620.3031 620.3031@13.648926 + 678.355@13.743907 13.743907 (679.3628, 10079.585)(680.3656, 3682.2847)(681.3655, 913.799) 10 678.355 678.355@13.743907 + 655.5224@13.681101 13.681101 (656.52936, 1186.31)(657.53326, 475.75) 2 655.5224 655.5224@13.681101 + 412.2585@13.926326 13.926326 (413.26572, 4915.8936)(414.26923, 1273.032) 5 412.2585 412.2585@13.926326 + 510.3202@13.900891 13.900891 (511.32727, 1514.4818)(512.3311, 524.4633) 6 510.3202 510.3202@13.900891 + 390.2771@13.864483 13.864483 (391.2844, 41347.27)(392.28735, 9208.083)(393.292, 1712.6552)(413.26596, 7221.59)(414.26913, 1841.5101) 6 390.2771 390.2771@13.864483 + 370.3079@13.895154 13.895154 (371.31522, 3662.5203)(372.3185, 919.26337)(373.3263, 531.32)(388.34134, 1062.9867) 6 370.3079 370.3079@13.895154 + 790.551@13.9718075 13.9718075 (791.5582, 1481.2361)(792.5623, 659.64) 5 790.551 790.551@13.9718075 + 933.6322@13.980204 13.980204 (934.63916, 2504.97)(935.6426, 1547.7461)(936.6454, 599.135) 5 933.6322 933.6322@13.980204 + 954.5603@13.980465 13.980465 (955.5673, 1559.37)(956.571, 946.4267)(957.5715, 477.948) 6 954.5603 954.5603@13.980465 + 938.5859@13.980202 13.980202 (939.59326, 2728.3298)(940.5973, 1628.996)(941.6002, 538.602) 5 938.5859 938.5859@13.980202 + 974.6557@13.980302 13.980302 (975.6639, 1956.1884)(976.66846, 1233.53)(977.6712, 455.02203) 6 974.6557 974.6557@13.980302 + 768.5382@13.982361 13.982361 (769.5455, 1836.1832)(770.5496, 776.25336) 6 768.5382 768.5382@13.982361 + 769.0397@13.982522 13.982522 (770.0469, 1583.7916)(771.0494, 542.87) 6 769.0397 769.0397@13.982522 + 747.0259@13.993954 13.993954 (748.03345, 2067.0166)(749.0366, 624.38) 6 747.0259 747.0259@13.993954 + 746.5246@13.994428 13.994428 (747.5325, 2459.545)(748.5364, 972.82495) 6 746.5246 746.5246@13.994428 + 725.0133@14.008404 14.008404 (726.02026, 2546.6768)(727.0248, 613.995) 6 725.0133 725.0133@14.008404 + 724.512@14.00888 14.00888 (725.51935, 3271.28)(726.5223, 1200.4216) 6 724.512 724.512@14.00888 + 702.4992@14.025548 14.025548 (703.5066, 3871.8682)(704.50946, 1344.1117) 6 702.4992 702.4992@14.025548 + 703.0005@14.026024 14.026024 (704.0076, 3073.5417)(705.01086, 556.6825) 6 703.0005 703.0005@14.026024 + 680.4857@14.043804 14.043804 (681.493, 4620.0884)(682.4966, 1537.25) 6 680.4857 680.4857@14.043804 + 680.9872@14.043008 14.043008 (681.99493, 3421.6133)(682.9983, 538.264) 6 680.9872 680.9872@14.043008 + 658.9745@14.063641 14.063641 (659.98145, 3704.1633)(660.98425, 550.598) 6 658.9745 658.9745@14.063641 + 658.4732@14.063007 14.063007 (659.47986, 5212.4917)(660.4829, 1577.1884) 6 658.4732 658.4732@14.063007 + 701.205@14.081648 14.081648 (702.2126, 1363.97)(703.2128, 894.78424)(704.21155, 713.64856) 7 701.205 701.205@14.081648 + 636.9612@14.083474 14.083474 (637.9687, 3896.3936)(638.9714, 531.67334) 6 636.9612 636.9612@14.083474 + 636.4596@14.083476 14.083476 (637.467, 5604.68)(638.47, 1623.0751) 6 636.4596 636.4596@14.083476 + 614.447@14.105687 14.105687 (615.45435, 5484.832)(616.4572, 1508.1283) 6 614.447 614.447@14.105687 + 614.9488@14.10537 14.10537 (615.9559, 3682.8567)(616.9594, 557.33997) 6 614.9488 614.9488@14.10537 + 337.3345@14.124156 14.124156 (675.6761, 33616.496)(676.6793, 14466.983)(677.68225, 2938.2786)(678.6853, 1099.1)(697.6569, 1298.5385)(698.6599, 752.262)(338.34183, 49058.76)(339.34482, 9900.656)(340.34805, 1135.0144)(360.32355, 12871.427)(361.3267, 2812.017)(362.3322, 607.925) 7 337.3345 337.3345@14.124156 + 395.387@14.12552 14.12552 (396.3942, 3035.8743)(397.39813, 870.51715) 7 395.387 395.387@14.12552 + 457.3772@14.195944 14.195944 (458.38483, 1856.449)(459.38733, 584.1011) 18 457.3772 457.3772@14.195944 + 592.9355@14.138051 14.138051 (593.9427, 3367.3599)(594.9461, 458.74) 7 592.9355 592.9355@14.138051 + 592.4339@14.130275 14.130275 (593.4409, 4954.78)(594.44446, 1264.765) 6 592.4339 592.4339@14.130275 + 570.4207@14.16284 14.16284 (571.42786, 4692.5273)(572.4311, 1126.1185) 7 570.4207 570.4207@14.16284 + 570.9227@14.163109 14.163109 (571.9296, 2990.1897)(572.9324, 440.20502) 7 570.9227 570.9227@14.163109 + 548.9088@14.187352 14.187352 (549.91614, 2631.533)(550.921, 459.48) 7 548.9088 548.9088@14.187352 + 548.4081@14.188165 14.188165 (549.41516, 4022.3284)(550.41833, 917.96716) 7 548.4081 548.4081@14.188165 + 526.3944@14.214303 14.214303 (527.40186, 3284.6682)(528.40466, 706.4286) 7 526.3944 526.3944@14.214303 + 526.8963@14.213763 14.213763 (527.9033, 1898.6101) 7 526.8963 526.8963@14.213763 + 504.3814@14.24126 14.24126 (505.38913, 2225.8372)(506.39227, 549.78204) 7 504.3814 504.3814@14.24126 + 947.7092@14.274869 14.274869 (948.7167, 1363.2961)(949.7204, 766.01794)(950.7221, 356.32) 5 947.7092 947.7092@14.274869 + 386.3392@14.270929 14.270929 (387.34616, 1143.7001)(388.34885, 450.39)(404.3727, 1931.5842)(405.375, 566.5)(409.32867, 4602.8945)(410.3317, 1143.33) 7 386.3392 386.3392@14.270929 + 903.6847@14.304436 14.304436 (904.6918, 1443.106)(905.6947, 773.988) 5 903.6847 903.6847@14.304436 + 622.4946@14.343715 14.343715 (623.5019, 1266.6749)(624.50494, 578.60834) 6 622.4946 622.4946@14.343715 + 859.6572@14.330064 14.330064 (860.66376, 1357.09)(861.66754, 684.0967) 6 859.6572 859.6572@14.330064 + 598.4955@14.672067 14.672067 (599.503, 13313.085)(600.5061, 5204.536)(601.5086, 1144.0775)(602.5113, 126.96) 8 598.4955 598.4955@14.672067 + 858.5246@14.672425 14.672425 (859.532, 4344.4854)(860.53516, 2098.83)(861.53894, 697.33575)(876.5574, 1208.14)(877.5624, 649.745)(878.566, 508.38)(881.5141, 1076.8842)(882.51715, 562.9557) 8 858.5246 858.5246@14.672425 + 624.5112@14.676941 14.676941 (625.5181, 3456.0273)(626.52136, 1513.7787)(627.5244, 506.62997) 8 624.5112 624.5112@14.676941 + 853.5614@14.740476 14.740476 (854.5683, 7925.2383)(855.5715, 4198.8784)(856.57513, 1278.3134)(857.57837, 122.655)(876.5535, 1215.4266)(877.557, 705.555) 6 853.5614 853.5614@14.740476 + 834.5293@15.04974 15.04974 (835.53564, 1659.6726)(836.5454, 822.3225)(852.56396, 339.8)(857.5179, 676.7967) 4 834.5293 834.5293@15.04974 + 914.7327@15.516257 15.516257 (915.7397, 4672.634)(916.7429, 2860.0369)(917.7458, 947.3122)(918.7506, 148.67) 9 914.7327 914.7327@15.516257 + 468.3575@15.516575 15.516575 (469.3646, 5374.469)(470.3679, 1638.9457)(471.37094, 359.276) 9 468.3575 468.3575@15.516575 + 827.5431@15.661753 15.661753 (828.5503, 3329.255)(829.55347, 1646.4651) 2 827.5431 827.5431@15.661753 + 908.5382@15.826939 15.826939 (909.54517, 1235.65)(910.54834, 661.225) 2 908.5382 908.5382@15.826939 + 837.599@15.992664 15.992664 (838.6064, 2391.4744)(839.6096, 1300.4884)(840.61487, 427.19598) 12 837.599 837.599@15.992664 + 763.5169@16.04511 16.04511 (764.5244, 12189.973)(765.5273, 5561.185)(766.5321, 1400.24)(767.5385, 80.33667) 4 763.5169 763.5169@16.04511 + 576.5105@16.079407 16.079407 (577.5178, 1293.2)(578.5217, 522.53) 1 576.5105 576.5105@16.079407 + 697.4913@16.19856 16.19856 (698.4984, 2494.312)(699.5016, 1116.554)(700.50354, 384.835) 5 697.4913 697.4913@16.19856 + 602.527@16.295624 16.295624 (603.53406, 5567.9272)(604.5375, 2377.0874)(605.54016, 558.96497) 4 602.527 602.527@16.295624 + 739.5193@16.75774 16.75774 (740.52734, 2857.4524)(741.531, 1555.5967)(742.5339, 565.23) 4 739.5193 739.5193@16.75774 + 747.5198@16.775074 16.775074 (748.5272, 5429.003)(749.5302, 2559.6562)(750.53394, 619.7075) 8 747.5198 747.5198@16.775074 + 370.2506@16.802004 16.802004 (371.2578, 1607.98)(372.26083, 448.7667) 3 370.2506 370.2506@16.802004 + 1191.7916@16.867788 16.867788 (1192.7988, 1390.4701)(1193.8022, 1097.7383) 6 1191.7916 1191.7916@16.867788 + 1193.8087@16.951769 16.951769 (1194.8151, 5867.796)(1195.819, 4669.244)(1196.8218, 1893.0211)(1197.8252, 424.86624) 8 1193.8087 1193.8087@16.951769 + 743.5465@16.998278 16.998278 (744.5537, 11789.305)(745.5568, 4944.8203)(746.56445, 1157.78) 4 743.5465 743.5465@16.998278 + 841.6291@17.780397 17.780397 (842.63684, 1474.235)(843.641, 1053.2949)(844.6446, 434.02) 2 841.6291 841.6291@17.780397 + 815.6163@17.790438 17.790438 (816.6236, 13800.8)(817.6261, 6086.16)(818.6213, 2026.76)(819.6191, 429.58) 1 815.6163 815.6163@17.790438 + 368.3444@17.80121 17.80121 (369.35168, 7410.8164)(370.35498, 2186.63)(371.3574, 424.845) 3 368.3444 368.3444@17.80121 + 195.8576@0.8681544 0.8681544 (196.86487, 2704.6938) 21 195.8576 195.8576@0.8681544 + 144.0421@0.91630405 0.91630405 (145.04938, 36570.836)(146.05278, 2192.257)(127.0386, 8248.866)(128.03914, 684.34814)(162.07593, 695.9133) 44 144.0421 144.0421@0.91630405 + 390.0943@0.91767293 0.91767293 (391.1018, 19017.254)(392.1056, 2698.97)(413.08337, 921.58496) 5 390.0943 390.0943@0.91767293 + 164.0062@0.91959566 0.91959566 (165.01328, 1272.1799) 15 164.0062 164.0062@0.91959566 + 319.9589@0.9219395 0.9219395 (320.96613, 1034.176) 5 319.9589 319.9589@0.9219395 + 507.172@0.9256198 0.9256198 (508.17953, 1818.22)(509.1829, 775.58) 8 507.172 507.172@0.9256198 + 319.1241@0.93241537 0.93241537 (320.13098, 1513.605) 4 319.1241 319.1241@0.93241537 + 222.0854@0.93328995 0.93328995 (223.09296, 1355.6957)(245.07463, 993.53503) 9 222.0854 222.0854@0.93328995 + 87.069@0.9971224 0.9971224 (88.07594, 6138.06)(89.0781, 174.94)(70.0658, 30358.74)(71.0689, 1454.17) 2 87.069 87.069@0.9971224 + 243.0717@1.022439 1.022439 (244.07837, 1222.8201) 7 243.0717 243.0717@1.022439 + 139.0608@0.9618891 0.9618891 (140.06802, 41914.03)(141.07092, 2128.4712)(142.0711, 461.77) 46 139.0608 139.0608@0.9618891 + 366.1125@1.0300282 1.0300282 (367.12012, 1381.4175) 16 366.1125 366.1125@1.0300282 + 260.0867@1.244828 1.244828 (261.09402, 1939.0953)(262.0969, 584.67) 25 260.0867 260.0867@1.244828 + 242.0755@1.3492749 1.3492749 (243.0834, 1557.51) 2 242.0755 242.0755@1.3492749 + 85.0893@2.105684 2.105684 (86.09663, 29093.227)(87.0997, 1564.72) 4 85.0893 85.0893@2.105684 + 203.061@3.1941772 3.1941772 (204.071, 751.35)(221.09416, 1479.665) 4 203.061 203.061@3.1941772 + 567.2153@3.3670254 3.3670254 (568.2224, 1285.4777) 9 567.2153 567.2153@3.3670254 + 190.0738@3.5123858 3.5123858 (191.08115, 7198.1426)(192.08429, 1188.7167) 8 190.0738 190.0738@3.5123858 + C8 H18 O5 3.6523814 [ C8 H18 O5, mfg=84.90, overall=84.90 ] (195.12213, 7561.599)(196.12546, 786.99243)(212.14833, 581.0267)(217.10333, 394.23337) 47 194.1149 C8 H18 O5 + 224.0654@3.6609497 3.6609497 (225.07275, 2254.022)(226.0761, 471.78) 5 224.0654 224.0654@3.6609497 + 303.1678@4.0278935 4.0278935 (304.17477, 1953.6416) 6 303.1678 303.1678@4.0278935 + C31 H N O4 S3 5.037605 [ C31 H N O4 S3, mfg=47.62, overall=47.62 ] (1094.8182, 504.66)(547.91406, 4228.931) 28 546.9066 C31 H N O4 S3 + Trp Tyr Tyr 5.0374207 Trp Tyr Tyr [ C29 H30 N4 O6, mfg=41.01, db=40.75, overall=40.88, METLIN ID=17331 ] (548.2484, 2185.5408) 23 547.2408 Trp Tyr Tyr + 193.0588@5.146632 5.146632 (194.06601, 1782.6699) 5 193.0588 193.0588@5.146632 + C9 Cl3 O 5.1450286 [ C9 Cl3 O, mfg=47.21, overall=23.61 ] (480.7926, 15942.821)(481.7962, 1316.7701)(482.79004, 16970.756)(483.79297, 1296.7317)(484.7879, 5015.248)(485.79, 453.655) 12 479.7855 C9 Cl3 O + 210.1361@5.3440533 5.3440533 (211.14348, 1302.565) 6 210.1361 210.1361@5.3440533 + 315.2039@5.7160172 5.7160172 (316.21118, 2041.295)(317.214, 475.05) 2 315.2039 315.2039@5.7160172 + 126.1041@5.8352375 5.8352375 (127.1113, 1286.7063) 8 126.1041 126.1041@5.8352375 + 154.0986@5.8596735 5.8596735 (155.10605, 2796.9102)(156.10938, 517.77405) 28 154.0986 154.0986@5.8596735 + 976.2293@6.0652714 6.0652714 (977.23816, 1239.6826) 19 976.2293 976.2293@6.0652714 + 976.4815@6.0647287 6.0647287 (977.4893, 1311.6959) 19 976.4815 976.4815@6.0647287 + 780.9846@6.066651 6.066651 (781.9928, 1373.5765) 20 780.9846 780.9846@6.066651 + 298.1407@6.074962 6.074962 (299.14825, 1024.4736)(321.1302, 2125.874)(322.13333, 447.89307) 40 298.1407 298.1407@6.074962 + 298.1409@6.1425576 6.1425576 (299.1483, 553.136)(321.13037, 1465.123) 10 298.1409 298.1409@6.1425576 + 230.0983@6.1936927 6.1936927 (483.1844, 32855.47)(484.18726, 7060.83)(485.18298, 3435.165)(486.1858, 625.365)(231.105, 242890.5)(232.10796, 39428.984)(233.10245, 14661.963)(234.10515, 2853.55)(253.08676, 9054.237)(254.08939, 2015.77)(255.0845, 824.19495) 6 230.0983 230.0983@6.1936927 + 166.0993@6.193191 6.193191 (167.10634, 48042.445)(168.11, 8344.73)(169.112, 744.36) 4 166.0993 166.0993@6.193191 + 532.3172@6.4760013 6.4760013 (533.3245, 3552.14)(534.3284, 1160.88) 1 532.3172 532.3172@6.4760013 + 143.1668@6.9248853 6.9248853 (144.1743, 1204.475) 2 143.1668 143.1668@6.9248853 + 98.0729@6.9445505 6.9445505 (99.080246, 1812.4373)(100.078606, 441.00668)(81.07012, 545.8225) 19 98.0729 98.0729@6.9445505 + 240.1716@7.190039 7.190039 (241.17915, 1726.8944)(242.182, 425.14)(223.16821, 757.8125) 14 240.1716 240.1716@7.190039 + 280.1644@7.1864977 7.1864977 (281.1717, 1110.54) 2 280.1644 280.1644@7.1864977 + 348.2297@7.2168794 7.2168794 (349.23666, 2153.0676)(350.23972, 603.1431) 19 348.2297 348.2297@7.2168794 + 287.2092@7.310017 7.310017 (288.21634, 2958.212)(289.21933, 629.88196) 18 287.2092 287.2092@7.310017 + 215.1878@7.37629 7.37629 (216.19524, 3060.1958)(217.19836, 550.765)(198.18437, 720.5843)(238.17714, 1739.0706) 13 215.1878 215.1878@7.37629 + 313.2245@7.68796 7.68796 (314.23206, 2474.3262)(315.23566, 573.29376) 13 313.2245 313.2245@7.68796 + 265.1787@7.699335 7.699335 (266.1857, 1333.575) 4 265.1787 265.1787@7.699335 + 1090.7719@8.007773 8.007773 (1091.7786, 2001.8634) 22 1090.7719 1090.7719@8.007773 + 872.4163@8.022181 8.022181 (873.4246, 2148.7935)(874.41614, 459.825) 37 872.4163 872.4163@8.022181 + 213.1722@8.021281 8.021281 (214.17952, 1996.5985)(215.18262, 428.99)(236.1616, 502.17) 12 213.1722 213.1722@8.021281 + 357.2507@8.247683 8.247683 (358.2578, 1254.0125) 4 357.2507 357.2507@8.247683 + 353.2562@8.460838 8.460838 (354.26343, 1186.0625)(355.2663, 360.3) 4 353.2562 353.2562@8.460838 + 383.2665@8.724603 8.724603 (384.27423, 1214.7081) 5 383.2665 383.2665@8.724603 + 587.422@8.815866 8.815866 (588.4293, 1687.75)(589.4318, 610.21) 1 587.422 587.422@8.815866 + 543.3964@8.836821 8.836821 (544.4037, 2029.7)(545.4071, 813.36) 1 543.3964 543.3964@8.836821 + 319.235@9.058064 9.058064 (320.24252, 2112.7476)(321.24548, 471.04108) 40 319.235 319.235@9.058064 + 430.2678@9.063301 9.063301 (431.2751, 1181.86)(432.2794, 388.28) 1 430.2678 430.2678@9.063301 + 385.2816@9.31514 9.31514 (386.28934, 1638.9974)(387.29282, 488.688) 12 385.2816 385.2816@9.31514 + 356.1668@9.322923 9.322923 (713.3373, 2133.125)(714.34015, 868.01)(715.3379, 405.985)(735.3202, 18586.92)(736.32306, 6692.06)(737.3208, 2952.675)(738.3222, 721.525)(357.1731, 258079.61)(358.17578, 47192.64)(359.17325, 20252.62)(360.17465, 5692.2197)(361.17584, 705.605)(379.1547, 10249.015)(380.1576, 3583.85)(381.1548, 1218.37) 6 356.1668 356.1668@9.322923 + 645.4626@9.355565 9.355565 (646.4699, 1637.44)(647.4733, 587.37) 1 645.4626 645.4626@9.355565 + 601.4381@9.405433 9.405433 (602.4454, 2121.69)(603.4481, 820.48) 1 601.4381 601.4381@9.405433 + 557.4121@9.463275 9.463275 (558.4194, 2025.55)(559.4219, 704.72) 1 557.4121 557.4121@9.463275 + 659.4795@9.935874 9.935874 (660.4868, 1548.96)(661.49, 579.42) 1 659.4795 659.4795@9.935874 + 615.4538@10.023591 10.023591 (616.4611, 1781.81)(617.4629, 680.7) 1 615.4538 615.4538@10.023591 + 761.5456@10.360431 10.360431 (762.5528, 1061.21)(763.5573, 453.52) 1 761.5456 761.5456@10.360431 + 352.2013@10.370759 10.370759 (353.20844, 1864.5546)(354.2117, 422.39975) 52 352.2013 352.2013@10.370759 + 627.1743@10.403857 10.403857 (628.1817, 1777.7849)(629.1856, 559.39166) 8 627.1743 627.1743@10.403857 + 717.5214@10.449107 10.449107 (718.5287, 1161.59)(719.5314, 504.23) 1 717.5214 717.5214@10.449107 + 150.089@10.449075 10.449075 (151.09604, 2193.6572) 30 150.089 150.089@10.449075 + 134.109@10.476231 10.476231 (135.11635, 3001.541)(136.11966, 465.66803) 21 134.109 134.109@10.476231 + 352.201@10.453249 10.453249 (353.2085, 1805.2712)(354.21204, 419.01605) 47 352.201 352.201@10.453249 + 436.1857@10.56032 10.56032 (437.19293, 3123.62)(438.1955, 854.11) 5 436.1857 436.1857@10.56032 + 416.3241@10.528988 10.528988 (417.33136, 1216.2109)(418.33487, 416.0983) 22 416.3241 416.3241@10.528988 + 673.4947@10.549024 10.549024 (674.5031, 1232.925)(675.50574, 469.17) 2 673.4947 673.4947@10.549024 + 414.2036@10.603903 10.603903 (851.3954, 2101.4373)(852.39856, 1162.0385)(853.40204, 536.52997)(415.21085, 2418.4043)(416.2146, 964.69885)(417.2147, 458.34)(432.23953, 547.32245)(437.19287, 3491.1091)(438.19614, 920.1469) 29 414.2036 414.2036@10.603903 + 347.3182@10.618912 10.618912 (348.32574, 4340.48)(349.32867, 1217.095) 2 347.3182 347.3182@10.618912 + 448.9041@10.867464 10.867464 (449.9114, 1985.53) 1 448.9041 448.9041@10.867464 + 429.8807@10.86846 10.86846 (430.8881, 7750.0)(431.8905, 711.89)(432.8849, 6016.88)(433.8868, 606.94)(434.8818, 2443.66)(447.9141, 2681.2)(452.8706, 737.74) 1 429.8807 429.8807@10.86846 + 427.8832@10.86846 10.86846 (428.8908, 3982.58)(445.9162, 1496.11) 1 427.8832 427.8832@10.86846 + 345.303@10.880688 10.880688 (346.3103, 18173.375)(347.31366, 4173.41)(348.3191, 423.41) 2 345.303 345.303@10.880688 + 258.1828@10.9850235 10.9850235 (259.18988, 1320.3783)(281.17188, 2823.7341)(282.175, 491.84387) 19 258.1828 258.1828@10.9850235 + 605.287@11.006238 11.006238 (606.2944, 1186.3129)(607.29736, 410.8037) 29 605.287 605.287@11.006238 + 731.5374@11.045707 11.045707 (732.5447, 1046.15)(733.5464, 438.41) 1 731.5374 731.5374@11.045707 + 276.2295@11.10588 11.10588 (277.2368, 988.3681)(294.26343, 1632.2382)(295.26654, 451.24) 54 276.2295 276.2295@11.10588 + 1065.6263@11.1189 11.1189 (1066.6377, 2230.2722)(1067.6366, 818.3652) 49 1065.6263 1065.6263@11.1189 + 622.4314@11.118315 11.118315 (623.43854, 1226.3877)(624.4413, 457.3974) 46 622.4314 622.4314@11.118315 + 565.3135@11.187101 11.187101 (566.32086, 1484.0874)(567.32446, 496.115) 22 565.3135 565.3135@11.187101 + 303.2924@11.297476 11.297476 (304.29935, 9613.904)(305.30252, 2050.9985)(306.306, 527.22) 7 303.2924 303.2924@11.297476 + 345.303@11.318479 11.318479 (346.3103, 5813.11)(347.3133, 1671.22) 1 345.303 345.303@11.318479 + 397.3184@11.339539 11.339539 (398.3259, 5412.195)(399.3292, 1302.9354)(400.3312, 531.6475) 22 397.3184 397.3184@11.339539 + 593.4208@11.461798 11.461798 (594.428, 1274.78) 1 593.4208 593.4208@11.461798 + 593.9231@11.471749 11.471749 (594.9304, 1004.57) 1 593.9231 593.9231@11.471749 + 447.3342@11.576654 11.576654 (448.3417, 2018.9514)(449.34473, 680.5909) 14 447.3342 447.3342@11.576654 + 375.3495@11.663798 11.663798 (376.3567, 3666.68)(377.3597, 1124.87) 1 375.3495 375.3495@11.663798 + 302.2243@11.671547 11.671547 (303.23148, 11874.072)(304.2351, 2316.3633)(305.2388, 617.73)(320.2577, 715.8367) 9 302.2243 302.2243@11.671547 + 342.1462@11.70094 11.70094 (343.1534, 1198.8383)(360.18033, 881.22876)(365.1355, 1172.0045)(366.1387, 390.15) 33 342.1462 342.1462@11.70094 + 331.3241@11.739592 11.739592 (332.33118, 33055.29)(333.33417, 7101.08)(334.3373, 1567.64) 2 331.3241 331.3241@11.739592 + 398.243@11.776636 11.776636 (399.25018, 4394.7065)(400.25415, 867.1971)(421.2316, 650.26337) 11 398.243 398.243@11.776636 + 559.303@11.792218 11.792218 (560.3103, 1089.71)(561.31354, 384.07217) 22 559.303 559.303@11.792218 + 579.4003@11.777779 11.777779 (580.40735, 1750.1653)(581.4102, 586.98145) 43 579.4003 579.4003@11.777779 + 312.1358@11.797377 11.797377 (313.14304, 2474.338)(314.14615, 572.471)(335.12476, 969.4692)(336.1282, 387.83) 28 312.1358 312.1358@11.797377 + 375.3487@11.802085 11.802085 (376.356, 2889.6)(377.3602, 912.73) 1 375.3487 375.3487@11.802085 + 373.3339@11.822066 11.822066 (374.34106, 9913.319)(375.34473, 2690.2751) 2 373.3339 373.3339@11.822066 + 478.2532@11.851376 11.851376 (479.2609, 2070.9963)(480.2655, 578.9139) 35 478.2532 478.2532@11.851376 + 389.3126@11.828944 11.828944 (390.3199, 1262.67) 1 389.3126 389.3126@11.828944 + 600.9299@11.833919 11.833919 (601.9372, 1339.65) 1 600.9299 600.9299@11.833919 + 673.4739@11.916479 11.916479 (674.4811, 1100.01) 1 673.4739 673.4739@11.916479 + 578.9156@11.920457 11.920457 (579.9229, 1062.41) 1 578.9156 578.9156@11.920457 + 204.0782@11.954158 11.954158 (205.08557, 2690.9128)(206.08882, 545.402) 19 204.0782 204.0782@11.954158 + 651.4615@11.989085 11.989085 (652.4688, 1626.74) 1 651.4615 651.4615@11.989085 + 651.9624@11.996047 11.996047 (652.9697, 1217.28) 1 651.9624 651.9624@11.996047 + 556.3994@12.033839 12.033839 (557.4067, 1177.47) 1 556.3994 556.3994@12.033839 + 296.2349@12.063674 12.063674 (297.2427, 1339.57)(319.2237, 1235.8) 1 296.2349 296.2349@12.063674 + 629.4488@12.066657 12.066657 (630.456, 1843.62) 1 629.4488 629.4488@12.066657 + 629.9504@12.068646 12.068646 (630.9577, 1264.04) 1 629.9504 629.9504@12.068646 + 607.4334@12.146211 12.146211 (608.4407, 1721.31)(609.4256, 368.63) 1 607.4334 607.4334@12.146211 + 607.9361@12.149193 12.149193 (608.9433, 1281.74) 1 607.9361 607.9361@12.149193 + 677.4685@12.174052 12.174052 (678.4758, 1511.77)(679.4802, 651.89) 1 677.4685 677.4685@12.174052 + 680.4806@12.202888 12.202888 (681.4879, 1634.87)(682.478, 747.52) 1 680.4806 680.4806@12.202888 + 680.9827@12.203881 12.203881 (681.99, 1096.12) 1 680.9827 680.9827@12.203881 + 585.4185@12.248623 12.248623 (586.4258, 1299.81)(587.4129, 133.19) 1 585.4185 585.4185@12.248623 + 457.3397@12.237734 12.237734 (458.34723, 1376.4121)(459.3491, 484.38254) 5 457.3397 457.3397@12.237734 + 369.2872@12.258686 12.258686 (370.29462, 1209.062)(371.2981, 325.96) 5 369.2872 369.2872@12.258686 + 658.9707@12.275468 12.275468 (659.978, 1418.29) 1 658.9707 658.9707@12.275468 + 658.4688@12.282427 12.282427 (659.4761, 1721.76) 1 658.4688 658.4688@12.282427 + 283.323@12.28362 12.28362 (284.3305, 1401.545)(285.3335, 427.95) 2 283.323 283.323@12.28362 + 335.3179@12.323187 12.323187 (336.3252, 5583.29)(337.3286, 1395.79) 1 335.3179 335.3179@12.323187 + 411.3822@12.323187 12.323187 (412.3895, 1689.55)(413.3915, 522.18) 1 411.3822 411.3822@12.323187 + 636.9561@12.356988 12.356988 (637.9634, 1161.11) 1 636.9561 636.9561@12.356988 + 636.4545@12.35997 12.35997 (637.4618, 1722.56)(638.4516, 626.68) 1 636.4545 636.4545@12.35997 + 411.3813@12.375875 12.375875 (412.3886, 1395.58)(413.3912, 494.52) 1 411.3813 411.3813@12.375875 + 375.3161@12.375875 12.375875 (376.3234, 2365.97)(377.327, 647.16) 1 375.3161 375.3161@12.375875 + 335.3182@12.376869 12.376869 (336.3255, 5180.22)(337.328, 1316.51) 1 335.3182 335.3182@12.376869 + 709.5017@12.392775 12.392775 (710.509, 1421.53)(711.5048, 667.94) 1 709.5017 709.5017@12.392775 + 359.3552@12.399733 12.399733 (360.3625, 31173.5)(361.3654, 7242.6)(362.3684, 1014.14) 1 359.3552 359.3552@12.399733 + 335.3187@12.468089 12.468089 (336.3243, 7447.4478)(337.32843, 1974.58)(338.3326, 818.11) 5 335.3187 335.3187@12.468089 + 411.3817@12.479252 12.479252 (412.3889, 2977.92)(413.3922, 845.6) 1 411.3817 411.3817@12.479252 + 687.9901@12.482233 12.482233 (688.9973, 1168.1) 1 687.9901 687.9901@12.482233 + 687.4906@12.482233 12.482233 (688.4978, 1610.88)(689.498, 497.89) 1 687.4906 687.4906@12.482233 + 375.3118@12.484222 12.484222 (376.3191, 3142.36)(377.3231, 888.12) 1 375.3118 375.3118@12.484222 + 397.3566@12.503107 12.503107 (398.3639, 1192.78)(399.3677, 404.43) 1 397.3566 397.3566@12.503107 + 359.3556@12.519009 12.519009 (360.3629, 109108.96)(361.3657, 24042.17)(362.3685, 3047.68) 1 359.3556 359.3556@12.519009 + 738.5225@12.588577 12.588577 (739.5298, 1285.74) 1 738.5225 738.5225@12.588577 + 739.0254@12.589572 12.589572 (740.0327, 1106.79) 1 739.0254 739.0254@12.589572 + 335.3101@12.615116 12.615116 (336.31366, 1812.59)(337.3188, 632.61) 2 335.3101 335.3101@12.615116 + 351.3141@12.571733 12.571733 (352.32098, 59018.484)(353.3237, 11549.07)(354.3272, 2671.92)(374.30334, 12165.46)(375.3057, 2633.815)(376.3133, 834.17) 2 351.3141 351.3141@12.571733 + 389.2695@12.6313095 12.6313095 (390.2768, 1377.37)(391.2792, 574.21) 1 389.2695 389.2695@12.6313095 + 724.6081@12.637638 12.637638 (725.6154, 3263.71)(726.6185, 1511.76)(727.62354, 632.71497) 2 724.6081 724.6081@12.637638 + 717.0114@12.661121 12.661121 (718.0187, 1133.26) 1 717.0114 717.0114@12.661121 + 716.5093@12.669071 12.669071 (717.5166, 1448.23)(718.5127, 679.6) 1 716.5093 716.5093@12.669071 + 789.5645@12.689939 12.689939 (790.5718, 1282.88)(791.569, 601.36) 1 789.5645 789.5645@12.689939 + 359.3561@12.689159 12.689159 (360.36252, 84224.68)(361.36557, 19399.48)(362.3689, 5896.34)(363.372, 287.85) 3 359.3561 359.3561@12.689159 + 345.267@12.764495 12.764495 (346.27435, 16360.081)(347.2774, 3516.461)(348.28116, 856.151) 20 345.267 345.267@12.764495 + 389.3051@12.768434 12.768434 (390.3124, 1562.51)(391.3106, 442.68)(392.3105, 545.86) 1 389.3051 389.3051@12.768434 + 700.3093@12.846921 12.846921 (701.3166, 1162.03) 1 700.3093 700.3093@12.846921 + 745.532@12.847914 12.847914 (746.5392, 1170.18)(747.5342, 626.62) 1 745.532 745.532@12.847914 + 432.2195@12.899571 12.899571 (433.2267, 6278.33)(434.2303, 1955.19) 1 432.2195 432.2195@12.899571 + 353.3284@12.928968 12.928968 (354.33588, 3213.96)(355.3387, 1234.09)(376.31708, 1232.11)(377.31564, 391.635) 2 353.3284 353.3284@12.928968 + 399.3708@12.929373 12.929373 (400.378, 5957.17)(401.3821, 1571.61) 1 399.3708 399.3708@12.929373 + 302.2218@13.015598 13.015598 (303.22913, 4205.8745)(304.23743, 863.5933)(325.2096, 569.27) 9 302.2218 302.2218@13.015598 + 797.5538@13.009306 13.009306 (798.56, 637.31)(780.55194, 5499.4453)(781.5541, 2598.7148)(782.5665, 9327.425)(783.56946, 3717.475)(784.5792, 2263.87)(785.5873, 685.87) 2 797.5538 797.5538@13.009306 + 799.6097@13.007842 13.007842 (800.616, 1779.53)(801.6185, 709.67)(802.6207, 546.5)(822.6006, 1288.38)(823.6073, 667.84) 1 799.6097 799.6097@13.007842 + 374.2796@13.034659 13.034659 (375.2869, 2478.62) 1 374.2796 374.2796@13.034659 + 335.3186@13.040622 13.040622 (336.32574, 2040.1324)(337.3278, 680.18335) 4 335.3186 335.3186@13.040622 + 387.3862@13.056509 13.056509 (388.3934, 2073.19)(389.3962, 567.31) 1 387.3862 387.3862@13.056509 + 379.3449@13.128401 13.128401 (380.35114, 1423.255)(381.3536, 431.35)(402.3353, 790.94) 2 379.3449 379.3449@13.128401 + 387.3865@13.241168 13.241168 (388.3935, 20639.795)(389.3966, 5320.61)(390.3998, 1346.67) 2 387.3865 387.3865@13.241168 + 495.4131@13.2551155 13.2551155 (496.4203, 1806.04)(497.4221, 517.94) 1 495.4131 495.4131@13.2551155 + 451.3869@13.271994 13.271994 (452.3942, 1784.03)(453.3951, 516.51) 1 451.3869 451.3869@13.271994 + 779.5444@13.418148 13.418148 (780.55176, 5985.8813)(781.55524, 2561.351)(782.5666, 7512.0396)(783.57086, 3253.8174)(784.5811, 2650.0364)(785.58997, 967.15) 11 779.5444 779.5444@13.418148 + 807.5744@13.440671 13.440671 (808.5815, 13800.734)(809.58545, 5737.021)(810.597, 4919.7134)(811.6049, 1988.19) 12 807.5744 807.5744@13.440671 + 416.2248@13.409988 13.409988 (417.2321, 18485.24)(418.235, 5553.77)(419.2388, 962.46) 1 416.2248 416.2248@13.409988 + 454.3265@13.423197 13.423197 (455.3339, 3927.0493)(456.3374, 1087.6754)(457.33917, 432.48004) 40 454.3265 454.3265@13.423197 + 653.3244@13.42669 13.42669 (654.33093, 2691.831)(655.3343, 940.4812) 8 653.3244 653.3244@13.42669 + 757.5618@13.425466 13.425466 (758.5691, 12569.235)(759.57227, 5185.7344)(760.5838, 14684.279)(761.5872, 5568.421)(762.59076, 1416.1108)(763.59296, 290.24332)(775.5948, 488.36)(780.55133, 4769.097)(781.5547, 2224.84)(782.5664, 7514.3735)(783.5707, 3322.8208)(784.58105, 2289.9478)(785.5916, 1150.1034) 15 757.5618 757.5618@13.425466 + 793.577@13.452673 13.452673 (794.5843, 496.46)(795.5886, 366.01)(796.6004, 1541.95)(797.6068, 655.67) 1 793.577 793.577@13.452673 + 831.5758@13.4222975 13.4222975 (832.5812, 1473.225)(833.5936, 939.71)(834.5973, 1849.03)(835.6125, 1325.2)(836.6141, 882.51) 2 831.5758 831.5758@13.4222975 + 304.2375@13.424984 13.424984 (305.24475, 4161.772)(306.248, 885.945)(327.22623, 679.0683) 9 304.2375 304.2375@13.424984 + 785.5936@13.40199 13.40199 (786.601, 34991.957)(787.6042, 14258.245)(788.60913, 4488.604)(789.6137, 1044.7899)(790.6028, 254.4)(808.5821, 13328.822)(809.58575, 5651.157)(810.59644, 4335.478)(811.6042, 1919.3975) 10 785.5936 785.5936@13.40199 + 813.6566@13.45565 13.45565 (814.6638, 1188.16)(815.6597, 449.41) 1 813.6566 813.6566@13.45565 + 627.1865@13.638729 13.638729 (628.19366, 2123.7295)(629.19446, 1227.3086)(630.1927, 935.75073)(631.1908, 210.31) 32 627.1865 627.1865@13.638729 + 745.5873@13.701089 13.701089 (746.5942, 3756.2688) 35 745.5873 745.5873@13.701089 + 678.355@13.827367 13.827367 (679.3626, 3954.427)(680.36615, 1502.0171)(681.36554, 736.68427) 24 678.355 678.355@13.827367 + 412.2583@14.026387 14.026387 (413.26578, 5153.921)(414.2694, 1353.351) 12 412.2583 412.2583@14.026387 + 424.4027@14.262308 14.262308 (425.40952, 1150.76)(426.41196, 409.44003) 10 424.4027 424.4027@14.262308 + 408.321@14.448427 14.448427 (409.32834, 1978.2324)(410.33218, 612.61664) 8 408.321 408.321@14.448427 + 446.3393@15.767269 15.767269 (447.3466, 1765.29)(448.349, 656.29) 1 446.3393 446.3393@15.767269 + 504.392@15.777158 15.777158 (505.3993, 1140.88)(506.4016, 400.61) 1 504.392 504.392@15.777158 + 779.5465@16.405409 16.405409 (780.5536, 22879.11)(781.5566, 9634.366)(802.5352, 2015.8517)(803.5391, 1014.75336) 7 779.5465 779.5465@16.405409 + 738.5168@16.528395 16.528395 (739.5246, 1398.1832)(740.5291, 752.0733) 3 738.5168 738.5168@16.528395 + 493.5581@17.499119 17.499119 (494.5654, 2830.41)(495.5689, 1109.77) 1 493.5581 493.5581@17.499119 + 723.5194@18.23696 18.23696 (724.52673, 1222.804)(725.5297, 613.7125) 5 723.5194 723.5194@18.23696 + 609.1761@19.759052 19.759052 (610.1834, 1691.9573)(611.18396, 988.67944)(612.1822, 743.2554) 18 609.1761 609.1761@19.759052 + 199.8514@0.8677181 0.8677181 (200.8587, 1043.376) 5 199.8514 199.8514@0.8677181 + 311.7752@0.8680888 0.8680888 (312.78253, 1301.8319) 11 311.7752 311.7752@0.8680888 + 62.0371@0.9405858 0.9405858 (63.044346, 1113.8041) 18 62.0371 62.0371@0.9405858 + 244.067@0.94340724 0.94340724 (245.07414, 1209.7942) 7 244.067 244.067@0.94340724 + 125.0144@0.97009265 0.97009265 (126.02193, 1303.32) 4 125.0144 125.0144@0.97009265 + 159.0271@0.9972887 0.9972887 (160.03493, 4822.846)(161.03815, 465.952) 20 159.0271 159.0271@0.9972887 + 164.056@1.0310478 1.0310478 (165.0631, 1956.7097) 10 164.056 164.056@1.0310478 + 161.1209@1.2695881 1.2695881 (162.12802, 2916.9702) 9 161.1209 161.1209@1.2695881 + 104.0478@1.3268353 1.3268353 (105.05497, 1589.3033) 3 104.0478 104.0478@1.3268353 + 151.0473@1.3266397 1.3266397 (152.05463, 1514.6875) 4 151.0473 151.0473@1.3266397 + Ile Pro 1.3288687 Ile Pro [ C11 H20 N2 O3, mfg=58.98, db=58.96, overall=58.97, METLIN ID=23858 ] (229.15396, 1758.2373)(230.1584, 511.13) 32 228.1466 Ile Pro + 167.059@1.5708112 1.5708112 (168.06514, 799.8621)(150.05614, 1484.1973) 14 167.059 167.059@1.5708112 + 122.0476@2.0976157 2.0976157 (123.05486, 15965.125)(124.05744, 1095.8158)(125.0684, 332.94) 30 122.0476 122.0476@2.0976157 + 86.0923@2.1949952 2.1949952 (87.09958, 2081.6614) 8 86.0923 86.0923@2.1949952 + 333.151@3.4546952 3.4546952 (334.15823, 1383.5875) 4 333.151 333.151@3.4546952 + 343.2202@4.559847 4.559847 (344.22748, 9561.818)(345.23056, 1424.5416) 9 343.2202 343.2202@4.559847 + 130.1546@4.849223 4.849223 (131.1619, 3513.61) 1 130.1546 130.1546@4.849223 + 267.1679@5.0071874 5.0071874 (268.1754, 1074.93) 3 267.1679 267.1679@5.0071874 + 469.8007@5.369091 5.369091 (470.80856, 1416.7316) 6 469.8007 469.8007@5.369091 + 969.3528@8.032582 8.032582 (970.36005, 2493.4885)(971.356, 541.2778) 41 969.3528 969.3528@8.032582 + 1092.65@8.009176 8.009176 (1093.6571, 1329.4374)(1094.6566, 429.81998) 22 1092.65 1092.65@8.009176 + 969.1308@8.031068 8.031068 (970.1392, 1400.318)(971.13513, 646.7653)(972.142, 1313.3658)(973.13635, 352.07266) 34 969.1308 969.1308@8.031068 + 969.5744@8.010898 8.010898 (970.5813, 2722.8982) 31 969.5744 969.5744@8.010898 + 727.1809@8.015064 8.015064 (728.18677, 1137.8467) 3 727.1809 727.1809@8.015064 + Sarcoaldesterol A 8.010402 C19656 Sarcoaldesterol A [ C30 H52 O4, db=18.45, overall=18.45, KEGG ID=C19656, METLIN ID=73280 ] (970.8024, 1856.7183) 25 969.7953 Sarcoaldesterol A + 1093.023@8.009776 8.009776 (1094.0306, 1153.1606) 15 1093.023 1093.023@8.009776 + 793.3779@8.012427 8.012427 (794.3846, 1351.1837) 11 793.3779 793.3779@8.012427 + 1092.7751@8.010631 8.010631 (1093.7821, 1339.1223) 26 1092.7751 1092.7751@8.010631 + 793.0157@8.0114565 8.0114565 (794.0217, 1300.2844) 9 793.0157 793.0157@8.0114565 + 872.8164@8.036445 8.036445 (873.8222, 1493.3549)(874.8257, 390.8567)(875.8206, 600.49005) 33 872.8164 872.8164@8.036445 + 969.6847@8.009068 8.009068 (970.69183, 2395.1194) 29 969.6847 969.6847@8.009068 + 793.4676@8.0112705 8.0112705 (794.4737, 1174.2262)(795.4801, 322.63) 8 793.4676 793.4676@8.0112705 + 793.2868@8.010526 8.010526 (794.29443, 1644.6085) 23 793.2868 793.2868@8.010526 + 874.4183@8.010843 8.010843 (875.425, 1410.9789) 17 874.4183 874.4183@8.010843 + 973.5633@8.0920515 8.0920515 (974.5706, 1033.89) 3 973.5633 973.5633@8.0920515 + 792.0087@8.097274 8.097274 (793.0172, 1284.1849) 28 792.0087 792.0087@8.097274 + 967.1307@8.091761 8.091761 (968.13763, 1280.5753) 17 967.1307 967.1307@8.091761 + 162.0676@8.38895 8.38895 (163.07518, 1102.615) 4 162.0676 162.0676@8.38895 + 299.1916@8.988724 8.988724 (300.19907, 2976.406)(301.20193, 594.5983) 12 299.1916 299.1916@8.988724 + 582.2469@9.680547 9.680547 (583.25415, 1588.5349)(584.25653, 591.875) 2 582.2469 582.2469@9.680547 + 452.1597@10.049118 10.049118 (453.16724, 4152.5146)(454.17004, 1079.6699)(455.1677, 791.51) 2 452.1597 452.1597@10.049118 + 280.1308@10.113103 10.113103 (281.13812, 1465.2666)(282.1407, 432.54) 6 280.1308 280.1308@10.113103 + 850.3887@10.249136 10.249136 (851.3959, 1381.415)(852.3993, 699.59753) 4 850.3887 850.3887@10.249136 + 419.3229@10.624641 10.624641 (420.33002, 1571.1715)(421.333, 527.145) 7 419.3229 419.3229@10.624641 + 1012.6469@10.895255 10.895255 (1013.6538, 1099.72)(1014.65704, 608.5033) 3 1012.6469 1012.6469@10.895255 + 1158.4984@10.919818 10.919818 (1159.5059, 2317.7478)(1160.5084, 1570.1279)(1161.511, 598.04407)(1162.5186, 151.93) 5 1158.4984 1158.4984@10.919818 + 583.362@10.930441 10.930441 (584.36914, 1308.7825)(585.3722, 439.2375) 4 583.362 583.362@10.930441 + 1110.6606@11.008441 11.008441 (1111.6681, 1266.92)(1112.6708, 765.92334)(1113.6746, 357.4) 3 1110.6606 1110.6606@11.008441 + 1044.6158@11.046691 11.046691 (1045.6229, 2369.7625)(1046.6261, 1371.7424)(1047.6306, 593.93164) 8 1044.6158 1044.6158@11.046691 + 570.3511@11.140995 11.140995 (571.35815, 3187.36)(572.35956, 645.42334) 3 570.3511 570.3511@11.140995 + 567.3323@11.144295 11.144295 (568.3391, 12189.153)(569.3425, 3606.6147)(570.3538, 5385.687)(571.35736, 1602.4908)(572.3603, 312.345) 18 567.3323 567.3323@11.144295 + 481.3161@11.151405 11.151405 (482.32318, 1261.7461)(483.32593, 424.36) 5 481.3161 481.3161@11.151405 + 495.3316@11.250221 11.250221 (496.33887, 1773.2767)(497.3423, 541.8333) 3 495.3316 495.3316@11.250221 + 529.3127@11.304904 11.304904 (530.3205, 1379.39)(531.3247, 410.87332) 3 529.3127 529.3127@11.304904 + 493.3165@11.338456 11.338456 (494.3238, 1446.68)(495.3282, 352.72) 1 493.3165 493.3165@11.338456 + 1062.6594@11.471287 11.471287 (1063.6667, 1444.8)(1064.6687, 859.32495)(1065.6802, 702.815) 2 1062.6594 1062.6594@11.471287 + 519.332@11.492376 11.492376 (1039.6663, 2389.45)(1040.67, 1390.57)(1041.6775, 554.71)(520.33765, 4712.347)(521.3416, 1686.1901)(522.3368, 1959.11)(523.3356, 510.79)(542.3218, 655.305) 4 519.332 519.332@11.492376 + 545.3475@11.586602 11.586602 (546.3547, 2122.6433)(547.3588, 721.76666) 3 545.3475 545.3475@11.586602 + 1017.1228@11.6018 11.6018 (1018.1299, 1563.7117)(1019.1328, 1263.9497)(1020.1336, 386.242) 39 1017.1228 1017.1228@11.6018 + 553.3847@11.6218815 11.6218815 (554.3918, 1614.3658)(555.3948, 500.188) 21 553.3847 553.3847@11.6218815 + 519.3304@11.721803 11.721803 (1039.6659, 1513.8966)(1040.6694, 871.6766)(1041.6774, 615.19)(520.3376, 1755.8126)(521.3399, 561.435) 4 519.3304 519.3304@11.721803 + 1060.7043@11.761465 11.761465 (1061.7104, 2046.5801)(1062.7101, 1268.505)(1063.7068, 523.84) 2 1060.7043 1060.7043@11.761465 + 847.6215@11.843646 11.843646 (848.62854, 1245.0901)(849.6327, 605.885) 2 847.6215 847.6215@11.843646 + 597.3636@11.917481 11.917481 (598.37164, 5725.47)(599.37384, 1624.6866)(600.3759, 514.83997)(620.35376, 1047.36) 3 597.3636 597.3636@11.917481 + 607.3828@12.07558 12.07558 (608.39044, 11983.097)(609.3933, 3400.392)(610.3938, 1533.155)(611.392, 310.8)(630.37286, 1294.13)(631.377, 443.27002)(632.3729, 344.8) 6 607.3828 607.3828@12.07558 + 905.6629@12.128073 12.128073 (906.6703, 1226.4299)(907.6739, 642.35) 2 905.6629 905.6629@12.128073 + 335.3029@12.169949 12.169949 (336.31018, 1540.1556)(337.31357, 471.24) 9 335.3029 335.3029@12.169949 + 731.5366@12.363519 12.363519 (732.5439, 1029.56)(733.5477, 416.82) 1 731.5366 731.5366@12.363519 + 490.3655@12.375076 12.375076 (491.37317, 1736.225)(492.3765, 388.475) 2 490.3655 490.3655@12.375076 + 413.3499@12.388304 12.388304 (414.35754, 1377.675)(415.3606, 496.99) 2 413.3499 413.3499@12.388304 + 1073.6882@12.462614 12.462614 (1074.6965, 1512.9221)(1075.7013, 498.54114) 19 1073.6882 1073.6882@12.462614 + 443.3616@12.485503 12.485503 (444.3684, 1403.835)(445.37103, 390.095) 2 443.3616 443.3616@12.485503 + 1073.1848@12.505517 12.505517 (1074.192, 1008.94)(1075.194, 895.7) 1 1073.1848 1073.1848@12.505517 + 519.3851@12.612095 12.612095 (520.39105, 2446.645)(521.38885, 557.39) 2 519.3851 519.3851@12.612095 + 519.8884@12.614086 12.614086 (520.89545, 1574.5349) 2 519.8884 519.8884@12.614086 + 672.4175@12.655513 12.655513 (673.4248, 1207.54) 1 672.4175 672.4175@12.655513 + 673.4504@12.805504 12.805504 (674.4576, 2013.62)(675.4596, 894.87) 1 673.4504 673.4504@12.805504 + 548.909@12.823503 12.823503 (549.9162, 1584.34) 1 548.909 548.909@12.823503 + 548.4039@12.823503 12.823503 (549.4112, 2995.6) 1 548.4039 548.4039@12.823503 + 1074.7548@12.844501 12.844501 (1075.762, 1237.91)(1076.7639, 785.25) 1 1074.7548 1074.7548@12.844501 + 971.4724@12.8575 12.8575 (972.4797, 46850.13)(973.4828, 30189.13)(974.4838, 3788.87)(975.4631, 2029.54) 1 971.4724 971.4724@12.8575 + 647.416@12.975634 12.975634 (648.42303, 8799.425)(649.4257, 3067.125)(650.43604, 1903.2649)(651.4419, 476.3)(665.4511, 369.46)(670.4052, 1463.25)(671.4092, 557.015) 4 647.416 647.416@12.975634 + 821.5949@12.996368 12.996368 (822.60016, 2795.6113)(823.603, 1510.1873)(824.5829, 1008.94257) 7 821.5949 821.5949@12.996368 + 757.5617@12.999581 12.999581 (758.5688, 8852.027)(759.57184, 3734.5447)(760.5831, 9177.567)(761.58636, 3203.815)(762.58954, 824.95874)(763.5935, 150.69)(780.55096, 3476.4177)(781.5541, 1643.1523)(782.5659, 5240.123)(783.5703, 2209.8088)(784.5807, 1492.021)(785.5928, 588.9167) 9 757.5617 757.5617@12.999581 + 577.4276@13.050483 13.050483 (578.4348, 2805.36)(579.4365, 766.04) 1 577.4276 577.4276@13.050483 + 323.2816@13.161979 13.161979 (324.2889, 3194.3052)(325.2919, 755.99) 2 323.2816 323.2816@13.161979 + 869.5407@13.183909 13.183909 (870.5465, 1080.9)(871.55066, 650.95)(852.5383, 1766.11)(853.5403, 994.61)(854.5503, 1182.11) 2 869.5407 869.5407@13.183909 + 363.3336@13.228462 13.228462 (364.3409, 1415.76) 1 363.3336 363.3336@13.228462 + 606.9509@13.224285 13.224285 (607.958, 2296.7651) 2 606.9509 606.9509@13.224285 + 606.449@13.206763 13.206763 (607.45636, 1723.8138)(608.45856, 627.1257) 8 606.449 606.449@13.206763 + 827.5304@13.314449 13.314449 (828.5377, 4033.55)(829.541, 1864.98)(830.5496, 1477.71) 1 827.5304 827.5304@13.314449 + 877.5679@13.44243 13.44243 (878.5751, 1407.27)(879.5777, 915.12)(880.5733, 647.5) 1 877.5679 877.5679@13.44243 + 795.5108@13.449429 13.449429 (796.518, 2130.32)(797.5257, 1008.29)(798.5355, 889.64) 1 795.5108 795.5108@13.449429 + 414.3339@13.416855 13.416855 (415.34122, 2167.42)(416.34454, 683.5) 5 414.3339 414.3339@13.416855 + 843.6432@13.464874 13.464874 (844.6497, 1990.645)(845.654, 1169.3)(846.6471, 662.75) 2 843.6432 843.6432@13.464874 + 573.3766@13.44129 13.44129 (574.3838, 4496.737)(575.38696, 1548.9124)(576.3927, 588.14) 9 573.3766 573.3766@13.44129 + 799.6088@13.425942 13.425942 (800.61597, 4859.245)(801.61926, 2093.05)(802.6228, 877.495)(803.6161, 214.01)(822.5991, 2450.815)(823.6028, 1244.4651)(824.5795, 831.27) 2 799.6088 799.6088@13.425942 + 803.5436@13.438029 13.438029 (804.55206, 1030.79)(805.5573, 643.4633)(806.55994, 6134.8154)(807.5632, 4134.27)(808.5818, 18649.92)(809.5851, 7824.71)(810.5962, 5174.31)(811.6034, 1706.07)(812.6128, 3503.02) 3 803.5436 803.5436@13.438029 + 817.5492@13.611169 13.611169 (818.5587, 1796.7988)(819.5616, 872.51996)(820.5596, 483.72836) 8 817.5492 817.5492@13.611169 + 664.9913@13.618801 13.618801 (665.9992, 1920.8601) 2 664.9913 664.9913@13.618801 + 664.4906@13.5950775 13.5950775 (665.498, 2034.4166)(666.5012, 650.8667)(667.4949, 358.8) 3 664.4906 664.4906@13.5950775 + 447.3557@13.731374 13.731374 (448.363, 1012.01) 1 447.3557 447.3557@13.731374 + 380.2916@13.734374 13.734374 (381.2989, 230411.84)(382.3015, 42346.8)(383.3042, 4988.67)(384.3068, 567.58) 1 380.2916 380.2916@13.734374 + 738.5977@13.735374 13.735374 (739.605, 24053.4)(740.6082, 9744.83) 1 738.5977 738.5977@13.735374 + 687.4918@13.737373 13.737373 (688.4991, 2346.3)(689.5018, 1039.38) 1 687.4918 687.4918@13.737373 + 790.5549@13.757369 13.757369 (791.5621, 6672.98)(792.5661, 1768.71)(793.5705, 488.05) 1 790.5549 790.5549@13.757369 + 580.2309@13.771365 13.771365 (581.2385, 1333.62)(582.2419, 556.26)(583.2516, 790.2)(603.2188, 508.45) 1 580.2309 580.2309@13.771365 + 642.3159@13.71543 13.71543 (643.3233, 1323.0333)(644.32623, 565.92334) 6 642.3159 642.3159@13.71543 + 694.0143@13.819222 13.819222 (695.0211, 1465.27) 2 694.0143 694.0143@13.819222 + 693.5116@13.8217 13.8217 (694.51843, 2009.0349)(695.5204, 659.91003) 2 693.5116 693.5116@13.8217 + 380.2899@13.938658 13.938658 (761.5867, 1307.77)(762.59344, 499.41998)(381.29724, 2216.591)(382.30054, 713.65796) 9 380.2899 380.2899@13.938658 + 605.4673@13.919399 13.919399 (606.47485, 1635.4751)(607.4776, 598.7625) 4 605.4673 605.4673@13.919399 + 723.0338@14.034512 14.034512 (724.0418, 1199.91) 2 723.0338 723.0338@14.034512 + 722.5312@14.03651 14.03651 (723.5387, 1493.855)(724.5419, 566.025) 2 722.5312 722.5312@14.03651 + 807.575@14.049328 14.049328 (808.5819, 9964.838)(809.5853, 4228.35)(810.5964, 4693.41)(825.605, 376.23) 4 807.575 807.575@14.049328 + 823.5622@14.095285 14.095285 (824.5694, 672.12)(825.5762, 181.21)(826.5643, 1104.27) 1 823.5622 823.5622@14.095285 + 619.4838@14.158747 14.158747 (620.49097, 1372.525)(621.49414, 526.9325) 4 619.4838 619.4838@14.158747 + 789.5517@14.2944 14.2944 (790.5589, 8043.06)(791.56116, 3621.625)(792.5654, 1397.52)(793.5702, 255.57) 2 789.5517 789.5517@14.2944 + 457.3773@14.298201 14.298201 (458.3847, 1691.6136)(459.38782, 582.89294) 28 457.3773 457.3773@14.298201 + 397.367@14.277317 14.277317 (398.37527, 1144.8174)(399.37973, 389.39084) 18 397.367 397.367@14.277317 + 773.5631@14.57913 14.57913 (774.5703, 3210.85)(775.5728, 1320.81)(776.5712, 219.73)(796.5526, 1403.92)(797.5594, 772.78) 1 773.5631 773.5631@14.57913 + 589.4721@14.584537 14.584537 (590.48004, 1202.12)(591.4819, 470.36667) 3 589.4721 589.4721@14.584537 + 893.5915@14.666584 14.666584 (894.5987, 2097.1667)(895.60205, 1212.2179)(896.60474, 480.08667)(916.58124, 461.1733) 9 893.5915 893.5915@14.666584 + 893.5919@14.801969 14.801969 (894.5991, 1716.044)(895.6019, 1014.3999)(896.6032, 817.19) 10 893.5919 893.5919@14.801969 + 605.4415@14.820195 14.820195 (606.4486, 1524.4779)(607.45197, 590.08606) 5 605.4415 605.4415@14.820195 + 795.5507@14.873014 14.873014 (796.558, 1218.58)(797.5612, 800.19)(798.5642, 2506.83)(799.5691, 1092.41) 1 795.5507 795.5507@14.873014 + 777.5302@14.926777 14.926777 (778.53723, 2944.3525)(779.5408, 1459.6832)(780.54626, 515.4) 4 777.5302 777.5302@14.926777 + 825.5317@15.073038 15.073038 (826.5426, 1408.012)(827.5456, 505.18198) 5 825.5317 825.5317@15.073038 + 860.5409@15.194869 15.194869 (861.5484, 1844.67)(878.5738, 533.06)(879.5748, 463.07) 1 860.5409 860.5409@15.194869 + 834.5276@15.180075 15.180075 (835.5363, 2613.881)(836.5469, 1265.2644)(837.5512, 510.92334)(852.5609, 437.27997)(857.5213, 663.84)(858.5214, 353.99) 8 834.5276 834.5276@15.180075 + 777.5302@15.294496 15.294496 (778.5373, 3516.28)(779.5405, 1681.7927) 7 777.5302 777.5302@15.294496 + 315.3128@15.650626 15.650626 (316.3201, 1317.46) 1 315.3128 315.3128@15.650626 + 773.558@15.956239 15.956239 (774.56635, 3753.59)(775.56964, 1799.3157)(776.57025, 725.67) 7 773.558 773.558@15.956239 + 741.5299@15.946446 15.946446 (742.5372, 1026.66)(743.544, 606.15) 1 741.5299 741.5299@15.946446 + 700.5525@15.996604 15.996604 (701.5596, 33573.793)(702.56244, 12590.914)(703.5656, 2819.0198)(704.5559, 444.41333) 3 700.5525 700.5525@15.996604 + 782.567@16.026394 16.026394 (783.5742, 200863.53)(784.5765, 43225.38)(785.5796, 7276.48) 1 782.567 782.567@16.026394 + 700.5519@16.67259 16.67259 (701.5592, 17387.105)(702.56226, 6539.385)(703.5658, 1563.74)(704.5644, 242.14) 2 700.5519 700.5519@16.67259 + 674.5355@16.721317 16.721317 (675.54236, 1426.99)(676.5467, 776.805) 2 674.5355 674.5355@16.721317 + 607.4576@16.667925 16.667925 (608.4649, 1476.91)(609.468, 662.42) 1 607.4576 607.4576@16.667925 + 739.5492@16.70364 16.70364 (740.5563, 1717.4751)(741.56036, 884.275)(742.5622, 477.19) 2 739.5492 739.5492@16.70364 + 793.5646@16.736853 16.736853 (794.572, 4978.626)(795.5727, 2178.814)(796.57697, 494.7667)(797.584, 95.11) 5 793.5646 793.5646@16.736853 + 865.6215@16.776834 16.776834 (866.6288, 1344.04)(867.6325, 714.99) 1 865.6215 865.6215@16.776834 + 833.5928@17.06031 17.06031 (834.5998, 9816.567)(835.603, 5682.5674)(836.61017, 2730.4368)(837.61597, 1120.86) 4 833.5928 833.5928@17.06031 + 741.5613@17.09821 17.09821 (742.56885, 1582.9625)(743.5742, 781.30994) 4 741.5613 741.5613@17.09821 + 715.5153@18.053724 18.053724 (716.52277, 2614.0066)(717.52637, 1245.2933) 3 715.5153 715.5153@18.053724 + 369.3475@18.136477 18.136477 (370.3548, 2302.22)(371.3584, 334.42) 1 369.3475 369.3475@18.136477 + C12 0.7959821 [ C12, mfg=74.75, overall=74.75 ] (145.00624, 2342.1191)(146.0137, 369.56)(162.03345, 852.1786) 36 143.9994 C12 + 408.1046@0.9189326 0.9189326 (409.11197, 8530.247)(410.11514, 1222.7883)(391.10162, 21698.342)(392.10464, 2421.6533)(431.09265, 524.77) 8 408.1046 408.1046@0.9189326 + 125.0831@1.6804334 1.6804334 (126.09042, 1343.3148)(143.11713, 1162.1836) 12 125.0831 125.0831@1.6804334 + 246.0918@4.152092 4.152092 (247.09909, 4009.4)(248.1031, 519.095)(229.0893, 484.815)(269.08093, 1186.6951) 2 246.0918 246.0918@4.152092 + 262.0866@4.5687947 4.5687947 (263.09335, 2676.365)(245.0839, 558.35)(285.07617, 4028.355)(286.0796, 501.09) 2 262.0866 262.0866@4.5687947 + 295.162@4.7792525 4.7792525 (296.16968, 1058.0991) 21 295.162 295.162@4.7792525 + 318.1127@4.9064484 4.9064484 (319.12006, 4476.55)(320.12347, 707.94) 2 318.1127 318.1127@4.9064484 + 252.0791@4.9097958 4.9097958 (253.0863, 1847.99) 1 252.0791 252.0791@4.9097958 + 318.1124@4.979361 4.979361 (319.12015, 2908.08)(320.1232, 510.07) 2 318.1124 318.1124@4.979361 + 252.0787@4.9796453 4.9796453 (253.086, 1756.0) 1 252.0787 252.0787@4.9796453 + 711.8205@5.0161977 5.0161977 (712.82855, 1707.9551)(713.8305, 548.9438) 8 711.8205 711.8205@5.0161977 + 846.8165@5.0348797 5.0348797 (847.8243, 1177.7025)(848.83044, 498.5625) 4 846.8165 846.8165@5.0348797 + 7(Z),11(Z)-Heptacosadiene 5.0781894 7(Z),11(Z)-Heptacosadiene [ C27 H52, db=22.55, overall=22.55, CAS ID=100462-58-6, METLIN ID=64722 ] 100462-58-6 (770.8431, 2767.477)(771.84467, 508.29) 10 769.836 7(Z),11(Z)-Heptacosadiene + MS-275 5.0790086 MS-275 [ C21 H20 N4 O3, db=65.09, overall=65.09, CAS ID=209783-80-2, METLIN ID=45517 ] 209783-80-2 (770.34155, 3075.608)(771.3442, 1063.9336) 15 769.3348 MS-275 + 976.7323@6.064715 6.064715 (977.73956, 1092.8857) 7 976.7323 976.7323@6.064715 + 781.1859@6.067626 6.067626 (782.19336, 1470.8304) 20 781.1859 781.1859@6.067626 + 781.3862@6.0667157 6.0667157 (782.393, 1236.9501) 11 781.3862 781.3862@6.0667157 + 184.0917@6.1888123 6.1888123 (185.099, 1594.48) 1 184.0917 184.0917@6.1888123 + 56.0631@6.1910596 6.1910596 (57.07025, 1392.77) 2 56.0631 56.0631@6.1910596 + 124.0525@6.193056 6.193056 (125.0597, 1549.05) 2 124.0525 124.0525@6.193056 + 303.1868@6.1898084 6.1898084 (304.1941, 1065.37) 1 303.1868 303.1868@6.1898084 + 84.0579@6.1925564 6.1925564 (85.06505, 1487.69) 2 84.0579 84.0579@6.1925564 + 212.0867@6.192057 6.192057 (213.09409, 10889.135)(214.0971, 1319.375)(215.09256, 545.05) 2 212.0867 212.0867@6.192057 + 132.0615@6.193556 6.193556 (133.0687, 1302.025) 2 132.0615 132.0615@6.193556 + 288.1502@6.193554 6.193554 (289.1575, 2449.7349)(290.16376, 449.825) 2 288.1502 288.1502@6.193554 + 317.165@6.193054 6.193054 (318.1726, 1656.8) 2 317.165 317.165@6.193054 + 268.0533@6.1945515 6.1945515 (269.0605, 1768.845) 2 268.0533 268.0533@6.1945515 + 426.1284@6.260875 6.260875 (427.13593, 5169.45)(428.13895, 1076.43)(429.1359, 573.6) 2 426.1284 426.1284@6.260875 + 246.0926@7.023902 7.023902 (515.17346, 6130.635)(516.1763, 1536.895)(517.1723, 760.74)(247.09995, 94958.11)(248.10284, 9303.891)(249.09775, 3931.56)(250.0994, 275.74)(269.08145, 16664.76)(270.08475, 1862.97)(271.07965, 834.235) 2 246.0926 246.0926@7.023902 + 284.0476@7.0248966 7.0248966 (285.0547, 2517.725) 2 284.0476 284.0476@7.0248966 + 372.1597@7.0996075 7.0996075 (373.16736, 423.275)(355.15656, 1714.3049)(356.16, 414.10498) 2 372.1597 372.1597@7.0996075 + 354.1496@7.274401 7.274401 (355.1568, 3129.5698)(356.15994, 687.38) 2 354.1496 354.1496@7.274401 + 354.1491@7.481585 7.481585 (355.1563, 1385.51) 1 354.1491 354.1491@7.481585 + 372.1605@7.488536 7.488536 (373.1674, 1181.99)(395.1504, 725.37) 1 372.1605 372.1605@7.488536 + 410.1366@8.044667 8.044667 (411.14368, 1959.6699)(412.14703, 426.78998) 2 410.1366 410.1366@8.044667 + 370.1444@8.039251 8.039251 (371.1517, 1307.06) 1 370.1444 370.1444@8.039251 + 872.816@8.092973 8.092973 (873.8231, 1165.6199) 5 872.816 872.816@8.092973 + 791.3795@8.096445 8.096445 (792.38477, 1410.8855) 11 791.3795 791.3795@8.096445 + 1095.2574@8.093204 8.093204 (1096.2667, 1109.2346) 13 1095.2574 1095.2574@8.093204 + 1190.8654@8.442383 8.442383 (1191.8724, 1133.355) 2 1190.8654 1190.8654@8.442383 + 926.3391@8.4474745 8.4474745 (927.346, 1194.0033) 3 926.3391 926.3391@8.4474745 + 1042.1292@8.445349 8.445349 (1043.1382, 1293.8134) 3 1042.1292 1042.1292@8.445349 + 926.2265@8.447143 8.447143 (927.23505, 1330.06) 3 926.2265 926.2265@8.447143 + 1042.0065@8.445678 8.445678 (1043.0114, 1251.2333) 3 1042.0065 1042.0065@8.445678 + 1191.0089@8.443869 8.443869 (1192.0151, 1058.495) 2 1191.0089 1191.0089@8.443869 + 833.6043@8.447994 8.447994 (834.6114, 1336.2399) 3 833.6043 833.6043@8.447994 + 354.1499@8.778584 8.778584 (355.1571, 21190.19)(356.15997, 4048.5151)(377.1392, 1047.23) 2 354.1499 354.1499@8.778584 + 378.1474@9.230098 9.230098 (379.1547, 20500.6)(380.1574, 3971.06)(381.1544, 1382.97) 1 378.1474 378.1474@9.230098 + 292.167@9.303211 9.303211 (293.1743, 1157.83) 1 292.167 292.167@9.303211 + 230.0979@9.314541 9.314541 (231.1051, 77762.46)(232.10785, 8233.255)(233.10254, 3384.905)(234.10559, 122.729996) 2 230.0979 230.0979@9.314541 + 766.2507@9.316031 9.316031 (767.2579, 2908.31)(768.2595, 1185.735)(769.2588, 572.57)(789.24005, 7945.79)(790.2422, 3183.115)(791.2401, 1405.715)(792.24036, 179.51999) 2 766.2507 766.2507@9.316031 + 765.252@9.316031 9.316031 (766.2594, 1611.5149)(788.242, 3279.13) 2 765.252 765.252@9.316031 + 166.0991@9.315529 9.315529 (167.10635, 8401.625)(168.10995, 962.185) 2 166.0991 166.0991@9.315529 + 429.2525@9.317015 9.317015 (430.2601, 1178.73) 2 429.2525 429.2525@9.317015 + 443.2336@9.318007 9.318007 (444.2409, 1948.45)(445.2433, 615.81006)(446.24936, 425.445) 2 443.2336 443.2336@9.318007 + 414.2183@9.315066 9.315066 (415.2256, 4552.41)(416.2299, 1249.33)(417.2281, 417.65) 1 414.2183 414.2183@9.315066 + 583.3256@9.347387 9.347387 (584.333, 2257.4927)(585.3368, 772.90497) 4 583.3256 583.3256@9.347387 + 378.1476@9.343712 9.343712 (379.1549, 20728.65)(380.1578, 3989.18)(381.1548, 1294.57) 1 378.1476 378.1476@9.343712 + 403.2567@9.555837 9.555837 (404.2635, 2590.8464)(405.2667, 615.2767) 13 403.2567 403.2567@9.555837 + 367.1363@9.874138 9.874138 (735.2796, 1992.165)(736.2827, 774.695)(737.2817, 477.67)(368.14398, 766.39) 2 367.1363 367.1363@9.874138 + 808.3439@10.092497 10.092497 (809.3511, 1105.05)(810.3545, 500.05) 1 808.3439 808.3439@10.092497 + 750.2692@10.10826 10.10826 (751.2765, 1001.37)(752.2756, 398.87) 1 750.2692 750.2692@10.10826 + 736.2899@10.161457 10.161457 (737.2971, 94597.59)(738.2997, 32339.47)(739.2971, 12599.91)(740.2974, 3268.96)(741.2982, 704.15) 1 736.2899 736.2899@10.161457 + 368.1447@10.175686 10.175686 (737.2967, 46270.37)(738.2989, 16063.25)(739.2969, 6605.33)(740.2979, 1782.96)(741.2984, 311.81)(369.15167, 11025.064)(370.15216, 2087.415) 2 368.1447 368.1447@10.175686 + 804.2755@10.177174 10.177174 (805.2827, 7848.765)(806.28564, 3050.26)(807.284, 1413.845)(808.2849, 368.98) 2 804.2755 804.2755@10.177174 + 848.3007@10.163426 10.163426 (849.308, 1114.01)(850.3111, 508.96) 1 848.3007 848.3007@10.163426 + 126.0678@10.183601 10.183601 (127.07495, 1488.895) 2 126.0678 126.0678@10.183601 + 372.1604@10.19055 10.19055 (767.3085, 1131.74)(768.3133, 469.82)(373.1676, 15245.274)(374.17072, 2964.415)(375.1679, 982.695)(390.19415, 9200.335)(391.1975, 1831.02)(392.19446, 621.995)(395.1493, 4006.93)(396.1523, 755.51)(397.1482, 330.62) 2 372.1604 372.1604@10.19055 + 246.0923@10.192022 10.192022 (247.09946, 11515.12)(248.10225, 1387.85)(249.09785, 591.3) 2 246.0923 246.0923@10.192022 + 430.2135@10.200855 10.200855 (431.2207, 1580.27) 1 430.2135 430.2135@10.200855 + 394.1422@10.207749 10.207749 (395.1495, 5731.25)(396.1523, 1125.42) 1 394.1422 394.1422@10.207749 + 492.2033@10.210741 10.210741 (493.21057, 2329.29)(494.21326, 606.475) 2 492.2033 492.2033@10.210741 + 250.1194@10.342496 10.342496 (251.12723, 1130.7672) 14 250.1194 250.1194@10.342496 + 393.2875@10.342417 10.342417 (394.29474, 2160.291)(395.29703, 575.7255) 9 393.2875 393.2875@10.342417 + 288.2296@10.39218 10.39218 (289.2372, 589.9072)(306.26334, 1614.0458)(307.26596, 469.1525) 25 288.2296 288.2296@10.39218 + 820.2693@10.404295 10.404295 (821.277, 2805.475)(822.28094, 1089.075)(823.2794, 820.43) 2 820.2693 820.2693@10.404295 + 752.2836@10.409744 10.409744 (753.2904, 15340.32)(754.2935, 5542.1396)(755.2919, 2394.23)(756.2931, 973.74) 2 752.2836 752.2836@10.409744 + 415.3286@10.977351 10.977351 (416.33594, 2284.99)(417.33972, 616.5) 3 415.3286 415.3286@10.977351 + 320.2558@11.1362705 11.1362705 (321.2626, 552.40607)(338.28967, 2816.8496)(339.29285, 568.811) 31 320.2558 320.2558@11.1362705 + 411.3144@11.358852 11.358852 (412.3212, 66083.26)(413.32425, 16566.33)(414.32648, 2206.72)(415.3295, 288.93) 2 411.3144 411.3144@11.358852 + 342.2169@11.6644 11.6644 (343.22382, 5506.848)(344.227, 1610.8899)(345.23, 401.82) 5 342.2169 342.2169@11.6644 + 720.2934@11.657407 11.657407 (721.3007, 2806.07)(722.3033, 1030.3)(723.3035, 473.24) 1 720.2934 720.2934@11.657407 + 103.0995@11.755355 11.755355 (104.10673, 2657.8538) 26 103.0995 103.0995@11.755355 + 214.1024@11.865904 11.865904 (215.1097, 1634.0) 1 214.1024 214.1024@11.865904 + 340.1703@11.912807 11.912807 (341.1776, 3060.305)(342.1805, 983.13)(343.1765, 342.31) 2 340.1703 340.1703@11.912807 + 1092.4536@13.248713 13.248713 (1093.4607, 23334.965)(1094.4635, 12765.85)(1095.4617, 6700.875)(1096.4642, 2336.6948)(1097.461, 638.24)(1115.4404, 1490.45)(1116.4435, 864.33)(1117.4459, 491.71) 2 1092.4536 1092.4536@13.248713 + 736.2884@13.249198 13.249198 (737.29504, 5427.35)(738.29803, 2068.765)(739.29504, 944.05005) 2 736.2884 736.2884@13.249198 + 356.1654@13.249198 13.249198 (357.1727, 4254.525)(358.17548, 853.82) 2 356.1654 356.1654@13.249198 + 733.5548@13.417004 13.417004 (734.5635, 1470.2275)(735.5708, 712.0625)(756.5467, 1100.29)(757.5678, 495.135) 4 733.5548 733.5548@13.417004 + 831.6256@13.70711 13.70711 (832.63245, 1986.4847)(833.6307, 1112.3673)(834.6216, 659.3067) 22 831.6256 831.6256@13.70711 + 583.2537@13.721121 13.721121 (584.26154, 1872.2025) 4 583.2537 583.2537@13.721121 + 808.5776@13.996958 13.996958 (809.5851, 3369.8652)(810.594, 3021.48)(811.603, 1231.805) 4 808.5776 808.5776@13.996958 + 757.5615@14.034353 14.034353 (758.56903, 10185.335)(759.57196, 4244.367)(760.58356, 10757.638)(761.5872, 3867.3225)(762.59076, 982.13)(763.5947, 218.90999)(764.5953, 258.36)(780.55096, 3494.64)(781.5542, 1676.0782)(782.56647, 5716.725)(783.5708, 2479.4182)(784.58105, 1909.59)(785.59564, 841.58) 7 757.5615 757.5615@14.034353 + 884.5399@14.701696 14.701696 (885.54706, 1574.3141)(886.55145, 855.818)(887.5553, 430.76)(902.57306, 696.102)(903.5635, 495.99)(907.5299, 447.17) 5 884.5399 884.5399@14.701696 + 717.5358@15.163126 15.163126 (718.5441, 1125.37)(719.5464, 581.33)(740.5231, 695.37)(741.5284, 371.21) 1 717.5358 717.5358@15.163126 + 365.3653@15.155584 15.155584 (366.3728, 1417.7)(367.3766, 434.25)(388.3532, 415.92) 2 365.3653 365.3653@15.155584 + 851.5459@15.405859 15.405859 (852.5547, 2258.9993)(853.5566, 1258.62) 16 851.5459 851.5459@15.405859 + 414.37@15.36408 15.36408 (415.3769, 485.43)(432.4038, 813.35)(437.3593, 1118.44) 1 414.37 414.37@15.36408 + 801.5457@15.996882 15.996882 (802.5463, 1843.1068)(803.5554, 935.63007) 3 801.5457 801.5457@15.996882 + 789.5436@16.040216 16.040216 (790.5492, 3570.0125)(791.55133, 1718.9316)(792.551, 852.31) 7 789.5436 789.5436@16.040216 + 773.5414@16.770412 16.770412 (774.54816, 1815.6721)(775.5508, 911.916)(776.55786, 378.19) 5 773.5414 773.5414@16.770412 + 840.6179@17.015366 17.015366 (841.6251, 1400.3701)(842.622, 335.835) 2 840.6179 840.6179@17.015366 + 390.2761@17.134724 17.134724 (391.2833, 1195.29)(373.2729, 514.0) 1 390.2761 390.2761@17.134724 + 817.5982@17.226479 17.226479 (818.6054, 11360.087)(819.6086, 5800.7324)(820.5892, 7441.125)(821.58936, 1104.84) 9 817.5982 817.5982@17.226479 + 791.5824@17.245285 17.245285 (792.5899, 22071.5)(793.5929, 10002.168)(794.5933, 2928.0002)(795.59503, 488.37143) 8 791.5824 791.5824@17.245285 + 681.5314@17.76469 17.76469 (682.539, 1160.61)(683.5427, 563.56) 4 681.5314 681.5314@17.76469 + 891.6458@18.03497 18.03497 (892.65295, 2434.8281)(893.65625, 1381.4939)(894.66003, 454.91803) 5 891.6458 891.6458@18.03497 + 132.0882@0.83405715 0.83405715 (133.0955, 1067.16) 1 132.0882 132.0882@0.83405715 + 151.0609@0.88090384 0.88090384 (152.06812, 1335.6599) 5 151.0609 151.0609@0.88090384 + 108.0686@0.8883505 0.8883505 (109.07605, 814.35565)(126.102234, 1771.8158) 7 108.0686 108.0686@0.8883505 + 226.9383@0.8916363 0.8916363 (227.94545, 1067.0499) 6 226.9383 226.9383@0.8916363 + 296.0619@0.89611673 0.89611673 (297.0687, 1432.8201) 2 296.0619 296.0619@0.89611673 + 180.0826@0.91806626 0.91806626 (181.0899, 1485.06) 1 180.0826 180.0826@0.91806626 + 163.0826@0.9190664 0.9190664 (164.0899, 4362.57) 1 163.0826 163.0826@0.9190664 + 267.0443@1.0400801 1.0400801 (268.0515, 1167.75) 1 267.0443 267.0443@1.0400801 + 135.0419@1.1260902 1.1260902 (136.0492, 1137.73) 1 135.0419 135.0419@1.1260902 + 363.0571@1.1531279 1.1531279 (364.0645, 1281.505) 2 363.0571 363.0571@1.1531279 + 211.0951@1.2206873 1.2206873 (212.10239, 1247.335) 2 211.0951 211.0951@1.2206873 + 405.155@1.2350274 1.2350274 (406.16235, 1200.5566)(428.14417, 656.07996) 3 405.155 405.155@1.2350274 + 129.0421@1.2614357 1.2614357 (130.04938, 1673.7426) 4 129.0421 129.0421@1.2614357 + 348.0663@1.2671067 1.2671067 (349.0736, 1999.78) 1 348.0663 348.0663@1.2671067 + 125.0837@1.2751076 1.2751076 (126.091, 1054.54) 1 125.0837 125.0837@1.2751076 + 147.0897@1.2771816 1.2771816 (148.09665, 1246.915) 2 147.0897 147.0897@1.2771816 + 266.0507@1.2786034 1.2786034 (267.05814, 1512.9249) 6 266.0507 266.0507@1.2786034 + 612.1499@1.3251137 1.3251137 (613.1572, 2095.54) 1 612.1499 612.1499@1.3251137 + 227.0901@1.3249674 1.3249674 (455.18735, 1460.0801)(228.09715, 1266.4299) 4 227.0901 227.0901@1.3249674 + 285.0901@1.3261137 1.3261137 (286.0974, 1325.27) 1 285.0901 285.0901@1.3261137 + 306.0749@1.3271139 1.3271139 (307.0822, 1118.59) 1 306.0749 306.0749@1.3271139 + 106.0628@1.4633327 1.4633327 (107.06986, 4654.334)(108.07276, 386.65665)(89.05979, 5274.293)(90.0621, 378.03665)(124.09609, 805.758)(129.05194, 1544.5413) 12 106.0628 106.0628@1.4633327 + 88.0525@1.5675514 1.5675514 (89.059845, 5000.9824)(90.0608, 445.125) 4 88.0525 88.0525@1.5675514 + 86.0922@1.9214079 1.9214079 (87.099525, 1334.22) 7 86.0922 86.0922@1.9214079 + 68.0627@1.935953 1.935953 (69.06957, 785.5612)(70.0656, 96.545)(86.096535, 21332.066)(87.09952, 1126.1383)(88.1091, 192.52) 17 68.0627 68.0627@1.935953 + 246.1207@3.266389 3.266389 (247.12796, 1083.855) 2 246.1207 246.1207@3.266389 + 190.0734@3.411136 3.411136 (191.0807, 2285.02) 1 190.0734 190.0734@3.411136 + 70.0423@3.445129 3.445129 (71.0495, 1108.2) 1 70.0423 70.0423@3.445129 + 232.1498@3.8540714 3.8540714 (233.157, 2455.41) 2 232.1498 232.1498@3.8540714 + 232.1499@3.9486675 3.9486675 (233.15692, 3698.5898) 3 232.1499 232.1499@3.9486675 + 255.1678@4.014401 4.014401 (256.17508, 18580.98)(257.178, 2555.14) 14 255.1678 255.1678@4.014401 + 204.0895@4.120315 4.120315 (205.09671, 5220.6787)(206.09949, 866.59) 7 204.0895 204.0895@4.120315 + 260.1364@4.122561 4.122561 (261.14374, 1995.2539) 8 260.1364 260.1364@4.122561 + 82.0428@4.2468586 4.2468586 (83.0501, 1467.84) 1 82.0428 82.0428@4.2468586 + 159.0892@4.347823 4.347823 (160.09619, 1334.115) 2 159.0892 159.0892@4.347823 + 269.1829@4.486854 4.486854 (270.19016, 1244.4) 3 269.1829 269.1829@4.486854 + 171.0892@5.0213513 5.0213513 (172.0965, 3026.25) 1 171.0892 171.0892@5.0213513 + 821.3626@5.0345445 5.0345445 (822.3688, 4345.1396) 2 821.3626 821.3626@5.0345445 + 215.0553@5.060318 5.060318 (216.0626, 1742.03) 1 215.0553 215.0553@5.060318 + 90.0469@5.0634685 5.0634685 (91.05435, 2578.7634) 6 90.0469 90.0469@5.0634685 + 98.0731@5.6462555 5.6462555 (99.08027, 2953.3835)(100.078094, 454.16998) 3 98.0731 98.0731@5.6462555 + 173.1048@5.645579 5.645579 (369.197, 634.69)(174.11214, 3734.6575)(175.11404, 749.415)(196.0946, 1321.845) 8 173.1048 173.1048@5.645579 + 75.0322@5.646707 5.646707 (76.039665, 3373.4434) 3 75.0322 75.0322@5.646707 + 320.1229@6.1864166 6.1864166 (321.13037, 1316.3433) 3 320.1229 320.1229@6.1864166 + 872.6182@8.085424 8.085424 (873.6245, 1493.4613) 7 872.6182 872.6182@8.085424 + 872.4157@8.070898 8.070898 (873.42444, 1796.0325)(874.4208, 472.11) 4 872.4157 872.4157@8.070898 + 559.3265@9.397225 9.397225 (560.3331, 2249.71)(561.3367, 715.44507)(562.3418, 382.97) 4 559.3265 559.3265@9.397225 + 541.3173@10.472479 10.472479 (542.3247, 112630.266)(543.3273, 28444.605)(544.32935, 4537.2197)(545.3319, 577.555)(564.30554, 5097.59)(565.30896, 1437.81) 2 541.3173 541.3173@10.472479 + 152.1199@10.514776 10.514776 (153.1269, 1138.985)(154.1305, 488.47)(135.11644, 2704.9475)(136.11975, 574.225) 8 152.1199 152.1199@10.514776 + 331.2719@10.532972 10.532972 (332.27914, 10320.892)(333.28226, 1847.5935)(334.2851, 1646.61) 14 331.2719 331.2719@10.532972 + 551.3691@10.718523 10.718523 (552.37646, 1217.495)(553.37976, 378.655) 2 551.3691 551.3691@10.718523 + 515.2986@10.728476 10.728476 (516.30566, 7226.42)(517.3085, 1810.4401)(518.3192, 1549.855) 4 515.2986 515.2986@10.728476 + 515.2982@10.807308 10.807308 (516.3054, 5403.0605)(517.30853, 1428.4656)(518.316, 509.3933) 9 515.2982 515.2982@10.807308 + 656.1947@10.881986 10.881986 (657.20197, 2689.01)(658.20514, 1153.4767)(659.2073, 455.25) 3 656.1947 656.1947@10.881986 + 1132.503@10.900967 10.900967 (1133.5103, 1048.6)(1134.5137, 698.69) 1 1132.503 1132.503@10.900967 + 735.2104@10.915205 10.915205 (736.2186, 1572.8772)(737.2218, 771.5357) 7 735.2104 735.2104@10.915205 + 1089.6761@11.12867 11.12867 (1090.6816, 1223.185)(1091.6815, 484.43) 2 1089.6761 1089.6761@11.12867 + 1134.4991@11.137459 11.137459 (1135.5063, 1040.1)(1136.509, 659.26) 1 1134.4991 1134.4991@11.137459 + 542.3207@11.161137 11.161137 (1085.6516, 1722.665)(1086.656, 1070.075)(1087.6667, 2706.34)(1088.6716, 1550.66)(1089.6744, 510.41)(543.3249, 2808.7234) 3 542.3207 542.3207@11.161137 + 567.3314@11.20401 11.20401 (568.3387, 5152.124)(569.342, 1701.3619)(570.3541, 5151.76)(571.3574, 1535.02)(572.3616, 268.58) 5 567.3314 567.3314@11.20401 + 535.3608@12.038997 12.038997 (536.3681, 1140.99) 1 535.3608 535.3608@12.038997 + 372.287@12.049911 12.049911 (373.2945, 1317.51)(355.2828, 686.75)(390.3206, 4141.16)(391.3228, 898.58)(395.2765, 5070.38)(396.2802, 1103.77) 1 372.287 372.287@12.049911 + 332.292@12.709324 12.709324 (333.29904, 858.2172)(350.3255, 5505.161)(351.3278, 1202.148)(352.32263, 560.01) 11 332.292 332.292@12.709324 + 305.2925@12.712384 12.712384 (306.2997, 1096.33) 1 305.2925 305.2925@12.712384 + 551.3947@13.043489 13.043489 (552.4016, 4588.9014)(553.40466, 1445.0106)(554.4091, 687.8175)(574.3832, 2643.03)(575.3864, 852.53) 28 551.3947 551.3947@13.043489 + 835.5923@13.289006 13.289006 (836.5996, 1110.12)(837.6043, 562.92) 1 835.5923 835.5923@13.289006 + 408.3239@13.463788 13.463788 (839.632, 2637.44)(840.6335, 2172.93)(841.6341, 750.39)(409.33063, 11640.659)(410.33423, 3474.1052)(411.33615, 985.78)(431.3129, 12781.782)(432.3153, 3245.68)(433.3223, 859.7) 5 408.3239 408.3239@13.463788 + 762.5597@13.561613 13.561613 (763.56854, 2059.9185)(764.5673, 1017.3242)(765.5666, 492.402) 7 762.5597 762.5597@13.561613 + 817.5541@13.639187 13.639187 (818.5589, 1816.6866)(819.55914, 898.5234)(820.5577, 584.17) 3 817.5541 817.5541@13.639187 + 835.5452@13.680285 13.680285 (836.5525, 1295.53)(837.55536, 689.82666) 3 835.5452 835.5452@13.680285 + 266.2609@13.710408 13.710408 (267.26794, 5191.1997)(268.27145, 1053.2252) 21 266.2609 266.2609@13.710408 + 797.5527@14.04115 14.04115 (798.5586, 617.02)(780.5497, 4380.74)(781.5524, 1774.96)(782.566, 8104.08)(783.5697, 3464.48)(784.5799, 2157.63)(785.592, 726.11) 1 797.5527 797.5527@14.04115 + 380.29@14.049306 14.049306 (761.5872, 6213.38)(762.5902, 1493.09)(763.5923, 481.36)(783.5705, 1151.0)(784.581, 1001.11)(381.29724, 1808.2062)(382.30087, 509.26834) 8 380.29 380.29@14.049306 + 478.3658@14.208887 14.208887 (479.37268, 3583.395)(480.37585, 1158.9425)(481.3838, 306.35)(501.3542, 1037.325)(502.35965, 474.555) 4 478.3658 478.3658@14.208887 + 536.4184@14.192041 14.192041 (537.4257, 1357.0701)(538.42456, 469.89502) 2 536.4184 536.4184@14.192041 + 462.3698@14.445354 14.445354 (463.3767, 1135.6433)(464.38266, 471.90665) 3 462.3698 462.3698@14.445354 + 899.5497@14.494925 14.494925 (900.5569, 1057.62)(901.5592, 582.94) 1 899.5497 899.5497@14.494925 + 815.631@14.518486 14.518486 (816.63696, 2004.0354)(817.6399, 931.8053)(818.6336, 614.3133) 17 815.631 815.631@14.518486 + 876.5501@14.940423 14.940423 (877.5574, 1367.67)(878.5636, 343.1) 1 876.5501 876.5501@14.940423 + 422.3393@14.951624 14.951624 (423.34634, 2070.6924)(424.35004, 591.75) 4 422.3393 422.3393@14.951624 + 753.5296@15.498312 15.498312 (754.53674, 2865.805)(755.5403, 1371.8899)(756.546, 285.0) 2 753.5296 753.5296@15.498312 + 801.5407@15.7957 15.7957 (802.54205, 2409.3342)(803.5458, 1211.98) 5 801.5407 801.5407@15.7957 + 827.5433@16.516678 16.516678 (828.5508, 4163.95)(829.5541, 2089.205) 2 827.5433 827.5433@16.516678 + 602.5264@16.645554 16.645554 (603.5343, 10582.283)(604.5373, 4306.1016)(605.54065, 1216.644) 7 602.5264 602.5264@16.645554 + 862.5562@16.603569 16.603569 (863.5635, 2010.7561)(880.59, 628.8788)(881.59326, 438.88998) 14 862.5562 862.5562@16.603569 + 807.5796@16.841087 16.841087 (808.5867, 227162.27)(809.5899, 136092.7)(810.59235, 31707.666)(811.5991, 4880.582)(812.6057, 597.98) 6 807.5796 807.5796@16.841087 + 839.614@16.999168 16.999168 (840.6217, 2594.3525)(841.62537, 1340.015)(842.627, 237.00334) 4 839.614 839.614@16.999168 + 689.5535@17.036188 17.036188 (690.5608, 1369.69) 1 689.5535 689.5535@17.036188 + 702.5685@17.16791 17.16791 (703.5758, 31557.84)(704.5786, 11424.35)(705.581, 2039.66) 1 702.5685 702.5685@17.16791 + 842.6333@18.162 18.162 (843.6413, 1263.9467)(844.6424, 507.12668) 3 842.6333 842.6333@18.162 + 861.6232@19.586458 19.586458 (862.63074, 1325.7659)(863.634, 797.338)(864.6394, 444.76334) 5 861.6232 861.6232@19.586458 + 820.6165@19.546618 19.546618 (821.6238, 4649.44)(822.6277, 1658.77)(823.6314, 633.08) 1 820.6165 820.6165@19.546618 + 853.6185@19.612919 19.612919 (854.626, 4686.548)(855.6291, 2420.3882)(856.63116, 819.558)(857.6301, 28.14) 5 853.6185 853.6185@19.612919 + 743.5827@19.603724 19.603724 (744.5897, 15015.11)(745.5927, 6632.657) 4 743.5827 743.5827@19.603724 + 60.033@0.71623707 0.71623707 (61.040287, 25565.492)(62.043133, 413.84668) 12 60.033 60.033@0.71623707 + 199.0332@0.8644473 0.8644473 (200.04044, 7405.5327)(201.04274, 572.19586) 15 199.0332 199.0332@0.8644473 + 187.168@0.9116317 0.9116317 (188.1749, 1333.5801) 2 187.168 187.168@0.9116317 + 108.0238@1.1944071 1.1944071 (109.031334, 1104.69) 3 108.0238 108.0238@1.1944071 + 131.0942@2.107368 2.107368 (132.10149, 18470.756)(133.10417, 1311.2839)(154.0826, 492.62) 5 131.0942 131.0942@2.107368 + 208.0947@3.556062 3.556062 (209.1019, 1292.37)(231.084, 447.82) 1 208.0947 208.0947@3.556062 + 298.1409@6.215479 6.215479 (299.1477, 506.36)(321.1303, 1209.18) 1 298.1409 298.1409@6.215479 + 1090.2716@8.011012 8.011012 (1091.2793, 1084.5425)(1092.2776, 596.9263)(1093.281, 416.18) 8 1090.2716 1090.2716@8.011012 + 969.0219@8.0122175 8.0122175 (970.029, 763.495)(971.0226, 918.7)(972.03107, 1014.71497)(973.0215, 733.22) 2 969.0219 969.0219@8.0122175 + 1092.5272@8.00512 8.00512 (1093.5336, 1177.6129)(1094.5273, 477.3483) 7 1092.5272 1092.5272@8.00512 + 874.0209@8.009555 8.009555 (875.027, 1196.9799)(876.024, 397.41) 16 874.0209 874.0209@8.009555 + 1091.144@8.014754 8.014754 (1092.1512, 1174.06) 1 1091.144 1091.144@8.014754 + 969.9057@8.008206 8.008206 (970.91315, 1328.3436)(971.91785, 457.65875)(972.9143, 872.4501) 14 969.9057 969.9057@8.008206 + 872.2203@8.009305 8.009305 (873.22626, 1347.2435)(874.2163, 341.49) 16 872.2203 872.2203@8.009305 + 313.2243@8.0967245 8.0967245 (314.23203, 1714.775)(315.2308, 492.5767) 8 313.2243 313.2243@8.0967245 + 471.295@8.087654 8.087654 (472.3023, 1270.7849)(473.3057, 431.43) 4 471.295 471.295@8.087654 + 872.9135@8.090081 8.090081 (873.92175, 1131.2921) 5 872.9135 872.9135@8.090081 + 836.5378@8.4127865 8.4127865 (837.5451, 1405.44)(838.5473, 632.91)(839.559, 989.74)(840.567, 372.96) 1 836.5378 836.5378@8.4127865 + 341.2557@9.239314 9.239314 (342.2631, 2039.6412)(343.26926, 485.09836) 8 341.2557 341.2557@9.239314 + 455.3233@9.326206 9.326206 (456.33014, 1331.53)(457.3347, 407.11) 2 455.3233 455.3233@9.326206 + 287.2816@9.543675 9.543675 (288.289, 1037.832) 5 287.2816 287.2816@9.543675 + 387.2973@9.804128 9.804128 (388.3046, 1804.54)(389.3078, 471.11) 1 387.2973 387.2973@9.804128 + 134.1088@10.53388 10.53388 (135.1162, 1689.1426) 4 134.1088 134.1088@10.53388 + 452.1593@10.644136 10.644136 (453.1667, 1196.558)(454.17007, 401.91333) 10 452.1593 452.1593@10.644136 + 369.2876@10.736735 10.736735 (370.2949, 1079.6) 1 369.2876 369.2876@10.736735 + 347.3182@10.818298 10.818298 (348.3254, 2423.03)(349.3285, 565.79) 1 347.3182 347.3182@10.818298 + 371.3034@10.955541 10.955541 (372.3107, 2036.67)(373.3147, 474.2) 1 371.3034 371.3034@10.955541 + 445.319@11.057851 11.057851 (446.32626, 2360.08)(447.3292, 733.9733) 3 445.319 445.319@11.057851 + 421.3192@11.084993 11.084993 (422.32635, 1674.15)(423.3296, 472.52002) 2 421.3192 421.3192@11.084993 + 421.3184@11.170924 11.170924 (422.3256, 1540.8768)(423.33008, 450.88333) 3 421.3184 421.3184@11.170924 + 449.3499@11.874336 11.874336 (450.35748, 1320.25)(451.36044, 455.84003) 2 449.3499 449.3499@11.874336 + 399.3338@11.896376 11.896376 (400.3412, 1953.8999)(401.3447, 519.385) 2 399.3338 399.3338@11.896376 + 391.3055@11.92741 11.92741 (392.3127, 2612.61)(393.3156, 336.9) 1 391.3055 391.3055@11.92741 + 423.3363@11.942306 11.942306 (424.3436, 1598.18)(425.3459, 480.11) 1 423.3363 423.3363@11.942306 + 383.3032@11.9681225 11.9681225 (384.3086, 280.66)(366.3001, 1429.49)(367.3016, 710.35) 1 383.3032 383.3032@11.9681225 + 323.2821@12.095209 12.095209 (324.2894, 1613.02)(325.2918, 392.77) 1 323.2821 323.2821@12.095209 + 389.2905@12.233188 12.233188 (390.2978, 3424.49)(391.2989, 1094.46) 1 389.2905 389.2905@12.233188 + 389.29@12.331442 12.331442 (390.2973, 2367.48)(391.2993, 702.5) 1 389.29 389.29@12.331442 + 604.4793@12.572546 12.572546 (605.4865, 1002.25)(606.4878, 383.93) 1 604.4793 604.4793@12.572546 + 371.3035@12.696533 12.696533 (372.3108, 7629.69)(373.314, 1620.18)(374.3031, 13486.2)(375.3059, 2782.35) 1 371.3035 371.3035@12.696533 + 745.5537@12.679873 12.679873 (746.5609, 1155.9441)(747.5624, 535.266) 5 745.5537 745.5537@12.679873 + 409.366@12.752071 12.752071 (410.3733, 7835.0)(411.377, 1918.35) 1 409.366 409.366@12.752071 + 578.5002@12.771906 12.771906 (579.5075, 1222.79)(580.5082, 507.1) 1 578.5002 578.5002@12.771906 + 325.2972@12.780284 12.780284 (326.30457, 2749.96)(327.30634, 644.245) 2 325.2972 325.2972@12.780284 + 596.51@12.779839 12.779839 (597.5173, 1038.33)(598.5202, 469.49) 1 596.51 596.51@12.779839 + 974.4521@12.826767 12.826767 (975.4599, 1243.9366)(976.4616, 374.01) 3 974.4521 974.4521@12.826767 + 409.3663@12.878997 12.878997 (410.3736, 3884.03)(411.3767, 937.43) 1 409.3663 409.3663@12.878997 + 326.2218@12.87834 12.87834 (327.2288, 3754.75)(328.2324, 859.76) 4 326.2218 326.2218@12.87834 + 321.2671@12.906786 12.906786 (322.27393, 13614.927)(323.27686, 2746.892)(324.2802, 996.65) 5 321.2671 321.2671@12.906786 + 702.5657@12.998957 12.998957 (703.573, 1309.26)(704.5773, 640.27) 1 702.5657 702.5657@12.998957 + 812.6668@13.071865 13.071865 (813.677, 2661.4648)(814.6686, 1468.3201)(815.6697, 677.17004) 2 812.6668 812.6668@13.071865 + 545.3454@13.006777 13.006777 (546.3528, 4914.92)(547.35583, 1536.465)(548.3585, 406.06) 2 545.3454 545.3454@13.006777 + 785.5941@12.989096 12.989096 (786.60095, 27627.186)(787.60406, 11397.953)(788.60925, 3970.5798)(789.61273, 1148.5175)(790.6128, 182.24)(808.5818, 6782.468)(809.5855, 3063.3699)(810.5957, 2439.48) 4 785.5941 785.5941@12.989096 + 238.2291@13.069127 13.069127 (239.23666, 5372.5737)(240.23994, 961.79407) 5 238.2291 238.2291@13.069127 + 344.2929@13.390353 13.390353 (345.2996, 5223.995)(346.3016, 1388.1901)(362.3265, 6873.2)(363.3293, 1547.5349)(367.28226, 21672.0)(368.2855, 4024.115)(369.2878, 800.72) 2 344.2929 344.2929@13.390353 + 702.5652@13.443876 13.443876 (703.5724, 1183.41)(704.5712, 552.38) 1 702.5652 702.5652@13.443876 + 551.3947@13.407608 13.407608 (552.40204, 12101.49)(553.40497, 3497.1118)(554.4067, 823.35)(574.3839, 4880.0073)(575.38727, 1449.46)(576.3919, 501.56) 5 551.3947 551.3947@13.407608 + 577.41@13.4156065 13.4156065 (578.4177, 1593.25)(579.42163, 623.02997)(600.4015, 682.86) 4 577.41 577.41@13.4156065 + 603.4263@13.412522 13.412522 (604.43317, 1157.3766)(605.4357, 453.54) 3 603.4263 603.4263@13.412522 + 812.6656@13.444867 13.444867 (813.6729, 4227.87)(814.6664, 2290.02)(815.6677, 1087.21) 1 812.6656 812.6656@13.444867 + 798.6584@13.446848 13.446848 (799.6657, 1218.12) 1 798.6584 798.6584@13.446848 + 768.6381@13.637377 13.637377 (769.6458, 1082.13)(770.64325, 535.1186) 7 768.6381 768.6381@13.637377 + 664.3394@13.805302 13.805302 (665.3467, 1404.97)(666.3573, 931.63) 1 664.3394 664.3394@13.805302 + 799.6087@14.055607 14.055607 (800.6165, 3481.0364)(801.6193, 1694.0566)(802.62305, 660.07666)(803.6233, 91.61)(822.60126, 1092.49)(823.6063, 496.94)(824.5844, 391.72) 3 799.6087 799.6087@14.055607 + 914.5909@14.12197 14.12197 (915.5954, 533.01)(932.6222, 462.45)(937.5816, 1264.52)(938.5823, 775.6) 1 914.5909 914.5909@14.12197 + 674.6698@14.282211 14.282211 (675.677, 78016.7)(676.6797, 33148.24)(677.6821, 6533.0)(678.685, 936.53) 1 674.6698 674.6698@14.282211 + 436.3525@15.467654 15.467654 (437.3594, 1362.1934)(438.36368, 431.7767) 3 436.3525 436.3525@15.467654 + 753.5301@16.004383 16.004383 (754.53723, 2981.2136)(755.5405, 1522.4863)(756.54645, 254.42001) 8 753.5301 753.5301@16.004383 + 817.5615@16.018692 16.018692 (818.5698, 3475.3071)(819.5727, 1814.4401)(820.5786, 786.646)(821.5816, 102.765) 7 817.5615 817.5615@16.018692 + 791.5461@16.057234 16.057234 (792.5537, 4921.8447)(793.55646, 2388.4536)(794.5631, 504.47873)(795.5647, 58.18) 11 791.5461 791.5461@16.057234 + 738.5195@16.059206 16.059206 (739.5268, 1087.51)(740.5299, 492.23) 1 738.5195 738.5195@16.059206 + 837.5981@16.219782 16.219782 (838.60645, 2079.1116)(839.60925, 1180.0256)(840.616, 643.536) 14 837.5981 837.5981@16.219782 + 779.5472@16.245752 16.245752 (780.555, 146780.84)(781.5577, 63920.484)(802.53613, 4107.981)(803.5414, 2021.5183)(804.5492, 779.82) 17 779.5472 779.5472@16.245752 + 815.5852@16.229074 16.229074 (816.59344, 1546.29)(817.5953, 954.6501)(818.572, 1177.18) 3 815.5852 815.5852@16.229074 + 817.5981@17.555231 17.555231 (818.60516, 6577.408)(819.60803, 3406.7102)(820.5887, 3874.8467) 12 817.5981 817.5981@17.555231 + 791.5817@17.595934 17.595934 (792.5893, 11566.383)(793.5922, 5316.2246)(794.59265, 1485.1185)(795.5915, 220.36499) 9 791.5817 791.5817@17.595934 + 839.6167@18.072273 18.072273 (840.6239, 695.855)(841.6278, 367.06)(842.63684, 1231.84)(843.64, 736.29)(844.6364, 178.13) 2 839.6167 839.6167@18.072273 + 1158.8232@18.144066 18.144066 (1159.8304, 1127.15)(1160.8347, 430.71) 1 1158.8232 1158.8232@18.144066 + 83.0372@0.7270109 0.7270109 (84.04447, 6270.8374)(85.04645, 371.7) 12 83.0372 83.0372@0.7270109 + 273.8738@0.86489147 0.86489147 (274.88107, 1689.0165) 15 273.8738 273.8738@0.86489147 + 379.7627@0.86616635 0.86616635 (380.7699, 1025.29) 1 379.7627 379.7627@0.86616635 + 507.7045@0.8671224 0.8671224 (508.71198, 1055.3932) 9 507.7045 507.7045@0.8671224 + 108.0211@0.9144606 0.9144606 (109.02833, 1214.2599) 3 108.0211 108.0211@0.9144606 + 80.0268@0.91470194 0.91470194 (81.03385, 1199.1371) 7 80.0268 80.0268@0.91470194 + 116.0478@0.9170867 0.9170867 (117.05555, 413.97498)(99.0441, 1606.5449) 2 116.0478 116.0478@0.9170867 + 260.104@1.4604287 1.4604287 (261.11105, 1159.325) 2 260.104 260.104@1.4604287 + 128.0445@1.4726045 1.4726045 (129.05185, 1945.9961) 5 128.0445 128.0445@1.4726045 + 260.1042@1.6162643 1.6162643 (261.11118, 2104.46)(262.1217, 532.515) 7 260.1042 260.1042@1.6162643 + 62.037@1.6162504 1.6162504 (63.044384, 1132.1616) 6 62.037 62.037@1.6162504 + 220.112@1.6196915 1.6196915 (221.11882, 1177.748) 5 220.112 220.112@1.6196915 + 132.0595@1.6216631 1.6216631 (133.06729, 1041.804)(115.05574, 1300.406) 5 132.0595 132.0595@1.6216631 + 290.062@2.8095634 2.8095634 (291.06924, 1156.1766) 3 290.062 290.062@2.8095634 + 117.0787@3.5414295 3.5414295 (118.08532, 461.33167)(100.07552, 7778.8223)(101.0775, 492.19) 6 117.0787 117.0787@3.5414295 + 205.0928@3.9096699 3.9096699 (206.09981, 10384.51)(207.1016, 1076.18) 3 205.0928 205.0928@3.9096699 + 299.1938@4.307843 4.307843 (300.2012, 10669.804)(301.20407, 1343.804) 11 299.1938 299.1938@4.307843 + 874.5184@8.007986 8.007986 (875.5247, 1162.4401) 7 874.5184 874.5184@8.007986 + 872.7163@8.093308 8.093308 (873.72296, 1328.0416) 6 872.7163 872.7163@8.093308 + 1130.5393@8.421411 8.421411 (1131.5447, 1625.26) 2 1130.5393 1130.5393@8.421411 + 989.3445@8.425332 8.425332 (990.3517, 1517.98) 1 989.3445 989.3445@8.425332 + 1130.3928@8.420414 8.420414 (1131.4003, 1121.71) 2 1130.3928 1130.3928@8.420414 + 879.1955@8.425332 8.425332 (880.2028, 1430.05) 1 879.1955 879.1955@8.425332 + 879.4156@8.4263315 8.4263315 (880.4228, 1443.52) 1 879.4156 879.4156@8.4263315 + 879.3077@8.4263315 8.4263315 (880.315, 1512.72) 1 879.3077 879.3077@8.4263315 + 879.5299@8.4249 8.4249 (880.5371, 1164.75) 2 879.5299 879.5299@8.4249 + 1130.8239@8.423904 8.423904 (1131.8296, 1123.52) 2 1130.8239 1130.8239@8.423904 + 989.2214@8.423905 8.423905 (990.2279, 1214.89) 2 989.2214 989.2214@8.423905 + 989.0959@8.429328 8.429328 (990.1031, 1150.0) 1 989.0959 989.0959@8.429328 + 208.1823@10.0920725 10.0920725 (209.1897, 6857.333)(210.19254, 1037.3301)(191.17897, 5184.39)(192.18271, 789.5525)(226.2152, 461.83) 4 208.1823 208.1823@10.0920725 + 243.219@10.108061 10.108061 (244.22665, 2892.6948)(245.2298, 464.62) 2 243.219 243.219@10.108061 + 152.1196@10.088215 10.088215 (153.12697, 5420.85)(154.13023, 599.72003)(135.116, 2087.51) 3 152.1196 152.1196@10.088215 + 243.22@10.185206 10.185206 (244.22694, 2011.985)(245.2298, 361.48) 2 243.22 243.22@10.185206 + 208.1823@10.169591 10.169591 (209.18967, 4172.5054)(210.1927, 656.0275)(191.17876, 3460.4524)(192.18248, 608.06) 4 208.1823 208.1823@10.169591 + 152.1196@10.16984 10.16984 (153.12708, 3230.305)(154.1305, 491.95)(135.11615, 1430.6426) 4 152.1196 152.1196@10.16984 + 394.2689@12.0605955 12.0605955 (395.27637, 5201.6997)(396.28055, 1227.5133) 3 394.2689 394.2689@12.0605955 + 677.4357@12.688339 12.688339 (678.4401, 6523.6333)(679.44305, 2194.1467)(680.44556, 502.265) 3 677.4357 677.4357@12.688339 + 807.5657@12.669428 12.669428 (808.573, 1864.99)(809.5752, 895.09) 1 807.5657 807.5657@12.669428 + 523.3635@12.883467 12.883467 (524.37054, 10923.034)(525.3738, 2985.8381)(526.3781, 551.862)(546.3526, 2458.224)(547.356, 938.346) 7 523.3635 523.3635@12.883467 + 286.2292@12.941525 12.941525 (287.23587, 458.35165)(269.22583, 4473.948)(270.2293, 927.44336) 6 286.2292 286.2292@12.941525 + 845.5399@13.019365 13.019365 (846.5448, 659.85)(847.5514, 390.58)(848.5659, 502.05)(828.5354, 666.04)(868.5318, 1046.62)(869.5343, 587.78) 1 845.5399 845.5399@13.019365 + 869.5419@13.30754 13.30754 (870.5468, 1199.33)(871.5499, 579.61)(872.56, 893.51)(873.5646, 218.68)(852.5412, 1029.94)(853.5444, 477.66)(854.5515, 738.35)(855.5588, 318.77) 1 869.5419 869.5419@13.30754 + 677.4618@13.404002 13.404002 (678.4695, 3508.7334)(679.4734, 765.155)(700.4507, 1183.93)(701.4562, 627.73)(702.4657, 609.31) 3 677.4618 677.4618@13.404002 + 845.542@13.4098625 13.4098625 (846.5493, 1156.25)(847.5531, 531.91)(848.5612, 544.23) 1 845.542 845.542@13.4098625 + 869.5433@13.43867 13.43867 (870.5506, 894.32)(871.5536, 494.88)(872.5613, 1160.64) 1 869.5433 869.5433@13.43867 + 789.5519@13.585666 13.585666 (790.5592, 3590.08)(791.5609, 1589.53)(792.5659, 517.08) 1 789.5519 789.5519@13.585666 + 963.7055@13.687465 13.687465 (964.7116, 1804.82)(965.7158, 926.9367)(966.7176, 511.16) 3 963.7055 963.7055@13.687465 + 837.5578@13.724688 13.724688 (838.5651, 1672.84)(839.5681, 858.55) 1 837.5578 837.5578@13.724688 + 606.2445@13.718523 13.718523 (607.2519, 2203.395)(608.25415, 778.49) 2 606.2445 606.2445@13.718523 + 440.3475@13.862872 13.862872 (441.3545, 3549.2969)(442.3575, 962.07) 3 440.3475 440.3475@13.862872 + 787.5685@14.056288 14.056288 (788.5742, 2162.13)(789.56506, 1311.8)(790.5543, 780.16003)(791.5595, 49.15) 2 787.5685 787.5685@14.056288 + 575.4573@14.072941 14.072941 (576.4644, 1311.4434)(577.46796, 490.93002) 3 575.4573 575.4573@14.072941 + 801.5396@14.798561 14.798561 (802.55066, 1272.3201)(803.5502, 734.93) 2 801.5396 801.5396@14.798561 + 789.5523@14.840766 14.840766 (790.5596, 2086.99)(791.5623, 1109.11)(792.564, 394.29) 1 789.5523 789.5523@14.840766 + 773.5576@14.834891 14.834891 (774.57263, 1834.475)(775.5856, 701.34) 2 773.5576 773.5576@14.834891 + 875.547@14.892382 14.892382 (876.5553, 1790.9539)(877.55884, 999.085)(878.56525, 651.56) 5 875.547 875.547@14.892382 + 815.5671@15.188578 15.188578 (816.5744, 2318.96)(817.5764, 1302.88)(818.5864, 358.69) 1 815.5671 815.5671@15.188578 + 825.5319@15.334243 15.334243 (826.53845, 1696.145)(827.5404, 1157.77)(828.551, 386.53) 2 825.5319 825.5319@15.334243 + 852.5534@15.492344 15.492344 (853.55756, 1506.14) 2 852.5534 852.5534@15.492344 + 780.5493@15.555986 15.555986 (781.5566, 11005.21)(782.5609, 1710.08) 1 780.5493 780.5493@15.555986 + 801.5739@15.979553 15.979553 (802.5812, 1887.3)(803.5955, 1321.09) 1 801.5739 801.5739@15.979553 + 789.5667@15.995572 15.995572 (790.5743, 3076.1875)(791.5765, 1630.3625) 4 789.5667 789.5667@15.995572 + 803.5446@17.008507 17.008507 (804.552, 4286.495)(805.55615, 2113.7883) 6 803.5446 803.5446@17.008507 + 645.5321@17.09705 17.09705 (646.5396, 1849.5701)(647.54346, 812.15) 2 645.5321 645.5321@17.09705 + 715.5516@17.14564 17.14564 (716.5589, 1063.53)(717.5636, 523.93) 1 715.5516 715.5516@17.14564 + 715.5168@18.272259 18.272259 (716.52374, 1357.6376)(717.52734, 776.3233) 4 715.5168 715.5168@18.272259 + 847.6076@19.489967 19.489967 (848.61414, 4543.31)(849.6168, 2357.925)(850.6203, 994.46) 2 847.6076 847.6076@19.489967 + 837.6185@19.570759 19.570759 (838.6258, 3792.89)(839.6312, 1532.64)(840.6317, 505.37) 1 837.6185 837.6185@19.570759 + 797.5924@19.638512 19.638512 (798.5996, 4403.35)(799.6039, 2431.81)(800.6102, 1010.73) 1 797.5924 797.5924@19.638512 + 861.6227@19.720566 19.720566 (862.6303, 1214.3301)(863.6336, 657.81)(864.641, 462.66) 3 861.6227 861.6227@19.720566 + 717.5677@19.684875 19.684875 (718.575, 1744.1699)(719.57715, 823.66504)(720.5623, 609.56) 3 717.5677 717.5677@19.684875 + 769.5962@19.683487 19.683487 (770.60315, 4779.59)(771.6072, 2481.86) 2 769.5962 769.5962@19.683487 + 819.614@19.670341 19.670341 (820.6212, 14584.08)(821.6241, 7025.225)(822.62836, 2597.3525)(823.63196, 673.685) 4 819.614 819.614@19.670341 + 853.619@19.736683 19.736683 (854.6262, 4085.03)(855.6293, 2051.76)(856.6297, 677.38) 1 853.619 853.619@19.736683 + 743.5825@19.748463 19.748463 (744.5898, 15077.19)(745.5927, 6279.24)(746.5819, 3026.83)(747.5801, 1002.35)(748.5762, 204.15) 1 743.5825 743.5825@19.748463 + 69.0584@0.8300068 0.8300068 (70.0656, 1511.33) 1 69.0584 69.0584@0.8300068 + 141.9325@0.83649457 0.83649457 (142.93965, 1550.0449)(164.92206, 3628.535) 2 141.9325 141.9325@0.83649457 + 517.733@0.864439 0.864439 (518.7398, 1027.8066) 3 517.733 517.733@0.864439 + 441.7138@0.8665752 0.8665752 (442.72202, 1050.0701) 6 441.7138 441.7138@0.8665752 + 343.0897@0.88700765 0.88700765 (344.0968, 1319.03)(366.0791, 1086.79) 1 343.0897 343.0897@0.88700765 + 109.0637@0.8928622 0.8928622 (110.07112, 1487.795) 10 109.0637 109.0637@0.8928622 + 61.0553@0.90098643 0.90098643 (62.060448, 1516.395)(84.0447, 12128.22) 2 61.0553 61.0553@0.90098643 + 102.0319@0.911008 0.911008 (103.0399, 625.63)(120.0655, 2416.68) 1 102.0319 102.0319@0.911008 + 103.0997@1.0200096 1.0200096 (104.107, 19072.49)(105.11, 1157.14) 1 103.0997 103.0997@1.0200096 + 74.048@1.1265314 1.1265314 (75.05508, 2201.38) 4 74.048 74.048@1.1265314 + 54.0472@1.1790125 1.1790125 (55.0545, 1058.56) 1 54.0472 54.0472@1.1790125 + 218.0925@1.2230134 1.2230134 (219.0998, 1179.96) 1 218.0925 218.0925@1.2230134 + 410.1395@1.2696855 1.2696855 (411.14618, 2094.1475)(412.1491, 515.49) 4 410.1395 410.1395@1.2696855 + 244.0691@1.2794803 1.2794803 (245.07744, 938.4975)(267.0582, 2385.615) 4 244.0691 244.0691@1.2794803 + 100.0522@1.298496 1.298496 (101.059555, 1383.765) 2 100.0522 100.0522@1.298496 + 228.1465@1.5732808 1.5732808 (229.15398, 3913.6667)(230.15639, 626.69635) 17 228.1465 228.1465@1.5732808 + 193.1096@1.6588273 1.6588273 (194.11703, 1267.3888)(195.12154, 308.44427) 9 193.1096 193.1096@1.6588273 + 130.0413@3.3650084 3.3650084 (131.04865, 2505.23) 2 130.0413 130.0413@3.3650084 + 555.1752@3.367141 3.367141 (556.18243, 1401.344)(557.18616, 391.79333)(578.1637, 611.29254) 5 555.1752 555.1752@3.367141 + 275.1724@3.5263062 3.5263062 (276.1798, 1166.3099) 3 275.1724 275.1724@3.5263062 + 666.187@3.906112 3.906112 (667.1942, 1124.04) 1 666.187 666.187@3.906112 + 238.1416@3.9661152 3.9661152 (239.1493, 2162.65)(256.1748, 1191.14) 1 238.1416 238.1416@3.9661152 + 275.1722@4.121052 4.121052 (276.18, 1265.525) 2 275.1722 275.1722@4.121052 + 252.1562@4.7181582 4.7181582 (253.1633, 899.63)(270.1901, 1277.54) 1 252.1562 252.1562@4.7181582 + 830.8491@5.035574 5.035574 (831.85645, 4943.5)(832.85846, 2712.91) 3 830.8491 830.8491@5.035574 + 481.7829@5.1438007 5.1438007 (482.7894, 16078.795)(483.7933, 2226.9) 2 481.7829 481.7829@5.1438007 + 250.0946@5.1578817 5.1578817 (251.10193, 2843.5151)(252.1057, 682.08) 4 250.0946 250.0946@5.1578817 + 303.2041@5.8215613 5.8215613 (304.21127, 1495.1066) 3 303.2041 303.2041@5.8215613 + 308.2191@6.6602955 6.6602955 (309.2253, 1036.33)(326.2541, 1125.48) 1 308.2191 308.2191@6.6602955 + 308.2193@6.753303 6.753303 (309.2267, 3395.77)(310.2292, 654.89)(326.253, 2484.05)(327.2559, 430.36) 1 308.2193 308.2193@6.753303 + 513.2746@6.76558 6.76558 (514.28253, 527.14)(496.2717, 1537.87)(497.2755, 449.56)(531.3075, 862.315) 2 513.2746 513.2746@6.76558 + 495.2653@6.7693043 6.7693043 (496.2726, 1167.84)(497.2745, 396.16) 1 495.2653 495.2653@6.7693043 + 104.0269@6.800357 6.800357 (105.033775, 1333.043) 10 104.0269 104.0269@6.800357 + 545.3011@7.010324 7.010324 (546.3084, 1052.04) 1 545.3011 545.3011@7.010324 + 481.2853@7.098372 7.098372 (482.29205, 832.61)(464.28198, 2140.925)(465.28415, 826.81) 4 481.2853 481.2853@7.098372 + 331.2343@7.3003483 7.3003483 (332.2416, 1147.09) 1 331.2343 331.2343@7.3003483 + 514.3063@7.3713536 7.3713536 (515.3136, 1330.91)(516.3156, 549.79) 1 514.3063 514.3063@7.3713536 + 463.275@7.903216 7.903216 (464.28223, 1169.11) 2 463.275 463.275@7.903216 + 488.2403@8.027161 8.027161 (489.2469, 1132.0325)(490.2496, 378.93) 4 488.2403 488.2403@8.027161 + 499.2952@8.097245 8.097245 (500.30298, 1600.155)(501.30646, 488.5) 2 499.2952 499.2952@8.097245 + 476.165@8.897889 8.897889 (477.1718, 3842.025)(478.1762, 1032.445) 2 476.165 476.165@8.897889 + 471.2105@8.898389 8.898389 (472.21747, 18199.121)(473.22003, 4055.165)(474.2223, 772.185) 2 471.2105 471.2105@8.898389 + 389.2411@8.8994255 8.8994255 (390.2486, 1817.8674)(391.2532, 535.005) 4 389.2411 389.2411@8.8994255 + 462.186@9.345487 9.345487 (463.1927, 3739.975)(464.1969, 933.83) 2 462.186 462.186@9.345487 + 372.2977@10.390675 10.390675 (373.30545, 1132.2782)(374.31, 375.755) 11 372.2977 372.2977@10.390675 + 148.052@10.573114 10.573114 (149.0593, 1114.8538) 8 148.052 148.052@10.573114 + 103.0994@10.980678 10.980678 (104.10669, 2975.8145) 23 103.0994 103.0994@10.980678 + 278.1515@10.972958 10.972958 (579.2918, 6923.815)(580.2951, 2399.85)(581.3003, 614.69)(279.15887, 12916.18)(280.16196, 2049.3599)(301.14056, 3942.2397)(302.14453, 729.83) 2 278.1515 278.1515@10.972958 + 166.0263@10.972958 10.972958 (167.03351, 9197.6455)(168.03699, 745.475)(149.0229, 13055.255)(150.02585, 1019.395) 2 166.0263 166.0263@10.972958 + 558.3147@10.981698 10.981698 (559.322, 1580.69) 1 558.3147 558.3147@10.981698 + 146.0575@10.989488 10.989488 (147.06445, 658.8843)(129.05421, 1524.5751) 14 146.0575 146.0575@10.989488 + 266.1643@11.378518 11.378518 (267.17154, 3231.036)(268.17484, 614.0514)(289.1536, 357.2) 12 266.1643 266.1643@11.378518 + 234.1611@11.439699 11.439699 (235.16832, 1243.9355) 9 234.1611 234.1611@11.439699 + 248.1772@11.4720125 11.4720125 (249.1844, 1078.548) 5 248.1772 248.1772@11.4720125 + 521.3452@11.580414 11.580414 (522.35284, 3199.7349)(523.3556, 955.0) 2 521.3452 521.3452@11.580414 + 598.4307@11.597625 11.597625 (599.4388, 1098.6576)(600.4422, 399.75333) 12 598.4307 598.4307@11.597625 + 1017.6401@11.591391 11.591391 (1018.6414, 2360.4434)(1019.6436, 765.6175) 16 1017.6401 1017.6401@11.591391 + 342.1461@11.652019 11.652019 (343.15335, 1135.2606)(344.1586, 371.29)(360.1802, 803.0974)(365.13562, 1234.92)(366.1376, 377.72336) 16 342.1461 342.1461@11.652019 + 276.1717@11.695025 11.695025 (277.17953, 1125.7999) 3 276.1717 276.1717@11.695025 + 162.0676@11.709672 11.709672 (163.0749, 1186.342) 15 162.0676 162.0676@11.709672 + 90.0469@11.80527 11.80527 (91.05417, 1550.4233) 3 90.0469 90.0469@11.80527 + 148.0155@11.92613 11.92613 (149.023, 2281.7349) 2 148.0155 148.0155@11.92613 + 278.1513@11.965388 11.965388 (279.15866, 4216.398)(280.1614, 728.23663)(301.1406, 1843.1718)(302.1429, 385.34) 6 278.1513 278.1513@11.965388 + 401.2777@12.123913 12.123913 (402.2851, 1472.3)(403.2878, 442.16) 4 401.2777 401.2777@12.123913 + 260.2345@12.218634 12.218634 (261.24203, 2172.5015)(262.24548, 425.09247)(278.26837, 1753.3466)(279.2705, 360.66)(283.22372, 776.78925) 14 260.2345 260.2345@12.218634 + 376.2577@12.618346 12.618346 (377.26575, 1896.03)(378.2699, 646.25) 2 376.2577 376.2577@12.618346 + 376.2587@12.721519 12.721519 (377.26596, 3473.8103)(378.2694, 1032.865) 3 376.2587 376.2587@12.721519 + 547.2925@12.816353 12.816353 (548.3, 5192.659)(549.3031, 1818.3881)(550.30695, 1104.1) 24 547.2925 547.2925@12.816353 + 553.1673@13.150058 13.150058 (554.17474, 1800.1805)(555.17596, 910.7053)(556.1743, 665.4493) 15 553.1673 553.1673@13.150058 + 512.3787@13.669852 13.669852 (513.3864, 2010.34)(514.38904, 591.5667) 22 512.3787 512.3787@13.669852 + 812.6719@13.773034 13.773034 (813.6759, 3254.4802)(814.67725, 1845.2975)(815.67914, 803.20746) 4 812.6719 812.6719@13.773034 + 810.6423@18.26747 18.26747 (811.6496, 1738.59)(812.6443, 539.67) 1 810.6423 810.6423@18.26747 + 94.0524@0.833306 0.833306 (95.06012, 844.7412)(112.086395, 1567.1176) 8 94.0524 94.0524@0.833306 + 942.9819@0.84500164 0.84500164 (943.9891, 4148.2236)(944.99194, 568.8367) 16 942.9819 942.9819@0.84500164 + 447.1356@0.8981116 0.8981116 (448.1429, 3948.44)(449.1448, 661.0) 1 447.1356 447.1356@0.8981116 + 96.0213@0.91620517 0.91620517 (97.02851, 2738.3079) 24 96.0213 96.0213@0.91620517 + 223.087@0.9225513 0.9225513 (224.094, 1488.2151) 2 223.087 223.087@0.9225513 + 139.0609@0.9489145 0.9489145 (140.0682, 46745.586)(141.07098, 2231.72) 4 139.0609 139.0609@0.9489145 + 113.0588@1.1036314 1.1036314 (114.06628, 3611.32)(115.0629, 335.82)(116.0702, 1592.46) 4 113.0588 113.0588@1.1036314 + 99.1047@1.2708598 1.2708598 (100.11194, 4433.937)(101.11492, 472.09335) 6 99.1047 99.1047@1.2708598 + 136.038@1.5617732 1.5617732 (137.0455, 2292.0566)(159.02708, 1732.8416) 9 136.038 136.038@1.5617732 + 203.1158@1.6182925 1.6182925 (204.1231, 8966.23)(205.127, 841.79) 1 203.1158 203.1158@1.6182925 + 90.0467@4.571832 4.571832 (91.054, 1348.48) 1 90.0467 90.0467@4.571832 + 298.0684@4.5974655 4.5974655 (299.07535, 885.02747)(316.102, 6133.8174)(317.10468, 935.635)(321.0577, 1385.22) 4 298.0684 298.0684@4.5974655 + 339.0189@6.3233666 6.3233666 (340.0268, 1296.7474) 4 339.0189 339.0189@6.3233666 + 1091.0178@7.7972603 7.7972603 (1092.0238, 1081.56) 3 1091.0178 1091.0178@7.7972603 + 969.1289@7.8020973 7.8020973 (970.1361, 1455.605) 2 969.1289 969.1289@7.8020973 + 551.3211@8.300565 8.300565 (552.3284, 1869.0067)(553.3316, 567.02) 3 551.3211 551.3211@8.300565 + 533.3113@9.396043 9.396043 (534.318, 2082.5034)(535.3219, 679.69) 3 533.3113 533.3113@9.396043 + 436.1851@10.311815 10.311815 (437.19284, 1970.8501)(438.19666, 585.32623) 8 436.1851 436.1851@10.311815 + 723.4066@11.445409 11.445409 (724.4139, 1164.57)(725.4154, 482.68)(726.4189, 808.89)(727.4184, 90.82) 1 723.4066 723.4066@11.445409 + 737.4123@11.45436 11.45436 (738.4196, 1551.14)(739.4216, 650.96) 1 737.4123 737.4123@11.45436 + 607.3489@11.465301 11.465301 (608.3561, 1762.27)(609.3591, 628.56) 1 607.3489 607.3489@11.465301 + 1014.6533@11.618452 11.618452 (1015.6606, 1020.15)(1016.6618, 419.52) 1 1014.6533 1014.6533@11.618452 + 581.3693@11.737286 11.737286 (582.37555, 3247.8499)(583.3791, 1038.4)(584.3785, 418.36) 3 581.3693 581.3693@11.737286 + 689.389@11.812391 11.812391 (690.3967, 1176.5)(691.4011, 532.725) 2 689.389 689.389@11.812391 + 705.4189@11.789838 11.789838 (706.42584, 1888.17)(707.4299, 862.6667)(708.41547, 645.32495) 3 705.4189 705.4189@11.789838 + 671.3804@11.836194 11.836194 (672.3877, 1257.73)(673.3926, 476.21) 1 671.3804 671.3804@11.836194 + 657.3622@11.860053 11.860053 (658.3695, 1246.19)(659.373, 456.97) 1 657.3622 657.3622@11.860053 + 636.3828@11.87397 11.87397 (637.3901, 7950.89)(638.3966, 2088.3)(639.4025, 571.01) 1 636.3828 636.3828@11.87397 + 651.3801@11.900913 11.900913 (652.3867, 4681.78)(653.38794, 1484.8201)(654.39496, 1520.395)(655.3992, 609.15)(656.4066, 329.68) 2 651.3801 651.3801@11.900913 + 665.3905@11.906592 11.906592 (666.39746, 9209.74)(667.4003, 2997.0999)(668.4036, 859.68)(688.38025, 575.16504) 3 665.3905 665.3905@11.906592 + 647.381@12.05487 12.05487 (648.3882, 35869.41)(649.3916, 10685.59)(650.3981, 3132.7) 1 647.381 647.381@12.05487 + 627.3513@12.100299 12.100299 (628.3586, 1383.635)(629.3605, 489.605) 2 627.3513 627.3513@12.100299 + 697.3991@12.130399 12.130399 (698.4063, 1079.01)(699.397, 604.12)(700.4005, 454.82) 1 697.3991 697.3991@12.130399 + 639.4104@12.193439 12.193439 (640.41724, 4786.62)(641.4199, 1455.62) 2 639.4104 639.4104@12.193439 + 685.4269@12.2575865 12.2575865 (686.4342, 1192.68)(687.4368, 438.4) 1 685.4269 685.4269@12.2575865 + 767.4547@12.355944 12.355944 (768.4619, 1710.92)(769.4699, 717.98)(770.4593, 1902.2)(771.4634, 989.26)(772.4729, 1550.18) 1 767.4547 767.4547@12.355944 + 719.4368@12.390714 12.390714 (720.4449, 921.94)(702.4334, 5788.8)(703.4376, 1930.66)(704.4431, 1603.89)(705.4464, 403.91) 1 719.4368 719.4368@12.390714 + 1160.7749@12.480114 12.480114 (1161.7821, 1008.03)(1162.7751, 481.21) 1 1160.7749 1160.7749@12.480114 + 877.5292@12.503951 12.503951 (878.5364, 7503.02)(879.5406, 3631.66) 1 877.5292 877.5292@12.503951 + 697.4305@12.6161785 12.6161785 (698.4388, 813.9)(680.427, 2506.53)(681.4357, 970.47)(682.4248, 1797.92)(683.4281, 563.18) 1 697.4305 697.4305@12.6161785 + 683.415@12.628096 12.628096 (684.4223, 1673.11)(685.4242, 580.72) 1 683.415 683.415@12.628096 + 707.4782@12.664162 12.664162 (708.48706, 1425.85)(709.49146, 607.66) 3 707.4782 707.4782@12.664162 + 759.4667@12.656895 12.656895 (760.474, 1393.56)(761.4755, 767.78) 1 759.4667 759.4667@12.656895 + 755.4722@12.714489 12.714489 (756.4795, 1755.8)(757.4822, 779.65) 1 755.4722 755.4722@12.714489 + 755.4743@12.901914 12.901914 (756.48065, 1742.405)(757.4834, 911.575) 2 755.4743 755.4743@12.901914 + 659.4162@12.899154 12.899154 (660.4235, 3362.92)(661.4265, 1358.27) 1 659.4162 659.4162@12.899154 + 701.4588@12.899154 12.899154 (702.4661, 1180.4)(703.4714, 832.17) 1 701.4588 701.4588@12.899154 + 809.4993@12.994446 12.994446 (810.5066, 2510.62)(811.5106, 1220.27) 1 809.4993 809.4993@12.994446 + 734.4917@13.11652 13.11652 (735.499, 1298.79)(736.4928, 160.13) 1 734.4917 734.4917@13.11652 + 705.457@13.1671295 13.1671295 (706.4643, 1142.68)(707.4681, 673.33)(708.478, 516.63) 1 705.457 705.457@13.1671295 + 397.753@13.257424 13.257424 (398.7603, 1131.97) 1 397.753 397.753@13.257424 + 735.5111@13.295125 13.295125 (736.5184, 1166.01)(737.5208, 525.26) 1 735.5111 735.5111@13.295125 + 705.4874@13.381435 13.381435 (706.4947, 1289.46)(707.4998, 800.63) 1 705.4874 705.4874@13.381435 + 817.5264@13.4022665 13.4022665 (818.5337, 2160.31)(819.5405, 461.65)(820.5314, 1091.14)(821.5382, 580.02) 1 817.5264 817.5264@13.4022665 + 607.4151@13.40425 13.40425 (608.4224, 1204.92)(609.4255, 486.71) 1 607.4151 607.4151@13.40425 + 793.5046@13.4131775 13.4131775 (794.5119, 744.91)(795.5087, 499.56)(796.5123, 10014.79) 1 793.5046 793.5046@13.4131775 + 796.509@13.416154 13.416154 (797.5163, 4248.52) 1 796.509 796.509@13.416154 + 739.5114@13.892117 13.892117 (740.5186, 1054.35)(741.5211, 805.63) 1 739.5114 739.5114@13.892117 + 384.3382@13.986276 13.986276 (385.3455, 3427.42)(386.3485, 1029.13) 1 384.3382 384.3382@13.986276 + 366.3273@13.99024 13.99024 (367.3346, 1489.75)(368.3383, 497.04) 1 366.3273 366.3273@13.99024 + 908.5379@16.051857 16.051857 (909.54486, 1345.0925)(910.54816, 696.50696) 23 908.5379 908.5379@16.051857 + 688.5516@17.548862 17.548862 (689.5585, 1979.9398)(690.56146, 1080.08) 7 688.5516 688.5516@17.548862 + 546.3912@18.084433 18.084433 (547.3985, 1119.59)(548.3987, 437.18) 1 546.3912 546.3912@18.084433 + 368.3443@18.225119 18.225119 (369.35165, 9276.13)(370.35486, 2631.15)(371.3572, 473.78) 2 368.3443 368.3443@18.225119 + 285.1312@1.3140013 1.3140013 (286.1385, 1247.74) 1 285.1312 285.1312@1.3140013 + 194.1062@3.9582348 3.9582348 (195.11398, 3413.645) 4 194.1062 194.1062@3.9582348 + 196.1206@4.581821 4.581821 (197.12787, 1555.06) 3 196.1206 196.1206@4.581821 + 831.3511@5.035843 5.035843 (832.3581, 6044.3535)(833.3588, 1040.8866) 3 831.3511 831.3511@5.035843 + 532.3168@7.1275587 7.1275587 (533.32404, 2358.59)(534.32715, 740.912) 5 532.3168 532.3168@7.1275587 + 838.5569@8.104713 8.104713 (839.5628, 2013.79)(840.5645, 1037.5133) 3 838.5569 838.5569@8.104713 + 873.4243@8.27071 8.27071 (874.4316, 1049.51) 1 873.4243 873.4243@8.27071 + 873.5251@8.287708 8.287708 (874.5324, 1328.6) 1 873.5251 873.5251@8.287708 + 970.2543@8.295015 8.295015 (971.2593, 1282.435)(972.2516, 1066.305) 2 970.2543 970.2543@8.295015 + 968.4704@8.299015 8.299015 (969.47754, 3473.185)(970.4717, 566.485)(971.48047, 2379.2349)(972.4724, 389.675) 2 968.4704 968.4704@8.299015 + 1089.4048@8.297516 8.297516 (1090.4127, 3179.56)(1091.4076, 1788.325)(1092.417, 887.375) 2 1089.4048 1089.4048@8.297516 + 968.5815@8.298515 8.298515 (969.5897, 4657.24)(970.5825, 474.86)(971.5894, 2399.225)(972.5896, 396.3) 2 968.5815 968.5815@8.298515 + 1091.7811@8.297708 8.297708 (1092.7885, 4122.87)(1093.7856, 943.36) 1 1091.7811 1091.7811@8.297708 + 1092.0316@8.299015 8.299015 (1093.0387, 4062.185)(1094.0345, 436.925) 2 1092.0316 1092.0316@8.299015 + 1091.9055@8.298707 8.298707 (1092.9128, 4500.56)(1093.9081, 679.83) 1 1091.9055 1091.9055@8.298707 + 1089.778@8.298016 8.298016 (1090.7852, 7942.5547)(1091.7805, 601.61)(1092.7896, 4163.06)(1093.7817, 728.33) 2 1089.778 1089.778@8.298016 + 970.6935@8.297516 8.297516 (971.70056, 2535.79)(972.69464, 366.69) 2 970.6935 970.6935@8.297516 + 1090.1526@8.298515 8.298515 (1091.1599, 3956.08) 2 1090.1526 1090.1526@8.298515 + 968.8018@8.298707 8.298707 (969.809, 4646.89) 1 968.8018 968.8018@8.298707 + 1092.1556@8.299707 8.299707 (1093.1628, 3583.25) 1 1092.1556 1092.1556@8.299707 + 1089.653@8.299516 8.299516 (1090.6606, 7007.575)(1091.6553, 665.53503)(1092.6646, 3133.64)(1093.6606, 1164.2) 2 1089.653 1089.653@8.299516 + 968.3596@8.299516 8.299516 (969.3667, 2053.165)(970.3618, 876.515)(971.3701, 1995.545)(972.3668, 706.27) 2 968.3596 968.3596@8.299516 + 1092.528@8.299707 8.299707 (1093.5353, 1447.49) 1 1092.528 1092.528@8.299707 + 1089.9027@8.299015 8.299015 (1090.9098, 6620.335)(1091.904, 400.19)(1092.914, 4214.52)(1093.9082, 783.98) 2 1089.9027 1089.9027@8.299015 + 1089.5283@8.298515 8.298515 (1090.5364, 5156.04)(1091.5326, 986.405)(1092.5427, 1965.65) 2 1089.5283 1089.5283@8.298515 + 969.1335@8.298515 8.298515 (970.14056, 1830.47)(971.15015, 584.36)(972.14197, 1176.16) 2 969.1335 969.1335@8.298515 + 792.4759@8.299707 8.299707 (793.4832, 2485.74) 1 792.4759 792.4759@8.299707 + 792.3863@8.299707 8.299707 (793.3936, 1948.4) 1 792.3863 792.3863@8.299707 + 871.526@8.300707 8.300707 (872.5333, 1387.4) 1 871.526 871.526@8.300707 + 968.9127@8.300515 8.300515 (969.92053, 3592.32) 2 968.9127 968.9127@8.300515 + 971.0261@8.299515 8.299515 (972.0326, 1429.5701) 2 971.0261 971.0261@8.299515 + 1090.0272@8.299015 8.299015 (1091.0352, 5619.875) 2 1090.0272 1090.0272@8.299015 + 969.2473@8.300707 8.300707 (970.2546, 1012.11) 1 969.2473 969.2473@8.300707 + 871.9225@8.300707 8.300707 (872.9298, 3093.38) 1 871.9225 871.9225@8.300707 + 1092.4028@8.298515 8.298515 (1093.4099, 2177.0) 2 1092.4028 1092.4028@8.298515 + 1090.275@8.300515 8.300515 (1091.2822, 2723.7651)(1092.2839, 338.63)(1093.2878, 2505.19) 2 1090.275 1090.275@8.300515 + 792.6576@8.301706 8.301706 (793.6649, 2491.71) 1 792.6576 792.6576@8.301706 + 872.2207@8.301516 8.301516 (873.2267, 1189.335)(874.2323, 515.675)(875.2261, 601.77) 2 872.2207 872.2207@8.301516 + 214.1561@8.840127 8.840127 (215.16347, 1944.3875)(216.1665, 469.63)(232.1901, 1439.57)(237.14499, 692.63) 4 214.1561 214.1561@8.840127 + 106.0631@8.8441305 8.8441305 (107.069824, 2402.3767)(89.0623, 738.78503) 6 106.0631 106.0631@8.8441305 + 128.047@10.989628 10.989628 (129.05405, 1754.415) 2 128.047 128.047@10.989628 + 581.2859@11.080229 11.080229 (582.2931, 1138.13)(583.2989, 385.45) 1 581.2859 581.2859@11.080229 + 533.2879@11.376256 11.376256 (534.2951, 1057.7968)(535.298, 403.15) 3 533.2879 533.2879@11.376256 + 103.0995@12.487604 12.487604 (104.106735, 1431.488) 10 103.0995 103.0995@12.487604 + 636.2974@12.889651 12.889651 (637.30365, 1263.7301)(638.3082, 465.39)(654.33093, 8084.3667)(655.3339, 2687.0369)(656.33844, 560.56665)(659.2864, 521.305) 3 636.2974 636.2974@12.889651 + 368.2327@13.112502 13.112502 (369.23935, 1239.0651) 4 368.2327 368.2327@13.112502 + 378.2739@13.1903305 13.1903305 (379.28162, 3852.85)(380.2844, 847.19) 2 378.2739 378.2739@13.1903305 + 512.8811@13.659389 13.659389 (513.8881, 2985.2627)(514.8909, 687.77) 4 512.8811 512.8811@13.659389 + 741.5313@18.268648 18.268648 (742.5412, 1214.8667)(743.5432, 743.48)(744.5529, 1028.3)(745.558, 247.5)(724.5276, 1077.8)(725.5301, 561.48) 3 741.5313 741.5313@18.268648 + 659.3002@18.196936 18.196936 (660.3075, 1413.6129)(661.3108, 536.94995)(677.3341, 1775.8127)(678.3374, 565.86285)(682.2876, 1001.77) 7 659.3002 659.3002@18.196936 + 391.0973@0.91811246 0.91811246 (392.10474, 2475.345) 2 391.0973 391.0973@0.91811246 + 172.0345@0.9669052 0.9669052 (173.04143, 1335.4475) 4 172.0345 172.0345@0.9669052 + 149.99@0.98388535 0.98388535 (150.99736, 3652.985) 16 149.99 149.99@0.98388535 + 71.0739@1.0005771 1.0005771 (72.081184, 4088.0618) 6 71.0739 71.0739@1.0005771 + 147.1057@1.0426731 1.0426731 (148.11255, 1086.125) 2 147.1057 147.1057@1.0426731 + 89.0478@1.0948775 1.0948775 (90.05505, 1571.7479) 5 89.0478 89.0478@1.0948775 + 143.0939@1.1541481 1.1541481 (144.1011, 1908.44) 1 143.0939 143.0939@1.1541481 + 71.0377@1.2188357 1.2188357 (72.04477, 1983.2799) 3 71.0377 71.0377@1.2188357 + 158.0196@1.3338517 1.3338517 (159.02687, 3114.7598) 3 158.0196 158.0196@1.3338517 + 142.1099@1.649236 1.649236 (143.1172, 1025.07) 1 142.1099 142.1099@1.649236 + 168.0895@3.4651396 3.4651396 (169.0968, 2325.01) 1 168.0895 168.0895@3.4651396 + 496.1247@4.8227158 4.8227158 (497.13184, 1259.4299) 2 496.1247 496.1247@4.8227158 + 1042.3795@8.44811 8.44811 (1043.3868, 1068.03) 1 1042.3795 1042.3795@8.44811 + 1041.8798@8.449103 8.449103 (1042.8868, 1027.44) 1 1041.8798 1041.8798@8.449103 + 833.7031@8.451689 8.451689 (834.71094, 1364.635) 2 833.7031 833.7031@8.451689 + 1042.2551@8.450691 8.450691 (1043.2621, 1090.76) 2 1042.2551 1042.2551@8.450691 + 596.2948@10.200931 10.200931 (597.3022, 855.9033)(579.29254, 1557.2999)(580.29517, 544.14996) 3 596.2948 596.2948@10.200931 + 545.2744@10.264583 10.264583 (546.2817, 1489.04)(547.2855, 425.13) 1 545.2744 545.2744@10.264583 + 431.2303@10.522596 10.522596 (432.23755, 3604.725)(433.24066, 930.345) 2 431.2303 431.2303@10.522596 + 481.3159@10.853573 10.853573 (482.32333, 1404.3734)(483.3251, 419.1) 3 481.3159 481.3159@10.853573 + 1086.6604@10.893351 10.893351 (1087.6677, 3134.81) 1 1086.6604 1086.6604@10.893351 + 1156.6431@10.953562 10.953562 (1157.6506, 3029.7273)(1158.6538, 1987.0176)(1159.6562, 746.765) 4 1156.6431 1156.6431@10.953562 + 567.3297@11.470311 11.470311 (568.33685, 13048.543)(569.34033, 3696.37)(570.3542, 859.73) 3 567.3297 567.3297@11.470311 + 303.2917@12.338528 12.338528 (304.299, 3760.25)(305.3029, 801.99) 1 303.2917 303.2917@12.338528 + 349.3182@12.478778 12.478778 (350.32544, 3766.8098)(351.32812, 842.26) 3 349.3182 349.3182@12.478778 + 843.6437@12.721907 12.721907 (844.651, 1012.85)(845.654, 579.12) 1 843.6437 843.6437@12.721907 + 807.5751@13.359657 13.359657 (808.5824, 10473.38)(809.5859, 4423.27)(810.5983, 4556.79) 1 807.5751 807.5751@13.359657 + 860.6081@13.422583 13.422583 (861.6154, 1021.52)(862.6177, 809.73)(863.6299, 379.08) 1 860.6081 860.6081@13.422583 + 511.3869@13.929502 13.929502 (512.3942, 1297.86)(513.3954, 461.4) 1 511.3869 511.3869@13.929502 + 653.5065@13.967785 13.967785 (654.5138, 1260.27)(655.5166, 495.7) 1 653.5065 653.5065@13.967785 + 438.3344@14.028114 14.028114 (439.34015, 1126.54)(456.36877, 3968.97)(457.3713, 1183.155) 2 438.3344 438.3344@14.028114 + 496.3858@14.000174 14.000174 (497.393, 2017.54)(498.3999, 652.94) 1 496.3858 496.3858@14.000174 + 767.5796@14.007044 14.007044 (768.5868, 1849.55)(769.5895, 1054.57)(770.5898, 643.58) 1 767.5796 767.5796@14.007044 + 810.6051@14.008026 14.008026 (811.6124, 9273.18)(812.6196, 6049.07) 1 810.6051 810.6051@14.008026 + 809.5913@14.028481 14.028481 (810.5984, 30708.494)(832.5829, 1065.025) 2 809.5913 809.5913@14.028481 + 843.6434@14.02881 14.02881 (844.6507, 1193.4426)(845.654, 800.44244)(846.65686, 1613.415)(847.6697, 975.37)(848.6514, 1656.86) 4 843.6434 843.6434@14.02881 + 565.4491@14.028635 14.028635 (566.4564, 1194.85)(567.4612, 453.44) 1 565.4491 565.4491@14.028635 + 477.4019@14.06985 14.06985 (478.4092, 1677.67)(479.412, 511.21) 1 477.4019 477.4019@14.06985 + 341.329@14.072794 14.072794 (342.3362, 3240.22)(343.3391, 771.34) 1 341.329 341.329@14.072794 + 562.0612@14.09398 14.09398 (563.06824, 1718.785) 2 562.0612 562.0612@14.09398 + 834.58@14.075782 14.075782 (835.5863, 1747.5125)(836.58997, 895.79)(837.6078, 660.33) 4 834.58 834.58@14.075782 + 462.3705@14.300362 14.300362 (463.3777, 1151.09)(464.3831, 470.91) 1 462.3705 462.3705@14.300362 + 434.3394@14.396915 14.396915 (435.34625, 3903.16)(436.3502, 1100.72)(457.32812, 625.48) 2 434.3394 434.3394@14.396915 + 754.5328@15.874059 15.874059 (755.5401, 1614.51) 1 754.5328 754.5328@15.874059 + 699.5628@16.213316 16.213316 (700.5701, 1001.72) 1 699.5628 699.5628@16.213316 + 1191.7922@17.023773 17.023773 (1192.7992, 1706.0221)(1193.8036, 1344.88) 5 1191.7922 1191.7922@17.023773 + 1193.8091@17.10352 17.10352 (1194.816, 8174.896)(1195.8195, 6275.062)(1196.823, 2496.2622)(1197.825, 648.41595) 5 1193.8091 1193.8091@17.10352 + 841.6308@18.044868 18.044868 (842.6378, 2096.1099)(843.6418, 993.84)(844.6435, 551.99)(824.6314, 495.8)(825.648, 304.0) 2 841.6308 841.6308@18.044868 + 163.9151@0.83959186 0.83959186 (164.92232, 3385.2153) 10 163.9151 163.9151@0.83959186 + 393.7844@0.86506057 0.86506057 (394.7913, 1029.8301) 2 393.7844 393.7844@0.86506057 + 547.6028@0.8674508 0.8674508 (548.6099, 1136.9767) 3 547.6028 547.6028@0.8674508 + 605.5619@0.86807686 0.86807686 (606.5684, 1041.0499) 3 605.5619 605.5619@0.86807686 + 607.5585@0.86905414 0.86905414 (608.5657, 1049.03) 1 607.5585 607.5585@0.86905414 + 199.0944@0.91505873 0.91505873 (200.1017, 1011.65) 1 199.0944 199.0944@0.91505873 + 426.1151@0.9240596 0.9240596 (427.1224, 1005.94) 1 426.1151 426.1151@0.9240596 + 299.1076@1.0210698 1.0210698 (300.1148, 1095.62) 1 299.1076 299.1076@1.0210698 + 212.0463@1.0290706 1.0290706 (213.0536, 1009.71) 1 212.0463 212.0463@1.0290706 + 285.1064@1.3231028 1.3231028 (286.1137, 2032.07) 1 285.1064 285.1064@1.3231028 + 100.0523@3.4275415 3.4275415 (101.0595, 1151.0934) 3 100.0523 100.0523@3.4275415 + 154.0988@5.5788493 5.5788493 (155.10605, 1077.155)(172.1328, 1100.86) 2 154.0988 154.0988@5.5788493 + 1093.1488@8.008565 8.008565 (1094.1553, 1051.2067) 3 1093.1488 1093.1488@8.008565 + 874.615@8.012224 8.012224 (875.62335, 1060.735) 4 874.615 874.615@8.012224 + 727.0958@8.00917 8.00917 (728.1044, 1211.2899) 7 727.0958 727.0958@8.00917 + 971.7948@8.014227 8.014227 (972.8042, 1185.4199) 4 971.7948 971.7948@8.014227 + 196.1458@8.025379 8.025379 (197.15277, 672.74)(214.17957, 2220.425)(215.18266, 428.17334) 6 196.1458 196.1458@8.025379 + 235.1539@8.005828 8.005828 (236.16125, 1045.7633) 3 235.1539 235.1539@8.005828 + 969.1322@8.091956 8.091956 (970.1391, 1870.1609)(971.1322, 1367.3899) 13 969.1322 969.1322@8.091956 + 873.0131@8.094446 8.094446 (874.02124, 1054.84) 2 873.0131 873.0131@8.094446 + 255.2191@10.073494 10.073494 (256.2263, 1936.12) 1 255.2191 255.2191@10.073494 + 866.3626@10.11035 10.11035 (867.3699, 1003.29)(868.3723, 534.74) 1 866.3626 866.3626@10.11035 + 567.3342@10.934894 10.934894 (1135.6705, 21061.27)(1136.6741, 12916.725)(1137.6764, 4152.085)(1138.669, 1256.805)(1157.6523, 3525.97)(1158.6542, 2413.3398)(1159.6553, 848.38)(568.33997, 238850.39)(569.34283, 74760.79)(570.3447, 17546.371)(571.34814, 4226.88)(572.3512, 413.22) 6 567.3342 567.3342@10.934894 + 525.3789@12.20189 12.20189 (526.3853, 1384.33)(527.3878, 462.75)(548.3701, 408.37) 1 525.3789 525.3789@12.20189 + 352.3167@12.610393 12.610393 (353.32397, 3355.3867)(354.32736, 461.69003) 3 352.3167 352.3167@12.610393 + 375.3103@13.044291 13.044291 (376.3176, 3469.65)(377.3208, 878.11) 1 375.3103 375.3103@13.044291 + 423.2739@13.141586 13.141586 (424.2812, 1635.01)(425.287, 602.4) 1 423.2739 423.2739@13.141586 + 429.3585@13.133766 13.133766 (430.36548, 1536.1533)(431.37656, 693.75665) 3 429.3585 429.3585@13.133766 + 429.3583@13.225891 13.225891 (430.365, 2227.4934)(431.3768, 1050.4767) 3 429.3583 429.3583@13.225891 + 552.3982@13.258723 13.258723 (553.4054, 17742.4)(554.4082, 3075.62)(555.4128, 501.74) 1 552.3982 552.3982@13.258723 + 457.3761@13.376377 13.376377 (458.38293, 1178.91)(459.38635, 377.86) 2 457.3761 457.3761@13.376377 + 471.3985@13.620668 13.620668 (472.40524, 1565.06)(473.4092, 555.625) 2 471.3985 471.3985@13.620668 + 828.5342@13.676501 13.676501 (829.5415, 1162.26)(830.5515, 959.27)(831.5531, 598.32) 1 828.5342 828.5342@13.676501 + 805.5501@13.677493 13.677493 (806.5574, 7480.0)(807.5607, 3456.25) 1 805.5501 805.5501@13.677493 + 603.4514@13.896709 13.896709 (604.4586, 1047.23)(605.4634, 468.58) 1 603.4514 603.4514@13.896709 + 825.5509@14.049427 14.049427 (826.5581, 1176.47)(827.5605, 542.58)(828.5534, 429.94) 1 825.5509 825.5509@14.049427 + 833.5799@14.82541 14.82541 (834.5915, 755.37)(816.5763, 7116.48)(817.5791, 3737.55)(818.5886, 2643.4)(819.5932, 1204.42)(820.5803, 142.25) 1 833.5799 833.5799@14.82541 + 869.5932@15.040312 15.040312 (870.6004, 1224.98)(871.6032, 685.08) 1 869.5932 869.5932@15.040312 + 775.2232@15.08173 15.08173 (776.23114, 1036.3934)(777.23047, 751.5)(778.2308, 647.80334) 3 775.2232 775.2232@15.08173 + 839.5773@15.429338 15.429338 (840.5846, 1390.73)(841.5859, 734.32) 1 839.5773 839.5773@15.429338 + 802.587@15.925926 15.925926 (803.5942, 1697.07) 1 802.587 802.587@15.925926 + 863.605@16.66711 16.66711 (864.6123, 2620.03)(865.621, 607.03) 1 863.605 863.605@16.66711 + 835.6083@17.088686 17.088686 (836.6096, 1396.3)(837.6139, 627.135)(818.6056, 17822.3)(819.6086, 8505.46)(820.5906, 8708.67) 2 835.6083 835.6083@17.088686 + 861.6224@18.683346 18.683346 (862.63, 1328.375)(863.63354, 910.03503) 2 861.6224 861.6224@18.683346 + 845.6295@19.606535 19.606535 (846.6368, 1117.17)(847.6394, 608.88) 1 845.6295 845.6295@19.606535 + 103.9849@0.9083362 0.9083362 (104.992226, 4050.4124) 9 103.9849 103.9849@0.9083362 + 152.058@2.7037406 2.7037406 (153.0653, 2819.0461)(154.0694, 344.86)(175.04712, 615.344) 19 152.058 152.058@2.7037406 + 416.3234@10.438963 10.438963 (417.33118, 1272.9751)(418.33444, 392.56) 4 416.3234 416.3234@10.438963 + 252.2089@10.512311 10.512311 (253.21552, 1518.4751)(254.2189, 496.76) 4 252.2089 252.2089@10.512311 + 565.3137@10.994394 10.994394 (566.321, 9003.16)(567.3238, 2705.96) 1 565.3137 565.3137@10.994394 + 543.3292@11.544585 11.544585 (544.3365, 1920.02)(545.3395, 538.01) 1 543.3292 543.3292@11.544585 + 503.3347@11.815525 11.815525 (504.34167, 1641.8125)(505.34406, 512.91003) 4 503.3347 503.3347@11.815525 + 561.3192@12.357227 12.357227 (562.32654, 1175.756)(563.32874, 393.125) 5 561.3192 561.3192@12.357227 + 699.3059@12.718888 12.718888 (700.3132, 2968.1533)(701.3161, 1120.19) 3 699.3059 699.3059@12.718888 + 297.267@12.871481 12.871481 (298.2742, 66366.49)(299.27695, 10860.945)(300.2808, 1656.54) 2 297.267 297.267@12.871481 + 378.2741@13.025948 13.025948 (379.2813, 5955.15)(380.2848, 1393.45) 1 378.2741 378.2741@13.025948 + 785.5938@13.252964 13.252964 (786.6011, 17580.51)(787.6048, 7369.68)(788.6122, 4234.66)(789.6165, 1337.44)(808.5823, 2119.21)(809.5877, 1010.93)(810.598, 1789.89) 1 785.5938 785.5938@13.252964 + 754.5231@13.293154 13.293154 (755.5304, 1119.82)(756.5388, 670.08) 1 754.5231 754.5231@13.293154 + 784.6328@13.305591 13.305591 (785.64, 1002.42) 1 784.6328 784.6328@13.305591 + 805.5509@13.308461 13.308461 (806.5582, 1575.6)(807.5699, 741.47)(828.5401, 471.07) 1 805.5509 805.5509@13.308461 + 688.9848@13.343852 13.343852 (689.9921, 1785.34) 1 688.9848 688.9848@13.343852 + 627.1871@13.474581 13.474581 (628.19354, 2273.815)(629.1941, 1346.565)(630.1924, 962.45996) 2 627.1871 627.1871@13.474581 + 781.6571@13.534983 13.534983 (782.6644, 2749.3) 1 781.6571 781.6571@13.534983 + 745.5872@13.540007 13.540007 (746.5947, 4158.16) 2 745.5872 745.5872@13.540007 + 664.3407@13.650476 13.650476 (665.348, 1344.63)(666.3536, 659.01) 1 664.3407 664.3407@13.650476 + 148.0157@13.95288 13.95288 (149.02277, 1238.75) 3 148.0157 148.0157@13.95288 + 785.5939@13.803197 13.803197 (786.6009, 20900.303)(787.60547, 8696.124)(788.60834, 4194.6636)(789.6114, 1377.14)(790.603, 563.17)(808.5815, 1884.29)(809.5872, 987.43)(810.5982, 1477.52)(811.6168, 784.98)(812.6181, 631.25) 3 785.5939 785.5939@13.803197 + 791.0513@13.978379 13.978379 (792.0596, 1448.6434)(793.0609, 377.49) 3 791.0513 791.0513@13.978379 + 381.3715@14.130114 14.130114 (382.37854, 1195.3899)(383.3927, 481.38) 2 381.3715 381.3715@14.130114 + 504.8831@14.252744 14.252744 (505.89072, 1353.7649) 4 504.8831 504.8831@14.252744 + 815.631@14.344006 14.344006 (816.6383, 1220.99)(817.6406, 610.87) 1 815.631 815.631@14.344006 + 771.6046@14.384978 14.384978 (772.6123, 1253.6167)(773.6158, 622.67)(774.594, 606.595) 3 771.6046 771.6046@14.384978 + 829.5608@15.712906 15.712906 (830.5681, 6366.99)(831.5716, 3354.11) 1 829.5608 829.5608@15.712906 + 779.5462@15.742879 15.742879 (780.5535, 22064.5)(781.5565, 9637.24)(782.5616, 1349.26)(783.566, 257.97) 1 779.5462 779.5462@15.742879 + 697.4908@15.802795 15.802795 (698.498, 1170.0)(699.5024, 554.26) 1 697.4908 697.4908@15.802795 + 827.5435@16.698166 16.698166 (828.5508, 13005.87)(829.5539, 6107.22)(830.5623, 2238.85)(831.5677, 598.91) 1 827.5435 827.5435@16.698166 + 388.2611@16.740856 16.740856 (389.26825, 3195.8774)(390.2716, 855.5225)(371.25797, 1386.0934)(372.2618, 538.87) 4 388.2611 388.2611@16.740856 + 645.5325@16.741852 16.741852 (646.53937, 1516.1134)(647.5423, 676.10333) 3 645.5325 645.5325@16.741852 + 765.5324@16.727837 16.727837 (766.5397, 2036.72)(767.5434, 983.33)(768.5517, 883.87)(769.5553, 128.39) 1 765.5324 765.5324@16.727837 + 430.3802@17.306376 17.306376 (431.3875, 1298.91)(432.3908, 333.61) 1 430.3802 430.3802@17.306376 + 791.5827@17.38965 17.38965 (792.5896, 14444.103)(793.5925, 6645.707)(794.59406, 1968.06)(795.5924, 368.745) 3 791.5827 791.5827@17.38965 + 765.5657@17.76487 17.76487 (766.573, 2266.92)(767.5767, 1421.82)(768.5786, 589.18) 1 765.5657 765.5657@17.76487 + 215.9153@0.8610625 0.8610625 (216.92256, 14438.447)(217.9253, 367.16666)(218.91988, 4773.612) 8 215.9153 215.9153@0.8610625 + 60.0332@1.0761421 1.0761421 (61.040478, 89615.41)(62.04215, 1249.0974)(83.02174, 4561.2275) 4 60.0332 60.0332@1.0761421 + 341.1223@1.3159866 1.3159866 (342.1295, 1031.18) 1 341.1223 341.1223@1.3159866 + 117.0792@4.6628456 4.6628456 (118.0865, 1069.04) 1 117.0792 117.0792@4.6628456 + 131.094@4.6638455 4.6638455 (132.1013, 1046.72) 1 131.094 131.094@4.6638455 + 590.0948@4.665764 4.665764 (591.1019, 1789.415) 2 590.0948 590.0948@4.665764 + 234.9929@6.322811 6.322811 (235.99785, 405.64664)(217.98975, 3652.17)(218.99236, 475.35336) 3 234.9929 234.9929@6.322811 + 90.0469@6.442052 6.442052 (91.0541, 4103.8) 2 90.0469 90.0469@6.442052 + 215.1518@6.5310407 6.5310407 (216.15906, 815.25336)(198.14813, 1823.3066) 3 215.1518 215.1518@6.5310407 + 569.3321@6.5425386 6.5425386 (570.33887, 1274.3401)(571.34204, 412.40997) 2 569.3321 569.3321@6.5425386 + 585.3275@6.8566694 6.8566694 (586.3348, 1626.31)(587.3361, 508.77) 1 585.3275 585.3275@6.8566694 + 585.327@6.896487 6.896487 (586.33356, 2170.44)(587.33813, 610.54004) 2 585.327 585.327@6.896487 + 585.3256@6.952979 6.952979 (586.3338, 1267.98)(587.3367, 404.915) 2 585.3256 585.3256@6.952979 + 567.3157@7.019969 7.019969 (568.32306, 1147.6951) 2 567.3157 567.3157@7.019969 + 969.6797@7.8015738 7.8015738 (970.6869, 1112.37) 1 969.6797 969.6797@7.8015738 + 551.3213@7.8123426 7.8123426 (552.3286, 1325.13)(553.3321, 401.18) 2 551.3213 551.3213@7.8123426 + 551.3204@8.374509 8.374509 (552.3277, 1801.09)(553.3336, 558.0) 1 551.3204 551.3204@8.374509 + 533.3114@8.99063 8.99063 (534.31824, 1123.7051) 2 533.3114 533.3114@8.99063 + 535.3266@9.311566 9.311566 (536.3329, 1424.16)(537.3352, 403.495) 2 535.3266 535.3266@9.311566 + 513.387@11.122999 11.122999 (514.39435, 1471.51)(515.3984, 482.37) 5 513.387 513.387@11.122999 + 608.3871@12.082985 12.082985 (609.3944, 3365.52)(610.3944, 853.46) 1 608.3871 608.3871@12.082985 + 624.3822@12.175402 12.175402 (625.38965, 3247.275)(626.3922, 790.595) 2 624.3822 624.3822@12.175402 + 689.4252@12.185968 12.185968 (690.4315, 1520.35)(691.4344, 781.55)(712.42, 360.19) 1 689.4252 689.4252@12.185968 + 679.438@12.184899 12.184899 (680.4463, 1816.19)(681.4498, 690.945)(682.4426, 465.91998) 2 679.438 679.438@12.184899 + 631.3844@12.338859 12.338859 (632.39136, 1685.37)(633.3933, 623.275)(634.406, 1008.08) 2 631.3844 631.3844@12.338859 + 663.4112@12.402342 12.402342 (664.4181, 3631.06)(665.42126, 1490.8999)(686.40015, 622.555) 2 663.4112 663.4112@12.402342 + 645.4002@12.412338 12.412338 (646.4073, 8258.285)(647.4099, 2844.205)(648.4132, 633.905) 2 645.4002 645.4002@12.412338 + 757.4522@12.428335 12.428335 (758.4588, 1761.285)(759.4608, 733.455)(760.46796, 566.85) 2 757.4522 757.4522@12.428335 + 661.4211@12.693262 12.693262 (662.427, 6848.0996)(663.4324, 2751.6602) 2 661.4211 661.4211@12.693262 + 823.5535@12.784865 12.784865 (824.5607, 1932.61)(825.5647, 982.06) 1 823.5535 823.5535@12.784865 + 665.4263@12.871713 12.871713 (666.4344, 2798.395)(667.43994, 1056.7999)(668.44727, 1271.6799)(669.45154, 367.555) 2 665.4263 665.4263@12.871713 + 665.4328@12.909843 12.909843 (666.4401, 2407.4)(667.4498, 962.95) 1 665.4328 665.4328@12.909843 + 733.4873@12.931838 12.931838 (734.4946, 2673.06)(735.4986, 1064.51)(736.485, 347.09) 1 733.4873 733.4873@12.931838 + 711.4452@12.950835 12.950835 (712.4525, 2171.19)(713.4545, 859.3) 1 711.4452 711.4452@12.950835 + 743.4723@13.121643 13.121643 (744.4795, 1855.095)(745.48285, 805.565)(746.4839, 385.16) 2 743.4723 743.4723@13.121643 + 689.6088@18.268694 18.268694 (690.6161, 1415.93)(691.6201, 702.03) 1 689.6088 689.6088@18.268694 + 136.0379@2.8377502 2.8377502 (137.04536, 1518.7266) 3 136.0379 136.0379@2.8377502 + 86.0367@3.786026 3.786026 (87.04414, 1218.864) 5 86.0367 86.0367@3.786026 + 325.2457@6.7245994 6.7245994 (326.25305, 2901.5566)(327.2557, 501.514) 6 325.2457 325.2457@6.7245994 + 396.2265@10.52984 10.52984 (397.23413, 1098.2025) 4 396.2265 396.2265@10.52984 + 477.2846@11.159254 11.159254 (478.29227, 1440.2726)(479.29514, 422.90665) 4 477.2846 477.2846@11.159254 + 501.2895@11.158932 11.158932 (502.2967, 1271.01)(503.2982, 324.85) 1 501.2895 501.2895@11.158932 + 543.3297@11.743589 11.743589 (544.33704, 10279.038)(545.3402, 2777.8274) 4 543.3297 543.3297@11.743589 + 517.3146@11.905754 11.905754 (518.32153, 1439.115)(519.32526, 469.41998) 2 517.3146 517.3146@11.905754 + 103.0996@11.999981 11.999981 (104.10665, 1440.46) 6 103.0996 103.0996@11.999981 + 332.2905@12.849763 12.849763 (333.2979, 395.9)(350.3243, 2937.59)(351.3285, 645.89)(352.3204, 408.0) 1 332.2905 332.2905@12.849763 + 332.2888@12.944287 12.944287 (333.2962, 749.29)(350.3225, 1040.09) 1 332.2888 332.2888@12.944287 + 281.2718@12.995455 12.995455 (563.5489, 1636.75)(564.5549, 623.85)(585.5321, 1192.66)(282.2788, 5349.264)(283.27945, 1589.8334)(284.2855, 462.49)(304.261, 22920.24)(305.2636, 4044.7) 5 281.2718 281.2718@12.995455 + 356.2926@13.171502 13.171502 (735.5703, 330.28998)(357.29968, 5672.3623)(358.30267, 2007.0801)(359.3065, 476.34998)(339.28787, 986.2668)(374.32635, 12494.607)(375.32947, 2546.1602)(376.33008, 909.8234)(379.28162, 13033.284)(380.2845, 2657.37)(381.28848, 615.498) 9 356.2926 356.2926@13.171502 + 609.4464@13.445624 13.445624 (610.4537, 1022.56)(611.4576, 384.78) 1 609.4464 609.4464@13.445624 + 423.4178@15.307491 15.307491 (424.4251, 1250.37)(425.4285, 403.89) 1 423.4178 423.4178@15.307491 + 851.5455@15.513912 15.513912 (852.5528, 3159.33)(853.556, 1769.98)(854.5654, 812.03) 1 851.5455 851.5455@15.513912 + 799.5801@16.078339 16.078339 (800.5873, 2416.98)(801.5931, 1492.48)(802.5707, 1264.17) 1 799.5801 799.5801@16.078339 + 779.5486@16.090239 16.090239 (780.5559, 348438.84)(781.5588, 156849.39) 1 779.5486 779.5486@16.090239 + 815.5856@16.104073 16.104073 (816.59314, 2956.58)(817.59674, 1790.215) 2 815.5856 815.5856@16.104073 + 755.5477@16.151497 16.151497 (756.5548, 119616.34)(757.5576, 48627.58)(758.56226, 9076.225)(759.5665, 1204.875) 2 755.5477 755.5477@16.151497 + 793.5595@16.152706 16.152706 (794.5668, 2666.47)(795.5711, 1248.67)(796.5757, 503.05) 1 793.5595 793.5595@16.152706 + 789.5669@16.936506 16.936506 (790.5747, 6211.075)(791.5771, 3118.1802) 2 789.5669 789.5669@16.936506 + 769.5618@17.002329 17.002329 (770.5691, 6872.3203)(771.5726, 3044.155)(772.59283, 632.71497) 4 769.5618 769.5618@17.002329 + 765.5321@17.022362 17.022362 (766.54254, 3666.105)(767.54614, 1910.9624)(768.55347, 865.69995) 4 765.5321 765.5321@17.022362 + 820.5812@17.198353 17.198353 (821.58813, 7713.55)(822.5907, 2058.52)(823.5919, 497.34) 2 820.5812 820.5812@17.198353 + 769.5619@17.229792 17.229792 (770.5692, 4446.6)(771.5721, 2184.83) 1 769.5619 769.5619@17.229792 + 859.6084@18.130814 18.130814 (860.6155, 3110.73)(861.619, 1758.21)(862.622, 595.03503) 2 859.6084 859.6084@18.130814 + 817.5995@19.159138 19.159138 (818.6068, 3542.98)(819.6088, 2118.49) 1 817.5995 817.5995@19.159138 + 1091.0199@8.09009 8.09009 (1092.0267, 3783.9473) 7 1091.0199 1091.0199@8.09009 + 222.0559@8.980271 8.980271 (223.06331, 1060.2533) 6 222.0559 222.0559@8.980271 + 372.2873@11.782982 11.782982 (373.29358, 1520.19)(374.2972, 457.05)(355.28387, 1011.80994)(390.32147, 2501.6)(391.32196, 623.945)(395.27655, 2199.76)(396.279, 582.09) 2 372.2873 372.2873@11.782982 + 569.3444@11.9440365 11.9440365 (570.35175, 1744.215)(571.35596, 599.78503) 2 569.3444 569.3444@11.9440365 + 407.3008@13.0404825 13.0404825 (408.3081, 7767.88)(409.3114, 1883.36) 1 407.3008 407.3008@13.0404825 + 225.1724@13.126397 13.126397 (226.1796, 9282.96)(227.1748, 1998.8)(208.1689, 602.02) 1 225.1724 225.1724@13.126397 + 210.1615@13.179565 13.179565 (211.16885, 1887.02)(228.1954, 9648.325)(229.19861, 1334.71) 2 210.1615 210.1615@13.179565 + 551.3951@13.179468 13.179468 (552.4023, 28113.72)(553.4054, 7561.72)(554.4079, 1408.47) 1 551.3951 551.3951@13.179468 + 1007.7305@13.521576 13.521576 (1008.7377, 1491.92)(1009.7417, 905.04) 1 1007.7305 1007.7305@13.521576 + 597.4244@13.642817 13.642817 (598.4317, 1555.52)(599.4343, 585.92) 1 597.4244 597.4244@13.642817 + 699.5483@13.673593 13.673593 (700.5556, 1681.92)(701.5591, 673.41) 1 699.5483 699.5483@13.673593 + 611.4969@13.720705 13.720705 (612.5042, 1228.22)(613.5059, 459.21) 1 611.4969 611.4969@13.720705 + 477.3454@13.934458 13.934458 (478.35287, 1302.8561)(479.35425, 467.614) 5 477.3454 477.3454@13.934458 + 812.5703@13.990595 13.990595 (813.5776, 1541.37)(814.5789, 785.63) 1 812.5703 812.5703@13.990595 + 813.0655@13.991555 13.991555 (814.0728, 1311.75) 1 813.0655 813.0655@13.991555 + 1035.764@14.235079 14.235079 (1036.7712, 1261.56)(1037.7749, 799.14) 1 1035.764 1035.764@14.235079 + 991.737@14.2772665 14.2772665 (992.7443, 1292.325)(993.7471, 749.9) 2 991.737 991.737@14.2772665 + 482.368@14.272202 14.272202 (483.37546, 1258.495) 2 482.368 482.368@14.272202 + 727.5777@14.447582 14.447582 (728.585, 1318.8)(729.5891, 605.17) 1 727.5777 727.5777@14.447582 + 418.3073@14.460015 14.460015 (419.3146, 1623.5)(420.3212, 555.56) 1 418.3073 418.3073@14.460015 + 683.5549@14.482967 14.482967 (684.5622, 1096.92)(685.5627, 443.33) 1 683.5549 683.5549@14.482967 + 476.3607@14.60627 14.60627 (477.3679, 1088.41)(478.3724, 346.84) 1 476.3607 476.3607@14.60627 + 418.3077@14.613913 14.613913 (419.315, 2420.63)(420.3195, 823.73) 1 418.3077 418.3077@14.613913 + 875.5472@14.691074 14.691074 (876.5566, 1496.4026)(877.5597, 720.4975)(878.5647, 391.13748) 4 875.5472 875.5472@14.691074 + 579.4257@14.700821 14.700821 (580.4329, 1317.19)(581.4365, 486.55) 1 579.4257 579.4257@14.700821 + 339.3496@15.201119 15.201119 (340.3568, 1128.77) 1 339.3496 339.3496@15.201119 + 405.0895@0.9191242 0.9191242 (406.09695, 1014.55) 2 405.0895 405.0895@0.9191242 + 59.0739@1.322471 1.322471 (60.0811, 4547.563) 3 59.0739 59.0739@1.322471 + 770.3379@5.079534 5.079534 (771.3451, 1301.67) 1 770.3379 770.3379@5.079534 + 475.833@5.1444182 5.1444182 (476.8403, 3003.16) 1 475.833 475.833@5.1444182 + 830.0063@8.49596 8.49596 (831.01337, 1090.4133) 3 830.0063 830.0063@8.49596 + 494.3@9.495744 9.495744 (495.3072, 1152.66)(496.3124, 485.49) 1 494.3 494.3@9.495744 + 414.2036@10.798347 10.798347 (415.21082, 1221.85)(437.1928, 2321.03)(438.1944, 613.99) 2 414.2036 414.2036@10.798347 + 434.2429@10.882903 10.882903 (435.2502, 1121.35)(452.2767, 832.39) 1 434.2429 434.2429@10.882903 + 1086.6613@11.124874 11.124874 (1087.6685, 2368.46)(1088.6714, 1439.0901)(1089.681, 1231.335)(1090.6829, 734.18)(1091.6772, 235.87) 2 1086.6613 1086.6613@11.124874 + 527.3007@11.222513 11.222513 (528.308, 5617.96)(529.3108, 1693.24)(530.3174, 570.15) 1 527.3007 527.3007@11.222513 + 582.4192@12.464235 12.464235 (583.42645, 1135.32) 2 582.4192 582.4192@12.464235 + 545.3462@12.503644 12.503644 (546.35297, 25639.635)(547.35596, 6412.0386)(548.3596, 1321.0675)(549.3661, 195.99) 6 545.3462 545.3462@12.503644 + 319.2511@12.487236 12.487236 (320.2584, 16847.69)(321.2608, 3365.95)(322.2631, 484.95) 1 319.2511 319.2511@12.487236 + 571.3609@12.527242 12.527242 (572.3676, 3903.5422)(573.37024, 1513.98)(574.3719, 537.37) 5 571.3609 571.3609@12.527242 + 295.2507@12.658141 12.658141 (296.2581, 4790.523)(297.26016, 969.14667) 3 295.2507 295.2507@12.658141 + 509.3841@12.722115 12.722115 (510.3914, 16183.84)(511.3946, 4212.57)(512.396, 789.01) 1 509.3841 509.3841@12.722115 + 559.3617@12.833104 12.833104 (560.369, 31999.55)(561.3718, 8280.47)(562.37, 1601.71) 1 559.3617 559.3617@12.833104 + 479.2706@13.707687 13.707687 (480.2783, 4519.17)(481.28113, 1288.9183)(482.27985, 779.135)(462.26642, 492.385) 6 479.2706 479.2706@13.707687 + 573.3751@13.994556 13.994556 (574.3823, 1329.26)(575.3871, 425.83) 1 573.3751 573.3751@13.994556 + 911.6135@14.900068 14.900068 (912.6206, 1092.995)(913.6236, 648.135) 2 911.6135 911.6135@14.900068 + 801.5315@15.531056 15.531056 (802.5403, 1201.98)(803.5415, 645.2125) 4 801.5315 801.5315@15.531056 + 807.5797@17.168776 17.168776 (808.5866, 184407.08)(809.5896, 103167.54)(810.592, 22550.494)(811.5959, 3631.5566)(812.6086, 513.45667)(830.5669, 773.75665)(831.5701, 257.30334) 3 807.5797 807.5797@17.168776 + 731.5467@17.20024 17.20024 (732.554, 20927.61)(733.557, 7703.25)(734.5602, 2124.44)(735.5639, 206.01) 1 731.5467 731.5467@17.20024 + 263.9633@0.78700066 0.78700066 (264.97107, 1214.6675) 4 263.9633 263.9633@0.78700066 + 156.9951@0.7922506 0.7922506 (158.00241, 1475.5775) 4 156.9951 156.9951@0.7922506 + 105.0004@0.7909992 0.7909992 (106.00763, 1117.7133) 3 105.0004 105.0004@0.7909992 + 185.0259@0.7936657 0.7936657 (186.03313, 1409.4135) 3 185.0259 185.0259@0.7936657 + 253.9748@0.844005 0.844005 (254.9821, 1239.47) 1 253.9748 253.9748@0.844005 + 361.9186@0.8463354 0.8463354 (362.92545, 1551.8334) 3 361.9186 361.9186@0.8463354 + 217.9137@0.8610051 0.8610051 (218.9209, 4448.46) 1 217.9137 217.9137@0.8610051 + 401.8164@0.86280465 0.86280465 (402.8238, 1264.5425) 4 401.8164 401.8164@0.86280465 + 221.8622@0.87092465 0.87092465 (222.86934, 1167.9661) 5 221.8622 221.8622@0.87092465 + 233.8872@0.86600554 0.86600554 (234.89435, 1145.265) 2 233.8872 233.8872@0.86600554 + 273.9232@0.88225055 0.88225055 (274.9308, 1443.5375) 4 273.9232 273.9232@0.88225055 + 333.8902@0.88950574 0.88950574 (334.89703, 1274.085) 2 333.8902 333.8902@0.88950574 + 308.1221@0.9230057 0.9230057 (309.1294, 2030.8) 1 308.1221 308.1221@0.9230057 + 133.1095@2.9570127 2.9570127 (134.1168, 1012.42) 1 133.1095 133.1095@2.9570127 + 132.0783@3.648999 3.648999 (133.0855, 1058.01) 1 132.0783 132.0783@3.648999 + 256.0496@7.8090515 7.8090515 (257.05713, 1613.306)(274.08307, 1088.23)(279.0382, 513.02) 5 256.0496 256.0496@7.8090515 + 331.1546@8.737438 8.737438 (332.1617, 1028.185) 4 331.1546 331.1546@8.737438 + 246.2186@11.735737 11.735737 (247.22603, 1154.1967)(264.2523, 596.6633) 3 246.2186 246.2186@11.735737 + 478.2538@11.942574 11.942574 (479.26105, 1261.308)(480.26535, 389.91498) 10 478.2538 478.2538@11.942574 + 490.3673@13.684117 13.684117 (491.37347, 1622.7113)(492.37698, 430.55002) 7 490.3673 490.3673@13.684117 + 773.5888@13.802708 13.802708 (774.59705, 1336.865)(775.60266, 1017.225) 2 773.5888 773.5888@13.802708 + 802.5354@14.05024 14.05024 (803.5417, 1211.8733)(804.5461, 687.5867) 3 802.5354 802.5354@14.05024 + 510.32@14.025728 14.025728 (511.3273, 1276.995)(512.332, 481.67) 4 510.32 510.32@14.025728 + 161.0689@0.9160719 0.9160719 (162.0762, 1123.23) 1 161.0689 161.0689@0.9160719 + 227.0451@0.9200724 0.9200724 (228.0523, 1225.8) 1 227.0451 227.0451@0.9200724 + 727.0102@8.005302 8.005302 (728.0187, 1258.425) 2 727.0102 727.0102@8.005302 + 970.0139@8.068648 8.068648 (971.0225, 1131.2134) 3 970.0139 970.0139@8.068648 + 971.0247@8.011763 8.011763 (972.0321, 1097.14)(973.02386, 816.645) 2 971.0247 971.0247@8.011763 + 557.4133@11.107893 11.107893 (558.42004, 1429.995)(559.42236, 432.905) 2 557.4133 557.4133@11.107893 + 318.2768@12.59684 12.59684 (319.2836, 983.63)(336.3107, 4402.12)(337.3023, 1188.31) 1 318.2768 318.2768@12.59684 + 971.9739@12.8229 12.8229 (972.9812, 39512.88)(973.984, 8691.0)(974.9668, 1911.59)(975.96, 806.16) 1 971.9739 971.9739@12.8229 + 373.3549@12.895263 12.895263 (374.3622, 1983.6)(375.3659, 488.25) 1 373.3549 373.3549@12.895263 + 809.5908@12.996357 12.996357 (810.598, 30351.08)(832.5814, 1155.56) 1 809.5908 809.5908@12.996357 + 767.5784@12.995543 12.995543 (768.5863, 2926.91)(769.58936, 1500.655)(770.5912, 458.66) 2 767.5784 767.5784@12.995543 + 793.5929@12.997348 12.997348 (794.6002, 1587.87)(795.6024, 961.14)(796.592, 1155.89)(797.6041, 284.34)(798.6143, 395.15) 1 793.5929 793.5929@12.997348 + 803.5524@12.998339 12.998339 (804.5597, 1372.65)(805.5659, 768.82)(806.5684, 2422.69)(807.5744, 1322.92) 1 803.5524 803.5524@12.998339 + 1095.7826@13.59169 13.59169 (1096.7899, 4071.3)(1097.7944, 2345.7)(1098.7938, 853.81) 1 1095.7826 1095.7826@13.59169 + 779.544@14.049922 14.049922 (780.5512, 4900.42)(781.556, 2018.41)(782.5676, 6483.35)(783.5722, 2767.99)(784.581, 2694.7) 1 779.544 779.544@14.049922 + 337.3344@14.398055 14.398055 (338.3417, 2962.4)(339.3449, 684.58) 1 337.3344 337.3344@14.398055 + 859.6087@17.037157 17.037157 (860.616, 1076.59)(861.6207, 557.51) 1 859.6087 859.6087@17.037157 + 370.2506@17.050163 17.050163 (371.25772, 1328.82)(372.26016, 464.68) 3 370.2506 370.2506@17.050163 + 797.5934@19.457832 19.457832 (798.6006, 5372.86)(799.6095, 4195.31)(800.6156, 906.79) 1 797.5934 797.5934@19.457832 + 819.6136@19.537039 19.537039 (820.6209, 11054.89)(821.6238, 5598.86) 1 819.6136 819.6136@19.537039 + 827.6044@19.638474 19.638474 (828.61163, 3900.585)(829.61536, 1929.11)(830.619, 625.505) 2 827.6044 827.6044@19.638474 + 759.5795@19.658262 19.658262 (760.5868, 989300.8)(761.5909, 476330.28)(762.5932, 113865.4)(763.5948, 16568.74)(764.5968, 2185.0)(765.5968, 82.52) 1 759.5795 759.5795@19.658262 + 383.755@0.8641447 0.8641447 (384.7623, 1088.21) 1 383.755 383.755@0.8641447 + 119.0822@0.9371612 0.9371612 (120.0895, 1088.34) 1 119.0822 119.0822@0.9371612 + 155.0351@1.0222093 1.0222093 (156.04243, 1296.3451) 6 155.0351 155.0351@1.0222093 + 259.0268@1.069123 1.069123 (260.034, 1463.1567)(277.0614, 974.71)(282.0155, 538.29) 3 259.0268 259.0268@1.069123 + 273.0418@1.0684562 1.0684562 (274.0498, 1748.5033)(291.0748, 554.27)(296.0292, 705.45) 3 273.0418 273.0418@1.0684562 + 265.106@1.1402054 1.1402054 (266.1133, 1201.96) 1 265.106 265.106@1.1402054 + 280.193@8.005438 8.005438 (281.2005, 7593.195)(282.20398, 1594.8) 2 280.193 280.193@8.005438 + 872.3157@8.081692 8.081692 (873.3241, 1236.5425)(874.3191, 554.70996) 4 872.3157 872.3157@8.081692 + 243.2195@10.5725155 10.5725155 (244.2267, 6056.8896)(245.2296, 896.1)(266.20856, 1145.82) 2 243.2195 243.2195@10.5725155 + 257.2351@10.928265 10.928265 (258.2423, 12813.595)(259.2448, 2062.8198)(280.224, 1333.565) 2 257.2351 257.2351@10.928265 + 581.417@12.165682 12.165682 (582.4236, 1894.995)(583.4258, 648.32) 2 581.417 581.417@12.165682 + 427.365@12.609846 12.609846 (428.3723, 4284.82)(429.3761, 1207.42) 1 427.365 427.365@12.609846 + 350.2272@12.628113 12.628113 (351.2345, 3185.27)(352.2387, 700.21) 1 350.2272 350.2272@12.628113 + 636.2998@12.701408 12.701408 (637.30615, 94539.84)(638.3091, 28293.445)(639.31085, 5091.2354)(640.3147, 732.185)(654.33386, 624792.0)(655.3368, 216030.25)(656.3386, 38275.344)(657.33923, 5353.1104)(658.34033, 560.045) 2 636.2998 636.2998@12.701408 + 606.4493@13.065787 13.065787 (607.4566, 1078.79)(608.4607, 404.01) 1 606.4493 606.4493@13.065787 + 454.3263@13.273576 13.273576 (455.3336, 7804.2)(456.3373, 1897.91)(457.3375, 391.1) 1 454.3263 454.3263@13.273576 + 644.9584@13.371965 13.371965 (645.9654, 2298.44)(646.9702, 359.41) 2 644.9584 644.9584@13.371965 + 397.3676@14.107132 14.107132 (398.3749, 1029.23)(399.3813, 529.06) 1 397.3676 397.3676@14.107132 + 424.4025@14.108083 14.108083 (425.4098, 1043.84)(426.41, 432.99) 1 424.4025 424.4025@14.108083 + 792.5845@17.106419 17.106419 (793.5917, 4791.13)(794.5894, 1369.3)(795.5886, 505.54) 1 792.5845 792.5845@17.106419 + 145.157@0.76207584 0.76207584 (146.16447, 1630.4551) 6 145.157 145.157@0.76207584 + 257.1023@1.0130999 1.0130999 (258.10938, 1256.6975)(280.09244, 992.34) 4 257.1023 257.1023@1.0130999 + 117.0787@1.0503241 1.0503241 (118.086, 20812.588)(119.08913, 1165.24)(140.0686, 1017.16) 4 117.0787 117.0787@1.0503241 + 256.0656@1.0214394 1.0214394 (257.07315, 1141.54) 4 256.0656 256.0656@1.0214394 + 159.1253@1.3807733 1.3807733 (160.1326, 7843.855)(161.13629, 762.44) 2 159.1253 159.1253@1.3807733 + 62.0372@1.4658699 1.4658699 (63.0444, 1094.365) 2 62.0372 62.0372@1.4658699 + 172.0515@1.6231331 1.6231331 (173.0592, 1178.6334) 3 172.0515 172.0515@1.6231331 + 247.1412@2.279865 2.279865 (248.14854, 1131.3032) 3 247.1412 247.1412@2.279865 + 403.1669@2.45546 2.45546 (404.17395, 1207.5967) 3 403.1669 403.1669@2.45546 + 712.322@5.016293 5.016293 (713.32947, 1228.385) 2 712.322 712.322@5.016293 + 225.1363@5.0149903 5.0149903 (226.1435, 1208.0) 1 225.1363 225.1363@5.0149903 + 315.2034@5.6417456 5.6417456 (316.2106, 1020.3) 1 315.2034 315.2034@5.6417456 + 240.0609@6.4121633 6.4121633 (241.0681, 1041.95) 1 240.0609 240.0609@6.4121633 + 158.0574@6.4118233 6.4118233 (159.06479, 5029.585)(160.06906, 454.055) 2 158.0574 158.0574@6.4118233 + 235.1054@6.412323 6.412323 (236.11261, 2660.565) 2 235.1054 235.1054@6.412323 + 189.0786@7.145756 7.145756 (190.0859, 1811.5674)(191.0877, 332.93) 4 189.0786 189.0786@7.145756 + 793.5585@8.008683 8.008683 (794.5658, 1017.59)(795.5732, 452.92) 1 793.5585 793.5585@8.008683 + 255.2557@12.90752 12.90752 (256.2629, 3332.04)(257.2651, 636.43)(278.2451, 486.71) 1 255.2557 255.2557@12.90752 + 683.3106@13.804993 13.804993 (684.3174, 1911.7458)(685.321, 767.854) 5 683.3106 683.3106@13.804993 + 71.0737@0.83311903 0.83311903 (72.08115, 4387.025) 2 71.0737 71.0737@0.83311903 + 112.0631@0.9201127 0.9201127 (113.0704, 1215.48) 1 112.0631 112.0631@0.9201127 + 219.0571@0.9231133 0.9231133 (220.0644, 1022.66) 1 219.0571 219.0571@0.9231133 + 162.1081@1.0636464 1.0636464 (163.11536, 2897.21)(145.10455, 1913.235) 2 162.1081 162.1081@1.0636464 + 132.0967@1.9248993 1.9248993 (133.10394, 1167.505) 2 132.0967 132.0967@1.9248993 + 115.0629@2.232156 2.232156 (116.06995, 1119.265)(98.0599, 707.85) 2 115.0629 115.0629@2.232156 + 56.063@4.3485594 4.3485594 (57.0703, 1041.34) 1 56.063 56.063@4.3485594 + 250.1768@6.0236645 6.0236645 (251.18405, 1018.695) 2 250.1768 250.1768@6.0236645 + 735.2112@10.846726 10.846726 (736.21875, 2609.3665)(737.2214, 1226.0468)(738.2249, 490.78) 3 735.2112 735.2112@10.846726 + 613.1736@10.88045 10.88045 (614.18036, 1045.545)(615.1827, 455.88) 2 613.1736 613.1736@10.88045 + 542.3173@10.914746 10.914746 (543.3246, 2031.94) 1 542.3173 542.3173@10.914746 + 990.6679@11.563174 11.563174 (991.6748, 496194.3)(992.6776, 260192.97)(993.6795, 70433.086)(994.68066, 12502.4)(995.68274, 1894.61)(996.6768, 137.18) 2 990.6679 990.6679@11.563174 + 1058.2104@12.466344 12.466344 (1059.2178, 1060.5133)(1060.2181, 492.43332) 3 1058.2104 1058.2104@12.466344 + 553.4007@13.260562 13.260562 (554.408, 2436.42) 1 553.4007 553.4007@13.260562 + 936.576@14.11907 14.11907 (937.5819, 1061.7)(938.58185, 699.29504) 2 936.576 936.576@14.11907 + 801.5285@16.22989 16.22989 (802.5391, 2811.83)(803.54376, 1322.6)(804.5526, 1008.35)(805.5551, 479.57) 3 801.5285 801.5285@16.22989 + 857.5917@16.696842 16.696842 (858.599, 1676.19)(859.6033, 902.17)(860.6047, 313.95) 1 857.5917 857.5917@16.696842 + 688.5504@17.3368 17.3368 (689.55804, 1775.9)(690.56067, 950.565) 2 688.5504 688.5504@17.3368 + 142.0253@0.87812537 0.87812537 (143.03242, 4895.8066) 3 142.0253 142.0253@0.87812537 + 309.1933@7.2384124 7.2384124 (310.2008, 2274.2234)(311.20398, 546.07) 3 309.1933 309.1933@7.2384124 + 754.7362@8.4938755 8.4938755 (755.7423, 1225.645) 2 754.7362 754.7362@8.4938755 + 103.0993@11.035314 11.035314 (104.1067, 3564.4849) 2 103.0993 103.0993@11.035314 + 1077.6235@11.106224 11.106224 (1078.63, 1137.3232)(1079.6306, 437.02) 6 1077.6235 1077.6235@11.106224 + 520.3344@11.317035 11.317035 (521.3416, 1180.01)(522.3365, 1466.1)(523.3326, 392.53) 1 520.3344 520.3344@11.317035 + 837.6216@13.429702 13.429702 (838.6289, 1185.72)(839.6336, 739.47) 1 837.6216 837.6216@13.429702 + 811.6075@13.44457 13.44457 (812.6148, 1825.84)(813.6253, 1064.83)(814.6336, 397.45)(834.5968, 1115.35)(835.604, 450.08)(836.6102, 342.68) 1 811.6075 811.6075@13.44457 + 809.593@13.771546 13.771546 (810.6003, 1863.73)(811.6196, 785.68) 1 809.593 809.593@13.771546 + 829.5612@15.984158 15.984158 (830.56775, 5319.595)(831.57153, 2777.48) 2 829.5612 829.5612@15.984158 + 805.5635@16.046984 16.046984 (806.57025, 113597.03)(807.57324, 51124.33)(808.5758, 10290.71)(809.5786, 2144.365) 2 805.5635 805.5635@16.046984 + 755.5463@16.488934 16.488934 (756.5535, 21727.504)(757.5565, 8956.98) 2 755.5463 755.5463@16.488934 + 827.5432@17.055891 17.055891 (828.5507, 14495.805)(829.55365, 6858.8765)(830.55817, 1128.5634)(831.56323, 139.985) 4 827.5432 827.5432@17.055891 + 755.5467@17.05962 17.05962 (756.5538, 32736.89)(757.5565, 13393.85)(758.56433, 3616.47)(759.5684, 865.9)(778.5357, 1960.45)(779.53906, 908.04) 2 755.5467 755.5467@17.05962 + 430.38@17.660795 17.660795 (431.3875, 1240.025)(432.38907, 400.25998) 4 430.38 430.38@17.660795 + 792.5848@18.044594 18.044594 (793.5921, 2719.8398)(794.59314, 888.175) 2 792.5848 792.5848@18.044594 + 765.5662@18.163282 18.163282 (766.57245, 2204.46)(767.5755, 1318.2032)(768.5803, 680.67) 3 765.5662 765.5662@18.163282 + 132.0593@1.4689374 1.4689374 (133.0664, 1058.8401)(115.0557, 823.96) 2 132.0593 132.0593@1.4689374 + 114.0487@1.611569 1.611569 (115.0559, 1114.74) 1 114.0487 114.0487@1.611569 + 248.1447@1.7536225 1.7536225 (249.1519, 1246.33) 1 248.1447 248.1447@1.7536225 + 338.1471@3.2502844 3.2502844 (339.1543, 1132.51) 2 338.1471 338.1471@3.2502844 + 321.2875@12.145611 12.145611 (322.2948, 5451.8)(323.2978, 1076.12) 2 321.2875 321.2875@12.145611 + 1074.1873@12.346039 12.346039 (1075.1945, 1066.19) 1 1074.1873 1074.1873@12.346039 + 271.2509@12.743892 12.743892 (272.2582, 9208.24)(273.2621, 1574.47) 1 271.2509 271.2509@12.743892 + 551.3943@12.930876 12.930876 (552.4016, 3129.35)(553.404, 1031.66) 1 551.3943 551.3943@12.930876 + 545.3449@13.301162 13.301162 (546.3522, 1818.48)(547.3568, 644.13) 1 545.3449 545.3449@13.301162 + 642.316@13.580781 13.580781 (643.3233, 1153.91)(644.3267, 525.36) 1 642.316 642.316@13.580781 + 327.3132@13.888285 13.888285 (328.3205, 1724.24)(329.3241, 404.8) 1 327.3132 327.3132@13.888285 + 803.5458@15.741005 15.741005 (804.553, 10171.76)(805.5569, 4704.95) 1 803.5458 803.5458@15.741005 + 755.5482@16.695126 16.695126 (756.555, 98321.77)(757.55756, 40013.484)(758.5638, 10583.55)(778.5405, 1713.52)(779.5457, 973.53) 2 755.5482 755.5482@16.695126 + 740.5247@16.733927 16.733927 (741.532, 1085.64)(742.5349, 388.87) 1 740.5247 740.5247@16.733927 + 771.5776@19.231884 19.231884 (772.5849, 9975.87)(773.5877, 4338.31)(774.5925, 1369.67) 1 771.5776 771.5776@19.231884 + 609.1763@19.259354 19.259354 (610.1831, 1474.515)(611.1842, 827.34)(612.1824, 662.82) 2 609.1763 609.1763@19.259354 + 451.7431@0.8664503 0.8664503 (452.75024, 1051.8317) 6 451.7431 451.7431@0.8664503 + 499.6734@0.86714935 0.86714935 (500.68097, 1024.585) 2 499.6734 499.6734@0.86714935 + 153.0401@0.90411645 0.90411645 (154.0474, 1197.47) 1 153.0401 153.0401@0.90411645 + 407.1075@0.91911966 0.91911966 (408.1127, 1592.37)(390.1049, 5471.79) 1 407.1075 407.1075@0.91911966 + 138.0507@0.9822038 0.9822038 (139.05786, 1260.4) 3 138.0507 138.0507@0.9822038 + 225.1728@7.7914205 7.7914205 (226.18, 4470.63)(227.1782, 803.98) 1 225.1728 225.1728@7.7914205 + 870.4146@8.094819 8.094819 (871.4245, 827.5867)(872.41943, 726.69336)(873.42444, 1480.05)(874.4176, 298.81)(875.4033, 339.91) 3 870.4146 870.4146@8.094819 + 495.3326@11.820842 11.820842 (496.3399, 35396.33)(497.3425, 7497.74) 1 495.3326 495.3326@11.820842 + 767.5792@13.440256 13.440256 (768.5865, 3665.74)(769.5898, 1802.43)(770.5927, 705.91) 1 767.5792 767.5792@13.440256 + 869.6254@13.445205 13.445205 (870.6327, 1305.11)(871.6391, 708.5) 1 869.6254 869.6254@13.445205 + 832.6366@14.043603 14.043603 (833.6439, 2156.24) 1 832.6366 832.6366@14.043603 + 803.5468@15.01915 15.01915 (804.55383, 23217.824)(805.5565, 10840.85) 2 803.5468 803.5468@15.01915 + 827.5428@16.167986 16.167986 (828.5508, 2392.04)(829.553, 1378.97) 2 827.5428 827.5428@16.167986 + 576.511@16.388021 16.388021 (577.51807, 1056.635)(578.5204, 466.09497) 2 576.511 576.511@16.388021 + 867.6455@19.29199 19.29199 (868.6527, 1901.97)(869.6554, 985.05)(870.6575, 343.0) 1 867.6455 867.6455@19.29199 + 848.6109@19.39446 19.39446 (849.6181, 2679.39) 1 848.6109 848.6109@19.39446 + 131.0692@1.1699841 1.1699841 (132.0765, 7568.59)(133.0815, 552.59) 1 131.0692 131.0692@1.1699841 + 208.0842@3.3154325 3.3154325 (209.0917, 1223.125) 2 208.0842 208.0842@3.3154325 + 191.0574@5.1427794 5.1427794 (192.06476, 1212.05)(174.0545, 785.12) 2 191.0574 191.0574@5.1427794 + 145.0535@5.1437793 5.1437793 (146.0603, 1329.5901) 2 145.0535 145.0535@5.1437793 + 103.0994@11.159121 11.159121 (104.1067, 3888.41) 1 103.0994 103.0994@11.159121 + 103.0996@11.640506 11.640506 (104.1068, 2898.766) 5 103.0996 103.0996@11.640506 + 801.5267@16.510777 16.510777 (802.5344, 2009.8821)(803.5382, 1022.908) 5 801.5267 801.5267@16.510777 + 749.5351@18.2558 18.2558 (750.54254, 1401.3025)(751.5461, 694.85004) 4 749.5351 749.5351@18.2558 + 817.5983@18.242655 18.242655 (818.60596, 2471.286)(819.6083, 1443.516)(820.5846, 1649.5961)(821.58514, 721.94)(822.58594, 365.34) 5 817.5983 817.5983@18.242655 + 795.576@18.230444 18.230444 (796.5833, 1606.6)(797.5893, 295.01)(798.6039, 581.31) 1 795.576 795.576@18.230444 + 700.551@18.251392 18.251392 (701.5578, 1312.2)(702.5611, 876.735)(703.5712, 927.45) 2 700.551 700.551@18.251392 + 791.5804@18.268047 18.268047 (792.58746, 5228.345)(793.5897, 2408.03)(794.5904, 1061.995)(795.5946, 45.15) 2 791.5804 791.5804@18.268047 + 676.3265@18.280441 18.280441 (677.3337, 1773.21)(678.3361, 544.55) 1 676.3265 676.3265@18.280441 + 368.344@18.356436 18.356436 (369.3513, 5651.54)(370.3544, 1584.74) 1 368.344 368.344@18.356436 + 297.0569@0.89817 0.89817 (298.0642, 1685.42) 1 297.0569 297.0569@0.89817 + 246.035@1.2212733 1.2212733 (247.0423, 1287.13) 1 246.035 246.035@1.2212733 + 361.2458@6.1127768 6.1127768 (362.2529, 1281.24) 2 361.2458 361.2458@6.1127768 + 792.0986@8.091448 8.091448 (793.10815, 1070.125) 2 792.0986 792.0986@8.091448 + 969.3529@8.092866 8.092866 (970.36084, 2510.1602)(971.35297, 608.02325) 4 969.3529 969.3529@8.092866 + 616.1712@10.853661 10.853661 (617.1785, 1783.59)(618.1805, 463.66) 1 616.1712 616.1712@10.853661 + 1068.6127@10.917793 10.917793 (1069.62, 1197.16)(1070.624, 783.43) 1 1068.6127 1068.6127@10.917793 + 1161.1222@10.974021 10.974021 (1162.1295, 1098.25)(1163.132, 1335.36)(1164.1372, 388.75) 1 1161.1222 1161.1222@10.974021 + 996.6146@11.058839 11.058839 (997.6219, 1056.46)(998.6213, 560.78) 1 996.6146 996.6146@11.058839 + 328.2411@12.706241 12.706241 (329.2495, 688.87)(351.2303, 11274.52)(352.2331, 2697.98) 1 328.2411 328.2411@12.706241 + 537.3789@12.949367 12.949367 (538.3863, 8796.04)(539.3892, 2541.47)(540.3922, 628.73)(560.3679, 5834.91)(561.3775, 1843.46) 1 537.3789 537.3789@12.949367 + 523.3637@13.42663 13.42663 (524.37036, 3456.005)(525.3738, 1025.85)(546.3528, 2374.485)(547.3557, 718.78503) 2 523.3637 523.3637@13.42663 + 495.3327@13.391922 13.391922 (496.3402, 1053.28)(497.3464, 612.6)(518.3217, 950.9)(519.3256, 343.33) 1 495.3327 495.3327@13.391922 + 825.5871@15.836458 15.836458 (826.5957, 1377.8999)(827.5995, 686.655) 2 825.5871 825.5871@15.836458 + 136.0381@2.341274 2.341274 (137.04535, 1313.075) 2 136.0381 136.0381@2.341274 + 268.08@2.7847152 2.7847152 (269.08716, 650.05505)(291.0692, 1429.0975) 4 268.08 268.08@2.7847152 + 148.1249@10.448263 10.448263 (149.1321, 1084.85) 1 148.1249 148.1249@10.448263 + 372.2994@10.457109 10.457109 (373.30652, 1040.775) 2 372.2994 372.2994@10.457109 + 625.3837@11.010689 11.010689 (626.3914, 1088.73)(627.394, 426.37668) 3 625.3837 625.3837@11.010689 + 551.3947@13.679074 13.679074 (552.40186, 1442.715)(553.40594, 534.605) 2 551.3947 551.3947@13.679074 + 366.3108@14.264707 14.264707 (367.3181, 1156.74) 1 366.3108 366.3108@14.264707 + 812.6738@14.823926 14.823926 (813.68164, 2519.69)(814.6841, 1400.7)(815.6863, 594.52997) 2 812.6738 812.6738@14.823926 + 812.675@16.002062 16.002062 (813.6823, 2981.51)(814.6821, 1556.93)(815.6844, 762.24) 1 812.675 812.675@16.002062 + 818.5649@16.03058 16.03058 (819.5722, 1764.14)(820.5761, 768.34) 1 818.5649 818.5649@16.03058 + 773.5597@16.082695 16.082695 (774.567, 1549.02)(775.5707, 864.13)(776.5696, 440.77) 1 773.5597 773.5597@16.082695 + 777.5299@17.045279 17.045279 (778.53864, 1436.75)(779.54254, 847.6557) 7 777.5299 777.5299@17.045279 + 793.5636@16.97052 16.97052 (794.5709, 1619.31)(795.5718, 1171.41)(796.5782, 377.0) 1 793.5636 793.5636@16.97052 + 815.5852@17.016623 17.016623 (816.5925, 1355.64)(817.5931, 746.21)(818.5984, 543.09) 1 815.5852 815.5852@17.016623 + 189.118@7.958238 7.958238 (190.1253, 1625.98) 1 189.118 189.118@7.958238 + 1038.6631@11.160858 11.160858 (1039.6707, 12092.564)(1061.6523, 5351.415)(1062.6555, 3160.3398)(1063.6667, 3727.36) 2 1038.6631 1038.6631@11.160858 + 461.3452@12.11462 12.11462 (462.3525, 1079.74) 1 461.3452 461.3452@12.11462 + 963.696@12.369577 12.369577 (964.7032, 1239.38)(965.7121, 676.43) 1 963.696 963.696@12.369577 + 427.3654@12.863316 12.863316 (428.3727, 1185.37)(429.3776, 344.66) 1 427.3654 427.3654@12.863316 + 577.9295@13.013932 13.013932 (578.9368, 1847.13) 1 577.9295 577.9295@13.013932 + 635.4694@13.398867 13.398867 (636.477, 1783.38)(637.4801, 644.25) 2 635.4694 635.4694@13.398867 + 463.3654@14.015704 14.015704 (464.3727, 1216.92)(465.3749, 452.94) 1 463.3654 463.3654@14.015704 + 751.5533@14.242132 14.242132 (752.5605, 1178.9)(753.5645, 481.01) 1 751.5533 751.5533@14.242132 + 827.546@14.779611 14.779611 (828.55365, 1535.365)(829.55725, 875.735)(830.56445, 367.14502) 2 827.546 827.546@14.779611 + 819.5788@17.1574 17.1574 (820.586, 19640.41)(821.5881, 8956.22)(822.5911, 2165.89)(823.5954, 116.7) 1 819.5788 819.5788@17.1574 + 753.5649@17.262493 17.262493 (754.5721, 1071.66)(755.5801, 563.18) 1 753.5649 753.5649@17.262493 + 741.5644@17.29981 17.29981 (742.5717, 1016.1)(743.5748, 475.49) 1 741.5644 741.5644@17.29981 + 117.1115@0.9729768 0.9729768 (118.1188, 22713.89)(119.1229, 963.62) 1 117.1115 117.1115@0.9729768 + 261.1204@1.5729457 1.5729457 (262.1277, 1196.69) 1 261.1204 261.1204@1.5729457 + 174.0397@2.632866 2.632866 (175.047, 1116.38) 1 174.0397 174.0397@2.632866 + 479.2697@6.470513 6.470513 (480.277, 11893.23)(481.27936, 3186.795)(482.2778, 1016.45496)(462.2666, 702.0) 2 479.2697 479.2697@6.470513 + 479.269@7.1134086 7.1134086 (480.2763, 1499.21)(481.281, 517.81) 1 479.269 479.269@7.1134086 + 792.7469@8.298324 8.298324 (793.7542, 1930.67) 1 792.7469 792.7469@8.298324 + 792.9288@8.298324 8.298324 (793.9361, 1081.02) 1 792.9288 792.9288@8.298324 + 873.7207@8.299324 8.299324 (874.728, 1018.0) 1 873.7207 873.7207@8.299324 + 871.6215@8.3003235 8.3003235 (872.6288, 2467.2) 1 871.6215 871.6215@8.3003235 + 968.6908@8.3003235 8.3003235 (969.6981, 4640.62) 1 968.6908 968.6908@8.3003235 + 969.0221@8.3003235 8.3003235 (970.0294, 2761.31) 1 969.0221 969.0221@8.3003235 + 872.1183@8.301324 8.301324 (873.1255, 1875.09) 1 872.1183 872.1183@8.301324 + 808.5786@13.425626 13.425626 (809.5857, 3349.05)(810.5964, 2845.9534)(811.6096, 1702.92) 3 808.5786 808.5786@13.425626 + 127.099@5.2787967 5.2787967 (128.1063, 1079.49) 1 127.099 127.099@5.2787967 + 460.8511@5.3667936 5.3667936 (461.8584, 1947.24) 1 460.8511 460.8511@5.3667936 + 462.8481@5.3667755 5.3667755 (463.85504, 2317.7148) 2 462.8481 462.8481@5.3667755 + 210.136@5.5393295 5.5393295 (211.14317, 2016.1566)(212.1469, 414.47) 3 210.136 210.136@5.5393295 + 259.1776@5.614418 5.614418 (260.18457, 1359.5149) 2 259.1776 259.1776@5.614418 + 250.1772@5.8427763 5.8427763 (251.1844, 1032.33) 1 250.1772 250.1772@5.8427763 + 635.3326@6.47276 6.47276 (636.3399, 1107.11)(637.3425, 540.32) 1 635.3326 635.3326@6.47276 + 425.3141@8.235765 8.235765 (873.6239, 372.01)(426.3208, 1110.02) 1 425.3141 425.3141@8.235765 + 370.2504@8.401772 8.401772 (371.2569, 534.97)(353.2475, 1140.16) 1 370.2504 370.2504@8.401772 + 812.5422@8.401772 8.401772 (813.5492, 3867.6)(814.5534, 1936.46)(815.5604, 1351.58)(816.5675, 451.65)(830.5769, 1475.25)(831.5797, 709.63) 1 812.5422 812.5422@8.401772 + 372.2651@8.414771 8.414771 (373.2728, 1966.34)(374.2753, 597.53)(355.2578, 319.46) 1 372.2651 372.2651@8.414771 + 406.2712@8.62578 8.62578 (407.2785, 1022.9) 1 406.2712 406.2712@8.62578 + 409.8486@0.8789872 0.8789872 (410.8559, 1072.16) 1 409.8486 409.8486@0.8789872 + 299.1767@4.015945 4.015945 (300.18494, 1379.328) 5 299.1767 299.1767@4.015945 + 257.1625@5.0776243 5.0776243 (258.1698, 1135.33) 1 257.1625 257.1625@5.0776243 + 258.0082@6.3214192 6.3214192 (259.0155, 1008.1) 1 258.0082 258.0082@6.3214192 + 549.3064@8.863857 8.863857 (550.3136, 1223.84) 1 549.3064 549.3064@8.863857 + 765.4269@12.287793 12.287793 (766.4341, 1604.78)(767.4366, 618.64)(768.4541, 541.02) 1 765.4269 765.4269@12.287793 + 667.3824@12.407749 12.407749 (668.3897, 1087.23)(669.3905, 377.73) 1 667.3824 667.3824@12.407749 + 701.4251@12.40875 12.40875 (702.4324, 2143.62)(703.4377, 1050.9)(704.4411, 428.33) 1 701.4251 701.4251@12.40875 + 805.4612@12.611674 12.611674 (806.4685, 1142.41)(807.493, 478.07) 1 805.4612 805.4612@12.611674 + 651.4149@12.8515835 12.8515835 (652.4222, 3086.65)(653.4231, 1183.97) 1 651.4149 651.4149@12.8515835 + 669.398@12.900565 12.900565 (670.4052, 1070.18)(671.4084, 435.02) 1 669.398 669.398@12.900565 + 687.4453@13.040512 13.040512 (688.4526, 1040.68)(689.4536, 446.34)(690.4576, 540.23) 1 687.4453 687.4453@13.040512 + 509.3481@11.9328785 11.9328785 (510.3555, 27752.66)(511.3578, 6768.99)(512.3605, 1194.15)(532.3367, 1863.9)(533.3397, 590.42) 1 509.3481 509.3481@11.9328785 + 535.3632@12.239246 12.239246 (536.3706, 1588.74)(537.3748, 606.52) 2 535.3632 535.3632@12.239246 + 828.5481@14.706298 14.706298 (829.5553, 1054.03)(830.5581, 396.76) 1 828.5481 828.5481@14.706298 + 779.5457@15.511171 15.511171 (780.553, 11370.13)(781.5559, 5255.73) 1 779.5457 779.5457@15.511171 + 857.5929@16.175503 16.175503 (858.6002, 1529.17)(859.6023, 855.97) 1 857.5929 857.5929@16.175503 + 700.5515@16.798653 16.798653 (701.5588, 10410.17)(702.5618, 4161.76)(703.5671, 936.8) 1 700.5515 700.5515@16.798653 + 807.5791@16.955103 16.955103 (808.5863, 220139.06)(809.5896, 127282.09)(810.592, 28836.33)(811.6036, 5913.62)(812.627, 242.93) 1 807.5791 807.5791@16.955103 + 803.544@17.169914 17.169914 (804.5512, 4763.7)(805.5552, 2474.21) 1 803.544 803.544@17.169914 + 817.5983@17.338156 17.338156 (818.6056, 9236.75)(819.6084, 4919.97) 1 817.5983 817.5983@17.338156 + 604.5424@18.307219 18.307219 (605.5497, 1118.65)(606.5536, 490.0) 1 604.5424 604.5424@18.307219 + 767.5827@19.010382 19.010382 (768.59, 24139.08)(769.5928, 10376.44)(770.5942, 2277.3)(771.5949, 571.77) 1 767.5827 767.5827@19.010382 + 182.0767@1.4033117 1.4033117 (183.084, 1647.04) 1 182.0767 182.0767@1.4033117 + 60.0043@1.4793336 1.4793336 (61.0116, 1158.54) 1 60.0043 60.0043@1.4793336 + 165.0562@1.6043683 1.6043683 (166.0635, 1124.61) 1 165.0562 165.0562@1.6043683 + 153.0757@2.2004914 2.2004914 (154.083, 1108.11) 1 153.0757 153.0757@2.2004914 + 100.0711@3.528811 3.528811 (101.07825, 1100.6849) 2 100.0711 100.0711@3.528811 + 517.3136@11.778335 11.778335 (518.3209, 1316.83)(519.3248, 434.37) 1 517.3136 517.3136@11.778335 + 281.2708@12.993332 12.993332 (282.27856, 3316.115)(283.28055, 708.91003)(304.2592, 4688.58)(305.262, 784.45) 2 281.2708 281.2708@12.993332 + 754.5519@13.6675205 13.6675205 (755.55884, 2715.165)(756.5603, 1479.1001)(757.5687, 541.645) 2 754.5519 754.5519@13.6675205 + 624.5106@15.037474 15.037474 (625.5179, 2077.28)(626.521, 947.65) 1 624.5106 624.5106@15.037474 + 862.5558@16.428253 16.428253 (863.56323, 1684.595) 2 862.5558 862.5558@16.428253 + 808.582@16.83975 16.83975 (809.5893, 93239.05)(810.5917, 20978.66)(811.5971, 3482.18)(812.6077, 407.35) 1 808.582 808.582@16.83975 + 80.0266@6.194306 6.194306 (81.0339, 1024.45) 1 80.0266 80.0266@6.194306 + 166.0986@7.032201 7.032201 (167.1059, 1159.78) 1 166.0986 166.0986@7.032201 + 394.1414@7.2787685 7.2787685 (395.1487, 1307.97) 1 394.1414 394.1414@7.2787685 + 872.5189@8.097934 8.097934 (873.5261, 1534.01) 1 872.5189 872.5189@8.097934 + 230.097@8.785869 8.785869 (231.1043, 3720.33)(232.1077, 638.87) 1 230.097 230.097@8.785869 + 312.1752@9.068865 9.068865 (313.1828, 2173.46)(314.1864, 468.28)(335.1635, 976.31) 1 312.1752 312.1752@9.068865 + 212.0866@9.325871 9.325871 (213.0939, 1026.62) 1 212.0866 212.0866@9.325871 + 394.1209@9.328859 9.328859 (395.1282, 2461.53)(396.1316, 677.49)(397.1268, 335.67) 1 394.1209 394.1209@9.328859 + 1108.4478@13.352717 13.352717 (1109.455, 5085.71)(1110.4576, 3065.78)(1111.457, 1689.56)(1112.4578, 514.12)(1131.4371, 823.91)(1132.439, 516.01) 1 1108.4478 1108.4478@13.352717 + 747.5195@17.177414 17.177414 (748.5274, 1117.115)(749.5305, 519.035) 2 747.5195 747.5195@17.177414 + 285.1151@1.3199128 1.3199128 (286.12286, 3078.1025)(287.12595, 535.805) 4 285.1151 285.1151@1.3199128 + 86.0367@3.2246838 3.2246838 (87.04414, 1117.405) 2 86.0367 86.0367@3.2246838 + 383.2874@7.452804 7.452804 (384.2947, 1422.13) 1 383.2874 383.2874@7.452804 + 517.3142@11.563294 11.563294 (518.3215, 17636.92)(519.3246, 4270.66)(520.3339, 914.18) 1 517.3142 517.3142@11.563294 + 546.3487@12.449155 12.449155 (547.356, 4374.72)(548.3592, 853.23) 3 546.3487 546.3487@12.449155 + 332.2917@12.502601 12.502601 (333.2984, 605.37)(350.3255, 3295.25)(351.3282, 787.93)(352.3215, 940.54) 1 332.2917 332.2917@12.502601 + 749.5355@17.294628 17.294628 (750.5427, 2115.5)(751.5459, 680.35) 1 749.5355 749.5355@17.294628 + 775.5512@18.992748 18.992748 (776.5585, 2557.05)(777.5611, 1213.49)(778.565, 409.31) 1 775.5512 775.5512@18.992748 + 831.575@19.184473 19.184473 (832.5823, 5470.07)(833.5853, 2956.28) 1 831.575 831.575@19.184473 + 745.5646@19.206043 19.206043 (746.5718, 2018.72)(747.5742, 1066.24)(748.5774, 322.28) 1 745.5646 745.5646@19.206043 + 942.9816@0.86145467 0.86145467 (943.9886, 3271.0134)(944.9907, 327.865) 3 942.9816 942.9816@0.86145467 + 833.8027@8.45328 8.45328 (834.8099, 1026.13) 1 833.8027 833.8027@8.45328 + 926.4482@8.45428 8.45428 (927.4555, 1131.79) 1 926.4482 926.4482@8.45428 + 833.5038@8.45428 8.45428 (834.5111, 1039.16) 1 833.5038 833.5038@8.45428 + 926.5619@8.457274 8.457274 (927.5692, 1041.19) 1 926.5619 926.5619@8.457274 + 821.5942@13.467852 13.467852 (822.6011, 1783.21)(823.6048, 892.595) 2 821.5942 821.5942@13.467852 + 528.3664@13.477253 13.477253 (529.3737, 2536.24)(530.3777, 835.51) 1 528.3664 528.3664@13.477253 + 466.3765@13.480238 13.480238 (467.3837, 8043.93)(468.3875, 2325.49)(469.3837, 448.54) 1 466.3765 466.3765@13.480238 + 821.5937@14.064963 14.064963 (822.601, 1184.12)(823.6022, 632.94) 1 821.5937 821.5937@14.064963 + 859.6085@18.267775 18.267775 (860.6157, 1659.55)(861.6194, 1024.13) 1 859.6085 859.6085@18.267775 + 309.1588@0.93007547 0.93007547 (310.1651, 597.89)(292.1556, 5579.88) 1 309.1588 309.1588@0.93007547 + 158.0189@1.5651611 1.5651611 (159.0262, 1106.41) 1 158.0189 158.0189@1.5651611 + 265.1438@8.765612 8.765612 (266.1511, 1240.7) 1 265.1438 265.1438@8.765612 + 774.5933@12.643849 12.643849 (775.6007, 1903.4199)(776.6033, 936.58496) 2 774.5933 774.5933@12.643849 + 843.6421@13.00361 13.00361 (844.65137, 1230.6)(845.65326, 704.46)(846.6454, 617.71497) 4 843.6421 843.6421@13.00361 + 505.3627@13.132325 13.132325 (506.37, 9902.16)(507.3726, 2898.88)(508.3759, 661.43) 1 505.3627 505.3627@13.132325 + 847.6436@14.04277 14.04277 (848.6506, 1997.44)(849.6542, 1086.3)(850.6435, 534.92)(870.6346, 599.17)(871.638, 449.32) 1 847.6436 847.6436@14.04277 + 901.5668@14.818434 14.818434 (902.5741, 1173.31)(903.5747, 658.73) 1 901.5668 901.5668@14.818434 + 791.5505@18.237226 18.237226 (792.5577, 11843.7)(793.5609, 5542.74) 1 791.5505 791.5505@18.237226 + 162.0095@0.79410195 0.79410195 (163.01788, 762.32996)(145.0061, 2874.855) 4 162.0095 162.0095@0.79410195 + 101.9893@0.79133266 0.79133266 (102.9976, 783.8234)(120.0231, 1809.4199) 3 101.9893 101.9893@0.79133266 + 231.9249@0.8680593 0.8680593 (232.93175, 1223.875) 2 231.9249 231.9249@0.8680593 + 229.9308@0.8576657 0.8576657 (230.93797, 3573.9968) 3 229.9308 229.9308@0.8576657 + 197.1405@6.531127 6.531127 (198.1481, 1097.3201) 2 197.1405 197.1405@6.531127 + 533.3097@9.145185 9.145185 (534.3185, 1460.0249) 2 533.3097 533.3097@9.145185 + 436.1865@9.489279 9.489279 (437.1937, 1006.72) 1 436.1865 436.1865@9.489279 + 190.1717@10.537316 10.537316 (191.179, 5055.83)(192.1818, 832.9) 1 190.1717 190.1717@10.537316 + 757.5617@13.723052 13.723052 (758.569, 1175.57)(759.5731, 482.22)(760.5831, 1530.45)(761.5885, 602.15)(762.5867, 603.71) 1 757.5617 757.5617@13.723052 + 588.3188@12.832962 12.832962 (589.3261, 2624.58)(590.3295, 1047.72) 1 588.3188 588.3188@12.832962 + 650.3094@12.833957 12.833957 (651.3167, 1073.9)(652.3186, 414.81) 1 650.3094 650.3094@12.833957 + 523.363@13.015144 13.015144 (524.3703, 2708.58)(525.3742, 837.85)(546.3522, 1241.12) 1 523.363 523.363@13.015144 + 148.0157@14.038992 14.038992 (149.023, 1268.88) 1 148.0157 148.0157@14.038992 + 843.5166@17.053593 17.053593 (844.5239, 1074.46)(845.5272, 546.91) 1 843.5166 843.5166@17.053593 + 739.5163@17.200426 17.200426 (740.5247, 1249.4366)(741.5271, 671.94495) 3 739.5163 739.5163@17.200426 + 817.5971@17.790308 17.790308 (818.6056, 2812.286)(819.60803, 1505.996)(820.5856, 1824.0049) 5 817.5971 817.5971@17.790308 + 791.5826@17.847027 17.847027 (792.5892, 5792.2075)(793.5919, 2739.1775)(794.59265, 984.325)(795.595, 143.25) 4 791.5826 791.5826@17.847027 + 57.0585@0.98414576 0.98414576 (58.0658, 7163.35) 1 57.0585 57.0585@0.98414576 + 187.0948@1.3162206 1.3162206 (188.1021, 1138.24) 1 187.0948 187.0948@1.3162206 + 156.0754@3.7609742 3.7609742 (157.0826, 1116.33) 1 156.0754 156.0754@3.7609742 + 677.4622@13.239327 13.239327 (678.4696, 10254.45)(679.4721, 3699.15)(680.484, 1094.78)(700.4508, 650.45)(701.4496, 344.23) 1 677.4622 677.4622@13.239327 + 827.5449@14.558108 14.558108 (828.5522, 1614.79)(829.5574, 1065.51)(830.5578, 353.9) 1 827.5449 827.5449@14.558108 + 802.5355@15.7526245 15.7526245 (803.5427, 1191.14) 1 802.5355 802.5355@15.7526245 + 776.5541@19.12561 19.12561 (777.5614, 2367.82)(778.5655, 397.8) 1 776.5541 776.5541@19.12561 + 117.115@0.6999995 0.6999995 (118.12229, 39818.438)(119.12527, 2361.7532)(100.1118, 2209.82) 3 117.115 117.115@0.6999995 + 99.0682@3.6029618 3.6029618 (100.0755, 6915.39) 1 99.0682 99.0682@3.6029618 + 88.0528@4.1949387 4.1949387 (89.06025, 2155.375) 2 88.0528 88.0528@4.1949387 + 226.1197@6.989699 6.989699 (227.127, 7255.15)(228.1302, 872.52)(244.1535, 4487.17)(245.1568, 633.55)(249.1093, 493.31) 1 226.1197 226.1197@6.989699 + 436.185@10.541938 10.541938 (437.1923, 4475.92)(438.1966, 1175.44) 1 436.185 436.185@10.541938 + 436.1861@10.63191 10.63191 (437.1933, 1313.47) 1 436.1861 436.1861@10.63191 + 820.5752@18.261786 18.261786 (821.58435, 1307.235)(822.5892, 630.55) 2 820.5752 820.5752@18.261786 + 54.0114@0.9169925 0.9169925 (109.0288, 1388.16)(55.0196, 1018.34) 1 54.0114 54.0114@0.9169925 + 113.0833@3.7078145 3.7078145 (114.0906, 1330.17) 1 113.0833 113.0833@3.7078145 + 497.7573@5.144568 5.144568 (498.7646, 1286.68) 1 497.7573 497.7573@5.144568 + 477.7963@5.1445265 5.1445265 (478.80695, 4507.52) 2 477.7963 477.7963@5.1445265 + 176.0318@5.147103 5.147103 (177.0394, 784.62)(159.028, 1060.1799)(194.0655, 2711.95) 2 176.0318 176.0318@5.147103 + 495.7586@5.146568 5.146568 (496.7658, 1240.63) 1 495.7586 495.7586@5.146568 + 795.6062@13.799566 13.799566 (796.611, 372.08)(797.6224, 498.64)(813.6405, 2364.34)(814.6404, 869.8)(815.6476, 634.85)(816.6295, 236.07) 1 795.6062 795.6062@13.799566 + 129.0576@7.147336 7.147336 (130.0648, 1023.29) 1 129.0576 129.0576@7.147336 + 1134.662@11.018512 11.018512 (1135.6696, 2365.81)(1136.669, 1478.33)(1137.6775, 587.62)(1157.651, 1710.62)(1158.6545, 1141.16)(1159.6547, 422.32) 1 1134.662 1134.662@11.018512 + 375.3334@13.800554 13.800554 (376.34085, 2124.51)(377.344, 668.94) 2 375.3334 375.3334@13.800554 + 799.6083@13.805487 13.805487 (800.6156, 4406.53)(801.6194, 2165.74)(802.6223, 1009.37) 1 799.6083 799.6083@13.805487 + 702.2048@14.278462 14.278462 (703.2121, 1090.36)(704.2099, 769.94) 1 702.2048 702.2048@14.278462 + 818.6006@18.299957 18.299957 (819.6079, 1222.15) 1 818.6006 818.6006@18.299957 + 224.1244@1.0702683 1.0702683 (225.1317, 1215.71) 1 224.1244 224.1244@1.0702683 + 88.0531@1.4564158 1.4564158 (89.0603, 2463.58) 1 88.0531 88.0531@1.4564158 + 128.0444@1.6134741 1.6134741 (129.0517, 1509.04) 1 128.0444 128.0444@1.6134741 + 249.1701@5.7882185 5.7882185 (250.1771, 3011.85)(251.18085, 577.635) 2 249.1701 249.1701@5.7882185 + 1002.1475@11.318992 11.318992 (1003.1548, 1002.22)(1004.1566, 415.08) 1 1002.1475 1002.1475@11.318992 + 497.2803@14.276246 14.276246 (498.2876, 1011.13)(499.2931, 357.68)(480.2768, 732.44) 1 497.2803 497.2803@14.276246 + 68.0627@1.72494 1.72494 (69.0698, 934.18)(86.0966, 33653.32)(87.0997, 1808.22) 1 68.0627 68.0627@1.72494 + 294.1216@4.2657976 4.2657976 (295.1289, 1077.81) 1 294.1216 294.1216@4.2657976 + 380.2537@10.594003 10.594003 (381.261, 2491.33)(382.2647, 651.83) 1 380.2537 380.2537@10.594003 + 735.401@12.861644 12.861644 (736.4083, 1002.58)(737.4114, 435.63) 1 735.401 735.401@12.861644 + 347.2824@12.976751 12.976751 (348.2896, 4762.87)(349.293, 1148.0) 1 347.2824 347.2824@12.976751 + 653.3229@13.025798 13.025798 (654.3302, 1138.47)(655.3351, 413.97) 1 653.3229 653.3229@13.025798 + 255.2914@11.434163 11.434163 (256.2987, 1740.36)(257.3026, 395.86) 1 255.2914 255.2914@11.434163 + 426.2947@12.790949 12.790949 (427.302, 2303.54)(428.3088, 590.94) 1 426.2947 426.2947@12.790949 + 373.3224@13.041309 13.041309 (374.3297, 2090.51)(375.3313, 535.61)(376.3181, 2311.12)(377.321, 586.14) 1 373.3224 373.3224@13.041309 + 359.3158@14.387837 14.387837 (360.3231, 1392.1)(361.3273, 416.74) 1 359.3158 359.3158@14.387837 + 819.5694@16.039852 16.039852 (820.5767, 1007.16) 1 819.5694 819.5694@16.039852 + 818.6007@17.530384 17.530384 (819.6084, 3495.77) 2 818.6007 818.6007@17.530384 + 497.2799@6.431043 6.431043 (498.2876, 734.84)(480.2766, 5321.25)(481.2799, 1596.55) 1 497.2799 497.2799@6.431043 + 237.1698@7.3768606 7.3768606 (238.177, 2162.0) 1 237.1698 237.1698@7.3768606 + 198.1615@7.3778605 7.3778605 (199.1703, 663.05)(216.1951, 4142.06)(217.1988, 604.99) 1 198.1615 198.1615@7.3778605 + 779.5445@13.025953 13.025953 (780.5518, 2011.1)(781.5559, 1106.79)(782.5656, 3066.5)(783.5697, 1289.13)(784.5818, 1327.55) 1 779.5445 779.5445@13.025953 + 713.6088@18.272451 18.272451 (714.6161, 1336.15)(715.6191, 746.98) 1 713.6088 713.6088@18.272451 + 382.1075@1.1179796 1.1179796 (383.1147, 2258.98)(384.117, 394.95) 1 382.1075 382.1075@1.1179796 + 337.079@4.2277527 4.2277527 (338.08643, 1912.6399) 2 337.079 337.079@4.2277527 + 601.4296@11.103002 11.103002 (602.4368, 1100.45)(603.4435, 403.85) 1 601.4296 601.4296@11.103002 + 334.2716@11.753552 11.753552 (335.2784, 478.88)(352.3055, 2579.48)(353.3082, 601.45) 1 334.2716 334.2716@11.753552 + 135.0545@3.1118586 3.1118586 (136.0618, 1240.42) 1 135.0545 135.0545@3.1118586 + 100.0518@4.731004 4.731004 (101.0591, 1000.24) 1 100.0518 100.0518@4.731004 + 335.3183@13.656118 13.656118 (336.3254, 7451.7)(337.3289, 1604.07)(358.308, 2688.69) 1 335.3183 335.3183@13.656118 + 795.5981@14.050043 14.050043 (796.6056, 776.65)(797.6141, 184.53)(798.6058, 353.86)(813.6318, 2028.46)(814.634, 1068.44)(815.6357, 330.45) 1 795.5981 795.5981@14.050043 + 727.2672@8.010705 8.010705 (728.2744, 1119.82) 1 727.2672 727.2672@8.010705 + 1066.1246@11.114367 11.114367 (1067.132, 1868.05)(1068.1301, 451.69) 1 1066.1246 1066.1246@11.114367 + 1018.1258@11.586508 11.586508 (1019.1331, 1196.59) 1 1018.1258 1018.1258@11.586508 + 612.175@19.666445 19.666445 (613.1823, 1767.65)(614.1803, 754.31) 1 612.175 612.175@19.666445 + 57.0218@1.1262362 1.1262362 (58.0296, 814.25)(75.0556, 4547.96) 1 57.0218 57.0218@1.1262362 + 122.0477@1.1862575 1.1862575 (123.055, 1111.31) 1 122.0477 122.0477@1.1862575 + 190.1718@10.368986 10.368986 (191.179, 13117.54)(192.1825, 1938.19) 1 190.1718 190.1718@10.368986 + 765.5309@17.131447 17.131447 (766.5455, 277.42)(748.5274, 1455.69)(749.5294, 779.28) 1 765.5309 765.5309@17.131447 + 272.0414@1.0231675 1.0231675 (273.0487, 1070.67) 1 272.0414 272.0414@1.0231675 + 126.0312@4.186187 4.186187 (127.0385, 1186.56) 1 126.0312 126.0312@4.186187 + 544.3353@11.164894 11.164894 (545.3426, 13466.65)(546.3445, 2209.17)(547.3404, 541.69) 1 544.3353 544.3353@11.164894 + 797.5544@13.449709 13.449709 (798.558, 780.38)(799.5537, 409.52)(780.5514, 9719.17)(781.5548, 3995.91)(782.5663, 14263.27)(783.5703, 6680.96)(784.5808, 3253.36)(785.5874, 1208.9) 1 797.5544 797.5544@13.449709 + 805.5601@14.046995 14.046995 (806.5674, 500.06)(807.5698, 453.05)(808.5818, 2853.52) 1 805.5601 805.5601@14.046995 + 875.5458@14.896817 14.896817 (876.5531, 1376.4)(877.556, 753.36) 1 875.5458 875.5458@14.896817 + 793.5603@16.423357 16.423357 (794.5676, 1863.56)(795.5709, 1066.61)(796.5823, 371.25) 1 793.5603 793.5603@16.423357 + 248.1747@10.179659 10.179659 (249.182, 1580.57) 1 248.1747 248.1747@10.179659 + 791.5816@18.082386 18.082386 (792.5888, 7275.65)(793.591, 3566.76)(794.5938, 1353.14) 1 791.5816 791.5816@18.082386 + 783.5783@18.131014 18.131014 (784.5856, 118401.32)(785.5913, 52127.83)(786.5993, 19137.55)(787.6035, 4943.7) 1 783.5783 783.5783@18.131014 + 121.0454@0.8061602 0.8061602 (122.0527, 13417.27) 1 121.0454 121.0454@0.8061602 + 605.2884@10.849439 10.849439 (606.2957, 1020.64)(607.2949, 369.64) 1 605.2884 605.2884@10.849439 + 760.5789@13.676867 13.676867 (761.5862, 2108.82)(762.5845, 1092.59)(763.5684, 2325.88)(764.5662, 1161.62)(765.5654, 367.77) 1 760.5789 760.5789@13.676867 + 447.7485@0.8702147 0.8702147 (448.7558, 1064.31) 1 447.7485 447.7485@0.8702147 + 546.349@12.260263 12.260263 (547.3563, 2226.54)(548.3611, 461.96) 1 546.349 546.349@12.260263 + 189.1355@1.1179472 1.1179472 (190.1428, 1489.49) 1 189.1355 189.1355@1.1179472 + 688.5506@18.294365 18.294365 (689.5579, 1524.62)(690.5627, 698.62) 1 688.5506 688.5506@18.294365 + 154.071@0.8411804 0.8411804 (155.0783, 1215.22) 1 154.071 154.071@0.8411804 + 133.1092@1.2603526 1.2603526 (134.1165, 1041.07) 1 133.1092 133.1092@1.2603526 + 795.5827@13.436362 13.436362 (796.5899, 1271.83)(797.5953, 788.74) 1 795.5827 795.5827@13.436362 + 823.5623@13.437349 13.437349 (824.5695, 1195.6)(825.5719, 466.96) 1 823.5623 823.5623@13.437349 + 227.1877@13.2222185 13.2222185 (228.1949, 4569.15)(229.1983, 782.82) 1 227.1877 227.1877@13.2222185 + 733.5609@13.758476 13.758476 (734.5682, 1202.01)(735.5706, 1007.25) 1 733.5609 733.5609@13.758476 + 159.1253@1.2219409 1.2219409 (160.1325, 2794.57) 1 159.1253 159.1253@1.2219409 + 242.0895@3.3626742 3.3626742 (507.1705, 524.12)(243.0974, 613.45)(265.0786, 6378.85)(266.0814, 780.13) 1 242.0895 242.0895@3.3626742 + 89.0841@1.0019691 1.0019691 (90.0898, 776.28)(72.0811, 3579.89) 1 89.0841 89.0841@1.0019691 + 289.1514@4.2017 4.2017 (290.1587, 1592.11) 1 289.1514 289.1514@4.2017 + 1087.6628@11.075197 11.075197 (1088.6702, 3543.51)(1089.6752, 1203.65) 1 1087.6628 1087.6628@11.075197 + 731.5457@18.174116 18.174116 (732.553, 4377.36)(733.5558, 2321.85)(734.5625, 538.84) 1 731.5457 731.5457@18.174116 + 83.0703@0.90400046 0.90400046 (84.0775, 1117.32) 1 83.0703 83.0703@0.90400046 + 685.5664@13.10679 13.10679 (686.5737, 2005.65)(687.5741, 759.0) 1 685.5664 685.5664@13.10679 + 402.2249@12.376114 12.376114 (403.2323, 2121.03)(425.2139, 1995.59)(426.2163, 471.7) 1 402.2249 402.2249@12.376114 + METABOLITES_END #END