#METABOLOMICS WORKBENCH hormel101_20170203_114724 DATATRACK_ID:839 STUDY_ID:ST000549 ANALYSIS_ID:AN000837 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           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
#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	19jan15_04-r001	19jan15_05	19jan15_06	19jan15_07	19jan15_08	19jan15_09	19jan15_10	19jan15_11	19jan15_12	19jan15_13	19jan15_14	19jan15_15	19jan15_16	19jan15_17	19jan15_18	19jan15_19	19jan15_20	19jan15_21	19jan15_22	19jan15_23	19jan15_24	19jan15_25	19jan15_26	19jan15_27	19jan15_28	19jan15_29	19jan15_30	19jan15_31	19jan15_32	19jan15_33	19jan15_34	19jan15_35	19jan15_36	19jan15_37	19jan15_38	19jan15_39	19jan15_40
Factors	Group:HFD | Genotype:Irlox	Group:IGFRKO | Genotype:IGFR -/-	Group:CD | Genotype:Irlox	Group:MIGIRKO | Genotype:IR -/- IGFR -/-	Group:CD | Genotype:Irlox	Group:Control | Genotype:IGFR lox	Group:HFD | Genotype:Irlox	Group:HFD | Genotype:Irlox	Group:IGFRKO | Genotype:IGFR -/-	Group:Control | Genotype:IGFR lox	Group:IGFRKO | Genotype:IGFR -/-	Group:MIGIRKO | Genotype:IR -/- IGFR -/-	Group:MIGIRKO | Genotype:IR -/- IGFR -/-	Group:IRKO | Genotype:IR -/-	Group:Control | Genotype:Irlox	Group:IRKO | Genotype:IR -/-	Group:Control | Genotype:Irlox	Group:Control | Genotype:Irlox	Group:IRKO | Genotype:IR -/-	Group:IGFRKO | Genotype:IGFR -/-	Group:MIGIRKO | Genotype:IR -/- IGFR -/-	Group:CD | Genotype:Irlox	Group:IRKO | Genotype:IR -/-	Group:Control | Genotype:IRlox IGFR lox	Group:Control | Genotype:Irlox	Group:Control | Genotype:IRlox IGFR lox	Group:Control | Genotype:IRlox IGFR lox	Group:Control | Genotype:IGFR lox	Group:Control | Genotype:IRlox IGFR lox	Group:MIGIRKO | Genotype:IR -/- IGFR -/-	Group:IGFRKO | Genotype:IGFR -/-	Group:CD | Genotype:Irlox	Group:MIGIRKO | Genotype:IR -/- IGFR -/-	Group:IRKO | Genotype:IR -/-	Group:HFD | Genotype:Irlox	Group:HFD | Genotype:Irlox	Group:IRKO | Genotype:IR -/-
C18 H10 N6 O10 S2	1	19385	20999	4893	30762	1	1	1	1	17247	16662	1	14717	1	15675	16712	16533	12163	11762	1	8367	20662	15774	1	1	10495	8879	12177	9873	1	11857	14737	1	14097	1	1	1
Demethyltexasin	1	51097	6944	1	14903	12476	1	1	18847	47502	35075	98365	132448	1	1	1	2903	3768	10204	66476	55168	1	1	1	1	1	7483	1	86393	1	10017	1	1	1	1	1	1
L-Ascorbic acid	27454	22009	49156	23234	1	29133	31227	1	46607	33902	24531	46097	37551	20231	23619	22971	28940	19640	7301	22405	27331	39128	13527	24168	1	27638	20764	22226	12356	1	20321	27812	16745	46421	19842	17945	26578
140.0108@0.742	1	1	4627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Hispidol	1	136540	21957	11968	26068	17615	1	1	33308	122692	91106	105949	167883	10699	1	8680	26858	17878	40051	192807	67178	1	13128	17774	1	27106	28838	15546	127063	1	35255	1	18534	1	1	1	1
378.7542@0.7529944	1	1	31362	1	1	17433	20117	1	47444	15184	31948	1	10194	20674	1	23270	18458	1	15530	1	25694	1	1	1	1	7002	1	17191	1	1	17014	16185	1	1	1	17864	1
380.7522@0.75264007	1	1	29077	1	1	17197	15244	1	8753	17537	31266	11889	11426	18155	1	21747	20755	12093	16057	14458	26416	1	20026	1	1	1	1	18150	1	1	1	16044	1	1	13153	20784	1
191.9953@0.7545973	1	1	2224	3653	1	1	1	1	1	1	1	1	1	2533	3437	3416	1	1	1	1	1	1	1	2545	1	1	2929	1	1	1	2253	2677	1	1	3300	2761	1
C15 H14 O6 S	1	307956	110413	1	376268	224829	1	1	42656	110399	288853	7731	1	97088	200713	149319	127762	189982	111577	284988	1	20866	88047	1	138004	1	168535	271632	1	1	167407	142985	1	66736	1	1	121189
(R)-benzyl Mandelate	1	471491	229638	1	675818	363072	1	1	296165	200083	520099	21305	1	206552	321387	270682	239191	378619	191507	437718	1	196936	155782	1	240106	1	267444	493732	1	1	314321	239088	1	222016	1	1	201148
C15 H10 N3 O5 S	1	1	18600	1	39310	25987	1	1	11087	10945	1	1	1	17675	1	1	11531	21454	1	1	1	27213	1	1	1	1	1	23328	1	1	28876	1	1	1	1	1	1
C9 H9 N5 O3 S	1	1	4602	1	3014	4615	3331	1	1	5704	6423	4390	4166	2958	1	2743	3299	1	1	7746	4584	1	1	1	1	1	1	3684	1	1	1	1	1	3565	1	2413	1
C15 H3 N2 O2	1	1	6657	1	6822	10502	1	1	11050	1	1	1	1	14873	1	1	1	10918	1	1	1	4349	1	1	1	1	1	1	1	1	1	4378	1	1	1	1	1
4-Hydroxyindole	57310	1276917	258258	81098	323262	773896	104508	86001	509468	663977	559700	231527	225290	207645	70806	250383	588421	262920	313793	337388	130045	115525	310187	312892	199423	175730	235527	747261	93552	31552	425484	266414	235035	206369	123487	70429	117031
246.0798@0.80109215	1	66483	17537	6958	9498	35290	1	1	23798	29559	18288	12290	11627	11146	1	1	14150	8152	13356	12429	4993	6264	1	13021	7767	7061	10277	29377	1	1	18403	11394	9678	5550	5938	1	1
C8 H6 N O	1	278842	106177	1	105601	176501	1	1	118256	147213	135323	66752	61993	55801	1	1	135782	85751	72949	80860	35897	1	11303	71614	1	46642	77025	147222	1	1	116574	72367	53619	48986	27999	1	1
189.0095@0.8051261	1	7719	2860	1	1	1	1	1	4598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5356	1	1	1	1	1	1	1	1	1
C13 H5 O2 S2	9591	1	15714	1	1	1	11394	11763	1	1	8301	1	13339	12278	1	11989	1	9281	17473	6972	10967	10179	15545	18331	1	11885	1	1	9750	5887	1	15468	18595	16599	11674	1	12891
C27 H44	44429	128283	82744	32272	108081	43360	88058	42621	54633	40224	47573	55491	37223	41490	72628	43866	48068	53996	42607	48743	42816	30659	41052	47171	29900	40737	32571	40426	40033	27152	43325	30378	26042	84368	52547	70635	82657
241.0047@0.8333611	1	1	9122	1	11367	29271	1	1	29296	1	1	1	1	1	1	1	1	1	1	1	1	7862	1	1	1	1	1	1	1	1	12420	1	1	1	1	1	1
161.0478@0.8330316	1	1	16956	1	23125	69736	1	1	75496	1	1	1	1	14042	1	1	1	1	1	1	1	15808	1	1	1	1	1	1	1	1	28705	1	1	1	1	1	1
201.009@0.8472592	1	3603	4609	1	1	1	1	1	1	1	1	1	1	1	1	1	3234	1	1	1	1	1	1	1	1944	1	1	1	1	1	1	1	1	1	1	1	1
C27 H42	32755	9774	24697	15344	30264	6480	42190	32283	11253	5701	14402	11151	11266	12681	25734	15254	12956	31343	26097	11755	8196	11123	9203	8777	31679	19494	26454	4283	10249	12405	5629	5584	1	1	10855	33073	24387
C32 H36 N3 O3	15672	1	10333	1	1	5023	10803	12908	4862	1	4548	8444	7534	8257	1	8107	3609	7001	9243	3427	8835	6643	8639	8496	1	6426	1	3051	8658	9492	5022	6305	7747	1	11488	1	1
C22 H O	1	23172	14180	1	1	16063	1	1	1	8323	23547	8113	12041	7696	1	3427	19438	1	1	1	1	1	1	1	8699	1	1	14682	1	1	7620	1	1	12652	1	1	1
245.0365@0.88503504	1	13630	8458	1	1	5488	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16272	1	1	1	1	1	1	1	1	1	1
Epinephrine sulfate	1	1111927	181810	261611	112878	1368168	1	1	1221092	443328	1481126	382746	538723	474002	239356	145223	598609	322021	274807	115818	377156	36358	41426	464734	109120	346477	43656	781666	393388	76685	760296	37366	249385	244243	1	1	132146
C7 H4 N6 O4 S	1	227595	98337	108207	69167	184849	1	1	137695	135103	145949	163534	156215	113381	96184	86986	140002	146497	147272	62635	135014	24350	29676	186985	69938	156487	26097	161054	137093	55102	172444	29905	139612	125365	1	1	81919
C27 H42 + 0.90270376	17832	5379	11392	16593	57407	9329	36523	8586	8803	1	28883	6844	11282	13833	23302	12871	29470	29611	30335	11176	6595	8445	14397	7713	39518	42087	23738	8497	10147	101638	7973	1	1	3405	1	1	9847
GW 9662	1	19758	19457	1	20621	30097	1	1	80850	56492	70488	1	1	33130	1	3275	22929	19804	25098	60892	21989	1	1	1	1	1	1	78506	1	1	39004	17561	1	1	1	1	1
C9 H13 N O7 S	1	15940	22622	40001	14774	42645	3238	1	31182	73950	112376	42787	35311	48039	21773	17915	90285	42448	33701	95904	28267	1	13479	35520	15514	54331	44636	55055	21703	4264	24158	6388	29362	29407	1	1	34999
697.5497@0.9405877	1	1	7134	1	19436	8369	9902	1	9132	1	1	5112	10081	1	1	4216	5553	1	1	1	1	1	6374	1	1	1	1	5294	1	1	1	1	1	4751	1	1	3845
459.2862@0.9637725	1	11691	5801	95726	7711	1	1	1	1	9673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10818	1	1	1	1	8177	1	1	1	1	1	1
464.2413@0.95696414	1	1	3890	47979	1	1	1	1	1	3894	1	1	1	1	1	1	1	1	2913	1	1	1	1	1	1	5376	1	1	1	1	1	1	1	1	1	1	1
367.2329@1.0122453	1	1	6877	9776	1	1	5656	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2753	1	62167	1
C15 H35 Cl N3 S2	19827	8201	20514	13190	25846	26755	19389	1	18911	26186	13473	1	13245	11052	16439	1	4530	1	1	18902	5306	1	1	8230	1	8655	6465	7646	9327	1	1	12189	1	6420	6636	15661	3749
C8 H4 N3 O5 S	26728	47107	30247	1	1	34995	37593	1	31299	52470	40724	18098	28175	25873	37882	20503	46924	1	30407	42876	32112	31889	1	11725	25106	45944	41423	27864	1	3279	16145	28980	1	1	1	1	36600
1198.7661@0.9932943	1	34030	21568	1	1	1	12866	1	18056	12044	1	31064	21180	13933	1	16198	11176	8504	1	1	18892	8836	1	26498	15883	1	1	19994	10696	5014	10951	13675	1	1	8404	1	1
1193.809@0.9948869	1	1417485	991037	19229	1	445214	466549	1	1175327	532714	569632	1281546	980693	449846	1	765748	653034	254558	274329	421538	1	276570	146314	886736	696489	1	1	879042	294191	382142	962340	396819	1	92070	167293	138082	138791
Norepinephrine sulfate	36789	1	97584	37783	76604	98169	101759	1	116165	126842	123940	64752	76730	60947	59258	55096	138586	27910	57384	133630	138316	75302	25886	23544	49499	91938	82566	83470	12833	9070	62311	66297	20247	60603	12034	14960	62799
1209.8032@0.9963271	1	1	142864	1	1	1	62626	1	1	81202	1	171333	144189	1	1	97349	90520	27997	47841	55959	1	38819	1	1	1	1	1	1	37533	91071	138852	65352	1	11258	30253	1	25184
1137.7476@0.99676216	1	29898	18318	1	1	1	9228	1	19848	10150	13199	24541	17461	1	1	13286	10855	1	5054	8808	21994	5949	1	24427	11425	1	1	13433	5979	7649	17830	7917	1	1	1	1	1
1225.798@0.99705565	1	104872	23461	1	1	1	28182	1	1	22680	1	45846	40678	48270	1	24865	23879	1	17248	15522	82552	11343	1	95320	59242	1	1	70557	19957	27685	32700	17610	1	1	13675	14745	1
1241.7935@0.997456	1	37436	19097	1	1	1	11302	1	1	13245	1	38010	23343	12878	1	12210	10019	1	1	11165	23535	1	1	22334	14460	1	1	18592	8794	11345	21635	8523	1	1	1	1	1
1145.3173@1.003144	93843	284391	157968	271520	118798	1	397792	1	173635	82099	196549	203110	81383	66277	89701	103321	134594	131890	73785	25967	133563	103889	120045	132358	48686	194132	124349	52168	80084	65783	417271	250445	1	78503	85151	116856	90705
1071.2996@1.0033499	133379	294935	195763	378524	167451	1	597150	1	233046	111022	286496	423885	118121	92221	121391	108616	281115	192401	98001	13590	180931	151229	120288	134332	53156	222352	129560	101639	80635	124989	392018	345262	1	107827	107633	120272	89437
1076.2968@1.0054973	1	1	14734	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5543	1	1	1	1	1	1	1	1	6125	1	8715	1	1	1	1	1	1	1
939.7312@1.0059811	1	1	6504	21462	1	1	1	1	1	1	1	6378	22314	1	1	1	1	1	1	1	13526	1	1	1	1	1	1	1	1	1	7670	13294	1	32502	1	1	1
1219.3354@1.0043726	83001	124431	98094	244784	74328	161733	280602	226910	114669	14974	143259	187630	56784	11216	52357	72738	81330	82522	31545	16799	127679	48172	1	90475	20659	115260	82338	46574	9105	62974	252837	47230	1	13379	53265	14765	11814
1000.2801@1.0045232	65267	143105	64624	161777	1	94226	202769	1	71986	50939	89324	144577	38374	1	40156	1	97347	62729	1	1	90103	1	52620	61529	1	118728	64570	1	40532	49771	184354	146531	1	50955	1	50275	41213
997.2817@1.0047747	175615	397235	184604	468935	1	281287	550612	1	1	146538	247671	389317	106499	42463	116317	193871	255517	176955	149141	78445	234327	193723	142541	172299	100838	318842	176935	36642	117709	129955	499873	442804	1	137876	1	145739	111978
969.2272@1.007	1	1	5058	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
922.2844@1.0074333	6710	1	10938	11432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4125	1	1	1	6463	1	1	1	1	1	1	1	1	1	1	6530	7079	1
965.7477@1.006802	1	15212	16128	22109	1	14732	1	1	1	1	1	15707	26503	6536	1	1	1	1	1	7699	1	1	12778	30145	1	1	1	13196	1	1	7931	5599	1	27072	1	1	1
933.6326@1.0072644	1	132338	93313	1	1	28631	25804	1	91072	50783	32301	116626	55342	21024	1	30825	21792	6823	13417	50043	119607	13046	1	83908	50476	1	1	70211	17241	19670	56203	17304	7598	1	1	1	1
926.262@1.0072995	70297	140036	66212	168412	1	1	208200	1	1	1	1	145936	39418	1	44911	56883	89628	59917	1	26206	82982	52269	45623	65279	17183	124318	63260	48592	50866	1	177855	150888	1	1	36808	52318	1
923.2634@1.0074075	222423	453503	213546	532494	1	1	650254	1	1	1	1	473066	127296	1	140596	183604	287167	206265	1	82237	275237	170722	1	210712	105434	399644	206339	149811	161076	1	577048	500922	1	1	123966	169499	1
903.7495@1.0087591	1	1	12253	1	1	1	1	1	1	1	1	2529	1	1	1	1	1	4043	1	1	1	1	1	1	5013	3143	1	1	1	1	1	1	1	1	1	1	1
995.3012@1.0097662	8553	1	5802	4360	1	2740	13676	149882	1	7722	11490	5662	1	1	1	6599	6544	5920	10453	1	10017	1	1	1	2457	5588	1	1	5026	1	12433	1	1	1	43888	1	1
941.7463@1.0119835	1	9473	9461	1	1	1	1	1	1	1	1	10733	1	6447	1	1	1	1	1	7575	1	1	1	15721	1	1	1	1	6011	669586	1	1	1	1	1	1	1
771.2659@1.009055	41326	55101	47880	34552	48131	47828	63650	1	34108	41395	19015	49950	31586	34060	31415	31089	41307	42177	39644	32105	31315	36681	35905	32071	29397	8147	29233	35695	5654	35767	5167	45658	1	34978	39279	40051	41397
991.7573@1.0067686	1	9269	9932	1	1	1	1	1	1	2351	1	4217	1	1	1	1	1	1	1	5075	13252	1	1	18369	1	1	1	1	1	1	4549	9849	1	10914	1	1	1
845.2847@1.010419	28244	23880	48073	42192	33917	1	11276	1	1	26423	1	6769	33801	31557	24534	23521	30915	32272	9135	24844	37585	27043	28261	33130	1	31039	30403	23330	25464	26820	44265	21785	1	29603	32969	31578	31704
774.2507@1.0097471	1	1	14427	18238	1	1	1	1	1	1	1	1	9404	11637	9116	8191	1	1	12117	7049	13853	1	1	11039	10330	1	9874	1	1	10186	1	1	1	1	1	1	1
697.2469@1.01001	11914	62610	48037	55122	37021	49546	64436	8146	36582	43666	16670	50455	38675	37040	36162	42465	45486	42611	38984	27726	50604	38235	32567	40399	39521	10484	37978	6042	32041	15102	4067	4013	30446	38086	38093	42753	44432
895.2105@1.0110228	1	1	8207	1	1	1	5543	1	1	1	1	1	4179	1	6928	1	4959	1	1	1	1	1	1	1	1	1	1	1	1	3679	1	1	1	1	1	1	1
595.3936@1.0101901	20351	1	11662	17332	11559	15123	6346	1	1	7180	1	1	9466	5284	30470	1	1	14184	1	1	1	1	1	9160	1	91993	8544	1	1	7170	1	1	10805	20236	11791	19162	14905
852.2431@1.0107596	67793	129641	64379	142954	55118	68121	184496	1	59739	45419	1	146958	39051	39951	43168	54590	76385	56120	49261	29767	72720	45489	36935	60761	36013	120792	57601	49000	59381	54858	155830	128678	1	44327	34832	44327	34753
849.2449@1.0105537	256405	485245	238825	564745	219729	270720	693294	1	218203	183328	1	559108	150010	154958	157260	214860	305475	218097	181323	112430	288710	182991	151108	241643	138344	467373	230752	191707	223099	204605	596458	520851	1	168756	128657	173498	142786
820.2049@1.012342	53401	1	15603	1	17619	22004	1	1	1	1	11813	1	9405	1	1	1	1	1	1	1	1	1	13538	7323	1	1	7563	1	1	1	4488	9493	19741	14779	51115	1	6575
1069.3192@1.0280694	1	1	8761	1	1	2473	6563	1	1	1	1	5556	3381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5969	2229	1	1	1	1	1
927.5206@1.011941	1	1	12410	1	1	1	1	1	4666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6246	1	1	1	1	1	1	1	1	1	1	1	1	1
700.2311@1.0120283	1	1	13427	1	9837	1	1	1	1	1	1	1	8863	11726	8913	1	1	1	11538	1	1	1	1	1	1	1	1	1	1	9687	1	1	1	1	1	1	1
798.2408@1.0146337	19589	1	28651	1	35188	1	1	1	43532	8232	34605	17445	19907	18848	17919	14769	17654	1	1	1	1	1	16749	13546	1	18738	13573	1	1	1	7023	17390	1	25969	22552	28628	7860
949.6266@1.0123534	1	15400	6768	1	1	1	1	1	8989	3678	1	9647	1	1	1	1	1	1	1	4136	8360	1	1	1	1	1	1	5552	1	1	1	1	1	1	1	1	1
872.2593@1.0161245	30805	37302	12977	29705	43775	1	20121	59123	69482	27467	53496	14711	23503	27080	23026	17599	23954	28131	6530	1	1	21572	28995	1	5909	23464	21238	6249	1	14527	1	26164	84084	37152	36210	42868	31657
873.2609@1.0313057	1	1	27377	1	14813	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60503	1	1	1	1	1	1	1	1	1	1	1	1	1	1
729.5345@1.014	1	1	13056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1005.6533@1.0252556	1	6946	3761	1	1	1	1	1	1	1	1	5229	1	1	1	1	1	1	1	1	1	1	1	4772	1	5578	1	1	1	1	1	1	1	1	1	1	1
C30 H58 O4 S	413595	838424	828710	1019181	306034	1234365	812113	625457	464613	307524	1	412823	247654	198243	491315	234186	367917	853202	1	30681	616956	361928	145071	648140	21968	1861893	120702	33860	62601	165856	518419	492951	720901	150219	303837	784575	266545
730.4754@1.0143248	1	2051	5403	1	1	1	1	1	1	1	1	3361	1	1	1	1	1	2831	1	1	1	1	1	1	1	4827	1	1	1	1	1	1	1	1	1	1	1
C35 H74 Cl N9	11161	19138	26653	34930	21512	1	13840	1	51203	1	9066	15763	14683	1	1	8845	11647	1	15541	1	1	1	1	13234	25159	19031	1	10203	12376	88798	9751	1	1	1	6851	1	1
705.5292@1.0166469	1	1	12375	1	1	1	1	1	1	1	1	10451	2955	1	1	1	1	1	1	1	1	1	1	3632	1	1	1	1	1	1	1	1	1	1	1	1	1
949.2774@1.0263888	1	6103	5332	4039	10332	1	1	1	12507	1	1	1	1	1	1	1	5057	5932	1	1	3965	1	1	1	1	1	1	1	1	1	1	5116	36305	1	8290	1	6208
743.1926@1.0151968	27795	27885	45867	35955	71232	71756	24085	73716	60327	19206	58444	13622	30180	28933	19993	17145	1	27753	1	1	18605	21371	74589	19357	1	28780	18579	1	1	11865	1	8610	79858	43583	40208	40874	1
C33 H19 N18 O5	14806	1	14963	16404	17504	21214	5110	16651	15784	8240	1	5912	1	1	8906	1	1	14097	1	1	10935	9716	1	3789	1	7848	1	1	1	6674	5807	1	20120	1	1	1	1
775.2251@1.0157659	5346675	5928830	251894	557004	208328	251130	5587151	145211	224274	185853	209006	4212035	162831	156370	165066	3399378	4516098	222362	232610	1237436	4212096	189308	139401	4367358	1635961	5814533	3657141	1580834	1911375	3500436	1	5450485	1	181263	143972	185786	148748
778.2243@1.0159129	62523	1299834	57068	113771	45683	54746	1241166	1	52639	39249	52979	927062	33680	31688	35866	747152	987828	45913	48149	251934	933353	38840	29631	942871	350329	1301024	810797	341208	414593	784707	1	1204329	1	41284	31714	40895	32247
623.228@1.0141075	25478	1	21167	1	1	1	1	1	1	3985	5797	1	1	19461	1	17626	21957	1	22986	1	21810	16128	1	1	20436	1	27817	2976	2132	1	1	1	1	1	1	1	1
753.5908@1.0486847	2546	1	8709	14009	3521	1	7279	12898	1	1	1	1	3586	1	8022	1	5832	8875	1	4619	1	1	1	1	9866	7847	1	1	1	126456	1	1	1	1	2595	4880	7290
709.5678@1.0155567	1	1	26539	1	1	1	1	1	10468	1	1	5801	1	1	1	1	1	1	1	4181	3507	1	1	7327	1	1	1	1	1	1	1	1	1	1	1	1	1
640.503@1.014782	1	8741	6472	1	1	1	1	1	1	1	1	1	1	2403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
946.278@1.0215094	15742	20165	19319	18406	1	1	4765	31438	46406	6591	1	1	19210	25746	1	13171	19130	20285	1	3079	15844	17232	85520	1	1	21798	16421	1	1	11973	5459	20890	1	11346	25803	42845	24846
757.2146@1.0166359	1	1	1.05E+07	7180657	1.59E+07	1.76E+07	1	1.88E+07	1.49E+07	4633011	1.28E+07	1	4333528	4662532	4098431	1	1	5444572	1565389	1	1	3932588	1.45E+07	1	1	1	1	1	1	1	5475579	1	2.05E+07	6362350	5579232	6815318	4321867
760.2141@1.0247982	1127752	1	2240709	1548421	1	1	1	1	1	1014464	1	1	953343	1017972	908639	1	1	1181555	337075	1	1	875887	1	1	1	1	1	1	1	1	1210204	1	1625947	1334382	1215840	1507066	977676
659.55@1.0182431	1	1	227016	4015	1	55279	1	1	1	1	1	1	30759	1	1	1	1	1	1	1	1	1	1	93126	1	1	1	1	1	1	1	1	1	1	1	1	1
679.5161@1.0171659	1	11414	16651	1	1	1	1	1	1	1	1	83927	1	1	1	1	1	1	1	1	1	1	1	10056	1	1	1	1	1	1	1	1	1	9664	1	1	1
C40 H26 Cl N9 O	1.15E+07	1.30E+07	1.90E+07	1.79E+07	2.69E+07	3.11E+07	1.06E+07	3.56E+07	2.54E+07	1.14E+07	2.23E+07	5966020	1.05E+07	1.12E+07	8831077	6440888	1.03E+07	1.28E+07	3131251	2595800	8664358	8430932	2.54E+07	7554903	3316378	1.33E+07	7553869	3082734	3984826	6383459	1.28E+07	1.12E+07	3.60E+07	1.49E+07	1.31E+07	1.72E+07	1.05E+07
626.2089@1.0181109	1	1	9353	1	1	1	1	1	1	1	8059	1	1	9348	1	8079	10657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10828	1	1	1	10452	1
C24 H23 N20 O4 S	737322	835004	1207451	1138629	1683423	1	681282	1	1582197	731213	1403341	1	663541	711839	1	1	662680	819616	1	1	1	1	1567115	1	1	870506	1	1	1	1	817282	709984	1	929126	823501	1059818	659365
C42 H28 Cl N5 S	43517	38656	58293	60884	85266	92767	46466	100837	72604	28277	63026	20863	42244	31038	27911	6737	29793	40538	1	1	30968	29028	68977	26361	1	45628	32317	1	6348	17769	42667	38150	118934	48455	53622	71222	31599
664.5028@1.0190761	1	1	6064	1	1	1	1	1	1	1	1	2469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
638.4907@1.019	1	1	165001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
800.5438@1.0163387	8996	19833	10462	1	1	7996	5496	1	10243	9635	5528	12411	11788	1	1	6693	1	5346	1	5903	1	4643	3682	14347	9429	10525	1	40320	5003	6801	8782	9303	5519	1	3897	1	1
C27 H32 N7 O S4	10768	7890	9438	13390	11665	14314	7703	16838	10551	7561	10122	1	6385	6084	7021	4623	6859	9892	1	1	7839	6873	11777	4737	1	15913	7090	2862	1	3413	8752	6830	13563	10096	8021	1	7242
763.3376@1.02	1	1	2797	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C42 H67 N O7	1	242970	361488	204257	291922	153343	250272	76108	158119	166117	125990	261837	264608	222110	108570	212108	154447	110205	1	183951	237614	117590	98717	1	201705	132370	118277	215589	170587	1	219528	132270	64046	175820	159162	188721	156442
658.5376@1.0208721	1	1	37355	1	1	8178	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12455	1	1	1	1	1	1	1	1	1	1	1	1	1
C39 H30 Cl N2 O S	2.23E+07	2.85E+07	3.05E+07	3.42E+07	4.36E+07	4.86E+07	1.81E+07	5.39E+07	4.26E+07	2.60E+07	3.94E+07	1.05E+07	2.20E+07	2.31E+07	2.19E+07	1.62E+07	2.38E+07	2.58E+07	8341068	6167348	2.12E+07	1.93E+07	4.24E+07	1.26E+07	8274892	2.44E+07	2.04E+07	9975045	1.13E+07	1.01E+07	2.08E+07	1.88E+07	5.35E+07	2.40E+07	2.30E+07	3.31E+07	2.22E+07
713.5238@1.021	1	1	10649	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
704.4971@1.020206	1	1	3562	1	1	5013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1739	1	1	1	1	1	1	1	1	1	1	1	1	1
614.1744@1.0213822	1	393493	412940	482448	614737	707973	1	761246	595795	347076	548383	1	1	1	1	1	1	1	1	1	1	1	578248	1	1	1	1	1	1	1	1	1	752091	1	1	483497	1
834.2324@1.018575	559031	654430	1530726	800449	2023550	2233543	627491	2176512	1814429	525059	1557379	504503	523412	547684	492091	380273	506086	663197	205112	136303	478932	453111	1807848	531823	174096	604923	422983	168765	184457	404886	654599	582351	2026118	745847	595052	741430	495687
C42 H64 O7	216533	20427	35136	1	1	18267	32139	1	1	15669	1	20485	22635	20256	1	20242	15114	1	214804	16914	20599	10774	9584	467918	18444	1	1	19914	15599	786651	20719	1	1	19063	21645	24097	1
C53 H70 S	8533	20198	9469	5646	7445	11512	6741	1	4533	6192	1	1	8793	8948	4760	8211	5634	4998	11779	6051	9655	5132	1	18454	10912	1	1	7707	3535	14383	15546	4157	1	1	1	18491	1
C45 H29 Cl N O S	1	7677	4239	9071	2801	6261	8503	6608	1	1	1	6964	1	1	1	1	1	2181	1	1	1	2462	1	3235	1	7881	1	1	6813	3844	7786	3391	1	1	1	1	1
336.2662@1.0509734	1	4832	5849	1	19774	1	1	1	1	5078	1	5371	1	1	1	1	1	1	11710	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18981
782.4902@1.0185472	1	1	3153	1	1	1	2719	1	1	1	1	1	1	1	1	1	1	3701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C36 H26 Cl N5 S	64527	47405	62524	90440	93947	114451	46675	125654	91379	52356	91587	23162	53731	50576	50689	33789	49689	59464	5836	10550	52538	47947	93019	31541	10109	65199	50518	13792	7680	20871	53061	49844	117300	63327	52889	36013	52090
831.2338@1.0187911	2103465	2326070	5611986	2867161	7744843	8519139	2248916	8244942	7023384	1842093	5792328	1860631	1913698	2030421	1762629	1497775	1829232	2377221	790761	549936	1645702	1769762	7039780	1923527	679275	2279617	1534712	686113	679492	1529732	2396580	2200146	1.01E+07	2688911	2360013	2894565	1847856
C44 H58 N2 O3	75393	99425	228817	226025	209310	151364	166780	150959	138392	79761	113588	117471	81822	78482	112161	141706	88148	252673	111938	106669	119158	70376	66779	157580	103993	251376	111990	112961	95619	118223	89026	115974	104040	120305	101851	131450	155100
620.5364@1.021146	1	1	10430	1	1	1	1	1	1	1	1	1	1	1	1	1825	1	1	1341	1	1	1	1	1	3712	1	1	1	1	9522	1	1	1	1	1	1	1
605.5456@1.0753587	1	1	6704	1	1	1	1	1	1	1	1	1	1670	1	1	1595	1	1	1	1	1	1	1	1	2709	1	1	1	1	1	1	1	1	1	1	1	1
576.1184@1.0279565	14435	16362	15895	22946	24079	30169	11384	29994	23890	6298	24298	3272	12561	14107	8154	11517	12342	14212	1979	1	10735	9586	21899	5964	3902	9283	11129	5117	5876	6084	11618	12127	25911	12847	4558	18393	10957
C36 H75 N4 S2	1	24977	49497	1	1	1	1	1	72700	13816	42370	18854	23992	1	1	1	1	1	1	26204	1	1	1	19106	30610	1	1	1	1	46817	1	1	1	1	1	1	1
669.3023@1.0234073	1	1	4069	1	1	1	1	1	1	1	1	1	1	1	4173	1	1	1	4111	1	1	1	1	2580	1	1	1	1	1	1	1	1	1	5865	1	1	7249
C40 H28 Cl N9 O2	289654	434390	241677	531109	199322	207335	621246	293113	199721	185954	227862	520930	161838	156127	169294	226977	265985	220075	299822	193985	246246	190867	133335	269267	254726	498773	240281	1	516388	277843	1	501492	155101	185456	148872	210601	149932
620.3031@1.0234451	13477	12693	41632	1	1	1	1	1	7905	6075	9379	22060	22837	1	1	1	5207	1	1	1	36297	1	1	26459	11367	1	1	8320	1	1	1	1	1	1	1	1	1
C34 H32 N12 S3	51178	75298	42874	93849	36647	38064	116991	51660	35797	34444	1	100365	27917	27626	27979	41358	46649	38946	52579	34155	48124	32776	23836	46405	43782	89391	40259	1	88493	48207	1	91804	28102	33735	27603	36929	26700
672.1738@1.0203611	13808	12386	13397	17412	18278	19662	1	19995	1	9354	1	1	1	7885	8464	1	7446	12841	1	1	9974	8948	11836	6976	1	20815	1	1	1	4938	12033	9701	1	12733	1	1	8771
1367.3726@1.0247955	1	47633	25315	90810	23133	49456	55950	63798	20727	17788	45427	64970	1	14206	14167	1	40062	1	14399	4607	38642	15452	20343	22754	9224	38301	36412	11091	1	1	14791	100005	1	24429	18453	1	17645
C11 H13 N8 S2	16646	19001	10145	15634	12851	18979	1	17664	15773	13638	8701	1	8874	10358	15465	10280	14070	11472	7124	1	13100	12294	11478	5204	1	11305	13635	10213	14457	2934	7984	7880	12649	1	7910	13075	14774
C19 H16 N O2 S2	34782	50498	31160	48492	43536	47030	36170	49281	39509	19626	34318	28471	25706	25657	29432	24158	32371	30822	31349	21526	28259	25290	36277	23760	29991	48912	27990	44708	59577	17847	36666	37662	41656	28966	24481	42267	16348
C40 H25 N O2	18156	18086	7564	17687	8188	10291	18120	11208	8137	14512	10806	11404	10150	11334	1	11799	14098	11151	13899	12443	12966	10561	5968	11384	13612	23117	12659	11995	10009	9880	16224	7734	8331	14437	13124	15646	14398
965.254@1.036315	1	1	23707	1	25886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7069	1	27789	3334	1	1	1
665.5226@1.0359651	80829	1	46716	15381	88283	1	11291	1	1	1	28670	6346	1	22812	1	11268	1	29862	34039	8044	1	9337	1	1	17486	18333	1	1	1	14958	1	1	1	1	1	13358	12538
Glycidyl oleate	1	1	9346	1	47467	12018	1	1	12071	1	13172	6812	11265	1	10641	10123	1	7282	1	16365	9404	7267	1	13479	1	1	1	1	13122	1	3657	1	1	9923	1	12890	12371
C41 H67 N O2 S2	45299	51181	77940	41502	75384	37787	64228	26023	38587	38015	1	59794	57116	39827	1	44330	37590	27785	37158	1	55350	26691	18819	1	51294	37277	33426	50637	41936	102575	48739	29116	1	36597	33951	43221	36936
943.7646@1.028481	1	16391	13360	1	1	1	1	1	6703	1	1	19457	14786	1	1	1	1	1	1	1	33693	1	1	24312	1	1	1	1	1	1	4272	3811	1	1	1	1	1
616.5048@1.0256883	43752	1	490969	1	1	1	1	1	81850	2926	1	298536	1	62939	1	1	1	21070	17125	1	1	53613	1	1	1	28199	1	1	1	23928	97207	1	1	1	1	2196	1
600.5135@1.0293033	1	1	21544	1	10128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H19 N16 O3 S	882309	1051250	665433	940643	829375	1106371	486158	923737	957324	969055	833523	1	890637	823006	997248	816949	927681	797018	395258	1	952147	819193	815422	1	367278	615561	993180	465266	466129	1	512162	442314	895563	635708	593291	898392	1033731
C26 H10 N2 S2	18754	21437	11385	17310	16541	23226	5304	18087	19585	16675	15264	1	15506	15665	17080	13102	16100	13661	5857	1	15818	12384	14046	4475	5900	9501	14910	5689	6010	1	8035	6075	13985	10533	10116	16192	17495
C36 H24 Cl N2 O	2.71E+07	3.04E+07	1.97E+07	2.75E+07	2.45E+07	3.27E+07	1.46E+07	2.74E+07	2.89E+07	2.89E+07	2.50E+07	7996534	2.63E+07	2.47E+07	2.93E+07	2.50E+07	2.78E+07	2.34E+07	1.19E+07	5678246	2.83E+07	2.44E+07	2.43E+07	8882715	1.09E+07	1.80E+07	2.89E+07	1.39E+07	1.38E+07	6268610	1.54E+07	1.34E+07	2.70E+07	1.93E+07	1.80E+07	2.72E+07	3.04E+07
592.5003@1.026	1	1	3198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C42 H23 Cl N O	9766	12736	10041	15369	11997	12058	13183	15629	12736	1	11971	1	2980	1	7565	3422	9387	8139	8159	1	7792	2868	9069	5659	7006	15389	8400	10369	17593	5915	11140	10891	11481	8543	7004	10625	7561
C24 H30 N4 O S4	145467	166457	101177	151678	124948	164055	88464	151222	151535	147147	128707	52523	128825	124943	146908	126070	139693	112090	68806	37768	138336	119920	119992	51292	63565	105782	140179	83507	94749	37696	90682	85492	128058	97996	91458	137121	155208
C33 H15 Cl N4	127625	139477	86768	122808	114540	143132	69314	122937	133233	126923	108384	41321	115831	114221	134825	105927	118153	97786	48316	25975	115692	100991	101826	41480	46039	76404	113475	57578	62250	28594	63644	56187	113153	75289	74850	117841	136852
C33 H65 N7 O3	1	23134	63759	1	35462	14756	10806	1	1	1	19146	1	1	11323	1	9522	1	6928	8667	1	10704	10654	1	13827	4809	1	1	11979	10304	1	31644	9310	11006	14296	1	1	1
913.2432@1.029104	1	1	9142	1	13616	15003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10033	2336	1	1	1	1	1	1	1	1	1	1	1	1	1
663.5767@1.0254021	1	1	15728	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2959	1	1	1	1	1	1
1370.3723@1.0236418	1	1	14229	1	14781	1	38046	1	1	10651	1	1	1	7234	1	1	1	1	1	1	1	8748	1	15137	1	1	1	5712	1	1	1	1	1	1	1	1	1
C28 H29 N2 O2 S3	52935	39356	33564	52082	40103	59522	26645	47943	40432	35330	39983	19248	45067	35972	53862	35765	34954	41606	19022	11123	54234	41221	40057	19701	17274	39558	50239	22137	26941	14125	30921	26145	47649	36094	32737	48433	52942
C31 H23 N S3	13137	13438	7889	11718	10967	14596	6470	11633	11970	12092	9434	2572	11560	1	1	8627	9972	9361	1	1	10997	8927	8525	1	4129	9533	11278	5372	4728	1	5982	5643	9755	8126	6781	11801	13248
C9 H10 N7 S2	36989	52197	22608	44064	32532	41329	25700	40770	36330	41147	28078	20060	32495	29223	32474	26541	31247	26930	20614	1	32897	26236	28304	13907	21030	34559	35240	29449	41584	1	25837	21984	34193	24837	36178	37634	37107
C30 H65 N8 S	19401	31507	70186	25065	45241	10726	37973	14900	36741	19454	1	27879	1	17055	28869	19591	20320	23720	39351	52710	20452	16489	1	1	29165	33529	18988	33097	34105	34494	1	24720	1	23486	7347	25932	25298
621.5301@1.0744964	1	3765	14752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8213	1	1	1	1	1	1	1	1	1	1	1
573.5336@1.0280801	1	24186	53823	21579	3459	1	6092	1	14982	22122	17043	20205	6927	11060	8129	6157	12583	18957	5408	1	3838	1	1	1	10713	15773	13038	28441	1	13256	1	1	1	1	1	1	2603
638.5667@1.0279167	8913	1	60479	1	1	1	1	1	26865	11380	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6178	1	1	1	1	1
601.562@1.0304166	1	7809	11286	10445	8575	1	5301	1	8059	12433	1	3162	4322	1	1	1	4402	12140	1	23924	5144	1	1	3855	9072	6559	5565	7325	3185	3900	1	1	1	1	1	1	1
689.5196@1.050569	1	1	14862	1	1	1	1	1	1	1	1	6975	1	3062	1	1	3193	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
574.4929@1.0315422	1	1	10497	1	8587	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3169	1	1	1	1	1	1	1	1	1	1	1	1
917.7467@1.0317007	1	1	22799	11148	1	8321	1	1	8113	1	1	15718	10164	1	1	1	1	1	1	5340	40128	1	1	1	1	1	1	17216	1	305861	4862	7275	2672	8848	1	1	1
C38 H76 Cl N3 O2	1	1	53384	1	1	17544	1	1	19871	21496	1	22532	1	1	1	1	15876	1	18091	1	18666	1	1	1	1	1	1	31318	15761	1	4890	1	1	1	1	1	1
C35 H76 Cl N6	1	1	18253	9206	99491	1	1	1	1	8968	1	7508	1	1	22298	7288	12709	9130	37337	25358	3876	1	1	1	29243	1	17626	8698	1	1	1	7256	1	29528	1	1	1
559.5169@1.0299003	1	1	40557	8392	1	1	6508	1	8695	7756	1	1	1	1	1	1	5107	1	2995	14163	1	1	1	7401	5290	1	4410	9600	1	4319	1	2418	1	1	1	1	1
C34 H73 N3 O2 S	1	7338	27526	13090	1	1	24697	5951	11041	10282	9208	1	3898	1	7356	1	13482	1	12498	21526	9380	4235	1	1	11454	11078	8551	18723	1	1	1	7190	1	1	1	1	4822
C47 H28 Cl	297048	1	207787	504431	180884	180466	558802	281767	1	194294	179918	413202	160622	159634	177631	233149	257829	219986	376038	249706	243168	196077	151377	1	335875	491148	233491	271622	787008	259143	461726	452766	157682	193354	181623	249410	166983
695.5842@1.0361644	1	1	12789	1	1	1	1	1	4989	1	3426	1	1	1	1	3830	2024	16229	21551	3590	1	1	1	1	1	27436	13249	10667	1	138694	1	1	1	1	1	1	1
2-(3''-Methylthio)propylmalic acid	20662	14741	8877	12821	1	19649	4244	15542	1	10165	1	1	19842	1	23697	12363	9092	10586	1	1	26816	1	16265	1	7694	8989	31800	10500	12111	4069	9398	1	18690	9824	7568	20494	28643
C31 H26 N12 S2	43493	1	27466	69385	27814	26224	1	41623	1	27261	26464	62689	24707	21607	25147	32871	36539	31690	55011	34767	1	28255	1	1	47286	69710	34616	1	108252	35863	67037	64567	23157	27151	1	36700	22462
1022.2957@1.0278473	1	1	4517	1	1	1	3035	1	1	1	1	1	1	1	1	1	1	1	1	1	4959	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
641.4315@1.0319705	6650	1	5679	1	1	1	3516	1	1	1	1	4998	1	1	1	1	1	2334	1	3800	1	1	1	6539	1	1	1	1	5948	9343	1	1	1	1	1	1	1
C34 H69 N11	1	10340	15090	17150	1	1	9016	1	12328	8865	1	1	1	6309	1	4522	10743	6398	8348	16393	9052	4231	6665	5415	6305	1	9592	13282	3296	1	1	5533	1	10187	1	1	1
618.5588@1.033	1	1	4804	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
499.4593@1.03821	1	5244	8621	1	1	1	5721	1	1	2905	1	1	1	1	1	2948	1	1	1	1	1	1	1	1	5838	1	1	6671	3285	5755	1	2571	1	1	1	1	1
919.3039@1.0294669	1	1	10245	14106	1	1	6930	1	1	4178	1	1	19227	6956	1	4362	6800	6442	5424	15738	1	1	1	16665	7304	4379	6736	8549	16413	6441	6786	3954	1	1	19047	1	6521
553.5055@1.1121963	1	1	15634	1	1	1	4978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3463	1	1	1	1	10041	1	1	1	1	18624	16216
541.4708@1.0431098	10400	1	25893	1	1	1	1	1	1	1	9614	1	1	1	1	1	1	1	11413	25760	1	1	1	1	1	1	1	13888	1	12635	1	1	1	9610	1	13608	1
C35 H73 N4 S2	1	1	91287	18114	15129	1	28027	1	1	22242	1	31033	1	1	19528	18653	1	23661	38567	64328	31780	1	5768	1	32201	22861	31164	78281	1	50441	1	28696	1	39267	1	16004	22926
908.2505@1.0254298	330648	366753	1107499	433364	1585941	1719227	382058	1	1326310	339761	1089476	344772	311570	349171	297606	256966	297727	413335	142236	114299	285179	312262	1422964	336897	132838	414756	276911	134674	126847	262486	418537	370906	2198987	442555	392164	476755	311720
543.4862@1.0387108	8360	11207	31138	1	19871	18213	21528	1	12614	1	10491	1	13058	8250	6303	13191	1	13895	1	1	10241	1	1	9038	18174	10646	1	24482	1	15129	1	1	1	16113	1	1	1
446.3394@1.0392191	1	1	73879	121802	70555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	131711	1	1	1	1	85963	1	1	1	56105	1	49338	1
750.2771@1.0381464	1	1	7574	1	1	1	8058	1	1	1	1	1	1	1	1	2676	1	2385	1	1	1	1	1	1	1	5404	1	1	1	1	7307	1	1	1	1	1	1
645.5876@1.0371797	1	1	7527	18587	1	1	1	1	1	5467	4698	1	1	1	1	3392	6890	2306	4229	14127	1	1	3732	1	1	3123	5790	5748	1	1	1	1	1	1	1	1	1
715.6224@1.0448303	1	1	4463	10818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H44 N13 O S	123863	213548	83871	89866	71985	42994	101688	49141	59049	73345	51530	109546	107276	85305	90294	96459	66088	59689	95074	69033	71272	63687	1	118083	108115	71014	81422	75935	96740	137702	82818	42544	1	17546	9594	10342	12387
905.2523@1.0265961	1019875	1128551	3344321	1363950	4888545	5305381	1204746	1	4114764	972622	3492786	1044971	974545	999800	863972	830315	928291	1220973	486052	380647	890832	910955	4194073	1014322	413092	1220493	830869	448259	394078	846107	1257435	1151223	6898703	1397208	1210398	1477710	955878
C36 H48 N2 O S2	6091	9269	13709	1	1	11897	5569	1	14096	15458	8017	11255	7987	14221	1	11249	15334	12791	7112	9284	12958	13561	6850	9354	5870	10973	5376	13565	8114	6864	19971	10412	1	1	11988	11518	1
C28 H20 N12 S	26144	35124	14436	41019	11426	11816	29868	1	16524	20423	11688	24435	13569	13992	18712	20577	21702	18021	30446	19582	16944	15598	1	13879	26585	38021	19994	43708	66121	15089	28742	1	12318	17736	13669	23709	16604
C36 H26 Cl N2 O2	235940	334208	131696	358719	122236	115324	279734	209522	155966	184022	123943	213708	134166	139202	165895	191084	226335	164289	280165	187624	160591	170780	120549	146868	251829	347454	201006	435616	635187	149758	272424	299914	120936	155138	133173	234066	158248
C20 H20 N O2 S2	171215	257685	99065	291054	101457	103493	212365	163553	123092	139075	97896	169113	105106	103732	117543	139583	158986	130661	182597	144345	122450	127835	91180	119546	196289	275847	171645	327759	476514	117851	219742	209628	98613	126441	106201	187432	126253
2-(3''-Methylthio)propylmalic acid + 1.0449985	165669	220309	93064	263600	97938	77836	179958	150000	82098	125468	94006	132636	104152	80754	123236	112098	137661	112265	186089	117803	127969	118884	96835	95312	169331	247492	200004	272571	412628	81586	185419	181499	109082	115727	95598	176327	137328
1299.3864@1.0417498	1	4182	4448	1	1	1	1	1	1	4939	6385	1	3451	3975	1	3604	3233	1	2392	4383	1	1	1	1	1	1	1	1	2017	1	1	1	1	1	4355	1	1
607.4453@1.0455418	1	59897	55713	29656	71191	58639	56524	29410	38031	40329	34768	64594	44412	1	29724	42194	23189	60561	32475	33377	27380	15692	1	41874	44716	37458	38634	61242	47296	38981	35913	43802	1	47919	28280	31421	31054
1283.4034@1.0397662	1	20019	408552	7338	1	15082	9547	1	20612	17468	27619	14469	11341	17169	9104	14139	15842	16715	8897	22554	16503	13694	18204	1	7969	10492	9318	133401	1	1	122242	18365	8811	10279	15227	14090	12559
583.4085@1.0524548	15357	38033	23620	1	1	1	1	29295	24174	12258	1	35702	18562	20123	14211	26185	18507	1	1	18542	31988	9491	1	21292	31667	1	7693	28605	1	22614	1	23333	1	33657	22083	40766	20561
Diisooctyl phthalate	411057	475981	459255	368642	399529	315626	580280	269060	278261	304551	199647	358446	507631	401146	537426	326994	250040	290211	328510	290858	319153	335478	257984	464670	408650	362216	371903	353680	369244	449172	282338	269172	225375	555102	396494	327065	478008
C34 H51 N12	1	14076	21267	1	1	25148	1	1	1	15328	1	21063	11962	8327	1	9982	1	10653	1	11943	18183	1	1	1	1	1	1	19072	1	1	1	1	1	21133	14411	1	1
C33 H38 O6	394134	508058	879254	468750	633287	461274	389587	144310	475265	513449	303364	615563	479342	471917	362719	427348	437527	423747	322601	291042	543635	483774	274566	630331	305820	564132	290188	472662	412905	530489	787010	435181	157594	336745	488504	485695	230058
C27 H36 N14 O5	1.49E+07	2.20E+07	1.19E+07	9868437	1.13E+07	6569255	1.26E+07	5710341	9393310	8003788	7514860	1.32E+07	1.34E+07	8861574	1.04E+07	9685016	7336244	7219819	9153473	5872674	1.02E+07	7477281	1	1.61E+07	1.23E+07	8592028	9511625	7681202	1.01E+07	1.54E+07	9871098	6033111	912032	1916654	1405711	1621731	1461919
Ascidiacyclamide	75234	90173	29149	35299	21006	1	44458	13265	16808	36370	14582	47924	51778	35899	40120	38848	30313	18132	47419	36499	30717	21380	1	50263	55080	23882	31571	32572	36915	33998	29514	1	1	4965	1	1	3637
C36 H57 N2 O8 S2	19160	32144	15885	14280	19267	9986	17351	7901	11983	1	1	1	20677	12471	13543	1	1	1	11576	1	14032	1	1	17738	15542	9783	12858	1	13013	17735	1	7680	1	1	1	1	1
C29 H22 N2 S2	113404	147030	49250	168128	51756	60841	88225	78495	77026	78434	53064	64578	75594	49153	88263	76775	86779	72636	131646	81733	89944	87446	68264	56342	117150	165451	177995	202993	318878	50416	101949	114113	65813	78142	61293	127304	104561
C8 H4 O3	67821	101721	74381	87591	64420	70171	93247	55858	63613	68810	45062	67496	82369	76940	98216	60500	53179	57608	84574	58297	56123	64692	1	77926	82347	87846	1	64193	76331	66945	57943	74675	61933	105709	84742	59686	91100
675.597@1.0637581	1	1	4281	1	1	1	1	1	5297	1	1	1	1	1	1	8668	1	1	4429	5922	1	1	1	1	1	1	1	3710	1	1	1	1	1	11852	1	1	1
587.5246@1.0507106	1	1	11938	1	1	1	1	1	1	5078	1	21247	12482	1	1	1	1	1	1	1	7769	1	2876	1	1	1	1	1	1	1	1	1	4763	1	1	1	8402
1608.7739@1.0470507	84899	388457	71887	1	124655	1	1	1	1	1	1	54255	1	1	1	1	1	1	1	1	1	1	1	102455	1	1	1	1	44520	1	1	1	1	1	1	1	1
567.414@1.0508355	1	1	37368	25447	67059	1	72807	35552	25420	21363	1	1	21671	26572	1	21039	23557	1	28744	1	23956	23668	1	25872	28376	29073	39739	28013	22106	21881	15657	1	1	22341	26498	1	1
1608.2717@1.047669	98570	420914	92945	52708	163972	1	83574	1	1	1	1	71758	81723	1	1	18623	1	1	1	1	1	1	1	128109	55259	1	35692	1	53863	298662	1	1	1	1	1	1	1
C28 H37 N22	1	1	4394	1	1	1	9628	1	1	6933	1	12505	12908	1	11154	11846	8676	7865	16305	8111	11801	9877	7101	28738	26544	16122	19732	1	25595	33868	19389	12036	1	7434	1	1	5840
1444.3903@1.0484848	1	1	14365	35303	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12806	1	1	1	1	1	9713	3735	1	1	1	30576	16593	7863	1	1	1
Primflasine	13268	35195	19273	44999	30033	46573	9797	84916	29286	7522	36766	49774	11642	13631	7331	11205	1	1	7411	1	18080	6000	19605	23834	1	30729	15296	5128	1	9915	65509	43077	25848	11775	1	16998	1
C10 H14 N7 S2	44041	70249	26329	1	23433	27135	38198	38378	33388	34582	25468	31941	27823	23192	35252	1	37874	1	57693	36813	31178	31063	31715	26333	51010	1	59410	1	1	1	1	1	28081	36209	28932	52104	38105
985.2662@1.0363581	1	1	69350	1	1	1	1	1	1	1	1	1	1	1	1	1	21361	1	1	1	20436	1	1	1	1	1	1	1	1	1	1	1	1	1	26615	1	1
328.1517@1.0514228	4682	10504	12443	10973	1	1	12746	1	1	17502	1	1	1	1	5964	1	1	1	8915	1	1	1	1	14783	1	7227	1	12040	11723	1	9079	8081	1	1	1	6179	10349
783.6052@1.0540373	1	1	8062	1	1	11195	1	1	1	1	1	1	1	1	1	1	1	8980	1	1	1	1	1	1	12298	1	1	9960	1	1	1	4976	1	1	1	1	3323
C20 H34 O8	56858	126659	121317	101101	45746	59440	123338	53167	1	149428	42569	129232	69156	52956	52046	40698	33179	34033	92682	1	87577	58221	1	118126	60939	68526	84589	89111	116012	51614	80758	88329	1	104976	78850	1	95583
C27 H53 Cl2 N O3	1	21613	30863	1	1	16260	1	1	1	16627	10195	1	1	1	1	1	1	1	8695	14080	1	1	1	12839	1	1	4364	10531	1	1	1	1	16222	1	1	1	1
982.2694@1.0379604	240676	282164	795784	355914	1525898	1453933	300117	1291977	1205514	252425	947727	260904	251771	258952	218355	217588	229777	327729	134541	111497	221144	232224	1274462	1	113343	314973	223657	121872	110936	204931	314857	272713	2788225	354995	280685	378259	242734
551.3505@1.0521402	1	1	36116	1	1	1	1	1	1	1	1	8982	1	1	11673	1	1	1	1	11151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H22 O	7045	14632	13618	20254	17296	1	14625	1	9540	13732	1	15047	14522	13056	21288	11013	9087	1	17539	1	12155	8197	19876	20361	10295	8448	10094	13063	12788	10292	17403	12264	1	13530	16888	1	9860
979.2708@1.0384614	568059	673253	2230850	830034	3921205	3784883	360103	3114102	3145935	610994	2427609	675412	626653	630211	530164	546205	609582	803515	343349	295106	584808	576251	3499698	600863	289322	775475	536310	321914	276580	527638	783847	693643	7409911	876959	787866	918393	600696
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde	159685	256341	306140	76055	246976	162177	283881	135710	160355	148464	123123	202352	242788	151309	149806	176404	157333	149690	130246	189842	243309	150738	104844	159089	118281	86781	93222	226895	192942	71334	187649	217733	95162	194982	273020	295810	166609
969.7724@1.0564688	1	5999	4779	1	7761	1	1	1	1	1	1	2228	1	1	1	1	1	1	1	1	12804	1	1	10454	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H62 Cl N3 O4	24565	64504	36519	1	51466	52475	48748	23596	23509	24922	1	38453	19628	22936	22375	26731	1	39922	1	27933	1	23082	14083	28926	50478	22809	18281	58362	28814	1	31624	31817	28201	44397	29735	33280	29871
C25 H52 Cl N6	51748	23519	36317	17245	36593	20759	37315	23726	1	17552	1	31161	21861	20273	27516	27923	1	25212	26219	20304	22524	21403	13277	1	22817	31096	25664	22669	28887	24091	1	21372	12929	24093	27555	27220	31369
755.2331@1.043503	8159	1	2505	1	1	1	6206	6375	1	2144	1	1	1	1	5023	1	1	1	1	1	1	1	1	8544	1	1	4077	1	1	1	1	1	1	1	1	1	1
C35 H72 Cl N2 O3 S2	1	1	23590	7067	30957	22545	23640	22581	17022	12657	24859	25111	17895	13788	12430	14225	8900	20981	1	14775	17367	6928	17153	15181	29563	13730	16000	31488	1	13402	13501	15796	14559	22240	18680	16859	16877
C38 H61 N5 O4	1	20105	22358	9777	34638	26469	29212	10355	13506	13705	1	27102	21177	12526	14627	15741	1	19984	1	14281	14842	1	8885	16721	27453	17257	15919	28957	22920	14929	17678	13757	13053	22680	20702	1	16924
401.3091@1.0837333	1	36119	15553	25398	1	15085	1	11331	1	14996	1	1	1	19547	1	1	1	1	1	1	1	1	1	1	1	1	1	8476	11256	5894	56847	1	1	1	17691	1	7704
493.3073@1.083609	9044	1	19876	1	1	13037	1	1	1	1	1	1	1	1	1	1	1	6049	3476	7755	1	1	1	1	5605	1	1	1	1	1	7836	1	1	1	1	1	1
552.2583@1.1053231	1	1	3890	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29533	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H17 Cl	6363	17266	6032	19341	1	7015	6690	1	1	6595	1	8743	1	4285	1	6261	1	9627	17377	1	1	1	10429	4322	15635	26227	11089	24738	41920	1	11276	15713	6928	11057	6287	14493	1
803.6984@1.0616637	1	1	3547	1	1	1	1	1	10260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
993.3214@1.0510653	1	1	10949	1	4724	1	1	1	1	1	7561	1	15524	1	1	6123	4978	1878	5133	1	1	1	1	1	4708	1	1748	1	1	1	1	1	1	1	9044	7861	3117
515.4168@1.0599891	47472	1	72254	1	77335	1	1	55153	1	42131	84622	1	1	1	45215	50324	1	1	1	46657	96945	45130	1	59309	67595	1	49865	69927	59482	1	59495	77562	1	62807	90479	84614	66338
811.6266@1.0605087	1	1	12665	9524	12470	1	1	1	1	1	1	7846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C33 H38 O7	230380	29803	84377	125138	115071	27394	130989	135322	24958	36268	47374	35090	54537	73853	205512	89090	91300	167267	115283	3569	21669	112790	48814	33453	125730	225067	159696	21436	40382	1	60250	1	1	21025	19571	141941	78794
943.7618@1.058906	1	1	3942	16768	24104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49486	1	1	1	1	1	1	3123	6575	1	1	1	2261	1	3329	1	1
C27 H42 N6 O13	111988	130571	71798	55931	60026	23726	72076	46526	32145	37946	26582	70526	88931	39677	61702	54240	38833	33722	67164	16225	73411	43801	21969	110341	71561	51220	55722	41545	70673	34890	47892	43460	1	1	10323	9908	1
597.2639@1.0611343	1	7461	6118	4498	6401	1	8281	1	1	1	3755	5731	5878	4425	5107	4945	3547	1	2830	1	1	1	1	5781	4650	1	6280	1	1	1	1	1	1	1	1	1	1
Dibutyl phthalate	52722	85945	46201	58568	26414	61234	43913	36071	42004	68029	35237	44651	47118	48921	63751	48279	46097	53312	83612	59640	40892	44776	37384	50780	70331	87760	52282	57802	68477	1	47466	81285	70575	81173	74668	47858	59989
667.3047@1.0560665	2710	1	9460	5805	1	1	1	1	1	1	1	11472	6971	1	1	1	1	1	1	1	1	5029	1	8032	5409	1	4242	1	1	1	1	1	1	1	1	1	1
250.0396@1.0601326	10080	19449	15066	18450	1	1	15423	1	10550	14855	1	18442	13604	1	11106	1	1	7727	15283	1	10852	11143	1	21208	10463	9148	9848	13338	12682	1	14551	11244	1	1	14865	1	11194
396.1941@1.0579674	10926	16694	42118	14691	22219	16036	11178	1	16408	15690	1	1	14915	14596	31918	11993	23117	10341	1	1	13003	1	21836	20729	27172	15699	14690	9730	1	8785	22945	13115	1	1	14727	1	1
579.4935@1.0859385	1	1	10934	1	10484	1	1	1	1	1	1	1	11408	1	1	1	3942	1	1	1	5126	1	1	3198	1	1	1	1	8400	1	1	1	1	1	10355	1	1
C37 H73 S3	1	1	31540	1	1	27535	1	1	18615	10843	1	34996	1	1	1	22609	1	26651	1	1	1	9888	1	1	1	31752	1	35585	1	1	22654	17536	1	30664	1	1	20517
583.4658@1.0895883	1	1	23033	53893	1	1	32859	1	1	12068	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22114	1	1	1	1	1	1	1
559.5678@1.0626631	1	1	2758	1	1	1	1	1	3945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1056.2882@1.0526159	165404	230895	583838	289301	1442048	1300342	239798	1404562	1136573	1	729555	216389	209713	1	161210	171732	182969	248329	109595	98324	1	1	1230861	183826	87531	265919	1	97693	89872	141331	244402	196197	1	261297	170297	284408	191798
1053.2888@1.0525334	391721	534504	1452533	671104	3416590	3062064	548622	3041963	2797789	608357	1796798	487350	477577	473615	385160	383709	463008	624817	233018	221263	637297	610611	2966822	415330	193860	607330	532718	232068	202461	325265	579913	482187	1	628734	551326	660789	441420
769.5967@1.054469	1	1	12396	1	1	5728	2843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4326	2846	1	1	1	1	1	1	1	1	8573
312.1349@1.0625573	1	23772	18206	1	1	1	18500	1	1	1	1	15032	1	20318	1	1	1	1	1	12835	1	13145	16647	1	1	1	1	13972	1	1	18142	1	1	15103	10662	12525	1
529.4319@1.0638753	1	1	41797	1	20368	1	1	12482	1	1	1	1	1	11481	1	14570	1	1	25827	13064	1	14696	1	1	27197	1	1	1	15798	9115	11897	1	1	14676	1	1	1
700.4574@1.064	1	1	3275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1060.2847@1.0472581	1	4170	23948	1	1	1	7847	1	40036	1	1	8170	7394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8490	7446	1	1
713.6077@1.0710745	1	17759	13115	1	1	1	1	1	1	1	1	14730	14315	6167	1	1	1	1	1	1	12407	1	9485	14811	1	1	347558	15274	355323	1	8999	19514	17249	20273	10949	1	4355
867.7316@1.060831	1	84502	88092	16962	9668	4777	1	1	6951	1	15835	77890	1	1	1	1	1	1	1	1	1	1	1	1	17867	1	1	1	3610	325846	24698	19167	1	27337	1	1	1
C26 H14 N3	1	18372	16362	22889	9253	1	16818	1	1	17338	9606	22057	15509	11700	37649	11763	1	9263	13212	1	13662	7989	22539	17036	8622	1	12166	18308	15403	1	16283	11265	1	15044	15679	1	12480
571.4388@1.0658069	15445	1	15085	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H56 Cl N5 O4	145808	16864	74004	130821	1	1	106483	89939	1	1	1	36946	81531	1	90208	34731	37852	46492	74302	17576	1	64307	1	1	30156	58898	1	1	36912	1	1	1	3924	1	44971	44408	95193
593.3905@1.0976511	13958	6874	12474	1	1	1	1	11972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10178	1	1	1	1	1	1
855.7233@1.0580627	1	1	2268	10633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8383	1	1	1	1	1	1	1
TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3]	12362	1	29764	35632	1	10394	1	1	26055	1	8227	1	15677	32617	1	4488	1	1	3333	43782	1	15852	6574	1	5867	1	1	1	6510	1	48984	1	6015	16100	1	1	1
C32 H55 N O S	124764	40370	155624	29856	134062	33594	1	62584	20425	1	1	1	1	1	95042	42171	40301	1	76429	37664	53861	126079	42757	20704	115136	1	112184	39163	29875	33567	1	1	23460	47576	1	39604	30765
C22 H41 N5 O	13956	19958	28183	9755	22248	19096	1	1	21451	24746	8909	1	1	18342	1	17652	1	1	19417	9339	1	1	19789	14099	1	1	1	21052	1	1	1	1	1	1	15859	1	1
863.7574@1.061644	1	1	4877	1	19593	1	1995	1	7838	6069	1	1	1	1	1	1	1	3682	1	1	1	1	1	1411	1	1	1	1	1	2446	1	1	1	1	1	1	1
C22 H42 N6 O	1	5601	8649	1	1	1	7762	1	1	10386	1	1	4730	3376	9929	3877	1	1	8905	1	9309	1	1	9727	12014	13781	14604	6612	5271	8075	1	1	2611	1	1	1	3216
Isosafrole	19722	35242	20771	44941	1	1	21143	1	1	19297	1	20243	19908	18463	1	14733	1	1	176389	1	20789	1	22997	21986	22467	18837	18399	22014	1	1	17331	17951	1	22987	15640	19771	19806
C19 H37 N8	1	18868	35161	25225	1	11660	8871	7470	23797	15652	12414	15466	8378	14823	8655	19851	10871	9547	1	11309	6921	1	13219	1	9651	9015	13406	14798	10080	1	13324	7438	14841	11165	1	15578	18010
946.2781@1.0655174	1	1	36366	1	36929	42418	1	55281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
478.3653@1.0605552	190486	1	13217	1	1	1	1	19639	1	1	1	1	1	1	1	1	1	1	1	1	1	7324	1	1	1	112537	192832	1	3285	8524	8516	1	1	1	1	1	1
C29 H48 Cl N2	92720	1	63657	33597	58410	40346	64363	47813	41247	1	39920	1	59796	48647	82831	46297	1	63649	76396	38668	46877	43553	33562	1	49061	53602	33144	9720	1	1	1	1	1	1	46384	61072	77478
1023.2955@1.0483788	1	1	9129	1	1	1	1	18498	14653	1	1	1	1	1	1	1	3097	1	1	1	1	1	16818	1	1	1	1	1	1	1	1	1	30423	5626	4265	1	1
1095.317@1.0588323	1	1	17711	1	33348	1	1	1	1	1	18221	1	2142	1	3331	1	5169	7739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Deoxymiroestrol	1	49534	20300	43693	1	21187	1	1	21136	28580	12820	1	30197	27416	1	14481	1	1	247251	1	1	1	32267	26609	27277	1	19233	34300	1	1	31039	19264	1	31241	18224	1	1
651.3093@1.0666243	4112	5338	5948	1	4459	1	4300	1	3975	1	1	5451	1	1	1	1	1	1	1	1	8325	1	1	1	1	3437	3854	5276	1	1	1	1	1	1	1	3193	1
C30 H58 O5 S	1779675	567113	2406774	2631966	6106569	1315863	3833843	1890568	815780	625854	784591	977810	1542091	1242498	2054341	2279046	1861275	3330965	2301508	2233255	747713	1905899	1109923	847724	1683209	4046132	908781	2720551	6053694	331362	1122431	904440	803872	1985697	1312335	3292408	1779747
1094.3148@1.0622003	1	1	7453	8709	18609	32600	1	37974	32207	1	1	1	1	1	1	1	1	1	1	1	1	1	47557	1	1	9314	1	1	1	1	6772	1	60663	1	8437	1	1
463.3083@1.0678707	1	1	28077	1	1	1	1	1	1	1	1	1	1	1	1	15804	6222	1	1	1	1	1	1	1	1	1	1	1	1	1	12835	13094	1	1	10762	1	1
719.4914@1.0708935	1	1	18976	1	36527	1	1	1	1	1	1	1	1	11584	15384	3657	1	1	9997	1	1	11407	1	1	1	1	1	1	8538	1	1	1	1	9968	1	1	1
647.5672@1.0598905	3034	1	6111	10599	1	1	26266	1	1	1	18489	1	1	1	1	13466	1	4291	1	1	1	1	1	1	1	1	5561	3151	1	10631	1	1	1	1	1	1	1
603.5417@1.0597131	1	1	15055	22591	20218	3579	12124	1	4129	1	1	1	1	1	10236	7838	10485	1	1	11055	4196	1	1	1	1	13032	10409	10593	1	1	1	1	1	11062	3003	1	7806
1020.2957@1.0391421	1	1	28261	1	13546	63845	1	51545	37697	11552	1	6170	1	3385	7512	9205	11828	14270	1	1	3494	9657	50442	1	1	9354	1	1	1	3655	1	13254	82855	18527	15560	26334	1
422.3146@1.064277	1	15637	13229	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31214	1	1	1	1	1	1	1	1
C22 H38 O3	29252	10551	13512	21985	33521	13784	1	12575	13013	1	10093	1	1	1	12486	1	7506	1	15001	11572	15530	14708	10240	1	9183	20574	1	9730	17889	1	1	1	1	12558	15146	8702	1
C27 H44 N10 O5 S2	4521	1	5359	1	9270	1	7651	6842	1	19556	4950	5908	6011	1	11517	6738	5885	7162	1	1	1	7134	19505	5040	8658	7376	5697	1	2585	1	4172	1	1	1	1	1	1
751.6676@1.0591723	1	1	10819	4921	1	1	1	1	24200	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16692	1	1	1	3622	1	1	1	1	1	1	1
902.7356@1.068	1	1	142237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
509.4287@1.0667288	1	1	15888	189469	22759	6693	10874	1	17474	29713	1	11665	14864	1	1	1	1	1	1	16381	1	1	10439	1	1	12865	1	1	1	1	1	1	1	1	1	6642	7011
C31 H40 N O	1	42114	49920	5732	16109	9098	11325	1	35045	1	1	1	10947	1	26791	1	1	5242	1	17501	11228	6720	1	1	1	1	47984	1	1	1	1	8876	1	1	1	1	32299
495.4132@1.0686501	27856	1	27400	194635	1	1	26323	53344	1	38619	1	17778	1	1	20835	1	1	1	1	1	1	1	1	1	10966	38865	10584	29336	1	1	7089	1	1	1	1	1	9473
C19 H48 Cl N8 O3	78085	17451	24866	15787	39144	1	46650	28432	1	1	17840	1	10159	15344	18220	1	15996	23425	32834	1	10861	1	1	20757	1	26149	20574	9987	11565	1	1	13639	1	11675	11452	22337	23048
635.4527@1.0791364	54144	1	11623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16751	1
872.2581@1.0668323	1	1	16620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27374	1	1	1	1
236.1411@1.0957341	1	1	61771	1	1	1	1	1	1	59067	1	39119	1	1	1	1	1	1	19066	1	41444	1	1	49244	16826	1	1	40053	1	1	22610	1	48692	1	1	1	1
543.4464@1.0752761	1	38823	69677	1	1	1	1	1	1	1	33547	1	13717	59930	1	1	27114	1	32880	1	1	1	1	1	1	1	1	75980	1	1	31130	1	1	1	1	1	1
1113.2908@1.0719622	1	1	4235	1	18105	10572	1	9643	10337	1	1	1	1	1	1	1	1	1	1	1	1	1	13037	1	1	1	1	1	1	1	1	1	15760	1	1	1	1
945.777@1.0643494	1	33030	59128	46213	1	1	1	1	32454	15164	7266	39038	23953	1	1	1	1	1	1	22845	1	1	10691	38292	5768	1	1	10581	11844	465248	1	1	15585	27148	1	1	1
713.5093@1.0712562	1	1	11264	11772	1	1	1	1	6185	1	1	1	1	1	1	1	8142	1	1	1	1	1	1	1	1	1	1	1	1	10776	1	1	3490	1	1	1	11623
971.7858@1.0653279	1	1	4725	9843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
875.2583@1.0216286	1	8282	5016	6944	1	3414	4822	12427	1	6144	14134	1	5611	1	4828	1	5396	9273	1	1	1	1	1	1	1	5820	1	1	1	3022	1	8466	29058	8185	9921	10643	7032
Norepinephrine sulfate + 1.0737517	1	227334	6907	1	4538	17973	1	1	9108	6603	11253	1	1	4330	1	1	8978	1	1	12862	1	1	1	1	1	1	1	7831	1	1	5970	4279	1	1	1	1	1
385.2814@1.0749104	6790	16459	21621	1	25166	17007	1	1	1	1	1	13264	1	9091	27312	10017	1	16738	5919	1	8024	1	1	1	1	41222	1	9581	1	1	1	14839	1	1	1	1	11642
190.1722@1.070908	41210	75869	79674	52089	1	75643	61542	1	1	43513	55366	64376	47740	40345	44362	1	1	1	1	1	1	1	1	51191	1	1	1	1	51980	19758	38436	1	1	1	46322	1	1
555.4421@1.1298014	1	1	101888	53542	1	1	1	13871	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28323	1	1	1	10853	1	1	1	1	1	1	1
1515.4095@1.0713822	7533	20854	19244	60529	31423	50117	47016	100641	29475	9109	34526	23800	1	1	1	1	1	13359	1	1	19301	1	19472	10125	1	12221	9362	1	1	1	50353	5961	46454	11245	1	1	1
C26 H51 N13 S	1	12706	32321	1	53868	6492	1	1	1	1	18723	1	1	1	1	17638	36504	1	1	1	1	6469	1	1	1	1	1	7341	1	1	4121	6551	1	1	7259	1	1
C27 H41 N2 S	1	1	44872	1	16257	12169	1	1	1	9349	1	1	14533	15029	22351	1	1	1	17882	1	1	10284	1	1	1	10703	1	1	27521	1	23340	10059	1	1	1	1	1
709.483@1.0714159	1	1	18916	1	1	1	1	1	1	1	1	1	1	1	5619	1	1	1	1	1	1	1	1	1	1	6034	1	1	1	1	1	1	1	1	1	1	14012
C27 H52 Cl N3 O2	705797	19159	144878	115017	176584	90641	514967	381941	14835	1	98706	78189	128418	45969	226970	74459	55638	223141	163432	29179	20417	248766	46935	1	1	145823	179789	23615	1	1	21361	15963	15090	87871	26390	294265	325668
462.3704@1.0692612	1	9221	16908	1	21106	1	22104	17089	1	8031	1	1	11293	1	1	10250	9069	1	1	1	1	9682	1	1	1	1	1	1	1	15438	1	1	1	1	1	16337	1
DG(15:0/16:1(9Z)/0:0)	1	18265	17743	1	1	19019	1	1	1	1	48996	40679	12467	13074	1	20475	15241	1	22369	1	19373	7184	15683	10725	8108	1	1	20953	1	1	23055	8063	1	15373	1	1	1
539.3454@1.0546668	1	1	35895	1	1	1	1	1	1	1	1	17155	1	10775	1	1	1	9780	1	1	1	1	1	11266	1	1	1	1	13796	9240	1	1	1	1	1	1	1
456.3616@1.0708945	1	1	6285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3434	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H40 O3	10784	26776	40613	46103	21688	34699	88761	24015	25489	30981	18304	25518	22273	13904	23613	29892	1	22584	1	21839	26354	32698	29524	45137	23821	50368	25672	32206	20658	2224	31179	26333	12048	1	30697	30608	32803
625.4789@1.0741868	1	1	40493	45075	1	1	1	1	1	1	29253	1	1	1	39274	1	24121	1	1	1	1	22310	1	1	1	1	1	1	1	14695	1	19536	1	1	1	1	1
729.6011@1.0772991	1	1	12529	1	9629	7704	1	1	1	1	1	1	8521	1	1	1	2852	1	1	1	1	1	1	1	8465	1	1	1	1	1	3511	1	1	1	10186	1	12655
C22 H51 N4 O5 S	235004	13730	132889	43624	99180	14991	207798	107211	15692	101842	49538	27888	85206	1	120011	55581	1	112750	70159	30926	1	168923	1	1	55688	1	95140	9494	157481	1	17233	1	1	33808	1	138893	203748
326.0708@1.0717598	3359	1	7419	7425	1	1	1	1	1	7466	1	1	1	1	25168	1	3892	1	1	1	1	1	1	4267	5813	7571	5468	1	1	1	1	1	1	1	1	1	5619
506.4349@1.0742558	1	1	19089	1	1	1	1	1	1	1	1	1	1	3855	1	1	1	1	1	1	5036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H47 N4 S2	13864	31255	34313	18161	39887	34284	1	1	1	30418	33470	33625	25288	26874	1	22429	1	1	1	27446	18629	21897	24041	33866	24268	1	16519	33251	30909	1	1	20509	1	34644	60722	1	26524
C18 H31 N8	30931	37349	36196	37431	35732	49143	36998	1	36078	38413	40326	46902	43670	27950	48134	35292	27945	41304	1	34192	29336	28547	1	51632	45451	61193	43624	48668	43339	1	41608	65112	39645	47829	46884	37185	43933
458.3756@1.0760603	13274	1	31418	11879	1	1	1	1	1	16809	1	1	9786	1	1	10160	7990	11434	1	1	1	12949	7035	9525	1	1	1	1	2610	1	8749	9204	1	1	11163	9851	10278
126.1043@1.0745335	58594	1	80570	1	1	1	12585	1	1	1	1	1	9835	1	12858	1	1	1	1	1	1	10052	1	1	1	1	55568	1	1	1	1	1	1	1	1	51970	16970
765.6833@1.0705124	1544	1	19129	31170	10337	1	1	1	64905	12374	14078	1	16696	4025	1	1	1	1	12849	14035	10455	1	4609	1	20988	29500	5001	1	1	1	1	1	1	8798	1	1	2217
627.4999@1.0716351	42190	1	72933	1	1	1	1	1	1	36230	47319	1	1	1	8715	8278	1	1	22174	17155	1	35025	1	1	1	25158	21386	19354	1	1	1	7701	1	17789	8580	32190	1
Homaline	108208	1	16397	11971	1	1	89019	70217	1	1	1	1	11120	1	61736	1	1	42016	1	1	1	1	5852	1	1	75772	22174	1	14564	1	1	1	1	4702	1	59038	68348
208.1459@1.0742645	93654	1	23821	1	1	1	25897	1	13147	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32229	1	1	1	1	1	1	1	1	1	1
511.3502@1.0874535	1	33053	26424	10828	1	1	13558	1	1	1	11440	1	1	1	1	1	1	19540	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8365	1	1
499.3841@1.0676539	1	1	133709	1	1	1	1	18683	1	1	1	1	23063	5133	13776	1	1	16740	12965	1	1	1	1	1	19693	1	9794	1	1	1	1	1	1	1	1	1	1
487.3856@1.0711657	217025	1	89728	1	1	1	1	1	1	68338	1	1	1	1	1	66038	63361	1	1	1	83832	1	39809	49463	80247	122649	1	61427	1	13117	1	53505	1	1	1	1	1
C30 H57 N O7	78288	1	64193	98942	100834	1	1	1	19714	1	1	25683	53140	29517	1	1	1	34346	49310	1	57647	1	38924	31197	69534	79871	103250	42362	30436	1	1	56933	1	1	1	1	5852
C32 H57 Cl N2 O	51270	1	36894	1	103373	1	46930	25478	1	65360	1	36116	1	22312	26264	1	67700	29410	1	1	1	1	23380	1	29643	29537	34565	1	1	1	1	18570	1	1	1	30521	27965
595.4076@1.07339	28843	1	52460	1	1	1	36608	1	1	1	10375	1	11096	1	18327	1	4632	42980	1	1	1	21975	1	1	1	16159	11480	1	1	1	1	1	1	1	1	14528	20030
306.2553@1.0768058	55347	9477	14980	1	1	13337	19989	17575	1	9873	9923	1	34925	1	13122	1	7068	1	1	1	1	10884	1	1	24429	17406	33313	7041	11421	1	1	1	1	6608	1	1	1
769.4948@1.128161	1	14399	28041	9693	8610	11612	1	1	13315	10051	1	1	1	1	7354	8596	12965	4133	1	1	10749	1	13047	14551	1	1	1	1	7874	1	13969	9318	3927	10304	7734	1	32756
516.3811@1.0857365	1	1	11630	1	28952	1	1	1	1	1	1	1	18754	1	12856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14067	1
926.7273@1.0728252	1	1	3858	7768	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.1827@1.07706	7609	1	14095	16018	1	12001	22014	1	1	1	13921	1	1	1	1	1	42966	10476	45112	1	1	1	1	7189	1	9967	1	58840	7997	1	1	9559	5836	1	1	53093	1
527.3809@1.0739226	44617	1	50593	1	1	20803	105148	1	21276	1	65247	26284	1	33967	1	1	1	28136	1	28013	22082	53157	1	1	1	55859	1	1	1	1	1	1	17373	27516	1	55705	1
C26 H28 N4 O6 S	58657	178244	70995	68176	72406	58145	62779	43191	75416	73310	59612	94888	77058	77781	67002	68264	63432	53851	10679	47376	74989	47897	49852	70447	58933	54917	61721	53558	55687	1	72521	46781	1	1	1	7217	1
777.5023@1.0220463	1	1	15485	1	8055	1	3243	1	1	1	1	1	3463	1	1	1	1	1	1	1	1	9014	2831	1	1	1	1	1828	4838	1	1	1	1	5530	1	4972	1
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid	10288	27609	10588	19888	13883	1	1	1	15757	13909	1	1	20149	19586	56535	1	15544	5689	23746	18646	1	1	1	15369	22196	23877	21263	1	13792	1	21433	1	15339	10009	14590	17865	14003
661.4825@1.0778202	3607	1	7553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11837	1	5767	1	1	1	1	1	1	1	1	1	17308
1519.4092@1.0694878	1	6548	6013	1	1	1	1	1	1	1	1	1	1594	1	1	1	1	1	1	1	1	1	5831	1	1	1	1	1	1	1	1	11310	1	1	1	1	1
TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6]	1	9462	4315	1	12158	2728	1	1	12523	3198	2759	6467	1	1	1	1	1	1	1	2607	1	1	1	1	1	1	1	1	1	5396	1	1	1	1	1	1	1
646.4476@1.0983417	1	1	4620	1	1	1	1	1	1	1	1	1	1	1	1	5447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5885	1	1	2147	1	1
1134.3033@1.0677418	6807	1	11102	6528	40197	43177	4727	1	1	1	1	1	1	4098	1	3720	1	1	1	1	4817	1	1	1	1	7840	2988	1	1	1	4310	1	63360	1	1	1	1
1130.3066@1.0711542	1	172254	302369	1	1042294	1046708	1	952583	916976	1	458158	151713	132885	137473	111557	112949	1	1	69470	65080	153498	100584	1	117360	1	1	115026	68124	1	39406	166771	139270	1	172299	136107	1	1
599.4617@1.0790639	1	1	36851	1	64848	65388	1	28852	1	1	32836	62840	37062	1	36384	60036	29337	1	65166	19873	1	24335	1	1	26465	19099	36244	38999	13762	1	43278	42314	1	35789	52272	29600	1
735.4917@1.075453	1	1	11689	1	22981	1	17370	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.5431@1.0751616	39683	1	30027	1	1	1	15894	26235	1	1	1	1	1	1	1	1	1	1	19062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
558.3946@1.1021146	1	1	24494	1	1	1	1	1	1	1	1	8615	9240	1	1	8534	1	1	1	1	1	1	11806	1	1	1	1	1	1	1	1	1	1	10470	1	1	1
497.3713@1.095833	7790	1	29505	1	85484	1	1	137400	1	11210	1	40727	87678	12880	135719	17358	10837	115473	1	1	29009	68180	26714	31807	7103	33437	154271	10145	26614	1	30937	20631	9478	1	16129	1	32226
492.3436@1.0735909	111422	1	44723	1	1	1	1	51224	1	1	1	1	1	1	1	1	1	1	40791	1	1	41201	1	1	1	1	56450	1	1	1	1	1	1	1	1	54620	1
Didrovaltratum	1	8335	9122	4869	6814	6524	1	1	8857	6649	1	1	1	1	3820	1	6474	1	1	5566	1	52269	1	6812	1	1	1	6725	1	1	1	5805	1	3675	1	1	1
Bisindolylmaleimide I	46200	20197	21784	1	1	9173	1	26193	19717	25813	10868	1	28480	1	39595	21240	19281	1	23241	11548	11244	23695	18859	1	20403	1	24091	13590	1	1	25367	16575	1	1	12520	24007	1
272.2142@1.080932	8313	1	9202	1	1	1	1	8329	1	1	1	1	1	1	1	1	6837	3437	7282	5513	1	11514	1	6654	1	1	1	1	1	1	1	1	1	1	6922	1	1
645.4779@1.0756751	1	1	7851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12502	1	1	1	1	17443	1	1	10424	1	1	1	1	1
581.4252@1.0756241	65907	1	42189	1	1	1	84272	25939	1	1	33286	1	32196	1	1	13097	1	1	21778	1	1	23083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24587
690.4765@1.0909339	81061	1	12339	1	28783	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
478.4028@1.0757929	1	1	5029	1	1	1	1	1	1	1	1	1	1	9596	1	1	1	1	1	5036	1	1	1	5928	1	1	1	1	1	1	1	1	1	1	1	1	1
481.3418@1.0745233	1	1	25054	1	1	1	1	1	1	1	1	1	1	1	1	1	8007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H39 N S	79667	71428	80218	78721	69829	92979	84166	52535	64946	69005	70975	90423	63220	59167	62461	60286	46371	74492	48343	59022	45762	55624	43376	60412	58051	77429	64926	72409	66952	1	54588	69522	67486	64646	71070	59918	54363
539.3828@1.0744824	106972	1	78646	1	1	1	1	1	1	1	1	1	1	1	148003	1	1	1	1	1	1	1	1	1	1	1	38275	1	1	1	1	1	1	1	1	1	1
453.3301@1.1182487	1	1	90785	273423	1	1	1	1	1	7507	1	1	1	17108	1	6065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37676	1	1	1	1	1	1
638.5531@1.0750242	1	1	4398	1	1	1	1	1	1	2150	1	1	1	1	1	4046	2262	1	1	1	1	1	1	1	2874	1	1	1	1	1	1	1	1	1	1868	1	1
Pro Trp Cys	20604	19399	9727	13963	8985	12448	10826	9631	1	11857	1	15275	8261	14193	15384	1	1	1	11767	1	18506	10081	1	16669	1	11215	1	8352	1	1	10174	7688	1	1	6462	1	1
448.2782@1.0783165	1	1	7817	1	1	1	1	1	1	1	1	1	7721	1	1	1	1	6766	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11942
883.7614@1.075517	1	1	8108	1	8812	1	1	1	8755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
811.5063@1.075	1	1	6027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
544.3802@1.0776488	18978	1	6890	1	1	1	1	1	22529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
659.5256@1.1085991	1	1	6798	1	1	1	1	1	1	1	12580	1	1	1	1	1	1	11134	1	1	1	1	1	1	1	1	37876	1	1	1	1	1	1	1	1	1	1
843.4997@1.076	1	1	5621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
416.3288@1.1165677	54637	1	47787	33372	76603	98450	86655	94763	9849	13218	100125	9728	22095	1	45239	1	27268	71837	47088	14130	1	49680	23011	9276	112214	40326	65960	100237	1	70268	1	92824	91872	22487	95724	63740	106663
152.1198@1.0796659	1	1	113065	1	87230	1	73153	77431	19871	1	47981	1	64108	22922	1	1	18822	1	1	1	1	45190	1	1	1	87740	57191	27037	41649	1	45992	1	1	1	1	1	1
601.4862@1.1108191	25309	1	39764	11683	1	1	1	69788	1	17799	12506	3305	6086	10313	34003	1	1	1	4251	22331	1	2639	9127	1	1	1	1	25439	1	1	1	1	1	20366	1	1	1
817.715@1.0683311	1	6623	49401	21672	10719	2399	1	1	1	1	1	6823	20807	1	1	1	1	2086	3966	1	22782	1	1	8959	5903	10514	1	2643	1	1	2921	20081	1	2088	1	1	1
C29 H47 N8 O3	140545	1	112485	72712	1	1	81588	188275	1	1	17142	1	1	32232	137385	61799	1	50692	90545	1	1	41776	1	1	1	32527	8403	1	58384	1	1	1	1	55299	1	196550	57913
779.6995@1.075846	1	8428	20672	1	18972	1	1	1	54262	6429	6944	1	14506	1	1	1	1	1	14791	14159	9356	1	10277	1	23464	23650	12668	1	1	1	8030	9464	10372	1	1	12370	2559
166.1366@1.0787908	1	1	15636	1	1	1	25743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10310	1	1	1	1	1	1	1	1	1	1
C26 H47 N2 O3	1	10100	10392	72669	1	1	40383	1	43844	9885	8139	1	10430	28557	1	9183	1	1	14109	1	10327	8233	16495	1	15909	12561	1	1	8384	1	9312	1	1	1	11243	1	1
761.4917@1.0784193	20973	1	15096	7701	1	1	1	1	1	1	1	3030	1	10149	1	1	1	14272	6865	1	1	9635	4657	1	5630	1	1	1	1	1	1	1	1	7308	1	1	1
335.1597@1.0755482	1	1	11734	1	1	1	1	1	1	1	1	1	7327	4191	1	4635	3192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6850	1	4770	6155
585.4535@1.0575724	1	1	102515	1	1	1	1	1	1	1	1	42894	12234	7407	1	1	1	1	14025	1	1	1	1	6468	1	1	1	1	5591	1	1	1	1	1	5856	1	1
631.4471@1.0923928	46869	1	18409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19706	1	1	1	1	1	1	1	1
748.5288@1.079404	1	1	10389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4964	1
389.2769@1.0787804	98393	1	21661	17734	17732	1	43352	46580	1	1	1	1	1	1	1	1	1	1	17148	1	1	13198	1	1	1	1	26396	1	1	1	1	1	1	1	1	23688	1
855.6388@1.0773718	1	1	4336	1	1	1	3555	1	1	1	1	7184	1	1	1	1	1	1	1	1	1	1	1	1	1	3740	4342	1	1	1	1	1	1	1	1	1	1
518.3636@1.0768087	83049	1	7199	1	1	1	29027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
712.4943@1.0765457	1	1	24320	1	1	1	1	1	1	1	1	1	1	1	1	8281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
513.3286@1.0728052	1	1	17849	1	1	1	18233	1	1	8405	1	1	1	1	1	1	1	1	1	1	1	11153	1	1	1	1	1	1	1	1	6045	7876	1	6349	1	14297	18016
467.3223@1.104162	1	1	10682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3346	1	1	1	1	1	1	1	1	1	1	1	1
(±)11-HEDE	41836	6054	18625	26754	26578	1	19957	9303	6674	1	6569	6475	12577	4688	20275	5885	10897	18491	27683	1	5451	18900	1	7341	1	26903	26216	6108	10426	1	1	5067	1	1	8019	16771	23328
387.3358@1.0740346	1	1	100290	1	49043	24388	34047	1	1	1	1	19289	27054	1	1	1	1	1	19792	1	1	1	54649	1	1	1	57893	1	1	1	1	15271	1	43369	1	52366	1
C36 H65 Cl N2 O	53343	1	57594	10080	79846	80679	73153	1	56187	78252	32071	41998	66265	21716	28300	50362	41174	35091	51130	53308	111363	38264	49173	70941	1	35097	29396	71532	127272	1	50042	42202	1	43146	74846	58510	21201
266.2256@1.1315008	1	1	6056	1	9187	1	1	1	1	1	1	1	5178	1	1	1	1	1	1	1	1	1	1	1	1	1	8553	14112	1	1	1	1	1	1	13037	1	1
C14 H31 N7 O2	1	1	42413	181744	852327	30032	41583	60340	1	1	1	1	12616	1	445001	165866	297334	22637	335352	1	52303	21403	1	1	25998	414735	1	1	1	1	1	1	27340	1	1	1	62220
Androsterone	1	24795	25906	29994	24528	1	17520	15406	12749	28040	29254	25112	15437	10719	1	1	1	1	16866	1	29467	1	15485	1	12918	97737	18719	1	1	1	27249	1	18054	28761	26503	27886	17398
461.4228@1.0824602	1	1	30398	1	6167	1	1	1	6152	7587	1	7264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4275	1	1	4518	1	1	1	1	1	1
603.3975@1.0941832	1	1	27792	1	1	1	1	1	39164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7822	16854
1168.3325@1.0746654	1	1	9479	1	1	1	1	1	18366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
455.1669@1.078	1	1	2950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H56 N9 O2	21305	17506	43565	29298	48896	33955	26540	10557	36286	44419	18809	18151	28738	16761	21655	14790	17718	23049	1	24851	1	24995	11856	41711	28474	22914	35786	1	42966	1	20190	19068	26189	29864	17768	6915	22473
749.465@1.078	1	1	5718	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
308.2328@1.0689459	48817	1	83405	1	27487	1	25920	1	71968	1	1	1	35893	13998	1	11808	18230	25370	1	1	1	1	1	64141	1	23459	1	1	1	1	1	1	1	1	1	1	16163
898.7805@1.081176	1	50037	50913	79544	36116	1	1	1	104657	1	1	39611	15396	45005	1	1	8125	1	12709	44697	35706	1	1	46794	15742	1	1	24221	14795	80427	21572	1	29641	16810	1	1	1
669.3199@1.0753328	11947	18141	12763	15490	1	10492	33714	27727	1	1	1	19695	13955	19043	29899	18878	15434	15310	17941	12169	19748	15399	1	16441	25024	17386	19909	12239	12080	1	16354	12680	1	1	1	5654	1
368.2921@1.073756	1	1	7396	1	1	1	8945	1	1	19988	1	19411	1	1	1	13442	1	1	1	1	5841	1	1	1	1	1	1	1	1	1	1	1	5409	1	2608	1	1
C30 H50 Cl N2	1	24711	97426	41727	94799	1	1	52098	1	1	1	40050	1	74484	65198	42718	1	1	76689	1	1	46699	1	37402	1	46894	1	37535	1	16347	64806	5119	1	1	39279	1	1
C35 H56 N4 O	1	1	9070	1	28411	1	1	1	13414	1	1	16391	1	12475	1	1	1	1	28381	14984	1	1	8126	16390	1	1	1	1	1	1	1	10137	2942	14604	1	1	14724
442.373@1.0751795	1	7265	12596	1	1	1	1	1	12022	1	7521	1	17823	1	1	1	1	1	1	1	1	1	1	1	3993	11705	1	1	1	1	1	1	1	1	1	1	1
4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	48128	60187	87438	15942	73633	27832	91805	73287	88405	47211	26227	30071	74999	21929	28110	49749	54169	28556	33084	26643	66923	51741	22477	24275	38955	1	34397	27323	54954	1	47850	53765	1	21131	78072	95045	25994
?-Linolenic Acid	1442688	112615	306022	185712	571253	83654	567467	404280	76452	129089	1	99476	283974	150752	487372	206558	167400	316317	341820	146743	144915	384107	174453	87503	65001	382543	408899	110896	175778	1	143851	84379	60094	119451	168530	377797	404293
795.5135@1.078	1	1	5476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
188.1517@1.114877	1	1	4013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4242	1	1	1	1	1	1
440.205@1.1363019	1	1	4434	1	121555	1	4709	1	1	1	11815	1	1	1	1	1	1	1	1	1	1	6438	1	1	1	53376	27438	1	1	1	1	1	1	1	1	4157	1
845.7469@1.0814769	1	66264	120483	157131	1	33042	9287	1	111934	42925	41376	53168	1	1	1	15840	11400	10650	20296	1	1	1	19112	58069	20541	39707	4689	26589	16965	1	1	27679	27114	1	11139	16076	10922
234.1621@1.1868278	1	1	12729	1	1	1	1	1	1	1	1	66260	51213	9918	41250	1	1	1	1	1	24320	17957	1	1	1	23939	32565	1	21772	1	6200	1	1	1	1	1	1
876.7159@1.0761182	1	2655	6839	1	1	2639	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3968	1	1	1	1	1	1	2875	1	1	1	1	1	1
Spergualin	37918	103932	64052	52864	66605	1	74844	46774	82377	1	58902	1	98218	61087	1	52383	48686	1	43686	49873	90561	47472	55204	1	82691	1	49740	140528	74210	1	1	99364	1	89725	123878	62170	1
C22 H40 O	4894	1	18055	5641	1	5785	13688	1	1	3336	1	15074	2820	1	1	1	1	3981	1	1	1	1	7227	1	1	1	1	3296	1	1	8560	1	6970	1	1	1	1
488.3548@1.1089407	33382	1	20245	1	1	1	10643	1	1	1	1	1	1	1	1	1	1	1	12164	1	59715	6077	1	33357	1	1	1	1	1	1	1	1	1	1	11100	1	1
675.4984@1.0854096	1	1	24967	1	1	1	1	1	1	1	1	6773	1	1	1	9530	1	34286	1	3828	1	14834	1	1	1	28229	36108	1	1	1	1	1	1	1	1	1	1
922.7797@1.0765321	1	49188	64667	80284	35321	1	4244	1	41710	16968	18576	1	1	1	1	1	1	3586	1	1	1	4530	15834	1	1	1	1	25202	1	1	1	1	21717	1	1	1	1
Xanthoaphin	1	1	29952	1	1	48203	20636	1	57254	40270	27149	1	12570	16012	1	21747	20530	6822	8711	21090	15626	8928	16389	13634	56160	2835	1	39550	1	1	27056	27836	9502	30064	11512	7902	13161
785.4944@1.0823408	1	1	10118	1	1	1	11490	6087	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14555	1
C27 H43 N2 O3	90762	31113	58710	1	65431	38659	66391	52262	43747	1	44058	51152	49005	1	39884	40796	1	58138	45053	1	1	56547	1	1	1	55096	41358	42040	48157	7941	45696	28724	33893	35911	36532	61566	74047
258.1975@1.0788773	31177	19215	27484	1	1	10984	12580	16139	11542	1	1	1	9932	6461	1	1	1	15484	1	1	1	1	1	1	1	10473	10194	9696	1	1	9065	9864	6703	13320	9075	1	1
C18 H43 N10 O2	1	34621	23815	1	38315	25567	1	1	29424	1	11849	18833	26180	1	2697	1	1	1	1	24226	1	1	1	1	17056	1	1	13449	16024	1	26358	1	1	1	1	1	15732
4-oxo-2-Nonenal	638661	1	25594	116056	19915	1	227469	65173	1	1	126760	55690	1	1	60391	13604	121781	150228	25436	1	1	24816	75417	1	18333	1	44058	1	106976	1	1	57245	1	58222	69549	196483	54258
437.3556@1.0800562	1	1	23195	1	1	5455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)	58884	1	47954	1	64399	55016	60108	78321	50816	40283	1	1	53341	1	1	38875	36361	1	1	40977	1	26801	1	50358	1	1	41994	48848	71089	1	58935	32541	1	1	88504	61799	16197
17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one	1	1	65581	9472	1	20646	6017	1	21421	33578	1	60080	59007	12132	1	11454	1	1	1	30258	64798	1	13994	68653	9126	1	1	25511	69645	1	1	34081	24240	48039	1	1	7127
C32 H55 N O2 S	269755	33509	71131	60099	123644	31297	114526	1	38477	75764	1	1	72792	64927	52999	58956	59203	1	86949	48783	1	90118	29848	20914	158418	1	80669	38065	20928	1	22115	1	29468	45815	48756	92129	88158
C25 H24 N3 O2	23409	26668	23238	21910	1	18877	18038	1	24012	23148	17106	1	22249	20048	1	20761	18349	17340	16557	1	25578	1	1	20187	1	20307	19427	22083	13414	1	25694	16121	1	1	1	1	2925
180.1146@1.1196269	20883	1	88971	1	1	1	17626	1	1	1	158276	21247	45667	1	28569	1	1	1	1	1	1	1	1	1	1	1	1	36268	1	1	1	1	1	1	1	1	1
372.2657@1.08	1	1	12215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
871.7622@1.079132	15774	436676	511260	465689	260325	84840	1	1	600968	1	132838	236107	55102	131438	1	64670	34898	39787	29908	163589	155860	1	70549	1	59077	19839	7961	75467	1	1043041	210034	126685	124844	74158	23730	16173	1
522.4186@1.0803949	1	1	10998	1	1	28662	1	1	1	14303	1	1	1	1	1	1	1	7142	13929	1	1	1	1	1	15876	1	1	1	1	1	1	7423	8459	1	1	1	1
284.1787@1.0806098	1	1	105401	1	9876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
715.5259@1.0864782	16641	1	17891	45210	18051	1	5840	1	21225	1	1	1	1	1	28101	17603	1	1	1	1	7105	12666	16261	8214	40154	21915	1	11365	1	1	12019	1	1	1	1	17571	17894
565.3608@1.0761251	1	1	11056	1	1	1	4171	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10054	1	1	1	1	1	1	1	1	1	1
224.1773@1.1067406	19391	1	39435	1	43979	1	1	1	1	1	1	5999	28481	21185	1	1	25857	1	14101	6523	60592	1	14526	1	14723	1	1	1	1	1	1	1	1	1	1	1	1
260.2137@1.0908653	21891	1	5027	1	1	1	6752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4994	1	1	1	1	1	1	1	1	1	1	1	13231
Thr Trp Asn	1	1	17880	1	16666	1	1	1	1	15299	5497	1	12102	6624	1	7101	3975	1	1	1	1	1	8838	1	1	4553	1	1	10262	1	7124	1	1	14492	1	1	7960
C38 H80 Cl N2 S	12603	1	22634	24573	60298	9584	21034	5170	1	9609	22964	6985	14226	13176	26662	11273	15271	16619	14465	8511	2368	1	1	4644	11991	1	26542	1	1	1	10294	1	1	4942	1	9211	11437
805.7151@1.0787134	1	14061	27229	42564	19842	1	1	1	60327	1	1	8587	22966	12433	1	1	1	5632	1	3618	1	1	5030	11281	25927	39435	1	1	1	1	1	8864	1	11353	1	3158	1
C27 H52 Cl N2 O S	51783	31655	37575	23512	36675	1	49883	1	47039	1	49754	70131	102514	47585	51914	51644	63120	48842	31078	40990	59380	61627	32242	1	66492	1	79050	79907	46645	1	46905	1	58557	1	51196	88457	1
C37 H75 N2 S3	1	23098	34985	1	37965	41700	40752	37929	23748	1	1	1	37014	22875	35156	26147	1	1	1	1	36678	25556	30668	1	1	41697	1	25182	13415	1	22470	26224	19762	1	17982	1	1
593.1528@1.0811629	1	1	4004	25246	1	1	1	1	59273	1	1	1	1	1	1	1	1	1	1	1	1	1	5421	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H35 N4 O4 S4	6580	7881	4442	6700	6665	7279	8897	1	7014	8274	4445	3069	3952	7622	17272	7623	5223	7959	5398	1	4212	2229	6847	4049	6775	6292	8999	8169	4356	1	13616	4987	5670	12413	8646	8006	13874
190.0997@1.1583173	1	1	14033	1	1	1	7000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24134	1	1	1	1	1	1	1	1	1	1	1
515.3459@1.0834107	1	1	43446	45811	1	1	1	53869	1	1	22008	1	25790	1	40096	1	1	1	34956	1	1	45920	1	1	23240	25531	1	1	1	1	1	1	1	23441	1	53062	1
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol	362265	10187	127402	43519	161726	23862	83608	93927	1	14121	43990	13474	111110	32333	76633	1	39685	31209	36809	21719	22414	104745	27923	28208	32413	100357	85934	17197	1	1	26721	25289	8939	35226	41788	57274	29416
Ricinoleic acid	176344	38355	171998	63307	131283	58430	89895	73314	1	1	61100	1	38809	70259	61232	47994	45545	51600	50398	58666	63963	73761	1	1	31254	43845	80273	40415	32473	1	49116	24905	1	49010	113296	104845	27742
C24 H48 Cl N9 O	287031	31713	78221	1	61386	32971	198076	60051	1	35584	1	1	43622	35143	69009	53410	49880	29831	40791	34115	1	56118	39669	27236	41746	67280	172489	69356	29793	1	33885	27595	40264	43570	42219	14199	1
330.1398@1.119388	1	5184	5579	1	1	1	1	1	6027	1	1	1	1	1	1	1	17921	1	1	1	1	1	1	1	3202	1	1	1	1	1	1	1	1	1	1	1	19805
499.3509@1.0849916	147546	1	67279	1	1	41419	79767	1	33293	1	1	34512	1	1	1	44693	27043	1	1	1	1	1	1	1	71954	1	1	25892	1	1	1	39757	38646	30649	22551	57536	1
162.1043@1.0818952	1	1	82144	1	1	1	1	1	1	1	1	1	62463	1	1	1	1	1	1	1	1	44914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.4078@1.0848854	1	1	16069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
837.4965@1.0873206	1	1	2152	5548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
304.2022@1.083	1	1	11673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
637.4549@1.0833167	1	1	41470	1	1	1	1	11362	1	1	18534	1	1	1	14608	11557	9208	9356	1	1	1	11264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11029
C29 H60 N5 O5	1	19873	44870	1	1	1	1	1	51971	1	1	1	21335	14275	1	16166	1	16730	15787	18519	69569	10496	20081	1	1	1	1	1	1	1	1	1	1	10890	18087	1	1
Cholestenone	88351	22707	82412	183498	147154	125855	131304	83675	128284	31409	74231	19487	48905	56031	83952	50812	94727	96864	91240	31853	21472	46904	69466	9479	152182	86028	120581	19293	1	1	27703	16777	6691	43848	1	82178	124699
C23 H39 N5 O2	90463	83847	114677	89947	104940	117158	117151	97383	92414	78944	97527	121296	114569	77064	102160	93498	85349	1	85216	82074	125489	103088	96472	83549	125573	118587	104023	130603	100369	1	72932	96536	101939	118142	106696	113531	104033
C39 H77 N S4	1	13000	32267	1	49404	18987	15509	1	61837	35613	23709	21781	1	46722	1	23058	48177	15876	24070	1	1	28801	30432	16979	65142	35422	22750	29634	16555	1	40616	13124	1	20646	16620	39321	1
422.2676@1.0868397	1	1	42587	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12301	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
326.224@1.0894561	1	1	59278	1	1	1	1	1	1	1	1	48798	1	1	1	1	1	1	1	10834	86400	1	1	1	1	1	1	1	1	1	1	23737	18402	1	1	1	1
C36 H66 O6	74231	1	105479	42433	94067	1	1	10735	82965	1	109342	28908	1	57893	62205	1	80247	1	106657	59655	99087	56101	5332	72116	42788	18835	1	1	1	1	68891	54140	59946	63920	1	1	1
446.3002@1.0842975	1	1	13498	1	13486	1	1	12566	1	1	1	11351	16570	1	1	9835	9142	11781	1	6720	1	1	1	1	11283	1	11066	5022	1	1	10092	1	1	1	7249	15637	1
C27 H44 + 1.0822563	170443	141538	241052	659622	326242	161044	213546	113283	132798	118002	113967	121006	166758	148941	143406	151054	136992	164351	138020	108544	133057	104491	123382	124314	189020	148288	133655	108750	102396	587283	120361	130900	86873	151322	116738	144805	126078
690.6149@1.0812774	1	1	31265	1	1	1	1	1	32560	1	1	1	1	17878	1	1	21535	1	1	23574	24170	1	1	1	1	1	1	25848	1	1	24474	24716	1	20484	1	1	1
409.3221@1.0883002	1	1	85143	27495	17611	1	14384	1	1	1	1	1	11797	46913	1	1	1	1	48244	1	1	1	1	1	1	1	1	1	61739	1	1	1	1	1	1	74276	1
82.042@1.085	1	1	28714	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
489.3671@1.0868443	77816	1	20923	76177	1	1	1	1	56027	1	1	1	1	42006	1	1	1	1	1	1	1	1	1	1	89738	1	1	1	1	1	1	1	1	38936	1	1	1
Vernolic acid	670971	113160	352643	117293	391460	1	401884	312267	137734	425419	415307	185898	525174	240137	263395	261251	252848	225117	240424	316476	403226	190879	245152	263758	384357	210051	540159	338171	586074	1	244602	178808	114869	172080	412884	382023	230448
222.981@1.0879354	1	1	59862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49947	1	1	1
436.3549@1.0818412	1	1	9662	1	1	1	1	1	1	10094	10337	12392	1	18560	1	11767	1	1	1	9620	13318	1	1	1	17013	16260	14575	1	15096	1	15817	11218	5207	1	1	1	1
590.4517@1.0945187	17368	24965	22004	1	1	30549	19923	1	1	1	31635	1	1	1	1	17391	1	19770	1	40983	27040	11742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
306.2175@1.0970056	15971	1	15595	15035	1	1	1	1	1	1	1	1	1	1	12948	1	1	1	17528	1	1	1	1	19922	15881	23809	1	8694	1	1	1	8700	1	1	1	1	1
182.1306@1.1034912	21556	1	58166	1	84816	1	1	1	18410	1	1	1	73389	1	58748	1	1	13081	1	1	1	63303	1	1	48845	1	77465	16738	50706	1	1	1	1	1	1	12389	1
413.2779@1.0877229	83654	1	59505	1	1	1	116585	44708	1	1	22393	1	42574	24069	31833	1	1	32150	1	1	1	39722	1	1	1	1	18042	1	1	1	1	1	1	1	30023	70307	32784
438.2984@1.0905037	1	1	23500	1	1	1	1	1	1	1	1	1	1	1	52986	1	1	1	1	36368	1	1	1	1	1	1	1	1	1	1	1	1	7611	1	1	1	1
603.4613@1.0743474	1	1	49878	1	1	1	1	1	1	12127	1	1	23366	1	1	1	14343	33627	1	1	1	1	16354	1	1	1	1	1	1	1	1	1	1	1	1	35045	28983
364.1968@1.0879557	1	1	42606	1	1	1	1	1	1	1	1	1	49189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
487.1573@1.087	1	1	16514	1	1	1	1	1	1	1	1	1	1	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-Dodecenoic acid	25954	1	23205	1	1	11550	8393	1	1	9512	1	16158	1	1	17925	10413	1	1	8542	20809	33356	1	10997	20055	5555	14532	1	1	1	1	6937	1	1	1	17848	13735	18469
666.6141@1.0868014	1	1	14205	1	1	22227	1	1	15018	9716	1	1	1	1	2675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11369	1	1	1	1	1
351.2423@1.0813283	1	1	35913	1	16903	1	1	1	1	1	1	1	1	1	1	1	1	1	4940	1	1	1	1	4538	1	1	1	1	1	1	1	1	1	1	1	1	1
136.0883@1.1034302	32504	1	42693	1	1	1	1	1	1	1	1	1	26731	1	1	1	1	15175	1	1	1	23836	1	1	1	1	22615	1	1	1	1	1	1	1	1	1	1
395.2674@1.1694297	1	1	11352	1	1	1	1	1	1	1	1	1	1	1	1	21035	1	1	1	1	1	1	1	1	1	16607	1	1	1	1	1	1	1	1	1	1	1
463.2433@1.0897983	1	1	7237	1	1	1	1	9016	1	1	5236	1	14168	4468	1	1	1	11198	1	4195	6113	1	1	1	7407	1	1	1	1	1	1	1	1	7398	7438	1	1
859.7609@1.0864378	1	1	12706	14911	1	1	1	1	1	3602	1	1	1	2058	1	1	1	1	1	1	1	1	1	1	1	7365	1	1	1	1	1	3338	1	1	1	1	1
82.078@1.1239336	1	60914	17701	1	1	80351	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85090	1	1	12333
230.2024@1.089	1	1	2395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
138.1042@1.1234843	216488	1	115353	1	1	27725	1	38704	1	1	1	1	1	1	39857	1	1	1	1	1	1	20065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
774.6298@1.090663	10536	3896	13133	1	1	1	14381	16919	17160	1	1	1	12771	1	13027	14477	1	16208	1	1	11885	1	1	16825	12007	14305	1	15983	1	1	1	14171	1	19085	14445	14307	13515
250.2273@1.088948	20384	1	6144	1	7357	1	3418	6259	1	1	1	1	4383	1	4929	7324	1	3198	1	1	1	3747	1	1	1	7423	5511	1	1	1	6058	1	1	1	1	1	1
480.3097@1.0963318	22498	1	74067	19202	1	1	1	1	1	1	1	1	1	1	1	1	1	59411	49508	1	1	1	1	1	27886	1	17169	1	1	1	1	1	61631	1	1	23950	1
C43 H85 S2	1	55351	20137	33624	1	29808	16934	1	1	14664	25614	24286	21110	25119	1	21623	24840	26138	11462	26194	19971	7832	19159	18246	8269	1	1	27267	7494	1	27241	1	13519	23676	18196	1	10641
300.2086@1.1117837	1	1	84142	1	1	1	25252	1	1	1	1	63287	34136	1	1	1	1	9955	1	1	54291	1	1	1	1	45585	1	1	1	1	1	1	1	1	17403	1	1
178.1357@1.1062034	68581	1	43549	1	25376	15981	1	1	1	1	1	1	23792	1	22834	1	1	1	1	1	1	1	1	1	1	1	1	1	10064	1	1	1	1	11515	1	19439	1
C24 H29 N2 S	1	9260	20610	1	1	25224	1	1	22504	20393	16837	24644	1	1	19231	22129	6417	19094	1	20631	6547	12344	1	12645	13277	20110	15260	21240	24528	1	14685	20807	22113	17430	21904	11813	16229
302.2241@1.0925554	46215	34495	96249	1	1	1	1	1	62551	49243	32635	140338	1	1	1	1	1	23464	1	1	197484	1	1	62219	1	1	45453	43775	81570	1	1	1	119814	1	1	1	1
C35 H61 N8 O5	675639	1	61629	74330	56250	1	151440	191626	48475	31962	1	1	46833	17560	211756	20610	27255	102076	84938	13707	1	46036	27978	1	1	103698	64088	13704	27974	1	25637	1	1	16167	18884	121301	110072
C23 H29 O5	73649	101479	87321	89900	66333	1	68409	42065	103727	96465	64197	95986	1	90036	85241	1	69658	70265	55885	67133	88510	71624	1	73817	1	81167	66887	65299	63276	1	95549	60928	1	1	1	1	1
276.2087@1.0942816	1	1	314131	174259	1	1	1	1	1	1	1	80927	1	1	1	1	1	1	1	83544	1	1	1	1	1	1	356656	1	158565	1	92364	1	20537	1	1	1	330331
94.0782@1.092	1	1	24069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H20 O4	16654	67709	26194	49342	28068	83220	1	40140	61380	107022	97576	62316	102492	46764	66349	65927	86823	68855	63787	78680	88134	56186	70483	99120	66310	80387	88367	95064	86708	1	99186	52060	76682	46874	41780	1	54311
521.1469@1.0963829	1	1	4589	1	1	1	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	1	1
12,13S-epoxy-9Z,11-octadecadienoic acid	6357281	109735	1326161	676217	2501110	142319	1708689	1953301	88206	249514	960707	285191	1598697	678188	2504967	803507	830217	1297562	1577597	322948	297545	2120646	458419	158044	889937	2061895	1555510	129434	604155	112935	280617	202834	87574	401321	370573	1456760	1336538
C44 H83 N O3	1	29537	52104	48410	24268	31066	1	1	49654	1	1	1	27312	14992	1	59995	39461	114836	24869	34542	19573	18717	21684	1	24722	1	15315	28124	15977	1	33735	19196	19377	13367	1	1	1
C25 H54 Cl2 N3	56291	17879	27712	19146	41641	23613	57561	38527	23856	51749	23432	24087	26036	24080	27982	27980	24829	24722	29745	31765	33043	18107	20944	31105	31745	1	31981	1	1	1	22991	1	16175	1	38416	65551	1
C19 H39 N O S2	2101017	1	375700	212976	268094	23787	802444	889929	17043	50809	220562	82014	243730	127465	721968	213021	104705	673342	389592	99273	9595	433986	138929	1	177506	398527	479429	1	174122	1	64037	1	22046	91671	87393	755528	712947
C21 H47 N4 O3	1	1	40051	1	42922	33513	26528	9684	22857	1	25751	1	22144	31857	13187	1	22446	16334	15561	20594	1	11382	27045	1	15123	1	23054	1	1	1	1	1	1	21048	1	21574	1
445.2677@1.0907878	76636	1	52118	1	1	1	89773	33915	1	1	9658	1	1	9603	1	1	1	30185	1	1	1	1	1	1	1	1	10426	1	20981	1	6503	1	1	8049	1	1	30327
gamma-Nonalactone	149131	1	17595	61479	25626	1	24676	13912	1	1	1	1	15456	10469	41850	11385	8682	8266	36731	1	1	27384	1	1	11874	1	1	4694	1	1	1	1	1	1	1	44307	11248
4,7,10,13-Hexadecatetraenoic acid	13636	1	32323	1	59589	30020	1	22560	1	1	1	27707	1	27991	39899	1	1	1	32464	22574	1	26894	27558	30714	1	1	1	19380	35930	1	1	1	18846	25728	1	1	28436
825.483@1.1123317	1	1	9762	1	2039	1	1	1	1	1	1	1	1	1	2316	1	1	1	1	1	1	1	1	1	2535	1	1	1	1	1	1	1	1	1	1	1	1
833.746@1.0908495	1	1	7036	19048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6382	1	4743	1	1	1	11647	21160	3418	1	1	1	1	3519	1	1	1	1	1
C32 H52 S	59699	68947	76951	1	78168	46669	43463	41970	71961	89554	51330	82510	66245	59323	29840	34958	61700	56127	59608	69449	89472	60042	60374	73125	26943	1	24834	35928	68746	1	42438	1	49483	48144	1	60909	27436
192.115@1.1252834	1	1	30555	1	1	1	1	1	1	1	9521	1	1	1	1	1	9721	1	1	1	1	23458	1	20580	1	1	1	1	5846	1	1	1	1	1	1	31152	21346
Okanin 4''-(4''''-acetyl-6''''-p-coumarylglucoside)	1	30088	8847	1	13894	22984	1	1	20904	29775	33646	1	1	1	7215	12777	14965	11562	9944	1	1	1	8592	1	1	1	1	14397	1	1	15005	1	1	7809	1	1	1
7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid	1754350	1	462793	128088	549438	1	141881	380041	1	91327	428828	186868	432759	195245	652051	188235	389047	235671	580096	121161	49862	775359	124639	107038	235735	586284	514787	106969	199493	25493	65063	90454	37604	116040	64903	150652	294417
692.6472@1.0942184	1	1	5235	1	1	1	1	1	1	1	1	1	1	1	1	1	5203	1	1	2809	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
562.4037@1.128833	36426	1	17388	1	1	1	1	1	1	1	7490	1	1	1	1	14883	1	1	1	1	1	1	1	20013	1	1	1	1	1	1	1	1	1	1	1	1	1
411.2617@1.0940025	47520	1	216401	1	76354	1	109747	1	1	1	49936	32272	88901	22977	1	25217	1	41693	1	18539	1	99536	33238	1	1	1	1	1	51617	1	24372	1	1	41429	21992	46564	68353
663.6161@1.0984019	1	1	8229	1	26283	1	1	32038	29182	1	1	30872	17447	1	1	5776	1	4684	1	1	1	1	1	1	22940	41938	1	17756	1	1	1	1	1	1	6740	21918	19649
4-oxo-9Z,11E,13E-octadecatrienoic acid	1	38929	271261	156473	335017	29084	214689	284444	37984	54034	1	1	315616	124322	108942	131132	1	184415	1	79510	62026	1	94803	51817	255626	1	352244	1	124231	23445	81048	48175	27245	95839	78355	207357	229103
781.5278@1.1011045	1	1	9231	1	1	8500	1	1	7256	10542	7889	7816	6755	9754	1	1	1	6236	1	4846	1	3861	1	6826	1	1	1	1	3466	1	7954	5196	4864	7053	1	1	1
78.0464@1.099	1	1	5142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C41 H86 Cl N2 O4	1	1	10147	1	1	7218	1	9506	8564	1	1	9792	7498	1	1	31661	1	30286	6713	1	7624	1	6552	1	1	50769	1	1	1	25394	1	1	5460	1	1	63141	4955
469.2702@1.1	1	1	28786	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
MG(0:0/22:2(13Z,16Z)/0:0)	11825	18691	61243	1	21334	19925	21573	14804	27565	20412	21137	1	15736	24099	10992	1	21714	14084	12818	21473	23629	10548	27934	30138	23602	17538	13804	15737	14572	1	14813	15438	15758	23441	13817	1	1
C19 H39 N S2	805938	1	281781	98597	300939	19748	247075	282686	1	1	75550	39268	180089	86683	326572	99691	84799	203552	245673	66635	1	261331	74736	23172	122697	244610	236518	1	90770	1	43308	1	1	56455	40897	198268	209217
619.479@1.0976723	1	1	15418	1	1	1	1	1	1	1	1	6977	1	23496	6294	23805	25454	29257	21246	1	1	1	34003	1	1	1	10751	1	18921	1	1	19812	1	1	16704	5474	1
DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)	159167	159030	156971	276416	127637	205705	173724	178992	215646	182107	166693	175666	219994	223103	159534	211901	190555	136546	213425	154831	192580	144493	231426	266698	214313	192648	174495	186755	206775	1	190248	244068	218729	222723	212718	189676	188250
560.1307@1.111954	1	9010	4209	1	5976	5977	1	1	7291	1	4969	1	1	4337	3899	1	2648	1	1	1	1	1	2814	1	7769	1	1	4963	1	1	1	1	1	7024	1	1	1
C34 H50 N6 O6 S	28482	24410	37219	51765	44815	7794	4877	1	43158	60048	11318	40601	18651	63233	24699	1	14059	15267	23843	29947	18850	40397	11921	12131	30064	40880	1	11289	7156	1	44395	18569	7056	5075	4697	4981	6836
723.6059@1.0922968	7554	27303	201759	42554	1	29377	187944	1	30061	1	203504	1	1	37273	1	206315	1	1	1	1	202831	1	202907	1	3743	4537	1	30211	192255	1	1	1	34461	1	1	1	1
C35 H77 N14 O3	660797	1588970	1135575	1302388	910567	1306614	1088407	768012	1299775	1083827	1116424	1066649	1282164	1283618	856902	1203765	1258743	856688	910542	1111972	1212577	762305	1199698	1337151	1196128	1012220	1106476	1199538	1055362	1	1269754	1270359	1199178	1168158	1124657	1010395	1017968
MG(18:0/0:0/0:0)	1046898	3248425	3653850	1430107	3943007	2707939	2729613	928083	1997722	1388810	2019210	1959542	1929993	1976706	1250987	2100158	1952267	1546949	1296188	1573128	2111263	1031361	1966249	2171943	1761644	1745214	2017994	1800815	1747146	1	2215321	1736902	1914392	1843572	1481772	1737521	1846361
C18 H34 O	17644	76308	73091	25051	82672	52748	51183	15464	37243	26494	39514	31895	32455	34594	20076	35310	34046	30190	24978	26004	41609	18896	37324	36725	32056	23065	29181	32094	27073	1	45186	28970	29122	33464	29379	31756	37263
494.2576@1.1052226	1	1	18651	1	12433	14741	11406	1	14540	7603	1	1	11674	10630	5347	11521	10914	1	4593	1	11170	1	7682	13634	1	7265	6631	9033	13887	1	7781	11750	13263	1	9722	9542	1
675.3076@1.1037425	3162	1	5229	4532	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
739.6113@1.09993	45229	54858	89341	36513	1	60024	1	1	46622	1	69883	39044	1	1	41182	1	1	1	31684	56990	1	1	1	1	1	1	1	48220	1	19279	49167	38347	1	1	37441	33672	48564
C32 H37 N S2	6262	11598	27934	18640	21258	23251	20816	12187	20870	18680	17414	21201	23944	19476	12758	17397	17316	12881	14558	11301	20971	10950	16379	22136	14083	13742	17940	19575	16530	1	20861	17187	20702	16661	14424	16159	15896
397.2466@1.1333699	1	1	26033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C33 H31 N5 O	7366	4320	17603	12438	14702	14885	13843	1	10565	9697	11006	10729	16134	11528	11794	12368	13517	1	1	7042	12751	7328	10052	15494	10173	11054	9958	8729	12987	1	12328	9001	13125	12349	11215	9651	8473
356.2905@1.1052545	1	54319	163186	1	72244	1	1	1	1	37678	34324	1	1	1	1	1	1	1	1	31607	1	1	1	1	1	1	1	40342	1	1	1	1	1	1	1	1	1
417.2356@1.1166131	177389	1	383220	1	1	1	197065	183201	1	1	70819	1	1	31143	70891	60530	22590	161503	1	1	1	98861	1	1	1	17050	62499	1	1	1	33738	1	1	97349	129918	317677	175487
738.602@1.1154525	34113	50788	64276	1	66867	1	1	1	1	1	57847	1	1	1	1	1	1	1	1	43678	1	1	1	1	1	10646	1	48700	1	1	1	1	1	1	1	1	1
1107.9235@1.1042902	1	14719	6539	9598	3998	9920	6948	1	10700	8058	7935	7688	9950	9118	5691	7145	8729	4567	5677	9181	11310	1	9330	12537	6540	6912	7096	10522	9700	1	10644	10919	9663	7645	9897	6836	5919
C38 H73 N O3	2233	9027	8828	15339	7779	4976	8904	1	1	11821	8040	1	1	3858	1	9787	10224	12934	8153	4340	12827	1	9305	9310	1	1	1	3727	1	2274	8083	6870	1	5614	1	1	9048
421.3037@1.1157502	1	1	28130	27246	70383	47894	44178	18200	1	31835	41607	33588	14921	23019	42298	43451	11835	42760	20531	1	15636	10191	57179	44544	1	1	5990	1	16049	1	55381	44836	1	1	1	1	1
C21 H29 N8 O	1	1	667240	1	239559	38194	250431	1	1	64459	128253	155445	188996	95723	1	157727	109539	114032	47133	79450	1	283392	110755	1	1	1	1	1	119995	1	92876	1	1	150728	104669	138796	171383
Loxtidine	684048	1	292270	54489	161083	1	332101	255967	1	1	126988	60354	98508	65715	197491	98720	1	246127	1	55327	5273	214961	83191	1	78789	148109	133830	1	73328	1	47397	1	1	64125	56476	323241	298939
C48 H85 N S	1	1	30505	12745	1	1	1	17936	12959	17596	12054	49467	8836	2052	20647	16504	10530	24317	8271	11283	5095	3680	7076	13611	7549	62153	1	7797	1	1	10024	7099	1	5561	18675	1	19014
899.7922@1.1121328	1	39297	50043	64354	53132	30139	1	1	1	1	1	26435	1	1	1	12308	1	11947	14665	1	1	1	21505	1	1	1	1	1	1	1	18969	1	1	6297	3189	1	1
783.5286@1.11	1	1	4357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
493.2517@1.11	1	1	109109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Loxtidine + 1.1110786	15161	10072	27544	1	31929	17605	1	1	10093	20082	22002	13481	1	1	1	14106	1	7603	1	12815	1	12997	11031	1	3677	1	1	11033	13582	1	1	7157	5676	1	1	1	1
Buspirone	361206	337824	447832	140322	251555	34334	1	222382	97407	274520	1	129743	71563	229606	1	1	1	235498	129341	147812	48276	293032	85892	55590	114709	138410	1	19869	173719	1	108739	1	76545	1	147061	559339	224092
C39 H82 Cl N2 O2	7173	20259	43224	19348	28625	13672	15215	1	27350	26509	23719	1	1	12083	16399	26588	20322	30728	13818	17815	15887	22757	13032	22304	1	1	11000	1	33640	1	18392	13073	1	26522	20122	22829	1
597.4253@1.0773528	1	1	8800	1	1	1	78600	1	1	1	42392	1	1	1	30960	1	1	1	1	1	1	26943	1	1	1	1	1	7120	1	18547	1	1	1	1	20106	32876	1
737.5987@1.111754	21689	52610	44305	13073	46513	50972	27202	11372	35327	207042	68278	41057	11086	1	24031	35206	18405	16872	19089	48995	17069	119167	35768	24162	12982	1	1	40729	28832	1	1	30004	1	29922	1	20236	29071
581.4325@1.105068	1	13442	16508	1	1	35261	1	1	1	1	1	10870	1	1	1	1	1	9346	1	1	1	1	1	1	15994	1	10051	286225	1	1	33459	1	1	1	1	1	1
336.2647@1.0958407	1	1	16048	1	15573	1	1	1	1	1	1	1	1	1	1	1	8270	9017	1	1	9445	1	1	1	1	1	1	1	1	1	6767	1	2267	1	1	1	6358
C21 H41 N O4	1	37601	46910	17039	1	34748	23452	1	22754	37540	47170	23423	1	1	1	27668	1	1	1	30932	21952	1	1	1	16329	1	1	1	25687	1	27256	1	1	14952	1	1	1
461.2616@1.1596166	1	1	131929	1	1	1	1	1	1	1	1	11735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23335	1	1
Strictosidine aglycone	46936	51163	63779	54424	45544	39561	40114	32130	53849	44008	41617	43339	114276	50112	58203	43829	40670	50398	36083	38610	43944	42356	98306	39835	50016	58679	36760	38500	40797	1	53911	34658	1	11722	1	1	1
727.6022@1.1169428	1	1	14936	1	13637	18171	1	1	1	20437	11270	1	15658	1	11788	1	13866	1	1	16504	1	1	1	20472	1	1	1	1	1	1	1	14909	1	1	1	1	18067
461.3355@1.1112067	1	1	25841	64841	45485	1	1	56007	42122	1	16341	1	42029	1	45856	1	20921	1	1	1	38336	1	35997	1	90063	1	26793	29876	1	1	1	1	1	30918	1	36714	1
643.5898@1.1208527	1	1	5955	6014	1	4890	3204	1	4294	1	1	5254	1	1	1	1	1	6408	1	1	1	1	1	1	2170	1	1	1	1	1	1	1	1	1	1	5361	3571
615.5838@1.119617	1	1	41655	1	4046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H13 N O7 S + 1.1103886	2534	58561	16793	10428	8801	22851	7590	1	28892	21681	26445	1	7023	9879	4128	7301	20460	3629	4125	22452	8110	7117	1	5014	1	8833	7564	18947	1	1	10936	1	1	7974	1	1	4718
Ferimzone	88528	22979	34495	42239	41898	50699	1	1	20753	67239	13466	60763	24616	56227	1	1	40523	22523	1	20048	1	43390	1	40405	1	1	56056	27880	73770	1	67408	55787	36008	31072	64251	1	1
4-Dodecylphenol	18676	18555	36044	6271	47953	23713	18787	1	15414	28912	33998	21201	1	5364	16751	18788	1	59105	8090	1	16929	1	15326	1	10423	1	1	18835	31523	1	18413	1	30122	1	1	52161	26944
MG(0:0/20:2(11Z,14Z)/0:0)	1	34759	44083	1	1	40493	1	1	40227	24051	24518	1	29371	26463	1	37295	1	1	8569	17789	29712	1	39336	33602	1	1	1	20673	32279	1	45142	23995	38226	27870	25146	1	1
Jasmonic acid	113299	89597	73819	26033	76664	258952	94926	47260	33788	1	1	106814	34575	45360	52857	78198	48899	32320	57925	1	58212	35337	1	98020	92258	41957	74905	1	1	33454	38543	1	41154	1	1	1	36343
C17 H39 N4 O3	34820	1	68780	34812	51912	18785	40707	22763	1	14389	35939	14750	34814	45255	28879	1	28584	1	15208	1	1	27817	1	1	25130	1	1	12256	8184	1	1	1	1	14616	46915	30073	1
222.1618@1.1149958	53317	57177	62272	1	61379	73794	55423	35920	60930	50046	41187	68610	62687	34315	46798	39767	46699	31609	41580	60502	80038	1	56510	1	30430	1	1	50958	70415	1	49622	40734	53889	60361	49814	45107	41178
452.3131@1.1725311	1	1	61627	1	13885	1	1	1	1	51501	1	1	1	1	1	1	33205	1	1	1	1	1	1	1	1	1	1	1	1	3217	1	1	1	1	1	1	1
C27 H47 N S	1	22486	33455	22418	30883	23839	28857	1	1	1	1	21383	21375	17547	17429	16851	19190	1	1	1	1	15720	17547	19472	1	1	27484	1	18212	1	22234	15506	15361	20885	1	1	18049
383.2302@1.1107485	1	1	163843	1	67877	1	1	1	1	1	45579	38168	50680	1	31399	1	1	49415	32251	1	1	69722	42305	1	1	1	22072	1	29636	1	1	1	1	48006	1	1	61928
441.2361@1.1236916	1	1	569265	1	103504	22839	114255	25897	1	24547	108315	140116	45740	1	70440	1	1	65021	1	1	1	183103	77436	1	1	1	1	1	1	1	1	1	1	92506	52485	128240	136948
775.5521@1.0943054	4564	1	4516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
238.2292@1.1164654	17955	1	6287	1	19050	1	19506	1	1	21617	21953	1	24485	1	23120	16565	15345	1	1	1	1	16869	1	3756	23449	23618	18290	21845	1	1	1	1	1	21136	21514	17525	1
C28 H57 N8 O	1	11507	15855	14051	1	10413	7270	11293	38708	7404	6419	3828	4099	23992	3321	10107	7219	6380	5740	8667	7960	6813	12112	5637	7946	1	9505	6640	6243	1	5053	8904	1	7397	6957	22098	1
C40 H81 N4 O4 S	207770	533336	367419	29244	254265	401803	332405	257738	444496	376087	343499	1	391941	400745	278726	357832	384460	291336	295955	346877	368405	245809	1	404384	384032	320124	6754	391774	8990	1	393818	415121	361045	398139	384124	324365	300757
346.2083@1.122271	88916	1	10560	1	20323	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
601.5781@1.1201752	1	1	7293	1	1	1	1	3446	1	1	1	3864	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5086	1
C39 H79 Cl N7 O2	31870	78669	53671	58941	42098	1	48733	1	70001	54849	50393	51676	56542	59000	38281	51799	55985	39152	43780	52699	57199	35235	1	64432	52614	42924	46795	60242	52934	1	62025	60319	1	58382	58842	47464	46796
422.3067@1.1120433	1	1	13202	1	1	1	1	11763	1	1	1	1	17968	43060	1	1	8843	1	11441	19257	1	1	30021	1	13616	1	1	1	1	1	1	1	9157	14255	1	1	1
679.609@1.1161505	1	1	19691	1	1	1	1	12655	1	5743	1	18436	1	1	1	12808	8065	4897	1	1	1	1	1	1	1	22018	7315	1	1	1	7435	1	1	1	8044	7533	1
543.3819@1.1239438	47451	1	22787	1	1	48001	1	1	1	1	1	1	17140	1	1	1	1	1	1	1	18640	1	1	1	1	59059	1	1	6160	1	1	1	1	21636	1	1	23127
711.461@1.1206167	1	1	23670	1	8355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
795.502@1.1056448	1	1	8655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4668	1	1	1	1	1	1	1885	1	1	1	1	1	1	1	1	1	1	1
847.7628@1.1109972	10361	1	50682	98345	50648	22697	1	1	126649	1	15111	14875	11328	11465	1	11156	1	1	12961	1	16030	59205	19430	1	20070	1	1	1	7700	1	1	15468	1	3447	1	1	6401
678.5611@1.116564	12541	10583	11962	20222	1	12112	9557	7218	11004	1	1	7441	8418	10689	9060	8484	8420	7222	1	1	8397	1	1	7834	10646	5737	9374	8949	1	1	8433	7351	9622	8793	8684	1	6866
633.6014@1.120831	1	1	22756	2475	11374	7219	1	1	1	1	9411	1	1	1	1	1	1	3175	1	1	1	1	1	4702	2974	1	1	1	1	1	1	1	1	4123	1	1	1
627.5949@1.1180421	1	2599	26778	1	15391	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2892	1	1	1	1	1	1
C44 H75 N3 O4	22760	36879	48134	1	43572	59012	15498	16729	21570	57378	47959	34600	5212	1	7230	33229	20236	23032	7037	38807	9728	33056	13042	19658	4770	8007	1	39068	27274	1	34532	27037	6662	44691	20551	10824	36700
C16 H25 Cl N	120574	50246	97849	119913	42154	44222	138182	153332	50116	67250	55856	1	1	253922	1	39950	1	109744	105274	41087	50835	47593	35755	40695	59015	116614	46407	52737	46309	1	48846	62201	56761	46527	144360	276953	58972
DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	48514	66589	45204	17085	42811	55174	48165	58638	59393	60829	45737	1	63781	66441	47013	58903	60395	46402	67816	50873	60172	1	1	72159	71951	57535	56601	60471	64803	1	59801	69692	65262	67494	68419	54788	50719
Aminopentol	1	5496	14959	15966	1	1	1	1	12806	9224	1	8505	1	6000	1	8517	8763	1	1	11577	1	1	14486	11318	1	8188	12873	5724	8884	1	1	1	1	8013	7736	1	1
350.2091@1.1141026	229633	1	165343	75130	328245	1	109609	155578	1	1	1	1	148193	68797	110117	1	79898	1	57562	1	1	167179	1	1	52444	1	109013	1	1	31088	1	1	1	1	1	1	1
451.2883@1.1219544	1	1	7156	1	7282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3564	1	1
24,25-epoxy-cholesterol	30185	128767	172052	192584	485469	74592	239451	215030	82340	67859	147028	80231	119909	152471	130288	141517	151699	214751	267248	80947	44966	98530	136193	63629	699821	478880	596873	73555	26928	1	8438	52640	69895	75671	67989	165068	158345
620.5938@1.1193519	1	1	17039	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5078	1	1	1	1	1	1	1	1	1
MG(0:0/16:0/0:0)	1	128400	147605	4949	1	130016	13921	1	108598	74056	5002	108047	5962	1	1	219472	1	61899	60876	79642	139750	1	92140	131220	10087	4289	1	104268	122358	10733	105770	119961	1	106316	76399	92866	84890
625.5638@1.1231477	1	1	9070	11796	1	1	1	1	1	1	1	26879	1	1	1	9828	7513	5682	1	1	1	1	1	1	1	14997	1	2981	1	1	1	1	1	1	8215	1	1
377.256@1.1204244	1	13764	61566	30768	149700	1	1	1	1	18635	1	65430	89850	1	1	51445	47198	1	1	1	1	110065	1	1	1	1	1	17415	69256	1	1	1	16890	43337	16815	1	1
621.4787@1.1255745	1	5516	5793	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ceramide (d18:1/24:1(15Z))	11761	46061	94386	47073	48116	26902	16707	13519	33906	22424	39521	28299	18126	14298	12220	19557	19458	25286	21083	26406	14642	1	20919	24437	18062	27181	22433	19417	1	1	29559	19243	1	1	14139	20148	13438
652.5789@1.123	1	1	2716	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
218.0885@1.1225598	1	1	19258	1	1	25251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C51 H72 Cl N	1	8569	5281	1	30062	1	15127	7066	7625	1	1	20912	9216	11087	9950	15803	24133	8323	3479	6085	1	5248	14658	1	7430	9035	1	7569	5990	1	1	10140	1	17421	1	9326	20501
C36 H75 Cl2 N10	9544	1	8243	12557	1	9424	1	1	12555	13364	1	1	10736	13026	1	1	1	7641	11524	8680	8934	1	12014	12834	1	1	8558	10175	11347	1	11576	11387	1	11749	11612	1	8798
762.4752@1.123	1	1	4739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
617.414@1.1261764	36606	1	10280	42937	1	1	1	1	30446	1	1	7816	20339	14564	1	7982	9893	1	1	1	1	8819	1	8713	54566	16257	1	1	1	1	6934	1	1	5578	1	1	9847
376.2245@1.1274241	1	1	147381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	240428	1	1	1	88733	1	1	9716	1	1	1	1	1	1	1	76176
553.4546@1.1145568	1	1	27732	129045	17043	1	1	1	1	35691	1	18086	1	1	1	1	1	1	1	1	1	1	1	1	17847	20802	1	1	1	12312	34760	1	1	1	1	1	1
873.7769@1.1131074	18223	106429	155368	272383	171269	73016	20297	1	225958	1	1	124976	1	1	6402	40960	1	1	28733	1	41292	1	36774	1	1	30584	8607	37414	30421	1	54576	42660	42012	22203	16278	1	1
520.4125@1.1267763	1	29339	39891	1	48074	55023	36202	20407	1	1	24941	47032	34575	20220	1	1	3310	1	29859	1	46012	1	1	54694	1	1	1	1	1	1	1	26399	1	27228	58587	36318	1
C39 H58 Cl N5	1	1	10468	50797	23096	11378	1	18489	40735	16034	15459	14835	12570	12707	1	1	12404	1	21885	19392	1	1	13640	7344	70407	24279	18254	1	12289	1	13262	1	1	1	6832	31086	1
Chaulmoogric acid	192012	59644	29905	51793	220615	106975	41775	136656	80750	102529	70555	31666	194697	111607	101056	80218	92185	59696	91376	125696	110312	110460	48439	72366	33730	116932	42027	1	93392	1	29683	100885	70639	30298	128205	187975	25567
290.1877@1.1252927	118655	1	51843	1	107333	1	46920	53015	1	1	1	1	1	1	1	1	20855	31949	46593	1	1	46198	18357	1	1	50928	1	9990	1	1	14104	1	1	1	15588	41226	1
C26 H50 N6 O3	34424	23237	12651	1	1	12874	12707	1	8640	25722	13995	1	1	6218	11735	21858	24966	11782	17999	1	32396	3627	1	39857	1	21298	19906	10849	1	1	1	18503	8898	16736	10834	1	5314
C38 H77 N4 O4 S	68888	106252	77959	66818	100183	72710	62919	1	88385	78197	74847	63053	69698	72371	66053	67524	75356	57198	58620	62705	69519	47134	1	70874	86105	65446	77442	76640	70601	1	76097	73386	1	77839	78287	65356	59110
507.4615@1.1251622	1	1	5934	5969	1	8999	1	1	1	7487	1	9774	1	1	1	1	4967	7195	6662	6099	1	1	6851	1	1	1	1	1	1	1	6813	1	1	1	8684	9158	8342
481.4475@1.1178908	1	5950	3686	6229	1	1	1	1	5405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2884	1	8857	2034	1801	1	1	1	1	1	1	1	1	1
C24 H47 Cl2	106851	1	34467	48954	84843	1	97236	69652	1	23471	59827	1	37653	1	1	45253	16039	33446	67496	1	27988	22350	23212	30743	32017	28250	24528	1	17133	1	1	20901	17599	1	1	59972	75333
(22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)-1?-hydroxy-22,23-didehydrocholecalciferol	20704	1	47736	50198	1	45849	1	1	96657	72940	47417	40154	1	68729	50993	1	41314	59374	1	25263	23192	1	1	1	58438	76745	1	65894	1	1	59251	69489	21690	1	63149	65635	1
530.315@1.1263297	1	1	6368	1	16301	1	1	1	1	1	1	11169	6395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Athamantin	21127	1	20485	19941	1	1	25063	14903	14081	10885	12437	1	1	17775	14203	17059	16779	19617	16532	8151	1	23262	9140	10387	15900	16546	1	1	8815	1	15814	8318	1	1	3899	1	1
456.29@1.1158186	1	1	8344	1	1	1	7910	1	1	1	1	1	3387	1	1	1	7916	6303	1	1	17503	1	1	1	4188	6937	1	6839	1	1	1	1	1	1	5949	1	1
447.2159@1.1100391	1	3830	68979	1	7937	1	1	1	1	1	9628	7766	1	1	1	6095	1	1	1	1	1	20835	1	1	1	1	1	4417	1	1	1	1	6746	14611	12755	1	1
389.2767@1.1357458	1	1	19889	1	1	1	1	1	1	16855	23978	1	1	1	19847	1	1	1	1	1	1	15513	1	1	1	20033	1	32292	43748	1	1	1	18444	1	1	19486	1
C19 H29 N5 O4	294759	1	144015	1	1	1	1	67991	1	17636	1	1	1	36214	1	1	1	99687	1	1	1	1	1	1	1	1	33021	1	19545	1	1	1	1	1	22478	119277	1
531.3779@1.1687552	1	17834	48332	1	1	10198	1	1	21023	1	1	65952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54017	1	1
Ubiquinone (Q2)	1	1	49770	1	21550	6856	1	1	1	1	1	10261	25094	11690	1	1	1	1	1	1	14529	28922	1	9255	1	1	1	1	1	1	14572	10435	1	12613	1	1	1
696.5691@1.1251916	1	1	7021	503986	7916	1	1	1	1	1	1	372334	7651	1	6490	1	1	1	7109	1	1	47524	436659	1	1	7906	1	10279	8196	1	1	1	9591	9121	1	7776	7012
495.4618@1.1132843	1	3942	5489	8151	1	2547	1	1	8588	1	1	1	1	1	1	1	1	1	1	2446	1	1	4461	1	1	1	1	4817	1	1	1	1	1	1	1	1	1
364.1887@1.1777319	115711	1	18989	1	121405	1	1	1	1	1	1	1	1	1	95604	1	1	1	1	1	1	1	1	10877	1	1	1	1	1	1	1	1	1	1	1	1	38467
296.1263@1.1286856	27462	15740	30510	23572	21507	13781	56902	24589	1	21179	1	12262	1	23468	1	1	17868	1	27364	13916	1	27790	11078	15964	27687	24957	46331	1	13019	1	23589	1	1	1	1	24546	1
Spergualin + 1.1258513	352518	1	60840	56728	194817	1	181662	81707	1	1	177973	1	1	20172	206856	122418	33321	111567	96911	64740	1	68809	94749	1	33205	61749	37294	1	1	1	1	1	1	27694	1	89721	138922
C26 H56 Cl N5 S	44446	49524	58837	49915	81492	54039	45016	25362	64478	1	49678	51365	47490	34319	1	56090	37686	1	45136	44852	32445	22263	46835	73296	1	32916	42059	33639	45937	1	41987	35667	28974	1	35649	29104	32180
Traumatic Acid	178557	1	33589	34062	26949	1	158435	68017	48222	95126	70571	1	98469	105180	96818	71376	76137	65572	102883	51398	40473	121989	28374	61916	119280	1	121158	22534	65244	40242	58182	31566	50448	92373	1	78809	98933
C17 H36 O3	46852	57944	68725	76786	52536	80077	51259	67699	76712	85984	65069	71290	52244	49407	69667	65175	48315	76463	65994	83284	41469	51325	53747	58148	43768	96884	66612	76126	73194	1	69517	84421	62295	71924	84128	76336	67257
Ceramide (d18:1/16:0)	35392	35881	44628	18516	39902	1	32251	1	30810	21643	29024	18278	11998	16475	11044	11442	11491	16456	17799	16350	9988	8485	15420	15907	15634	11665	22572	14359	14938	1	17515	1	1	9158	19840	24396	1
17-Ethynyl-10-hydroxy-19-nortestosterone	1	25929	60038	50264	68948	9689	45906	21489	30320	22304	27861	30454	74680	42663	24929	43859	68450	60317	75923	1	24365	38396	32487	91273	21085	37917	26010	29024	1	1	63370	60126	1	19229	23764	26381	1
769.5871@1.125632	32433	1	5500	8855	19475	1	28608	1	1	1	1	1	1	1	28132	1	1	18107	19357	9723	1	11535	6591	1	1	9758	4431	1	1	1	1	1	1	1	1	17155	25504
585.4087@1.121237	15694	1	30635	91484	1	21089	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26608	38308	1	1	1	1	1	1	1	1	1	1	1	29494
695.6411@1.128	1	1	10483	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
320.1979@1.1095724	4960	1	40968	1	1	1	1	1	1	1	1	1	16085	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8757	1	1	1	1	1	1
17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate	181686	407531	491423	496395	508917	459143	364817	411119	396054	354304	370455	540859	546093	544320	358482	380678	365957	464080	448212	287674	629735	282072	457879	334810	604603	301806	638141	409577	308063	1	359868	339111	498542	486493	490291	452896	304974
753.4698@1.147398	5455	8650	20240	1	1	7425	1	6430	1	9287	5694	1	1	5935	1	5189	1	3488	1	1	4001	1	1	6226	1	1	1	5677	1	1	4139	1	1	1	1	7877	6474
C21 H40 O5	1093208	1434368	1481005	675508	1895822	1236227	1463266	806375	1211130	884146	1335868	1180004	786716	991127	1005624	1100379	1089942	921773	987863	987235	1020695	914981	908162	1123839	1287467	1157985	1344026	1077787	1056471	1	1259052	935732	823768	721699	688339	1025739	1114252
C10 H19 Cl O S2	1	76322	28187	1	1	13454	1	1	52811	133766	57117	81701	100426	1	1	1	31713	12271	22926	79132	31819	1	10967	1	1	1	38568	23021	49892	1	45945	1	14270	1	1	1	1
780.4999@1.1257378	1	9935	31494	1	1	6641	1	1	1	1	3131	19177	1	1	1	1	1	13454	1	1	2950	1	1	3340	1558	1	1	1	1	1	8640	20363	1	1	1	1	1
459.3178@1.1294568	1	16918	14920	15433	20704	21173	16844	34802	1	1	1	19267	13316	1	1	26991	17247	25269	1	1	1	1	1	1	19162	1	1	1	1	1	1	23698	1	26280	1	23158	24183
448.3179@1.120718	1	1	7149	1	12922	7646	1	16433	1	1	1	1	1	1	19147	1	1	1	1	1	1	1	1	1	1	1	32303	1	1	1	1	1	1	1	1	1	1
473.2259@1.1651677	1	1	249524	1	1	1	73981	1	1	7503	1	1	1	1	1	1	12579	1	1	1	1	1	16435	1	5361	1	1	1	1	8750	1	1	1	53000	8874	83225	133156
C15 H33 Cl N3 O4	1	46391	54864	1	1	63299	41515	37460	52528	42572	39437	40633	1	78079	45103	34974	1	1	34140	33362	38743	1	55332	41801	41902	1	1	1	1	1	37476	43074	39990	47207	72830	47753	26878
523.4942@1.1272256	2218	1	7038	1	1	1	1	1	6402	2904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
26-Hydroxycastasterone	8631	1	12677	1	1	1	32738	10112	19175	1	19262	1	9541	1	1	1	1	1	36589	1	12532	1	1	1	1	1	1	1	1	1	14253	1	1	1	1	17863	1
511.4563@1.1089655	1	1	11583	1	1	1	1772	1	1	1	1	1	1	1	1	1	1	14530	1	1	1	1	1	1	1	25362	1	1	1	1	1	1	1	1	1	1	1
668.5382@1.1292306	1	4779	18913	4143	22186	1	1	69886	1	1	1	16047	3043	1	1	1	1	3668	1	1	1	1	1	3204	1	1	1	4661	1	7580	1	1	1	1	4260	1	1
755.6128@1.1304907	1	23161	11949	18962	14489	14931	16278	1	13186	5170	1	12430	14074	1	9180	13037	12725	8899	11810	13451	13493	10087	1	14006	16213	1	12549	7405	10950	6192	15602	1	12387	12434	10951	12642	12019
406.1994@1.1522738	1	1	11260	1	1	1	1	1	1	1	1	1	1	6558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12308	1	1	1	1	1	1
308.1987@1.1471931	1	1	85466	1	100813	1	1	125814	20251	1	1	1	47369	1	161605	1	1	1	1	23169	1	1	1	1	1	1	1	19808	1	1	1	1	1	1	1	1	145467
C16 H34 O3	1	27427	29054	29184	25774	25015	22508	24583	27799	25801	26735	22497	21715	22445	25150	24052	19781	25851	26805	26390	17718	21145	20047	20412	18221	33248	23416	26819	24628	1	21883	28085	19601	26461	25100	24620	22174
571.3987@1.1217955	1	1	25390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33685	1	1	1	1	1	1	1	1	1	1	1	1	2985	1	1
12-oxo-10E-dodecenoic acid	51894	1	27606	27141	53948	39038	100258	1	1	1	21236	40893	50496	1	82071	42223	28239	31522	89294	1	16556	62731	19980	1	35731	53626	20237	1	31119	1	1	1	1	1	1	30482	31010
208.1104@1.1222334	25984	1	42216	1	1	14017	1	1	1	1	1	1	1	1	17848	1	1	15180	1	1	1	1	1	1	1	1	1	1	1	1	12614	1	7258	1	1	1	1
C36 H68 Cl N2 O	1	1	8907	11519	4449	1	3518	1	28156	4578	1	1	5588	20958	1	4805	1	19541	5261	5458	1	4264	11769	1	1	1	6456	7226	3893	1	10082	1	1	5568	1	18887	1
C33 H62 O S2	1	40210	26469	1	12503	42485	1	29583	41076	1	1	1	1	27549	1	1	50776	1	36557	1	55811	6257	1	12784	1	8554	22640	1	53965	1	74999	25677	48415	7785	46692	1	1
MG(0:0/18:3(6Z,9Z,12Z)/0:0)	447848	82533	190983	152738	767788	45192	455894	186426	1	114518	400904	62896	1	1	354061	1	154878	221939	266963	174681	1	256754	99520	1	262199	205908	1	1	97349	1	101667	1	1	1	1	260917	379586
471.3539@1.1293588	16187	1	22581	1	1	21356	1	1	1	1	1	1	1	1	14926	1	1	1	1	33340	1	23238	37599	1	1	35202	11361	20551	1	1	12719	1	31581	1	1	1	1
2,4,6,8-decatetraenal	1	23970	23428	1	1	26072	22158	1	13921	1	1	18000	1	1	1	1	1	1	1	14257	1	21413	1	9528	1	1	1	15394	13128	1	13619	1	1	1	1	1	1
357.2505@1.12071	17203	1	23550	1	1	1	12034	1	12878	1	20499	1	1	1	16996	9468	1	1	24919	1	1	17486	1	1	13387	1	14332	1	1	1	1	1	1	1	1	1	6766
252.1722@1.1192772	147744	7153	36469	1	1	1	1	1	1	1	38763	36343	68448	1	1	1	31173	14495	30075	1	52585	1	16427	1	20090	1	1	1	1	1	1	1	1	1	1	1	33804
C24 H47 N O	19935	26284	72780	25178	27207	32471	23755	17987	28482	13782	19613	19137	10629	12273	5916	14794	9673	16421	9449	9781	15300	7241	32408	12110	1	32734	1	9400	7862	1	43503	11683	42222	5385	12202	17588	11470
641.5924@1.0839424	10420	6093	4000	18872	19826	2380	1	2728	1	2081	1	1	1	1	1	12858	8941	2840	1	1	1	1	1	1	1	8314	8304	1	1	58278	8841	1	1	1	6951	3197	1
642.4489@1.1290601	1	1	3046	1	1	3226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Embelin	90921	1	43869	1	39208	20584	40981	20670	20310	14227	1	66282	62352	44189	1	47790	35205	35524	26219	50115	29777	58234	23816	49971	30149	27661	36010	1	29422	16627	33315	54505	1	18600	11655	20938	17178
479.418@1.1339947	1	1	10761	11778	1	1	1	1	34573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
12-trans-Hydroxy juvenile hormone III	1	59539	94487	1	1	87635	32632	1	47738	1	51841	39730	45769	1	38808	28703	1	45858	35825	58035	1	49578	1	41538	1	37100	1	45408	43040	1	24905	29473	27642	27969	44512	14744	29459
665.5561@1.1322609	3754	1	5310	5667	1	1	1	5475	27354	2851	1	4031	1	1	1	1	2888	16444	1	1	1	1	1	1	1	8751	1	20462	1	1	4175	1	1	1	5966	5528	5263
484.32@1.132	1	1	4826	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.1654@1.1367115	24081	1	27160	22233	11338	1	1	1	20109	1	23028	1	1	13051	1	14531	12479	1	36063	26481	32178	23617	1	1	1	1	24384	18285	45579	1	1	1	12892	1	1	1	1
813.5174@1.133	1	1	4884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
259.1443@1.1313593	1	1	41503	1	1	45986	1	1	1	1	1	1	1	24565	1	1	1	32975	1	1	34571	48899	1	1	1	1	1	1	1	1	1	1	16658	17564	1	1	1
Isosafrole + 1.1335262	38668	74661	60571	26565	18224	93845	41227	22937	23213	17348	44998	36733	37850	29337	52706	26095	19500	1	26222	22644	32303	32802	22805	33640	21840	24350	20288	21028	22006	1	25072	21969	1	39089	21079	20446	1
350.2448@1.1342353	572881	1	164838	74836	452050	48055	337108	1	1	55376	334213	35810	1	67477	363582	180593	132334	169045	1	100905	1	1	74147	1	1	134323	1	24635	62614	1	68870	1	1	1	1	160191	297351
649.5612@1.1319792	14576	1	24138	9781	20495	1	8796	15953	1	8648	7310	1	8734	1	1	11378	1	14725	8228	1	1	1	7638	1	7428	1	9174	1	1	1	11084	1	1	1	11556	15644	13398
226.1206@1.1348252	105045	1	37515	1	17857	32420	1	1	1	14560	1	19190	1	1	1	17111	1	1	1	1	34170	1	1	1	19403	1	14538	1	1	1	19366	1	1	1	1	42068	29002
C14 H14 N4	46601	116288	83543	44138	1	143900	51121	26671	43246	29862	83447	1	59891	1	80779	35088	1	34203	38990	45487	57376	52053	1	1	30426	37208	34936	30005	32062	1	47328	38750	25836	71212	39010	31015	1
PGC2	56046	1	173668	106058	140471	50106	96355	189776	1	1	27273	1	269959	92008	1	7524	151548	35972	1	1	44433	1	50271	1	1	60766	59252	1	98904	1	9600	40698	1	65111	63664	153251	140064
Debneyol	50031	26500	28320	1	1	30271	12337	1	1	6317	16270	1	1	1	1	1	1	1	1	1	16114	1	1	1	1	28509	1	14848	1	1	1	16286	13917	1	1	1	1
C18 H47 N10 O	1	13716	8887	15653	11617	1	1	1	15561	1	6048	1	7963	4608	1	5544	5062	1	4898	1	4551	1	7256	4570	9228	8715	10385	1	4846	1	8848	1	1	3704	3389	5043	6238
236.1771@1.1321733	26357	1	17852	10965	1	9223	13976	1	1	1	1	23981	24091	27952	1	1	1	22849	1	1	1	16562	1	33254	15039	1	15855	1	34811	1	22477	29152	1	1	26869	1	25261
304.2031@1.1217937	1	1	16658	1	1	1	1	1	1	1	1	35118	1	1	1	1	1	1	1	22288	1	1	1	19397	1	1	1	1	1	1	7661	1	1	1	1	1	1
C51 H70 Cl N O	85782	1	19840	1	1	1	36039	30648	1	1	5838	1	1	1	1	1	1	13078	11517	1	1	1	1	1	1	15661	12156	1	1	1	1	1	1	1	1	22886	19564
390.2749@1.1305395	1	47585	61668	1	1	66402	1	1	36416	30329	1	1	1	1	1	1	1	1	1	1	64846	1	1	43566	1	60143	1	1	1	1	104596	40819	58627	1	1	1	1
C13 H27 N4 O2	1	13699	28022	1	1	25116	1	1	11938	1	10336	1	1	1	1	1	1	1	1	1	1	1	28014	1	1	1	1	1	1	1	24540	1	1	1	1	1	1
C25 H32 S2	70107	62288	83353	49863	82917	41092	63754	1	47152	58225	53652	50114	63628	67961	60368	47202	55246	1	29581	41115	47388	1	64947	62645	34580	48590	59497	37808	50083	1	71229	44367	28033	49896	44036	50389	1
249.1598@1.1340998	1	1	21237	1	1	43733	1	1	1	1	1	20516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H41 N S	1	1	9314	1	13215	15839	1	1	1	9152	11466	14184	14311	8761	11823	13885	1	1	58596	15599	17747	1	1	8487	17111	7579	1	1	7452	16287	6814	10103	10625	17161	10808	12949	7652
184.1099@1.1490891	46869	60247	169017	1	1	69483	47414	1	1	1	39462	70975	23565	1	49782	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61815	1	19024	1	1	1
Tridemorph	1	1	22385	17873	23866	1	18386	1	1	16928	1	1	14048	11289	10477	9577	15724	14552	20668	1	22816	18200	15231	16835	13304	10136	16471	1	1	1	18899	13531	18132	12649	10337	1	1
407.231@1.1276692	1	1	57909	1	31756	1	1	1	1	1	1	17940	1	19572	32195	12932	1	1	1	1	1	15730	1	1	1	1	32756	1	1	1	1	1	1	1	1	1	25203
348.1931@1.1465268	59939	1	44042	1	1	1	1	50129	1	1	1	1	1	1	22391	1	1	1	1	1	6310	1	1	1	1	1	145493	1	1	1	1	1	1	1	1	1	1
307.2045@1.2184523	1	10679	28757	15155	17474	37764	25746	1	28699	1	1	14175	1	1	1	16397	1	15953	17215	1	23087	20191	27551	1	19531	34177	21262	13290	22511	15893	1	14405	1	1	16915	1	19159
carboprost	296765	1	80397	32758	194653	1	322110	249520	16462	17054	187635	1	1	35820	156125	126529	59994	153715	385533	74749	1	367621	38521	1	242413	70194	157169	1	42145	1	63216	1	1	95092	1	84172	242184
C22 H43 N O	1811505	2213180	7674139	1515125	2077273	2601788	1843285	1088487	2774247	901592	1660063	1312473	765007	954579	407880	1077873	650081	1352472	559775	537425	1247430	456834	3404255	912839	535872	2745467	867447	769083	564441	1	4245302	975098	4466685	294555	827485	1454063	1025606
505.2154@1.1631272	2523	1	164495	1	8886	1	1	1	1	1	1	1	1	1	34545	1	1	1	5069	6622	1	1	1	1	1	1	1	1	1	4881	19276	1	1	19759	12071	1	1
518.1305@1.117052	1	4252	3343	1	1	1	1	1	5124	1	4530	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17901	1	1	1	1
C13 H25 N O3	70540	78268	163634	67084	82845	122956	95745	56110	105704	35190	104446	95133	51237	49774	32689	173493	41999	121775	62686	47796	94278	29533	321920	65546	46668	458279	1	471185	46991	1	242484	287926	59335	26476	148975	83018	53128
693.5304@1.1380687	1	3128	4103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
557.3901@1.0842706	195997	1	36441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61933	1	1	10463	1	1	10232	1	1	1	1
510.1715@1.138	1	1	10137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
190.1355@1.1432476	1	1	37117	1	1	1	1	1	1	1	1	1	1	1	1	16406	1	1	1	1	1	1	114119	20156	13514	55025	1	49255	1	2076	58657	40882	21308	1	23428	32100	1
4-Heptyloxyphenol	15148	28087	262431	17828	153059	38627	166140	112583	19746	1	21864	1	1	84493	27468	1	102488	1	1	131020	192559	1	666076	135268	118949	31033	85264	35507	92929	1	435360	22998	116724	1	17931	224476	131874
722.6507@1.2214671	1	4260	17867	1	1	1	1	1	1	1	1	1	1	1	1	16975	1	78047	1	12011	1	11367	1	1	12065	65504	11371	1	1	1	23772	1	1	1	1	1	1
C13 H25 N O2	83776	127429	217867	105885	119305	170837	157074	100624	154065	57343	141937	124508	69615	67263	1	104205	62721	149612	106761	20987	124523	48613	1	90920	83926	257766	74134	199271	67073	1	326909	149367	75977	34348	69566	128923	89961
419.288@1.1428176	103122	1	20436	1	39966	1	28613	17748	1	1	19545	1	1	1	32736	1	1	13016	26116	1	1	16519	1	1	18669	1	12034	1	1	1	1	1	1	1	1	1	24536
C33 H47	2047	1	14437	11733	7160	15506	11177	1	11092	5207	11547	11844	1	7580	1	9173	1	8216	6658	7522	14921	7059	30403	10547	7992	18429	1	23458	7850	1	25042	17171	7073	7236	1	17230	10179
Dinor-PGD2	299663	1	148438	93866	168978	1	108850	129724	1	16983	65730	1	111750	44248	119283	43483	62161	62368	101530	15795	52186	203593	21647	1	75959	87798	84764	1	51257	1	25529	28326	1	1	44316	89976	86748
366.2403@1.1425582	151197	1	98962	30532	1	1	1	37683	1	33765	123891	1	1	27158	68333	73728	46088	43385	1	47792	1	66551	1	1	76012	38177	37751	28396	27382	1	40306	1	1	39461	1	34228	94519
C42 H83 N S3	12719	38905	21506	27938	18074	32751	21495	17208	31133	22049	24786	23311	23163	22339	12601	28090	24917	18549	13477	31930	17841	16780	16190	28176	28032	24469	22483	31035	19812	1	25682	34004	32495	32636	30039	26831	25202
311.318@1.1311879	1	24071	30666	23348	20773	1	19945	1	18335	17628	1	15066	1	1	1	1	1	1	1	1	1	1	17178	13063	1	26935	1	1	11858	1	1	1	1	1	15253	16363	1
180.1512@1.1272368	1	1	62929	26985	40178	42573	41957	1	1	1	1	27905	1	1	1	4253	7328	1	36130	1	28593	1	91912	28026	1	1	1	54111	8017	1	61594	1	21331	1	20414	1	5123
670.636@1.1403122	1	1	81186	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60854	1	1	1	1
472.125@1.1389505	1	13736	7022	1	1	5761	6459	1	1	1	1	1	5366	1	5372	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N1-Acetylspermidine	1	19933	12190	1	1	11073	1	5507	26901	7647	8665	1	9591	6205	1	6534	6923	3942	6239	7472	1	5549	7471	6701	10699	21185	13221	7088	1	1	6942	1	1	7902	5436	8494	6357
166.0989@1.1340485	1	1	20577	1	1	1	1	43463	1	1	1	85238	1	1	1	1	1	1	1	1	1	71364	1	1	1	1	1	1	1	1	1	1	33013	1	1	1	1
433.3011@1.1449124	1	1	54842	21716	1	21450	1	1	26949	1	1	1	28821	1	1	1	1	31545	1	1	1	1	26798	1	1	1	1	37367	1	1	1	22943	1	33172	40642	22186	1
377.3484@1.1439915	1	1	20999	28494	1	1	9657	1	1	11660	1	8603	1	1	1	9993	27531	1	9872	36341	1	7862	9850	1	10969	102038	11262	11187	5804	1	11040	7915	19074	11375	10188	11447	1
406.233@1.1415828	26649	1	15511	1	1	1	17423	1	1	1	50036	1	1	1	1	1	1	1	25085	8917	1	1	1	1	1	10672	1	1	1	1	12206	1	1	1	1	1	1
Militarinone A	1	1	28797	1	20974	20458	1	1	31212	46597	35330	1	24385	55245	25895	37465	44993	29769	32540	33845	44339	35214	62474	1	31124	31482	40395	44790	49757	1	67282	49900	41342	65020	71281	63994	47456
214.1571@1.1428143	1	1	13367	13645	1	22309	1	9373	23567	23448	25865	42834	31328	40976	1	1	5583	1	1	1	25938	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
818.2168@1.143	1	1	2167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
595.1616@1.143	1	1	2655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H26 O3	101641	222308	108796	99387	53433	170590	93373	59717	116105	79570	100574	85288	108634	92759	109671	74342	93129	67030	83345	110986	99708	94150	88007	102246	78268	119712	72768	80373	91274	1	86761	106250	69567	111744	86771	67226	74632
821.4958@1.1397042	10645	4020	5326	1	1	5526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10199	1	1	1	1	6213	1	1	8146	1	1	1	4511	4277	1
94.0418@1.143	1	1	31185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H40 N3 O3	85229	183351	124897	216229	114212	93142	76276	86557	131862	21995	83938	109274	19618	128426	89340	107207	112454	63338	117768	83173	94328	11745	147715	100305	115885	80895	121773	69518	11497	1	67693	92458	89420	84439	88818	112099	1
C22 H52 Cl N9	11736	17226	35721	37227	6575	28696	13728	8153	33692	9834	15967	11077	22098	8496	6231	33475	12514	47181	10439	1	1	11112	17518	11351	22728	48529	35681	12491	35128	3853	16764	1	1	12831	12227	19422	11601
C18 H31 N5 O3	39988	78271	53459	37078	50693	66650	50514	38136	56944	36960	52254	94610	74812	28369	46927	38458	36263	41662	32881	39499	60257	1	29332	53788	35046	47670	34964	37154	31972	1	31680	61548	53310	34652	74039	41003	34160
455.2154@1.1995047	1	1	90629	1	1	1	1	1	1	1	1	1	1	1	1	1	7546	2149	9846	1	1	1	1	1	15182	1	1	1	4770	1	1	1	1	1	1	1	1
C42 H72 Cl N3 O	5606	24509	27478	18784	9345	37360	17412	19402	30607	24604	22095	19959	14655	25391	18800	32428	19003	24808	13958	25618	18546	23328	35987	20637	19758	19217	7253	31534	20650	20590	25614	48952	29637	32973	26684	20180	31245
Quinolin-2-ol	19507	237460	86765	56138	50739	100369	73544	38795	185408	273065	167756	63561	92370	147228	68363	99086	137273	85327	111111	208643	77878	71177	69315	102414	72572	56732	56473	199250	59648	1	129396	81626	37575	66352	110038	69973	72603
Tutin	26539	41273	36561	25577	39571	28874	40803	16356	31934	34292	30698	28035	33777	39189	21275	27692	29137	1	1	20710	29166	30363	39158	35528	17955	1	24908	24867	25627	1	41546	25978	15393	26351	23666	24766	19762
C22 H49 N4 S2	1	45573	52785	28267	63162	51662	51575	48754	48761	35529	46148	60945	60885	48865	37210	53324	36738	53848	28993	39800	72942	30184	45313	46388	68301	37777	37017	56170	33828	1	48991	42257	46620	52470	60359	49061	41621
527.3462@1.1352282	15870	1	14147	1	1	1	13064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3373
C22 H37 N8 O2	24243	19880	16422	1	20838	15398	20308	23338	15980	13883	16936	14012	17162	15647	15461	19262	17093	18303	11692	18101	16628	11868	12224	14418	21423	6595	1	13109	8858	1	12658	19273	1	18005	17215	11885	10232
Stearamide	1	34603	46232	29606	1	1	18207	15513	24660	26168	26285	1	21799	17673	16207	1	1	17823	19300	11244	1	17959	29558	1	1	21621	1	22574	1	1	16455	1	21018	13968	18371	1	1
323.3182@1.1426319	10298	18107	41398	1	1	1	1	1	20433	8847	1	1	1	1	1	1	1	1	1	1	1	1	25325	1	1	1	1	1	1	1	24609	1	61876	1	1	1	1
C17 H38 Cl N6	29630	1	25529	26050	37039	22255	28016	1	34556	18977	16818	1	26457	21191	17522	25350	23245	17412	24951	21996	24274	14867	1	33274	34090	19541	34555	1	22795	1	24178	20929	14213	19226	1	18100	19882
412.1871@1.1859615	1	1	20003	1	1	1	22494	1	1	1	1	1	1	1	1	1	1	1	6268	1	1	53027	1	1	1	1	1	1	1	1	7180	1	1	1	1	1	1
C18 H37 N O4	7788240	1.03E+07	1.03E+07	6744501	9246814	1.13E+07	1.01E+07	9056282	9068104	9057638	1.03E+07	1.12E+07	9155192	7099139	9237092	9056858	7209706	1.09E+07	6683209	1.04E+07	7270774	8248357	5864536	7981038	7811171	9615330	9013957	1.05E+07	8336636	7136	8212289	1.13E+07	8477796	1.04E+07	9134417	8962461	1.06E+07
C14 H24 O3	39860	1	30474	26773	20055	1	1	1	1	22005	22005	51436	53960	33017	34990	33646	1	30370	16467	1	76859	40708	29197	72197	38220	45323	45418	28514	1	1	34554	1	1	25601	36538	23674	31267
C11 H18	31333	31802	28019	18734	36749	1	29186	25642	1	6864	7822	1	22072	20741	24709	23624	20949	32169	20956	29737	30827	23674	19808	27010	19043	26979	24943	5587	24741	1	37164	35000	1	29038	27580	26871	30088
C4 H8	1	16837	15575	1	1	18782	17746	11191	10870	1	16131	1	15989	11706	16090	1	10942	1	1	15635	1	9662	8179	1	1	15560	1	11146	1	9622	1	1677	1	15264	15631	11957	14367
216.1009@1.1487509	1	31798	116769	1	1	33297	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H10	50153	26038	81275	45559	54448	26281	67267	68610	54259	47748	60022	71900	1	1	87124	51389	1	69127	57624	58220	25646	48659	40772	44486	1	82603	53319	93386	45612	1	49278	62765	47386	2633	1	62674	64338
4-Vinylcyclohexene	1	102605	119707	79108	123753	125849	121932	110295	1	90578	115278	121138	110252	78612	100790	94513	79358	107900	74742	98533	84718	87618	72715	84494	101876	58469	1	101656	86890	21861	1	107532	84608	106150	96740	101403	113601
Vernolic acid + 1.1473087	1175608	1673151	1588549	1062333	1500507	1869198	1592141	1444758	1387296	1381429	1640079	1752947	1470288	1104049	1452550	1415080	1137948	1711596	1037342	1594948	1208195	1236715	911042	1236524	1343992	1490921	1411963	1656487	1339593	1	1318798	1714237	1340007	1627258	1452868	1427957	1620989
335.3139@1.1488714	215747	1	456462	1	1	287216	1	1	1	262293	234945	1	1	228766	223250	291629	1	1	1	203673	1	212874	257013	1	1	1	1	1	228356	1	351735	224511	280045	1	1	274778	1
C37 H69 N11	1	10970	24420	9662	1	29390	11523	21498	9197	16666	8490	24304	9742	1	6160	12477	5800	24735	9267	8718	1	5307	1	13994	1	17349	1	1	11114	1	9486	6668	6823	1	21445	26444	24045
288.0403@1.1464332	1	1	1878	1	1	1	1	1	1	1	2053	1	1	1	1	1	3074	1	1	4318	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H22	4505468	6557254	6514933	4259594	6110841	7766262	6432801	5805259	5715248	5471359	6627534	7071672	6038658	4501004	5504987	5695908	4588421	6734473	4059620	6262726	5082189	4955596	3764586	4959584	5352961	5875707	5391178	6846510	5283530	1198508	5244586	6881615	5544021	6687599	6060290	5748510	6498065
Eplerenone	8694614	1.19E+07	1.01E+07	7335096	1.18E+07	4701574	1.17E+07	4366792	9355058	1.05E+07	8458522	4712600	1.00E+07	1.22E+07	6930392	7950967	9506617	3779477	5987569	5364590	8774420	7283840	1.11E+07	1.16E+07	5396259	6940501	6515261	6913810	6741638	1	1.12E+07	7386337	4944810	8317745	7582871	7592314	6145916
C14 H24 O	388459	536383	550418	333100	9937	640440	1	500900	478016	443879	529931	574845	374585	362689	448174	463155	367071	555605	325959	498098	265369	397258	1	397058	440761	467644	422783	547369	321804	112022	432036	540449	13675	522118	343491	461407	516747
C20 H39 N O	39280	74598	98299	59922	66237	46186	47590	45479	63287	48991	42262	39003	31442	39856	28639	32893	32960	38404	22628	27726	27009	22394	55208	25179	24892	58508	30373	34260	17330	1	72590	24592	65467	15424	24992	44127	26215
Hymenoflorin	143776	167120	143683	118779	161838	106639	165141	69320	127092	147100	127664	116679	147943	177301	1	119365	134462	94142	103312	79641	120842	108474	151453	157972	80376	103504	103504	98157	101330	1	157750	107466	71440	111527	121749	109936	91532
C27 H32 S3	1	16398	19638	1	13012	1	1	1	11147	14781	15578	10494	15459	20711	1	1	1	1	1	5618	15355	1	19828	18249	1	1	1	10203	11918	1	23227	8913	6848	11957	8188	1	1
C30 H53 N S	1	20662	33288	1	10750	45161	10971	29389	19049	22214	13925	42260	1	1	9278	1	11277	1	18328	12895	11042	9506	7188	26086	11553	1	1	31899	1	1	15163	18542	13684	13043	40323	37000	40992
alpha-Methylstyrene	1	209873	207069	140125	224788	172222	207404	121288	175227	186309	176201	174827	193505	194121	144449	156866	171513	149459	112662	122905	159581	152800	182184	178996	110706	143178	133265	147251	140410	17185	195299	152695	107959	156973	149038	163501	143876
Cinnamyl alcohol	71711	80450	77067	58758	87103	1	86125	39714	61423	68891	59297	62180	74933	84347	59739	56067	66568	50431	45857	38159	60511	62346	75649	75475	40693	53563	49008	46461	48051	1	76826	49512	32171	55217	53947	54891	57147
92.0623@1.1501691	48962	1	62623	1	1	1	6667	19570	43204	1	51643	40107	1	1	45897	47671	45191	51458	1	1	1	1	34089	38382	1	1	44884	1	40378	13814	1	1	25181	1	1	1	54038
C7 H10	86755	87712	121281	68048	115082	102851	105267	124478	78304	70640	91093	104005	1	67608	109756	1	1	1	36860	1	1	81559	72049	71365	79327	103629	1	65982	71020	20623	70610	80908	65988	83036	83587	91789	1
C7 H12	6529	16247	14569	1	16494	1	6600	13285	1	12167	4123	3501	1	1	13984	14442	1	14213	1	16157	1	1	10206	1	1	3225	3618	4174	1	1	15281	15018	1	13295	1	1	1
(±)9,10-DiHOME	239597	241872	211776	142137	171589	249405	176908	224816	168941	236423	217535	66970	222378	137913	175877	163532	175135	199164	159162	214460	173169	193195	110320	192730	151620	213039	212721	248309	204560	1	160351	228847	191271	222367	225195	169837	189215
187.1205@1.15	1	1	10781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.1371@1.1584543	1	1	85275	1	1	1	1	1	1	1	1	29101	31514	1	1	1	18667	1	1	1	1	19839	1	38689	1	1	1	1	19396	1	33700	1	1	1	1	1	36898
Limonene-1,2-epoxide	1247608	1304913	1884415	110398	164116	208104	1323379	159412	1639995	1522431	175100	2010486	153616	1	1578776	149508	118404	174630	115356	1572469	122316	122465	104080	122569	139438	154445	1489803	155538	1463749	472123	1033456	179157	1502419	165646	153864	1549633	1720269
443.2884@1.1462168	22752	38513	17113	25914	45192	1	1	1	1	28478	1	1	1	39754	16371	6547	10609	1	1	20222	1	1	25544	1	24868	1	19988	1	1	1	23208	1	14104	1	1	75337	1
1,2,3-Trimethylbenzene	257996	352306	330993	222685	304265	384264	336405	287163	286720	284380	326410	362326	302008	226157	279418	270921	239953	309652	214610	298744	241634	242312	197381	242946	274613	296922	272855	325430	253962	87236	267144	323929	262575	305955	302769	272331	289397
C11 H26 N3 O2	80013	88714	41001	31330	39666	1	41661	1	42279	1	52892	1	46727	38678	1	1	42105	55027	1	15001	42145	43075	22634	43565	62527	1	1	11260	34458	1	1	1	28185	1	1	1	1
723.5233@1.119367	1	1	12539	1	10413	1	1	21058	1	1	1	1	1	1	1	1	1	1	17307	1	1	1	4841	1	1	1	12322	1	1	1	7564	1	1	1	1	1	1
Ectocarpen	238179	321722	311878	217321	306350	363959	318034	277633	284616	263509	318570	333480	297436	223785	259338	270995	219301	317765	189741	292585	244180	249942	189776	231005	261359	267967	251501	315632	239219	83347	255616	319844	261993	313023	291495	275911	305560
C22 H41 N2 O	2401284	3758310	1646594	1168076	1756835	2475169	1289833	1092677	1427084	1257499	1367507	1621729	1398539	1167862	1227899	1327174	1196278	1511102	1031917	1133193	1300125	923288	1028787	1032366	1941145	1250455	1113912	1386341	1068362	61462	1095462	2435296	1203330	1313416	1888933	1276389	1138614
406.2715@1.2269514	1	1	23632	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50714	1	1	1	1	1	1	1	1	9699	1	1	1	1	5308	1	1	1
C23 H53 N4 S2	15393	18353	42704	10535	23125	33476	1	15038	38002	23994	19743	14618	26797	11014	10976	20533	20498	10623	11902	15572	20138	14256	28767	19230	1	24567	34659	16449	20217	1	16927	11534	16905	18744	17360	26851	11186
C41 H75 N S2	13023	38229	20225	1	30733	30050	37238	12891	31784	19452	25063	55054	31375	27856	25309	35208	12292	20809	14925	35298	25147	15816	40387	17878	10616	15816	1	31339	18030	1	28560	39978	1	38031	24036	29562	37089
C9 H14	39289	1	41980	25424	1	45076	43646	1	33732	32271	38710	41570	41971	28051	43449	35962	26737	35278	30408	32924	32070	33568	30956	31389	33517	44305	38592	1	34741	1	31397	1	32533	35253	32359	1	35322
C38 H72 N2 O2 S5	1	1	8690	3966	15515	1	10606	1	1	1	1	1	15647	9773	14350	3291	8708	4484	11758	1	1	14584	1980	1	1	8942	1	1	4644	1	1	1	1	1	4039	8630	7280
538.1574@1.1059619	1	1	171354	1	1	1	1	1	1	1	1	833804	1	1	1	1	8733	1	1	592293	1	1	189014	4555	1	1	1	1	1	644440	1	8356	454747	1	1	1	1
C26 H36 N2 O6	165305	247262	122889	130090	167540	113822	160112	78115	128658	167769	134890	132609	171493	199218	141362	143876	154773	106186	121773	99313	144087	124937	160160	201537	114032	104772	122245	116490	134484	1	163466	140095	80264	158369	131864	123534	121244
535.1582@1.1458613	1	1	1756914	1	1	1	1	1	1	275670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4375556	98824	1	1	1
104.0622@1.1585077	48757	1	73166	15631	1	33743	31176	1	1	1	1	1	1	1	1	24809	19899	1	15288	42469	24278	57095	1	1	1	1	39527	19505	41415	17993	41607	44258	33427	1	1	50986	46079
C7 H6	54551	30906	85112	42092	1	1	66020	1	1	1	31084	60579	1	24264	1	50702	1	1	1	1	23445	27728	45506	1	1	1	54547	1	1	22761	47891	58203	40998	53354	1	1	39426
281.2715@1.1757984	1	1	67615	1	1	1	1	20945	1	1	37274	1	1	19599	1	1	13617	14998	1	1	1	4435	1	1	1	2905	1	1	1	1	1	1	45924	1	1	1	1
241.2044@1.1575167	43244	1	10882	16597	1	1	19623	23864	1	1	12913	1	1	1	1	6941	1	23344	1	1	1	1	1	1	10217	30766	17612	1	1	1	1	1	1	1	1	1	1
557.4555@1.1370513	1	1	5930	1	1	1	4890	1	1	1	20311	1	1	6223	1	6360	4309	1	1	1	5069	1	4451	1	1	1	1	1	1	31386	1	12434	1	1	1	1	1
MG(0:0/18:1(9Z)/0:0)	73426	121638	99984	74446	127227	73665	99209	37511	1	52785	77302	90275	79309	90424	70227	85225	94034	57475	89776	54261	82590	1	1	72234	1	98793	99199	69024	70231	15578	108426	83290	58217	52274	78346	82909	60427
C35 H36 N O2 S	31025	49681	17838	31136	18007	15394	32768	11016	20484	51133	17796	18197	30773	41739	18463	20720	35242	15402	18140	16811	1	21110	22187	35664	13746	15889	17375	25136	22689	1	33347	23361	10278	29318	26216	23157	14333
817.4247@1.158	1	1	4243	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
334.2871@1.1292284	8280	1	56741	1	64182	1	53341	1	3968097	11960	1	52457	42540	1	1	1	8477	8632	38535	1	38225	43759	1	45318	1	1	46581	1	1	1	1	1	1	5810	11234	44462	1
C21 H36 N O	80010	144968	118862	89865	105388	103123	1	95439	97578	112444	94296	96018	92559	95656	95284	89341	98764	103013	96801	78598	82786	94134	103433	85167	74664	79953	80013	93300	83192	946288	88111	88099	79442	91778	89081	101618	77904
397.3167@1.169656	23965	1	9234	14927	1	7875	9542	11151	1	15522	9386	10706	19487	1	14151	12043	6344	10904	9789	9885	15745	8252	7934	11281	17933	19251	9448	6423	7626	1	14773	7345	12884	5408	12993	12746	12608
C13 H25 N O	19315	17774	29683	21577	22697	17091	22047	14084	28286	1	12093	15839	13494	9479	9871	26519	9130	30474	15593	13958	9899	1	15857	17311	21228	83905	25262	17215	6583	1	17007	10680	9976	5552	9285	16518	18019
457.2285@1.1773108	1	1	132999	1	35354	1	1	25591	1	1	47944	39554	69899	1	26885	1	1	28225	1	1	2606	43250	1	65436	1	1	22424	1	1	1	1	1	1	1	1	1	1
C22 H43 N O2	58133	1	536282	474353	435971	94278	434185	269466	627108	294766	250073	333863	220023	181157	162522	441697	212400	740512	264954	300203	239067	281213	312157	321049	332229	1546292	385823	323740	145371	107126	332792	45633	175890	110115	198299	325637	336376
191.1312@1.1609367	1	41270	32253	1	1	46431	1	1	22768	13044	29989	23624	38193	13970	22317	1	1	1	1	1	14490	14822	1	14905	14875	1	1	1	17387	1	1	1	17024	28482	29069	1	20324
421.2804@1.2117374	17471	1	25291	1	1	28758	20957	1	69006	1	1	1	17480	1	1	1	1	34778	1	1	37571	8270	12709	6934	4711	1	27342	26116	1	1	1	1	1	1	1	17826	1
787.4995@1.1602032	26150	18252	21569	21611	25732	1	18945	10621	1	24689	1	1	9615	1	1	11479	13205	18661	1	1	1	1	17156	18069	1	27544	10349	11487	1	1	17575	1	1	5422	1	1	1
323.1969@1.1752473	1	1	15843	1	1	1	1	1	1	1	1	1	1	1	6571	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9277	1	1	10064	1	1	1	13141
279.256@1.1783504	1	1	10021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9660	1	1	15704	43874	1	1	1	6572	1
178.0562@1.1622175	1	195467	97476	1	1	92843	29308	1	1	1	1	49302	32871	6139	26616	22237	7552	1	1	1	27843	25708	6240	32727	1	28544	1	1	1	1	19064	19279	1	22370	1	1	1
653.3248@1.1635475	30981	1	14916	1	1	1	1	1	1	24123	1	21493	1	27313	1	1	1	1	1	11862	1	27135	1	14458	1	15734	1	1	1	1	20349	1	1	1	1	1	1
293.219@1.16424	1	1	16192	16516	1	1	23223	17306	1	1	19019	1	13973	21863	1	1	10336	1	16629	1	1	1	1	1	1	1	1	1	1	1	1	8430	1	6712	6782	1	1
C22 H22 N6 O	336729	318097	254176	250948	362916	196616	261912	170840	198563	218647	208644	244443	236227	228113	241703	205141	224758	164366	218259	186572	272279	183709	181179	261909	219767	164278	223993	155225	215887	1	254157	167265	55893	120857	78801	107396	114946
C21 H33 N8 O2	1	197132	84062	113877	155151	23584	145813	1	82334	164564	25622	36253	89245	195429	48410	33338	61562	18906	66259	79043	48362	86399	83874	64061	87174	4295	125987	13905	47514	1	59335	31234	54960	16092	26353	167181	1
C22 H33 N3 O18	109002	53446	48816	46896	99586	45558	46162	30460	51156	38999	47513	48131	46329	53303	66373	43818	43603	42322	36154	27001	64172	38506	56543	60372	34403	77845	90922	29487	38889	11025	46964	31334	18181	22626	19683	21348	14078
C22 H41 N O3	90718	123263	162045	282276	187602	85370	161371	148540	325368	128301	104431	137115	84113	70261	61465	194136	86955	318554	124073	165306	98222	155622	122011	171395	196320	774949	180186	137373	73424	124764	128562	72300	88528	64058	94755	110826	154293
9-dodecynoic acid	48007	25200	37219	1	1	1	37892	1	20414	1	20910	35148	8005	23791	27501	18836	9756	42335	9554	24109	32153	1	16390	28961	22768	62327	40986	1	24907	1	1	49803	1	1	26820	1	28844
C17 H36 O4	54191	68554	67240	67363	75783	60612	53151	47198	1	57073	57589	59149	50502	58435	43631	44063	63734	60181	43895	52923	52608	55650	51340	50261	49158	57285	1	47728	23759	11205	56665	49912	43984	38814	10524	53873	43098
255.256@1.1584002	17456	20588	52939	13625	14949	15353	15334	13323	1	1	20799	16040	10243	13258	1	1	1	14718	20573	1	20444	1	24416	1	1	1	1	14666	1	1	32708	23059	1	1	1	13463	8823
C22 H41 N O2	1	1	3032767	3828534	2839266	108578	2703293	2179968	1	2255782	1876029	159496	1491660	1229892	1077597	2924774	1697007	4677652	1761193	2048892	1	2004334	2033453	2496081	1273621	9090611	2436022	1887714	1173746	446516	1934135	1	1176930	855829	797957	1978513	2238778
C24 H47 N3 O2	1	62087	68830	1	62165	1	1	55532	1	1	40278	1	1	1	32583	63515	1	86700	1	51053	46200	47079	1	57242	60383	154411	1	43225	32222	16629	45177	31032	31828	1	1	1	60092
C27 H51 N8 O	1	4787	18575	1	9143	19802	7841	9406	13300	8837	1	21417	6554	1	1	9928	1	14092	1	6900	1	1	6622	13485	1	10256	1	15947	8127	1	7117	1	1	5722	14443	12742	13008
C9 H19 N O	60039	185337	109167	62356	1	92527	53111	32300	56470	79477	79159	66848	74640	43619	64469	49295	51075	52808	41028	43539	65599	57572	40452	75375	39885	144909	66973	43293	68946	1	103820	80427	58760	65431	63250	44392	48915
C39 H81 N7 S2	1	20585	35661	10185	16990	48330	15352	12202	1	20865	14113	52868	15586	5455	8312	23092	9454	38309	15608	11095	8073	9292	9262	21342	22689	26619	1	39462	19759	16801	18848	17530	9464	17185	39783	33932	29554
C27 H43 N S	29272	58114	52502	56090	46636	28615	50411	27680	122154	47387	32736	1	37974	36681	38535	38072	53929	28664	39553	34668	1	38949	1	33100	31047	43826	40490	38848	30107	20293	37912	29716	32325	35643	33286	40217	39439
C14 H33 Cl N5	21560	1	32994	1	21372	31834	25206	21701	1	25268	1	35691	1	7623	28482	28481	8984	27248	29229	29203	1	29388	10760	17512	8306	1	1	21267	9945	1	11755	28378	28030	20314	22289	20054	25142
148.0522@1.1365335	14722	15696	24704	33687	1	23423	1	1	1	1	1	1	1	23170	1	1	1	1	1	1	1	1	1	12306	10932	1	1	1	1	1	1	1	1	1	1	1	1
409.2467@1.202013	1	1	144134	1	51473	1	1	22615	1	1	1	1	1	1	1	1	1	1	1	16664	1	191133	1	1	1	58583	1	1	1	1	19502	1	1	1	1	1	1
Oleoyl Ethanolamide	1	29603	34357	1	1	17666	34453	25237	40487	1	1	1	1	15085	19184	55469	21190	43868	22767	27664	20575	26535	1	23360	1	90691	1	1	13903	1	26110	22308	1	1	19169	25125	25708
128.0851@1.1555468	7221	1	3894	1	1	1	1	1	1	1	1	1	1	1	1	22081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3046
C5 H10 N7	98069	168317	147618	125089	181884	163886	171464	151182	148077	140074	186005	205401	191368	124701	141417	176692	142402	171302	120424	139454	180708	123123	122162	131152	191504	136651	140778	195776	152112	102237	153817	162832	151180	180642	183564	162990	147170
Hydnocarpic acid	261626	486730	465779	325690	491145	469282	482671	395696	1	343415	489308	519522	463825	345121	343517	409416	371631	465033	281704	399165	504045	326892	1	341680	546937	348380	337361	483607	387418	258222	402750	414373	377757	471594	458345	409152	403016
C17 H30 N4	119635	138915	107924	78312	48441	82582	96765	1	93630	82124	96658	90075	43061	66040	67042	55072	61905	42069	75601	37158	62945	130318	52578	103244	33555	1	26186	34353	72098	17691	59483	77114	90539	48340	70616	58790	48882
126.1041@1.1587281	5584	1	11768	1	1	1	1	1	1	1	1	1	1	5503	1	1	1	15999	1	1	12282	1	1	1	19177	1	1	1	1	1	1	1	1	1	1	1	1
463.4227@1.1705006	1	16604	13716	1	11089	10998	5719	1	21748	7839	1	1	5855	5071	1	1	8321	1	6758	1	1	1	10227	1	13133	9372	12497	4773	8475	1	1	4917	4417	1	1	7173	1
489.2208@1.2453767	24488	1	47530	1	1	1	15314	1	1	1	1	1	1	1	1	1	1	1	1880	1	1	1	1	1	1	8359	1	1	1	1489	1	1	1	1	1	1	1
C25 H49 N O3 S2	31766	59720	53262	33724	62548	53238	58271	38670	39106	33550	48464	56170	56225	40879	1	54532	41543	45297	22304	1	70583	36154	38351	49896	89431	32865	50103	51035	34903	31093	1	42355	26165	63115	53965	38551	42892
480.2707@1.1798166	1	1	3919	1	1	9422	1	1	1	1	1	1	4457	1	1	1	1	1	1	1	8653	1	1	1	1	1	1	5702	1	1	1	6876	1	1	1	1	1
220.1318@1.1785645	1	1	64901	1	1	60757	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0836@1.179055	1	1	71810	1	1	1	1	1	1	1	49749	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
355.3412@1.1813363	1	1	35048	30625	24893	1	1	18848	1	1	18636	1	1	1	1	28076	10376	1	1	1	1	20940	1	21569	15056	1	1	1	11711	1	1	1	13592	1	14441	13696	1
210.0878@1.1768993	28607	33389	40530	1	1	50445	1	1	1	1	1	1	1	1	27986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
428.3495@1.1697543	1	1	4898	6055	1	1	1	1	1	6523	1	40089	1	6558	4187	1	1	1	1	1	1	5375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
284.1973@1.1801854	1	13274	14790	1	1	1	1	1	10859	1	11094	1	1	1	1	1	9521	1	1	1	1	1	1	12298	1	1	11019	11019	1	1	1	1	1	1	1	1	9477
C20 H38 O5	874655	1513365	416438	234952	1433503	657688	1475093	1272782	1398874	1133781	463114	448306	1591426	1000949	831267	1258536	293070	1385918	819818	1161660	1519631	1046302	64063	323578	323744	1136991	248828	1915463	1185207	280234	1297760	401080	1426533	1178404	1722180	1227782	966834
119.0846@1.1802067	1	1	6322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5539	1	1	1	1	1	5501	1	5994	1	1	1	1	1	1	1
C20 H41 N O5	1.34E+07	2.23E+07	2.19E+07	1.55E+07	2.19E+07	2.55E+07	2.19E+07	1.90E+07	1.99E+07	1.76E+07	2.26E+07	2.33E+07	2.28E+07	1.61E+07	1.63E+07	1.98E+07	1.75E+07	2.14E+07	1.39E+07	1.83E+07	2.14E+07	1.65E+07	1.49E+07	1.72E+07	2.17E+07	1.77E+07	1.62E+07	2.49E+07	1.85E+07	1.75E+07	1.92E+07	2.05E+07	1.94E+07	2.15E+07	2.30E+07	1.91E+07	1.83E+07
278.1737@1.1811874	1	41716	46617	1	1	72278	23551	1	1	1	25006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18072	1	1	1	16440	14927	14305	1	1
88.0522@1.1818553	21630	1	28309	21082	44991	40801	35383	26504	1	24634	1	34582	87884	1	27969	36381	24356	29018	18319	25367	49234	35730	1	24076	1	27720	23195	73435	37545	27074	25184	26517	36765	32278	34930	27273	26695
399.2984@1.1686392	68773	125784	103850	1	1	1	1	1	1	94780	1	106762	102875	83310	1	1	99676	1	1	101187	6813	1	134200	85462	1	67241	15473	1	98239	1	118024	1	1	1	1	117447	1
C6 H14 O4	711458	1352351	1393337	882018	1383034	1657214	1356240	1157424	1249712	1025811	1461378	1496112	1485451	930924	944525	1206490	1022985	1345339	800517	1058068	1348421	947074	901769	1023811	1391891	1072551	958943	1669704	1079486	1209070	1165652	1301230	1262483	1379896	1539484	1208308	1122955
340.2612@1.1784611	1	1	1127134	725321	1	1410867	1	1	1	1	1149366	1200191	44153	1	1	8557	810172	17046	1	40398	1	1	696749	793207	1075475	1	746645	1	21247	1	1	1014692	7614	1	1	1	1
Melengestrol acetate	22318	21690	18307	11501	13110	22979	17652	1	1	17697	14343	19339	12463	1	1	13572	10167	1	12709	11343	19345	1	10629	1	9309	1	7536	18577	11586	8100	11338	15678	12616	16600	17902	1	1
C23 H49 N S2	1	15503	16875	1	1	37372	25548	30703	39198	33367	41839	38762	38537	32831	36386	44624	42718	41681	32140	48921	56616	37205	49515	47385	63428	40090	39633	97333	71005	1	70967	85715	96335	101021	111106	79741	84762
C20 H23 Cl N2 O2	47590	57333	35348	1	42147	11960	39315	32840	42213	43532	46952	1	53448	44742	35396	35882	43143	32394	16844	36714	36319	42538	33431	49221	33869	27487	35568	27805	39893	1	35931	25158	9573	12885	1	36322	27165
562.2062@1.1854942	1	22515	3907	1	1	1	1	1	7337	1	1	10366	1	1	1	1	1	1	1	1	33069	1	1	40753	1	1	1	1	1	1	3320	7765	1	1	1	1	1
C22 H41 N O9	72524	55162	52322	42570	54333	51512	55912	40187	55439	53830	72855	57209	71925	51821	35968	56261	44377	35947	41266	38597	41640	38850	66688	57614	30375	41706	53768	29784	50584	36730	52545	45019	39467	27618	76367	47523	29921
C41 H64 Cl N2	1	9170	13597	1	1	12905	7868	1	1	11757	1	1	7744	1	6096	19290	7012	1	1	10850	1	7153	9849	1	10629	1	6186	8544	1	1	1	9108	4666	1	1	1	9129
C18 H42 N3 S2	1	196529	158715	22072	1	13495	1	1	142911	134214	1	155106	1	15399	1	1	1	1	1	118946	126669	1	118319	111005	1	1	1	134347	1	119760	115917	104614	133344	107737	145532	1	1
C23 H47 N8	10173	1	20235	33340	12868	15850	1	1	27134	11872	9518	6473	11253	8934	1	9251	8072	4866	8050	10549	6428	1	11090	9500	14701	43334	21118	7829	11439	11155	8316	4834	4016	7768	7119	12495	7920
C30 H66 Cl N5 O3	4563	13880	21080	27299	25032	1	15820	27657	45209	24861	13920	1	14259	1	16695	28410	15482	1	1	1	1	16524	22923	1	25658	1	13644	12758	18332	27859	28822	14091	1	12731	1	35061	27146
3-methoxy Prostaglandin F1?	154494	1	97051	35777	182509	1	1	1	18266	20980	154028	1	1	56325	86358	107724	78657	1	101285	43536	1	122500	1	1	133240	1	1	1	1	1	28598	1	1	62999	1	1	120603
C22 H39 N O3	60921	88650	255098	195591	305578	142000	169012	1	374279	1	1	222731	1	111682	36936	224125	119544	318729	135395	230148	185179	179550	205172	1	229288	909619	256916	2971	82695	87835	109520	104982	123201	58738	130449	169459	154941
Linoleoyl Ethanolamide	89433	189620	197345	329090	246621	134978	204045	178562	334576	211793	166743	198691	182825	120921	115174	213559	161933	293863	146126	180982	112530	151105	229420	214701	163403	506062	234157	175021	1	114893	215148	148701	149098	103089	199941	205734	154080
408.2462@1.1801564	136761	1	31514	17539	82521	1	40435	25592	1	1	117682	1	5986	16181	36906	33965	35687	25406	78382	23586	1	1	17122	1	79743	28672	15943	1	16188	1	15927	1	1	13002	1	21909	35965
345.261@1.187307	68833	39541	26480	7484	1	22867	29989	30632	1	33167	31180	31599	1	23126	1	29836	25906	33496	1	30061	25267	34388	1	59628	1	50801	1	1	1	21372	1	1	1	21227	6124	1	21014
341.3308@1.1921322	1	1	11430	10066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16320	1	1	1	1	5329	1	1	1	1	1	1
C15 H37 N4 O S2	1	39850	38032	24899	1	37970	26925	33752	1	22155	1	32926	28841	24937	25105	33651	1	19931	23069	20680	1	21521	22342	19224	1	1	17314	1	24518	1	23104	29654	25907	18809	26289	28249	24726
565.4683@1.1894794	10199	5218	9603	12425	1	1	6012	17961	10614	1	1	10225	9728	1	1	11458	1	10395	11424	1	6366	4552	12469	10170	1	23091	7052	6526	1	13174	13589	4823	4066	1	10618	10186	9842
C9 H21 Cl N5	1	188211	217405	1	1	238676	88175	1	1	1	77812	76017	1	21593	1	45729	1	1	1	15237	55841	1	1	71435	1	1	18273	1	19001	1	51449	1	35132	1	25847	1	17723
3-Methyl-2-butenoic acid	15744	57987	71604	1	15524	77072	29907	1	1	1	31062	44042	27233	1	17313	17021	1	1	1	1	22249	21866	1	1	1	13439	1	1	1	1	15814	16245	15718	14255	15991	1	1
404.349@1.1932949	1	1	59144	88904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H31 N4 O S	1	1	25155	1	1	23015	21219	16104	16773	21344	29103	25643	20810	15859	1	28897	17456	18303	15682	1	12233	22442	25927	19046	12857	25263	1	16479	16853	26315	21467	26368	27132	15177	22852	18752	16232
C26 H58 Cl N6 O2	17706	13835	53132	34859	1	34907	1	1	82060	20337	26982	16860	1	1	1	31785	18999	1	19312	1	1	22427	21858	16999	19452	25614	32601	1	17792	1	20514	10389	1	12353	18634	19694	10395
510.1718@1.2119285	1	1	17707	1	1	1	1	9498	1	1	1	1	1	1619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H41 N O	619958	1248738	1029590	2120781	1138220	693283	1	1086022	1556816	1184736	991968	1187906	856544	594140	485030	1308274	1054082	2691703	1050540	918774	729685	930332	1073936	1	908241	3655089	1147775	1284651	549392	752315	991666	1	684436	440466	1183433	1357146	1143984
C15 H32 O S2	1	159831	242541	68355	1	211940	112632	77419	91199	135924	160905	151293	95979	70862	1	131881	56592	118115	59939	162171	70284	1	88923	102869	1	66690	1	93017	122906	117192	95345	1	91741	90031	109439	1	71258
361.2467@1.2039876	108853	1	42693	1	101090	7437	1	75612	1	1	17425	1	1	1	1	23884	6842	32640	109227	1	1	24381	1	7477	1	52021	1	1	1	20793	1	1	5678	1	15243	27785	1
C22 H47 N6 O	1	22897	13747	32105	10973	7513	28748	12826	18539	16975	12596	1	10993	9837	13963	11131	16095	1	1	8653	5989	16196	1	1	8493	27737	1	11901	9995	1	8889	6392	8596	11742	4954	1	1
C30 H55 N4 O S	1	1	15949	17088	32543	11704	24953	26150	25514	12816	18978	12049	31476	17097	26752	9914	1	27971	20541	26843	5960	7237	10015	7992	15980	9428	16043	1	6036	9087	8033	1	1	9280	8098	12702	5845
C20 H41 N8	151042	878669	672957	1105472	865220	564945	617349	547839	642114	618998	525863	819248	902107	952302	506100	651480	696942	724917	755828	418918	949464	456818	1008056	562146	917530	505344	640237	517473	399981	520493	470067	505224	637662	611702	586808	700569	428589
C36 H71 N S4	23157	6696	7362	33542	23482	1	5545	1	28418	1	13465	1	5814	10323	1	1	9708	1	1	11602	2400	1	1	7542	6655	1	19463	1	1	1	10023	1	1	9108	8438	5443	3536
390.3336@1.2001715	1	1	125428	1	1	42105	1	1	1	7820	86442	1	1	311986	5930	1	1	1	1	138816	1	9582	1	1	10985	60794	1	1	1	1	1	1	1	1	1	1	1
507.4232@1.1650473	1	1	6070	1	1	1	1	1	6040	1	1	1	1	1	1	1	10409	13412	1	1	1	1	3488	1	1	1	7508	1	1	1	1	1	1	1	1	1	1
C13 H33 N10 O2	1	19579	22691	27079	29678	23490	21170	1	19284	16734	23733	28504	21743	1	19008	1	18280	23518	1	16577	20099	18131	1	18876	25898	31705	23749	19920	16358	19249	22682	16109	15675	18758	21137	1	20675
C31 H60 Cl N6	1	7248	13757	14424	1	1	10997	16016	1	1	6786	1	10186	7878	9207	24153	11805	1	18402	12926	10153	7926	11986	15796	15033	27120	11102	1	11606	19669	16305	1	1	8219	13771	1	1
C19 H25 N6	1	23715	14229	1	1	16958	12147	13684	18828	15862	22759	13779	18028	12735	1	18144	1	18952	1	1	13477	1	1	1	9578	17020	1	20138	8267	10095	18781	1	1	1	16092	13129	1
444.1816@1.2592953	1	1	11252	1	1	1	1	1	1	1	1	74423	1	1	1	1	1	1	1	1	1	16260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
390.2045@1.1533791	1	29399	72364	41209	1	1	1	78962	1	1	1	1	72164	1	1	33629	1	1	1	1	1	1	1	1	1	1	1	1	19317	1	1	1	1	1	1	56372	43676
208.1492@1.2404943	1	1	16559	1	1	43188	1	1	1	1	1	19871	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12418	1	13714	1	1	1	11041	1
279.253@1.1993266	1	1	18666	1	1	1	1	14216	14344	1	15488	14832	11391	1	1	1	1	1	9215	1	1	1	1	1	7963	11302	1	1	7333	1	1	1	1	1	1	12441	1
Hecogenin	47650	1	29285	17506	32700	39736	39749	13917	29686	21795	31495	29719	42775	30814	23732	13921	20325	21482	37980	36215	30599	1	24641	29112	13126	1	1	27102	27299	3204	27579	1	21492	18948	8905	18115	24971
3-ketosphingosine	1	1	38672	30038	9763	1	18835	12337	29589	32336	22082	6502	12617	27241	6985	1	1	1	1	1	1	16641	44416	12719	1	31010	32761	9999	1	1	39496	77948	6934	7212	1	25508	13274
Rugosal A	37422	46664	80694	39043	1	67740	1	39306	48605	46068	69276	51509	51339	61803	51189	41790	42729	35247	47744	58885	1	41500	43097	53475	31280	70912	74841	45738	41550	47277	34362	34474	32713	1	26742	40855	48867
C31 H54 Cl N6 O	1	1	101584	16432	1	1	38783	22562	1	7571	46042	1	45311	12711	15764	17362	1	16474	27802	1	1	24584	50920	1	13632	1	31629	1	12960	6288	17169	1	1	6939	1	21377	18017
411.2825@1.2215742	1	1	27297	1	1	11597	1	10387	1	1	13449	18777	17405	19438	1	1	1	14939	1	1	20807	1	16898	1	15580	1	1	1	1	18745	42580	14521	9257	1	14255	23795	14704
290.1519@1.204	1	1	9912	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H21 N10 O2	38907	37223	61988	25361	35059	32917	21342	18152	30089	24366	23933	36050	22453	22698	1	18878	19896	26353	22593	28277	30040	25475	23671	28928	20875	39846	32084	26177	29065	16674	36571	15518	22932	1	16276	29150	16360
C16 H28 N7 O2	133255	564328	469904	316622	1	373951	442260	301250	386825	410804	63422	388675	1	274888	1	399061	336778	397285	1	387247	266210	467893	326336	67853	45018	392963	1	323466	1	376449	321518	346778	370330	307921	370061	391778	1
C21 H35 N2 O3	880860	4640	77422	65195	217980	1	165221	84666	1	1	47855	9577	70994	22777	449660	56539	23170	129938	51707	33390	1	118919	21029	38386	100646	167643	253549	1	19151	40124	1	1	37223	17322	1	98484	172522
C26 H55 N O7	18199	26887	53662	53080	28337	34125	25608	17494	43994	35832	41682	22591	35124	25768	21514	32554	30309	25632	26289	32337	28531	25711	37454	29073	22532	34610	52612	23442	23800	27000	33066	21938	20102	20732	32184	36152	17205
C16 H45 N11 O S	17702	36319	35928	986496	47462	27307	40679	30704	34165	38632	33408	37565	47131	23052	31233	38449	19739	40938	24894	27833	28518	27359	29816	29765	45732	1	40692	26300	23547	46392	24564	29809	35701	39960	40496	37927	26339
289.2225@1.2108583	15669	1	45383	3656	1	1	1	1	1	5580	1	11352	11065	1	1	1	1	1	1	6433	1	20882	1	1	1	1	1	3625	15095	1	1	1	1	1	1	1	1
282.1801@1.2060285	1	32184	47485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H49 N O3 S2	35098	32488	29307	27545	33587	20897	38059	21914	26485	37160	28840	27066	31677	34364	31126	19792	27756	20752	21888	26255	23119	26035	26603	32360	21836	24917	28058	15845	18911	24303	24857	30403	21876	14871	21643	29277	18699
322.1416@1.206893	1	1	28690	1	1	1	1	1	40433	21363	1	32453	1	1	1	1	1	1	1	11169	12709	1	1	13805	1	1	1	1	1	1	6642	17693	10038	1	1	1	1
407.3015@1.1563243	1	1	15545	1	1	1	1	1	35168	1	1	1	1	1	1	1	1	1	1	1	1	1	88445	27122	1	1	1	52314	1	1	1	35646	1	1	27238	1	1
459.2559@1.2147347	1	1	15694	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36826
C19 H36 N7	128273	374078	271433	566330	272601	206004	221717	196301	236373	1	202651	246085	282496	331467	208306	198327	285503	228230	248817	182465	275428	207680	78425	221130	251011	226270	272042	151226	162124	142160	157528	208557	219120	191703	154015	273680	184526
C16 H35 N O4	108058	108164	78285	77568	72492	89815	91972	1	104455	69846	1	74767	119796	79879	1	1	1	76224	72438	86262	1	85974	1	78400	71648	1	79945	1	58216	108794	61150	37979	87262	56363	64587	55473	1
547.3754@1.1325403	35621	1	11346	1	26483	1	33820	1	1	1	1	1	1	1	1	1	1	33909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47426	22855
324.1939@1.2221473	263293	1	31030	21174	63523	1	60728	95224	1	1	1	1	1	1	91132	1	1	48946	58831	1	1	43170	1	1	1	51666	49397	1	1	1	1	1	1	19182	1	27750	38996
875.7926@1.1946062	8791	1	19962	1	27428	1	1	1	23336	1	1	6785	1	1	1	1	1	1	1	1	3752	1	1	10630	1	1	1	1	1	262473	1	1	1	1	1	1	1
164.0848@1.196495	1	16876	37153	1	1	25082	25625	1	1	1	1	21459	28555	4431	1	1	1	1	1	1	1	12864	1	1	1	1	1	1	13305	1	1	1	1	1	9127	1	1
Sugetriol	67757	45740	89606	1	37632	1	1	1	23234	1	1	76151	65226	31709	60290	21302	1	37944	26773	28301	35091	54520	23971	33002	1	48808	57388	1	1	1	17141	22780	18417	16893	1	1	74983
406.1992@1.2244563	1	7657	64697	1	1	1	1	1	1	1	1	1	47211	17414	1	1	35415	1	12815	1	1	125582	1	1	1	1	1	5878	22111	13423	7759	1	3306	11570	1	1	1
581.4602@1.1719757	1	1	5718	7019	1	1	1	17391	1	1	2932	1	1	4014	1	4634	1	7079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25647	1	1	3660
226.1205@1.2063861	68675	48376	178584	1	1	49755	88556	1	1	1	1	88347	61871	1	125663	1	1	41733	323824	448034	41799	71396	1	1	250756	1	24699	165435	319655	1	1	1	1	1	25821	1	1
200.1052@1.2084229	1	128797	457004	1	1	279906	236519	1	1	1	164672	161035	188108	58444	1	125961	1	53919	1	1	84502	150063	1	120592	1	1	160242	1	1	1	60884	98662	1	1	95623	1	74686
C20 H41 N4 O2	104115	259578	401879	1	400471	234049	434612	346780	645031	343053	255407	380622	237581	161770	82787	479985	244382	896155	283485	334278	252699	308844	277840	455676	351506	1655525	391325	355835	196793	260077	210659	186584	211029	109095	300436	318587	316002
309.299@1.2226372	1	6243	7755	10783	1	6916	1	1	8197	1	1	1	1	3876	1	1	1	1	1	8184	1	1	1	1	1	23521	1	1	1	1	8317	1	1	1	1	1	1
899.7937@1.2057016	1	1	4269	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	260902	1	1	1	1	1	1	1
128.0839@1.21	1	1	37159	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Athamantin + 1.2098414	1	1	87982	73756	1	1	1	1	1	1	48058	1	57762	99435	222159	1	126298	148257	1	1	1	110999	1	1	70100	1	97629	1	24070	1	18037	8459	1	1	15401	1	175892
242.1516@1.1612589	29744	12295	91416	1	28929	1	1	24168	1	15741	1	1	1	18662	1	1	9781	1	1	1	1	1	16043	1	1	1	1	1	1	1	1	1	1	1	1	1	1
479.3817@1.1925143	1	1	7922	15427	1	11099	3645	1	5412	1	10162	1	1	6899	1	1	1	1	12536	14626	1	1	1	1	1	13903	1	1	1	1	1	1	1	5982	7371	10005	1
Pederin	30306	44319	27796	28905	33507	18179	34845	19410	32582	29298	32575	23337	36449	36774	19913	19167	29003	18434	17914	20959	20220	24282	27360	20664	20746	1	28559	17583	18995	18780	22820	25351	17043	14651	1	1	17966
393.2514@1.1617278	1	21519	42189	7412	257898	1	1	1	24877	1	1	1	1	1	1	63965	55139	49449	1	1	1	93989	1	1	1	1	68803	1	57586	1	1	1	1	22340	23467	1	1
577.3968@1.212	1	1	8127	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H63 N O S2	1	1	6020	1	1	4529	12585	27115	10251	17507	7281	21515	20488	11481	7224	15759	1	9886	8419	1	6018	1	24209	7124	12897	12498	16172	4232	5917	35081	31209	5019	1	5653	18007	8346	1
313.2969@1.2153504	1	9935	7431	8668	1	1	1	1	5396	1	1	1	1	1	1	1	1	1	1	2161	1	1	1	1	1	1	1	1	1	1	1	2266	1	1	1	1	1
C15 H29 N O2	67063	127962	205855	38528	48988	174144	29097	1	166417	56307	82243	115220	51527	36302	18337	23891	33451	27333	26466	31188	128220	19688	88162	81360	30187	58624	48106	83473	38344	39085	194645	125229	85839	19637	43206	47829	29020
C13 H14 N7	35092	1	35839	16979	24284	1	1	25099	19453	27772	1	26037	24283	22223	1	20424	26517	1	33752	26548	24013	25849	13771	22267	25306	24816	32389	18818	21877	16178	20339	18466	1	1	1	1	23511
C35 H66 N2 O2	4122	21826	46812	32110	18602	22794	12641	11096	28226	12354	15654	20569	12522	12282	1	16424	12711	20181	8813	14254	17649	17463	22570	18692	10100	48616	9842	23680	8099	20307	36539	8036	20234	6261	17668	27770	11731
C20 H37 N O	60552	106819	76205	171919	123910	80504	172815	146753	1	136016	111080	124071	86083	82870	82754	152414	128839	242282	81682	112740	70103	101891	143826	115461	1	1	129183	142768	68381	1	110464	91212	91468	60217	1	147627	89877
586.5043@1.2151711	1	1	6826	1	1	1	1	1	1	1	1	4148	1	1	1	1	1	2646	1	3401	2520	1	1	1	1	6265	1	1	1	3374	6832	1	1	1	2917	4157	1
473.2995@1.2136933	1	1	19909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12189	1	1	1	1	1	1	1	1	1	1	1	15442	1	10971	1	1
C30 H43 N2 O2	7346	1	23445	20233	1	29980	26064	1	27767	20604	27064	25813	29706	23909	48016	21798	25571	36139	22011	17939	33260	1	1	1	35097	1	14714	35909	29181	26901	19086	21880	1	68961	31159	29082	71495
623.3924@1.1550753	8211	1	4296	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5984	1	1	1	1	1	1	1	1	1	1	1	1	1	1
296.1259@1.210704	80282	1	23903	1	38522	13398	82243	49781	1	1	1	7383	25453	34319	136372	36908	40583	52534	41150	1	1	42920	1	1	1	54724	52857	1	1	1	9011	1	1	1	1	32365	53128
C16 H31 N4 O	1	1	85969	147715	1	1	74487	85810	1	102719	76583	71641	71016	56746	44526	58711	49968	78522	1	82630	46206	1	102851	56290	1	88879	64459	90760	40492	41565	105524	61347	54783	33741	1	1	30204
C27 H41 N2 S + 1.2167214	79058	128823	100666	131296	99539	70961	99698	105400	86974	140421	106026	130481	169868	102344	88192	89406	78913	107684	117010	104406	99818	121201	135725	83250	104827	125638	86283	61742	68167	108802	87155	94341	88674	1	150875	120115	1
C20 H39 N4 O2	69209	126128	221903	1	231782	132095	188301	201527	392537	212648	193708	239445	54157	79101	69880	239948	109044	453381	124669	229774	123784	206570	154261	243310	104812	1111655	311873	1	84526	62515	1	117599	178883	80386	193469	161427	192183
471.3534@1.2199404	1	1	9990	11207	1	1	15922	1	19232	1	1	1	6379	1	1	1	1	1	5849	1	1	1	1	1	1	1	1	1	1	7085	1	1	1	1	1	1	1
269.2348@1.2143781	1	1	16793	1	17059	11562	12215	5934	15456	10540	1	1	1	1	1	1	11201	8779	8705	1	1	1	14619	11251	1	14323	13849	1	1	12266	13761	15006	1	1	10478	10067	1
423.3222@1.2172904	1	1	20937	56752	16022	15536	18180	1	1	1	19769	19333	17684	1	14010	1	11634	28687	1	13124	1	1	1	15900	13740	24723	1	17519	1	1	1	16524	1	1	1	1	1
427.2575@1.1685791	1	1	21692	1	1	1	1	1	1	1	9367	1	1	1	1	6955	1	1	1	1	1	48078	1	1	1	1	1	1	1	1	1	1	1	8032	1	5947	20396
493.3242@1.217	1	1	8627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
316.2035@1.1304699	1	29969	26539	1	1	1	1	22824	1	34745	1	59087	1	1	1	1	1	1	84257	1	80998	1	1	73005	1	1	157339	1	66546	1	1	65729	25173	53721	36866	1	1
N,N-dimethylsphing-4-enine	58141	61291	87663	24727	70457	43033	84085	41570	41726	33303	34117	41481	44243	31777	27424	36276	39991	36815	36962	39555	39477	26660	26384	65269	32241	42346	43472	32689	44014	16595	32711	26792	20293	30201	35742	36269	25323
106.064@1.2185737	1	116931	111956	1	1	75659	1	1	1	49140	72509	1	1	24842	1	1	1	1	58577	1	1	1	1	70565	1	56426	1	1	88734	100062	1	1	70230	1	1	1	1
C34 H54 Cl	1	14441	10637	1	1	7854	13429	9153	16030	8869	10708	12289	17628	12045	1	1	5028	1	14783	1	1	10927	13383	1	14069	6908	21615	11779	1	1	8738	11192	9715	10681	16014	12913	1
N-oleoyl ethanolamine + 1.2216221	115179	57651	97361	34381	92213	49682	141136	79440	195970	43031	1	74417	93151	53121	55064	15633	52396	12463	54092	41505	87452	61026	37731	94966	168533	300497	66112	53212	98005	100828	52682	64355	91031	55378	246778	60706	34505
C8 H18 O3	108869	432760	293425	111128	94878	225632	166018	71333	1	116841	193581	259646	172496	185314	66928	119366	135007	123055	112074	110146	168012	135697	96329	147068	105973	101875	145214	117269	124606	104786	125017	132526	104651	38903	129337	105004	27631
302.2092@1.2237694	1	167204	197653	1	1	243440	1	178988	1	1	1	216271	1	109629	1	1	102272	207931	1	1	134927	1	1	1	168177	179545	143255	202013	140098	185322	136450	1	172843	173962	161658	141517	1
100.0887@1.220436	1	13354	11513	1	1	1	1	1	1	1	1	1	1	5847	1	1	1	1	1	1	12693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H29 N8 O	1	38931	51412	34040	68805	1	1	54963	1	177091	54246	53028	80516	1	30160	170783	36155	70581	5655	201938	42589	62282	41324	167814	35854	1	1	42284	1	27293	29702	206526	54654	37351	46205	47023	1
C25 H49 N5 S2	1	17804	13550	112117	1	11699	25396	15660	1	24741	21151	22515	8207	28746	15123	22519	15302	13017	20264	13898	24848	1	28312	22032	18527	18024	1	15679	1	13982	18850	1	16948	15740	21138	21567	1
C18 H38 N6 O4	1	30915	38522	27816	44393	34559	37495	31172	31825	24425	13969	41910	46591	27930	116946	29116	22839	42767	25837	24908	49259	29027	25163	31064	47317	1	29011	41076	28114	12772	26585	30052	44496	14708	16018	35485	154617
267.2194@1.2366378	104913	1	36034	1	24803	1	1	33749	38087	1	1	1	31691	1	1	21143	14244	1	11090	1	45087	27755	8655	23160	1	1	1	1	15323	43993	1	1	1	1	1	1	1
173.0475@1.2278621	1	1	12336	13045	1	1	7240	1	1	11151	40459	1	24240	27347	1	16801	20527	1	1	1	8127	18920	15212	9531	14341	1	11918	1	18846	1	14132	22646	15972	29611	8597	9612	1
208.1103@1.2179431	1	30354	41699	27478	1	1	1	1	1	1	1	32485	1	1	21488	1	1	1	1	1	38620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38870
400.3314@1.2058893	10350	1	12881	1	1	1	1	1	1	1	1	1	1	1	313367	7521	1	1	1	1	1	1	7566	1	1	1	1	1	75255	1	2463	1	1	1	1	1	1
C12 H15 N5 O8 S	36248	17599	16901	21282	1	11246	18648	10015	16306	16453	15784	17518	19242	18644	17098	12669	18410	14634	11139	13177	20216	19462	16611	15863	14704	1	29251	13935	1	16681	17468	12437	1	1	1	1	1
389.29@1.2233632	1	1	39452	1	1	47673	1	1	91057	1	1	1	1	1	1	1	25080	1	1	1	1	1	1	1	24696	1	1	54488	1	7824	1	37603	1	18420	1	1	1
261.1589@1.2103847	22478	1	27127	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H23 Cl N7 O	48533	1	58549	73334	1	1	50542	1	1	27205	1	223620	241577	34381	106389	1	1	29505	1	1	117578	120352	45813	71507	1	62442	1	1	59448	47449	1	118886	44105	30285	1	1	88441
C22 H45 N O6	1048049	3984381	5337282	3787163	6497400	5407947	4958047	5244768	4228174	3169706	5682474	6327874	6999637	4412204	3775150	4509166	3992196	7113861	3346934	3089571	8288694	3209219	3227208	3629569	7360478	3990423	2959467	6215123	3390544	5581154	4005441	4123682	5765733	5617353	7047266	5460962	4395958
C28 H45 N2 O	17556	48836	43300	31840	1	40524	1	58614	8308	6591	1	7524	28978	4074	34760	8512	1	53257	44416	38084	1	6943	5919	49111	25636	67427	21736	23992	25825	1	6235	24441	13084	1	48594	108497	86049
126.1042@1.2204045	1	43075	106946	1	1	1	1	1	1	1	25741	37293	32617	36278	1	47294	1	1	1	1	1	27697	1	1	37460	1	1	1	27341	1	1	25913	1	1	1	1	1
C25 H47 N O6	45879	63712	84599	81968	79264	50413	81854	45835	188233	75118	74346	45192	1	56629	59588	49464	62218	45003	49186	43446	1	1	1	42262	45831	58257	51854	43937	41595	63480	58868	39913	46335	37552	40949	62361	52877
C23 H42 N7 O	262707	381745	278811	253434	450607	240194	300890	142451	267189	176736	319121	109380	332647	298113	202549	206404	245290	232180	231887	281480	292877	199325	199993	329759	235030	148753	336743	237599	246042	333079	198958	164271	56921	304583	209701	199378	292685
C32 H62 N5 O	1	1	9849	8540	4025	2913	5183	4401	9649	3790	5070	6129	4301	3559	1	4745	4150	7900	1	4320	4471	1	3955	5336	3423	19072	1	4492	1	3800	5147	1	3752	1	1	7918	3148
449.3712@1.2098972	1	1	135831	37371	1	1	1	1	1	1	1	93368	1	1	1	91271	1	1	1	1	1	1	25307	1	1	76063	1	1	1	1	1	1	60949	1	1	1	1
21-Hydroxy-5?-pregnane-3,11,20-trione	16013	132305	90746	116515	1	113995	1	36147	181939	213003	168074	122280	143005	133536	24556	97538	85634	102609	147513	151794	120711	1	101474	127098	43280	113788	139569	187323	62666	1	162848	120292	136250	58285	166602	108676	52461
C27 H55 N8 O	8012	17646	17914	23770	14374	16717	8312	1	28508	6249	8410	5995	7200	7676	1	7444	8383	4274	7815	5024	1	7468	12540	7064	13205	13858	17612	7722	10187	13195	7839	1	1	4634	7176	7760	1
C34 H58 Cl O2	7619	15230	15526	26065	38073	1	21170	9602	34555	13109	1	19613	28422	25098	7175	19520	17286	1	34942	22270	28259	27327	37123	12041	18076	1	17048	1	1	21239	21013	18456	1	14406	13592	17050	1
17,20-dimethyl Prostaglandin F1?	1	1	41658	28899	71160	28567	36970	37239	1	37715	35292	35287	36957	26126	19824	1	26191	1	1	28869	39977	1	1	1	45840	1	1	34537	1	28565	1	27702	28829	1	38503	31480	30358
3-ketosphinganine	73608	77470	102220	38582	97936	45631	108626	56017	45297	41331	42693	67660	78553	39836	43345	40371	43567	42946	40928	42874	59759	48234	34643	76554	39487	56748	62413	49387	74693	20752	49286	43214	33143	52829	40656	44371	37140
C13 H29 N4 O	22181	1813564	21322	38993	28791	19226	22465	15596	26076	31412	18468	19578	22383	21264	16651	20476	25423	17553	30138	1	16752	21734	25078	20004	21492	20437	28456	10630	16814	13646	15565	1	15741	15901	13761	31722	16077
253.2045@1.2440645	1	40696	109817	46548	74294	54334	69768	54902	86211	1	1	1	43523	60529	1	70088	1	1	1	1	1	32452	1	1	1	59798	1	64751	1	40358	106570	1	31194	1	1	1	1
285.2407@1.240508	1	34338	38268	1	1	25186	1	1	25275	1	30911	1	1	13724	1	1	1	1	1	1	21051	11826	1	13106	1	1	1	1	1	9143	46997	20327	15573	1	1	1	1
240.1727@1.2317706	55191	1	42519	1	1	1	1	1	1	1	48650	160092	158107	1	69632	1	1	1	1	1	53650	133325	1	47034	1	1	62996	1	43416	1	1	60281	1	1	1	1	68900
404.314@1.2425439	51764	72017	58762	5825	13910	45503	1	1	7017	1	1	1	7106	6113	1	1	35244	1	1	1	6228	1	1	46109	1	6604	57387	1	1	49579	6703	1	32294	1	5006	36277	52960
112.0906@1.1797882	1	1	21098	1	1	1	1	1	1	1	1	13777	1	1	1	1	1	1	1	1	76499	1	1	1	1	38191	1	1	1	1	1	1	1	1	1	1	1
C31 H43 N2 O2 S	16627	19422	29054	26679	27720	22942	23395	18819	26340	31461	28917	31346	35420	30793	22619	31486	24676	1	20140	20000	26178	31268	44574	31877	19017	17472	26497	15045	23829	23345	34544	24786	17650	18584	46333	22960	15223
435.248@1.274153	1	1	14902	1	1	1	1	1	1	1	1	18148	1	1	1	1	1	26885	1	1	1	1	1	1	1	1	1	1	12800	1	1	10295	1	28752	1	1	22813
443.3221@1.2006217	1	28387	8167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14201	1	1	1	1	1	1
C10 H20 N5	201957	170960	669856	1	43691	565409	353092	27165	1	1	1	1	68162	51959	38162	47673	50455	1	1	1	1	60321	77144	77795	1	1	49983	1	49722	27658	1	1	1	44081	50306	54133	42551
C13 H36 Cl N8 O2	95548	1	27599	47764	49454	1	42679	30776	1	1	23521	32970	47670	1	18607	21149	16876	11945	65913	13070	1	67712	1	10286	29694	62511	59217	1	1	1	1	14813	1	17844	11078	24404	30495
alpha-Ionone	55028	56968	159186	30822	1	100053	1	1	82764	59410	8832	81634	74794	29419	43161	45483	23436	101763	45788	48987	98168	1	58385	53177	22565	1	33805	69908	47125	52674	126210	106458	33855	21056	33612	1	55008
C14 H27 N O2	38811	71301	109179	1	55323	1	49268	1	1	1	76360	73145	69929	56711	1	43755	58755	1	1	1	1	56438	67539	1	1	115215	1	1	49458	44893	91150	104464	62333	48224	58131	1	51556
C18 H39 N S2	68688	60983	91699	43947	78725	111154	95358	77797	82348	45467	97494	97046	92534	40570	66852	80613	67679	84812	32352	76916	83655	52522	36259	62875	71092	50673	68180	92344	65015	89131	48633	91170	81984	83169	85308	48388	79058
C13 H25 N O2 + 1.2390875	815422	2595574	3635212	1151113	926086	3067982	626496	443614	3114558	1571207	2135310	2252689	1122783	1162071	371624	777270	985097	695923	579851	1076580	1	937948	1882349	1862706	899294	1240813	1073075	1	1102711	1256833	4183590	1	1	872682	1112951	1153764	875999
164.1558@1.2417554	3283	1	13246	1	4388	1	4604	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6317	5253	1	1	1	1	1	1	1	1	1	3771	1	3994	1
C21 H39 N O S	49613	66068	58649	56657	1	51797	71746	51116	69318	56706	63690	1	57571	1	50988	43596	40755	51415	30748	49022	1	71517	53801	56829	55257	64890	56718	42264	35963	39798	32104	49573	43735	38849	45711	50365	46303
C15 H37 N4 O4	1	59752	29753	1	1	34959	29838	1	53559	1	49408	46036	55867	22712	1	21952	91827	20305	19784	18075	16584	37353	31999	23524	33251	1	1	13910	18803	37427	63471	1	23561	20045	21011	1	1
C25 H51 N8 O	12008	27513	24737	37024	15794	23705	1	8876	46423	15787	1	8167	12293	11068	7110	11577	11248	1	7738	1	6993	9193	13620	10256	20668	64733	25853	11907	16532	18220	11356	1	1	9399	9689	12967	10924
344.1985@1.2389364	1	1	21655	13897	1	1	1	1	1	26006	26063	1	18559	1	1	1	1	1	1	1	1	18961	1	1	1	1	1	1	1	1	57508	15168	1	1	1	1	1
222.1621@1.2303994	29494	1	30770	1	1	1	1	24739	20701	1	11337	1	1	20519	41376	1	1	1	42311	1	1	1	1	24475	1	31383	1	1	19534	1	1	32701	14523	1	1	1	46421
565.4556@1.2441993	7912	1	36219	38059	22143	26160	1	1	41450	1	1	1	23078	13315	6511	1	16261	1	1	1	20689	1	22834	27223	22256	1	1	1	1	1	11519	17049	7724	22349	17489	1	11954
C28 H53 N O S	37531	79766	123829	230253	76555	61325	52752	37223	67104	49489	62689	42934	59349	125684	34347	72290	75581	29624	98450	98711	79056	39178	149813	54546	67532	55865	84615	40670	34340	64244	48890	42760	34122	63670	42469	61475	39362
C23 H45 N S2	1	39399	54071	65261	56870	1	40208	63452	52835	57541	43108	53084	36749	1	36681	76605	27570	1	47615	63616	27582	63769	1	53195	57421	181294	33119	35933	22656	47866	48649	49302	39056	43113	59302	25983	38370
Cuscohygrine	1	19209	54425	72036	13963	17222	11497	12077	42382	16407	34384	1	1	1	1	1	17709	1	1	60488	1	7013	11863	15239	16004	22212	1	1	1	1	1	1	1	9297	8606	9732	1
Dihomo-?-linolenoyl-EA	50976	1	154769	172387	152292	87016	112544	97944	270989	122681	89425	117717	71233	57607	41042	116272	77633	227978	62202	109005	89729	94917	93978	130640	89325	536233	139113	117796	51690	62767	124864	88636	90528	47522	84415	99086	95414
C4 H8 N2 O4 S	444507	597203	400723	582039	1	219795	389706	1	430228	506476	1	1	403065	427014	373746	308251	434233	297652	293381	376788	385388	335343	298288	321831	413425	404202	327881	390553	325894	397690	421049	394064	1	255257	216232	170230	186516
386.3078@1.2525314	19519	1	36424	1	48531	1	1	1	1	1	1	23358	26202	24302	22270	1	1	1	1	1	1	1	1	1	1236	1	1	1	16425	1	1	1	11304	22209	1	17582	1
411.3185@1.2338243	1	20388	14276	1	1	1	1	1	1	1	1	1	24948	1	1	3201	1	23445	1	1	27944	1	1	1	1	1	1	1	1	1	1	1	1	13628	1	1	10590
518.4799@1.244916	1	4313	8354	1	1	1	4039	1	6781	3140	1	1	1	1	1	1	4476	1	1	5545	1	4918	1	1	1	1	1	1	1	1	3742	1946	2272	1	1	9659	1
122.1094@1.2325188	1	19387	21025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H42 Cl N6 O4	19890	11735	15868	14641	1	13058	1	1	18796	16627	13069	15996	14554	15874	14458	13553	8538	10806	14099	12756	14598	20001	30467	15747	19450	14015	12698	1	12951	11001	20245	12295	11678	7994	21631	16332	21027
3-oxo-dodecanoic acid	74094	1	13295	13452	1	1	27824	36597	1	1	10960	1	1	4385	22541	13209	1	26552	16786	1	1	1	16546	1	6527	19139	23267	1	1	1	6035	1	1	1	3439	15164	16311
506.2203@1.1926104	1	1	4067	1	1	1	1	1	1	1	1	1	1	1	2638	2172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H46 Cl N9	53407	1	120488	1	151930	68081	123273	60333	126214	150893	59553	136412	1	232656	66550	133797	169244	46132	154140	93532	174919	136560	318189	93874	135638	76697	150448	10761	69925	227633	86316	81196	56586	1	64513	103937	70362
372.2773@1.2497596	1	78343	26640	25750	29156	1	38355	1	20241	58576	1	1	1	51849	22867	1	1	1	1	22872	15210	1	1	10437	34090	1	63905	1	1	1	1	1	36835	1	1	55025	1
C28 H60 Cl N3 O4	7431	20892	30073	50989	30450	19321	1	1	35319	25972	24212	15450	39940	27095	24015	16056	15070	2702	29020	1	43702	16069	45537	40883	26434	20195	42537	17078	21679	20921	24276	12984	23831	30596	25647	1	16890
C7 H10 + 1.2492744	38714	45605	61121	32095	39508	53576	39238	1	47814	33172	55745	37108	31253	32623	25892	1	32920	32099	1	28568	40515	57584	34157	43637	1	52116	42913	37561	41371	30082	50703	54697	26723	21045	32760	1	40028
C18 H33 N O	49266	46031	27762	77183	51058	50905	69370	61771	43284	1	36717	26496	77071	1	50875	39798	35480	1	31717	35353	21653	36905	1	43081	33457	36813	37049	44602	1	23739	44336	45041	1	25192	43041	1	1
C12 H23 N O	187990	203858	180871	152347	162775	182189	177233	113950	177007	145639	157219	122400	162576	1	148390	131152	123477	149393	149537	160297	135598	178920	129916	146088	162394	177530	148412	158652	157336	153478	132321	128031	111363	147469	140469	139593	147127
523.227@1.2535368	1	1	3604	1	1	1	1	1	1	1	1	1	1	1	4255	1	1	1	1	1	1	7212	1	1	1	1	1	1	1	1	1	1	1	1	1	2226	1
C12 H23 N4 O	36719	1	67609	62926	66073	1	1	54467	126736	49262	48105	1	44739	76056	1	66041	1	77542	1	36036	1	56996	41544	42900	1	89621	49075	53986	1	34013	69053	47472	35213	1	39855	50419	35997
C42 H85 N4 S3	1	15979	3013	5523	23932	17272	1	1	13248	7613	10713	12081	10037	4712	4970	8883	1	10206	1	8642	11673	1	8691	9339	12185	1	1	14884	8371	13695	9853	11191	13737	1	10600	6559	11516
C15 H26 N4 O	1	21411	18566	1	1	36338	1	1	1	14072	16362	1	1	12423	1	14883	6797	1	1	14222	9312	1	10557	1	1	1	11412	1	1	7426	9231	13886	15421	1	11034	1	1
C20 H44 Cl N2 O S	1	3799	95260	166638	1	39944	91571	39279	85135	47119	101217	84071	114694	69560	35486	124536	80982	77017	43617	56394	47553	1	50709	77750	85097	1	123866	29435	60826	43900	125332	41136	22590	74014	54808	51652	86611
597.4784@1.2249612	17358	8717	11609	64953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8755	1	11686	1	1	1	1	1	1	1	1	1	1
C29 H55 Cl2 N3	1	50710	8034	1	1	1	1	1	14632	9929	7587	59050	1	23991	35296	9713	1	37707	6738	41408	6394	1	5625	5956	84896	7746	7605	11863	6603	13792	44142	44861	43385	44483	4289	8753	9985
C22 H45 N O3	149285	336488	482781	646292	318480	350950	408018	534053	476877	532953	374032	372405	220830	195601	283998	594128	351148	813147	429329	462428	372112	358175	365510	467257	490815	1048788	350369	380684	263404	687500	493597	253676	255591	305199	543796	750310	706950
C29 H49 N5 S2	15159	19163	20308	21164	1	15385	21509	12311	18371	1	23942	21477	25562	19256	20940	21103	15735	21462	14423	20475	15931	1	1	1	15911	13440	17353	10434	22347	17189	28087	19957	1	10773	24180	18511	14711
271.2496@1.2417877	1	1	8281	1	1	1	1	9557	1	1	1	1	1	1	1	1	1	6486	1	1	1	1	1	7072	1	1	28350	1	1	1	1	1	6272	7896	1	4162	1
C21 H35 N2 O2	426993	1	132162	1	291602	1	121734	80721	1	16320	142549	23693	154189	30745	203212	64950	71783	83818	64316	53874	20237	292667	19977	1	13992	197813	217299	1	42519	35516	19135	17158	1	30610	21649	39401	96581
270.147@1.2513431	1	1	58269	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56240	100474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H24 O S	1	1	29238	59005	38629	42878	48709	1	32536	38145	75304	1	44226	31351	24560	27522	24235	1	32101	19200	26174	37674	21380	30623	53627	55136	1	14024	31517	61166	36884	57817	25256	26204	32033	40370	40895
C15 H37 N4 O S2 + 1.2526774	64937	57908	53692	54248	1	49832	58347	35889	65305	50796	68543	1	58552	43257	53671	52460	34870	54800	55421	29935	1	56377	1	48141	54517	41552	60735	35958	44675	41483	69355	49219	36508	37329	53937	47659	30494
493.3592@1.2528877	1	1	22001	1	1	21137	1	9005	1	1	1	1	16341	1	1	1	1	1	1	1	1	1	1	1	1	13396	1	14609	1	17362	20408	1	1	1	1	1	9933
206.1553@1.2537255	169052	745892	1077541	1	282548	547315	391154	1	1	1	347550	460383	402486	209094	325359	1	234566	1	196360	1	305740	319966	1	220931	284925	1	259897	1	210020	1	218815	1	1	1	275730	1	1
C32 H67 Cl N3 O2	1	1	14588	23204	10774	1	10995	1	19536	1	8042	8574	7037	5587	1	13226	1	17012	6285	14857	6950	13050	4747	13755	11193	44008	9835	1	1	8603	10235	4481	1	3545	11581	9119	11800
C27 H51 N O7	63110	75780	106476	91769	82694	1	83032	83480	1	84909	69032	63133	64630	64869	69361	49209	71618	64241	55986	57590	59824	65172	66892	58529	59042	1	67961	57396	59395	68407	72852	55169	59009	56441	55121	66902	53513
C27 H55 N O4 S2	13483	29759	36405	24206	34614	24125	34808	18520	22315	23197	22869	35604	28556	28873	23192	21163	19834	21532	19870	21731	30324	23775	33172	36872	30862	19518	19570	22736	1	24367	27269	18721	17025	18979	37445	23652	18245
269.2003@1.2549338	1	18274	21314	28453	46058	30996	20955	24419	1	23728	18775	1	1	19860	1	1	17745	40841	1	1	1	35322	1	1	18360	41168	1	32091	15654	23403	1	1	14042	19534	18729	33578	1
C28 H46 Cl N7 O2	17290	24094	24165	23371	19719	18895	20417	18966	21300	25466	27044	16904	30724	31583	21645	23744	17039	22395	10637	16396	19637	22981	22539	22923	17608	14136	20326	13159	16639	17639	29720	20004	13336	13535	31205	21503	16646
C12 H23 N O2	326089	608688	973462	437106	334269	650827	299625	241609	679089	433670	16994	388327	395631	415507	204042	293082	380062	305102	199921	321339	579343	342307	525753	468882	356986	478512	360223	489272	390021	326006	954032	696615	391522	319691	334314	308042	324069
396.3306@1.262402	1	1	9081	1	9619	1	14390	6936	1	1	6581	1	1	1	1	7907	8738	7985	7946	8292	9890	6589	1	1	8045	20428	1	7508	1	8398	1	1	1	1	12560	1	1
C14 H37 N7 S2	428399	1	44923	28936	27719	24714	49402	1	71691	1	42254	26664	28857	53079	323511	34539	1	23694	255925	26742	39294	30893	42743	262355	48578	18022	349379	1	274360	25190	25680	21879	1	49744	1	1	15051
345.1815@1.2511612	1	23421	17980	1	1	1	29658	25025	1	23657	1	1	1	1	14787	1	21606	1	1	23361	12320	1	6615	1	20464	17384	1	1	8764	18043	1	1	1	16052	1	25428	1
504.4623@1.2483267	1	1	2928	1504	1	1	1	1	2375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H29 N O3	34612	65343	62059	57969	61567	1	52909	36675	58597	49247	50539	40080	55858	59096	53602	56930	58607	74957	46136	67640	44886	42974	1	39845	86207	67304	48582	70849	27204	55901	50545	59358	27550	48194	37096	47264	1
699.5503@1.2550569	1	1	8095	13290	11339	1	1	1	11758	1	1	6946	11418	9510	6717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15841	1	1	1	1	1	1	1
Ruscopine	1	507475	461744	249558	385277	398767	453482	282049	311875	378053	529810	411485	483114	231512	359107	445033	315997	372649	278409	412493	320477	379464	28680	320463	56334	428907	305018	384607	280564	430481	339903	373285	367879	342648	464658	398779	300124
Propofol	1	13988	40564	19080	15049	29666	1	1	18664	9049	1	1	18176	11380	1	15512	10911	15502	1	12367	20787	15721	17400	13107	12093	17672	1	1	20261	1	21616	1	14433	8703	14749	1	16350
Dodecanedioic acid	72733	1	71496	1	42707	71365	1	36413	1	34690	117357	1	1	1	69139	62751	1	1	1	45505	25687	1	28999	1	36617	1	63383	31235	1	53925	1	62371	1	39417	37947	28022	53445
C21 H37 N2 O4	54021	129837	161297	1	110736	116972	150340	84133	114735	116687	123969	141504	163007	117617	86724	111375	103082	121849	83783	90183	141622	134226	90319	87205	142597	251208	128624	83083	98613	162639	111766	125050	96454	105451	182363	142947	106754
405.2861@1.2404951	1	1	27456	30307	1	1	1	34713	1	1	1	1	1	1	1	13054	1	1	1	1	1	1	1	1	52286	108108	1	26049	1	1	1	1	42587	1	1	1	1
188.1439@1.254	1	1	141812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H18 O4	1	155089	141933	1	64658	225314	106736	1	21030	75359	63992	1	76499	36072	96264	47639	29928	55398	70548	13575	117030	98380	85844	53011	1	54490	1	64185	24788	72194	37288	75311	79001	42763	52129	102471	51555
Heptanoic acid	8515	45825	91122	17333	1	1	19971	1	7521	1	20644	1	26115	11006	1	9885	1	28310	11761	10749	21713	1	1	14682	12724	9034	13815	9372	27828	7615	10637	11475	1	1	14846	7074	12406
94.042@1.2525893	1	1	37413	1	1	51843	19297	1	1	1	1	24240	18151	1	28027	1	1	1	1	1	1	36551	1	19278	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H55 N O2 S	49318	81632	64332	152961	83605	57671	51973	38114	75841	42264	46531	48823	51863	86911	40657	49838	85157	41789	65206	48973	68070	41806	93496	51320	68737	63146	58326	42907	35845	69999	61982	44377	28372	43019	32285	47412	36915
264.1925@1.2566583	17181	19675	23906	1	1	1	1	1	1	1	1	1	10288	11803	1	8368	5652	1	1	1	1	1	1	7203	10287	12311	1	1	1	1	8842	1	1	12265	1	15341	1
C37 H57 N O3 S2	15309	18093	16079	15577	1	15728	16181	16489	17444	14116	16614	14434	15474	14268	15860	13135	14136	14167	14068	12088	11902	19513	16651	13939	15964	15176	16063	14496	16434	16653	17308	14867	11894	10553	11211	11040	13066
C25 H55 N14	11875	30846	25398	33271	25139	23619	14526	8860	40539	7823	15955	19853	18543	11596	12334	8820	14578	8315	16145	1	1	14955	17261	1	20858	17138	24477	11539	14479	12630	16368	1	1	12066	7207	21278	1
276.1598@1.2552048	1	1	28222	1	1	50106	53558	48491	1	20595	55162	18913	1	1	55438	36672	35024	49287	20885	40927	29492	26158	1	17315	21886	33365	1	25413	16601	38590	1	40790	39455	41162	21934	31801	48137
C41 H71 N S2	13519	15002	18030	25078	1	16483	13127	11513	23188	10380	12814	18536	13326	1	9792	1	10548	15668	11680	11858	16315	1	1	1	1	23502	13200	1	11806	17581	1	1	10561	1	8234	11245	12036
561.3547@1.161399	1	1	8320	16354	1	1	1	1	7744	1	1	1	1	1	1	1	1	1	12852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H57 N O2 S	29393	57236	83267	165071	48702	37887	36869	23175	48030	27189	41883	28276	35363	44469	21206	27782	42250	23229	28722	52221	32418	21557	46436	30972	30665	43231	35445	25948	19172	27609	34887	22325	18595	26895	22444	26249	29604
C14 H27 N O3	44231	49155	59768	68593	72040	84024	112846	46334	63387	47862	1	1	53458	84256	78734	56160	112955	76024	44121	58084	92484	60296	54375	63396	107377	135265	61227	81721	64737	55150	65507	68158	37078	88173	64598	54260	74578
C23 H51 N6 O3 S	11502	1	16360	1	35001	6324	24662	8635	51038	23867	32892	40428	15679	35906	7223	1	20831	17412	39460	1	34507	34299	39392	39219	27754	12909	40687	1	1	13314	19575	25385	36391	8543	34776	20475	21867
681.5021@1.2466743	1	1	4619	13808	3101	1	1	1	4162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7413	1	1	1	1	1	1	1	1	1	1	1
785.6176@1.2558138	1	1	6609	1	1	1	1	1	6623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3527	1	1	1	1	1298	1	1	1	1	1	1
335.3181@1.2542113	1	1	46415	1	54472	1	1	1	68841	51856	1	1	1	1	1	1	1	133756	1	48709	1	40259	1	1	1	174620	44954	1	1	48008	1	1	1	20444	1	1	1
?-Captrolactone	202523	276496	368641	42426	147343	539845	193788	80291	27147	1	242251	145776	47153	92147	214498	104702	32508	93065	87283	73899	120126	83983	71514	241778	90853	117552	29024	97432	25629	73651	80762	37309	29515	35089	74446	65603	107974
775.4669@1.2572751	20367	21772	18011	17610	20895	16404	18236	16084	17686	17683	19395	16170	18340	16157	17321	16449	15281	14821	16112	14773	16429	1	16320	17784	18768	1	16944	14431	17650	15522	17636	14782	15379	15115	14778	1	14524
523.4436@1.2572584	15099	28597	28997	42207	18754	46560	50187	1	55063	35893	15033	1	17043	13801	1	17745	28510	10303	13039	17867	11094	13172	19230	16737	23669	64062	29811	15120	21390	67691	44861	10737	9964	1	24346	20730	7730
374.269@1.2593112	1	39837	47951	1	1	1	1	1	1	1	5128	36782	44624	1	1	1	1	1	1	1	1	1	1	1	1	43371	1	1	1	4446	1	1	1	57331	1	1	1
C32 H57 S2	1	22032	23001	94213	56400	1	1	1	1	1	1	10530	45135	34735	1	22845	1	1	37896	1	49487	26408	1	26656	15218	1	1	1	1	20464	40702	28873	20699	26251	10467	29990	1
278.1763@1.2557268	1	1	76279	1	1	1	1	1	1	1	1	1	46021	52406	1	1	52557	1	1	1	47999	49795	1	1	1	1	1	1	1	1	1	1	1	1	1	48672	1
C27 H55 N8 O3	15432	1	32162	38922	34505	23252	1	17261	24057	19459	40405	18855	1	1	1	14214	17590	1	1	20900	1	30145	1	1	1	1	1	1	1	21172	19769	15519	1	1	1	1	1
322.2353@1.2554286	1	1	74463	47808	1	59223	1	1	1	1	1	66490	1	1	1	1	1	1	1	1	1	75078	43346	1	1	1	1	1	1	1	1	1	1	28986	1	1	1
C30 H65 Cl2 N5 O	1	8217	40894	25537	32209	22540	7133	1	19072	1	21866	10060	34767	25104	19144	27517	8861	1	8533	1	11367	1	4993	1	1	1	38322	4331	26245	43855	7304	10807	21869	6732	1	28905	1
128.0881@1.2534502	36516	1	12846	1	1	1	1	1	1	1	1	15639	1	3941	1	18254	1	1	18458	1	1	15368	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
753.5226@1.2568871	12379	1	3648	1	14499	1	1	1	1	2719	1	1	1	1	1	1	9603	1	1	22613	1	1	1	1	1	1	6201	1	1	1	1578	1	1	1	6328	1	1
C28 H53 N O2 S	38065	66856	74750	214030	58540	46042	52925	33570	51100	38637	44227	38303	44509	64629	32785	37925	55322	32779	46477	1	46849	1	80477	41653	42891	58182	50061	33854	28581	46024	47939	35711	31326	35854	29394	38071	42997
C46 H87 Cl N O2	8084	37887	47053	59736	48403	13450	64710	1	93095	31186	29092	25341	22142	12418	9937	54398	19286	1	36032	30098	19863	26852	22085	47500	37270	1	26998	42776	15182	14870	1	11125	17835	1	25675	27304	35147
706.6573@1.2584413	1	11287	17881	1	1	1	15828	1	1	9886	1	1	1	2373	1	19318	1	59220	1	10220	6697	9571	1	7613	1	1	1	1	1	1	1	1	1	1	2983	1	13253
C31 H58 Cl N2 O	1	24008	61727	69182	1	23812	29720	1	40891	1	49912	1	28859	1	1	1	25556	1	1	41172	24530	1	1	19342	1	33869	23776	20813	1	19724	1	1	1	1	1	1	1
C28 H43 N2 S	1	22546	31940	224123	48907	1	31087	28809	1	33781	1	37189	52901	37256	37286	41645	41375	32602	38306	30903	52460	37425	54065	43582	45540	39327	49574	33180	31628	40642	57606	37985	25424	34177	58473	41285	30963
407.2998@1.2548959	1	32215	29077	1	1	1	1	1	1	1	1	1	1	22831	1	1	1	1	1	1	1	1	26901	1	1	1	1	1	1	1	1	1	1	17081	1	1	1
750.6118@1.2594768	1	1	16810	1	18836	1	1	1	1	1	1	1	1	1	1	34125	1	1	10211	1	1	1	1	18005	1	1	1	7335	1	1	1	1	1	1	1	1	1
C20 H41 N O3	38957	43067	92563	62966	1	27820	93108	95740	38825	53582	79971	24033	80480	86662	39399	117899	66459	146301	72777	46610	35304	27498	38621	35866	80300	64639	95434	31034	53408	114226	84742	32468	37276	44378	67794	61238	110212
781.0771@1.2704219	1	10084	4884	1	1	4459	1	1	8816	11336	14535	1	9355	5679	11767	1	6036	5593	1	1	1	1	1	1	1	1	5498	1	1	1	1	4633	5107	6334	1	1	3294
C34 H73 N6 O4 S2	1	1	27364	16166	25343	27210	1	3745	43257	51306	57637	23304	42625	21374	44814	21839	1	36576	20187	21735	1	27874	7624	11658	12075	42049	27029	14031	1	1	1	23392	26197	29269	1	1	17774
C29 H59 N O5 S2	12153	26805	29256	19368	25669	26936	25221	16300	21992	23047	26281	34482	25080	21458	18736	20952	15365	18484	14515	1	20932	17156	21342	22307	3505	17089	16339	22452	19329	1	24266	18552	1	15488	29623	5036	15425
734.6175@1.2583393	1	19026	38897	42356	22047	1	25304	1	1	1	1	1	1	1	1	38904	8929	1	19479	23318	1	27207	1	31859	1	1	1	26600	1	1	19669	5982	1	1	1	1	30549
PE(22:4(7Z,10Z,13Z,16Z)/19:0)	1	1	8331	1	1	7397	1	1	14137	14373	15093	6769	9842	1	1	1	7182	1	1	7265	4125	1	1	6012	1	7765	7058	7886	1	1	9829	7343	5205	8967	1	1	1
839.1204@1.2594165	1	1	2421	1	1	1	1	1	4188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2397	1	1	1
C37 H73 N S3	12576	1	19921	72603	19036	17173	25915	14044	49065	17130	13038	24211	42774	13257	26733	19221	14964	17279	12271	20091	17089	1	13836	24220	48522	28422	52084	9874	12542	1	19402	21598	17493	25929	15070	36349	8075
752.0577@1.269382	1	15528	10697	1	1	8561	1	1	15019	18076	21518	1	15120	5688	12722	5103	4865	10062	1	1	3301	11505	1	1	1	1	9585	1	1	1	8992	9317	1	8638	1	1	1
C20 H42 Cl N2 S	1	50631	47163	1	64637	60169	49835	44512	76499	38789	120907	95491	44084	32384	1	1	47876	53106	34879	78612	1	117886	36988	24001	47837	1	1	36776	27065	63538	1	45836	1	1	43465	3462	36079
451.3047@1.2564502	1	1	6776	1	1	1	1	1	1	7514	8069	1	1	1	1	1	1	6161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
13(S)-HpODE	65578	72748	89102	67431	110917	85336	180457	1	42092	65741	130193	67324	101648	58966	75341	101344	71521	112423	56729	68128	76577	132558	41697	81602	162781	272180	86581	87364	59667	93569	58145	87742	57616	99852	82382	74657	72820
559.4067@1.241625	82824	1	15491	18125	45868	1	1	1	21021	15520	14246	1	18496	1	35031	1	1	1	1	1	15588	1	1	1	1	20228	17588	1	1	12014	1	1	1	13677	16626	1	1
266.1568@1.2563987	1	1	37859	1	1	1	1	1	1	1	1	1	1	1	68555	1	1	1	1	30215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
426.1709@1.2733829	1	1	2709	1	1	1	1	1	1	1	1	11304	4533	2151	1	1	1	8650	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H48 Cl N7 O2	26211	36806	44090	32746	64279	17882	33127	10512	44981	28897	14733	19825	46525	36168	9924	22470	29710	13003	47279	13447	34541	29989	46761	25738	18878	11799	41296	1	20941	30895	63454	29459	19107	20234	18554	19201	19259
363.3345@1.161848	1	1	56867	1	1	1	1	1	1	81338	1	1	104111	1	1	1	1	40811	1	1	1	34123	1	1	1	1	1	1	72528	7078	21063	1	1	1	1	1	64780
338.3308@1.2557551	1	1	3928	1	1	3083	1	1	1	1	2894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
763.5458@1.2586198	1	1	37892	1	1	18038	14764	1	32240	28934	16104	32265	10304	1	2548	16445	14424	22910	8631	31977	1	37302	1	12100	1	1	7020	8541	3056	1	17216	26463	1	1	1	6628	1
C25 H13 N11 O14 S	1	17458	12219	1	8172	10719	1	1	19940	23274	27450	8770	20058	9035	19171	7617	17182	16702	11124	9684	1	12794	1	1	2125	13574	17834	12812	1368	1485	11899	11198	9998	12092	1	1	8687
585.5147@1.2636755	3478	4870	10095	5238	8831	4810	8209	1	1	1	1	1	3892	2703	1	5921	6167	1	1	1	1	6302	1	1	8179	1	5039	1	5131	1	1	1	1	4827	1	7223	6903
C39 H75 N S3	1740	1	27783	12073	1	12884	1	1	38493	8049	12064	8702	12936	1	1	1	1	4497	2855	1	3530	3136	1	1	4760	5267	10247	1	5118	8325	4132	1	1	1	1	4818	1
C18 H36 N3 O4	1	1	15867	1	1	1	1	1	7095	25746	41671	1	1	22744	7341	1	14445	10347	1	1	1	1	1	1	20995	1	6000	17338	1	1	20231	1	3511	1	1	18172	1
C19 H38 N2 O	1	24122	19483	1	23756	18208	4708	1	1	11424	8744	1	7382	8917	3512	1	9839	1	5633	14283	5919	1	1	6549	10669	1	4520	24474	7944	1	9634	9665	1	4829	7153	1	1
C20 H43 N4 O3	14802	32852	60852	74646	61341	43507	71109	70243	78346	57271	51050	48015	52318	22820	33387	86040	48393	135668	55682	64535	47710	52118	39005	67091	77723	220361	68389	57529	41090	81887	55282	33984	35381	36546	74167	59981	79727
739.5362@1.2151191	1	1	4013	1	1	1	1	1	1	1	1	1	1	1	1	1	3237	1	1	1	1	1	1	2576	1	1	1	1	1	1	1	1	1	1	1	1	1
661.489@1.2569201	1	1	3863	1	1	1	1	1	3668	3301	3681	1	1	1	1	1	1	1	1	1	1	3018	1	10464	1	1	1	1	1	1	1	1	1	1	1	1	1
816.6321@1.2611506	1	1	9675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8390	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H31 N3 O3	1	21426	27953	31872	32486	1	23093	1	18878	22365	25987	1	1	1	23786	20746	15166	24411	19288	1	13567	27118	42387	1	24397	28117	22588	20145	1	30655	22455	25284	1	21727	22049	3439	21589
772.5963@1.2589531	1	1	16852	1	1	1	1	1	15493	1	1	1	1	1	1	1	1	23515	1	2508	1	1	1	1	1	33835	1	1	1	1	1	1	1	1	1	1	1
C11 H21 N O2	177923	245989	241236	204039	179614	203950	181964	143588	247643	257936	236406	132356	191710	227035	171845	137279	240533	208270	114765	202908	163325	258278	187893	240599	192830	242270	214612	252679	196227	175094	288697	365418	172282	193388	182493	232011	219372
C32 H66 N16 O S	1	24865	18616	1	14397	19664	1	1	31500	38786	42191	17365	34775	16408	29668	15127	39706	25569	17364	18949	8238	22658	5248	9490	1	31321	31936	10060	3069	1	27451	16968	20032	18802	1	4179	17194
PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))	1	19063	15599	1	17063	13673	1	1	1	29792	30405	19932	25349	13069	26141	16031	1	19916	10615	14889	1	16882	1	8219	1	15332	20935	9130	1	4786	21765	15051	13638	2777	1	2854	1
C24 H54 N23	1	82274	32320	1	27527	31084	4256	1	54840	59353	67986	28894	51163	1	42012	32318	1	40498	27167	25946	10871	33195	7400	16289	10844	47083	1	23237	9437	7702	47876	25415	33973	29499	1	1	26346
C20 H39 N4 O	82820	160144	193052	242874	268651	97885	238671	182919	288620	140411	149360	102202	107350	81373	72510	213592	150945	432947	103912	157282	110582	203102	134876	162352	174413	769050	222185	155858	71685	109823	161435	95273	104756	71762	167141	177439	191680
C19 H11 O21 S	1	1	18242	1	19213	19496	1	1	31671	36232	47114	16689	28488	35712	28883	1	39803	23555	13446	15456	1	21005	1	1	1	25932	20177	12500	1	2551	32946	15367	24512	21412	1	1	14448
525.4226@1.2604954	1	1	50882	1	1	1	1	1	44402	1	39151	36627	29653	1	1	1	1	1	1	22464	23004	43674	1	1	1	22788	37924	1	9050	1	1	21320	1	1	1	1	1
C12 H26 N3 O S	16046	1	17626	10331	1	19333	1	7295	16792	12261	15810	19544	1	1	1	7946	1	5813	10752	9419	10020	1	31571	13400	1	12934	1	7773	1	1	16825	1	1	1	6942	1	1
C23 H13 N4 O18 S	1	50139	18149	1	13930	17004	1	1	28852	32710	40003	1	30293	13548	29019	1	1	23246	1	13014	1	20167	1	1	1	1	22813	8691	1	1	30933	17041	22174	20124	1	1	14247
C32 H65 N3 O9	1	1	36379	21288	41438	35439	1	1	59066	63591	81243	34236	56319	37305	58379	1	52909	49274	28100	31945	15290	1	12672	18522	1	71263	45413	29129	1	9836	57630	39415	50621	42307	1	1	34848
C24 H14 N4 O21	1	42131	13763	1	1	14857	1	1	25704	28269	34115	14420	23014	13836	26721	1	1	17356	1	10494	1	15917	1	5181	1	19829	19153	17091	1	1	1	11899	20948	17280	1	1	8806
C33 H64 N5 O5	1	51145	19539	1	1	1	15255	1	31900	13495	1	15717	1	5231	1	18389	7606	27797	1	19381	22821	30648	1	15451	3804	75359	1	74655	1	27051	11922	15048	1	5007	1	1	14770
896.6624@1.2592127	1	1	2739	1	1	1	1	1	3701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C45 H55 N2 O S	27879	1	28764	1	32354	21729	20583	1	23089	20763	26218	23646	22174	1	1	1	1	1	1	18906	1	29826	1	18005	1	1	1	1	1	24038	1	21514	17481	18170	1	1	1
566.4978@1.2650374	1	12552	9429	25086	1	1	1	1	1	1	1	1	1	1	1	10771	6044	1	5679	1	1	1	4058	8316	1	1	1	14001	4984	10644	7441	1	1	1	7357	9836	1
Staphidine	1	92328	36512	10723	34637	38820	4519	1	76722	70671	86985	38965	57961	49370	67281	29982	77799	52392	12055	1	12399	41237	18575	15067	12629	55596	45545	1	3121	6738	56359	35565	56588	44426	1	13529	1
C25 H57 N17	1	1	25420	1	1	1	1	1	50970	1	16628	14182	16318	7456	1	1	1	21952	1	3931	13866	1	1	1	20906	1	1	5555	14804	20602	7691	12214	1	1	1	1	1
C29 H51 N4 O4	1	52928	26572	1	33672	25226	12983	1	1	35253	41878	19826	38775	1	35062	27069	30925	26415	25973	19405	1	24820	1	15190	1	1	1	19534	1	13506	32127	22654	1	20012	1	1	11684
C24 H46 N5 O2	1	1	10340	1	1	7303	3423	1	1	3659	1	1	1	1	1	2767	1	1	1	5767	1	97366	1	6794	1	6407	4002	13840	4007	8378	1	1	1	1	7154	5703	1
479.2722@1.260287	1	1	26851	1	1	9501	1	1	1	1	1	54633	26895	1	1	1	1	11353	1	1	1	65189	1	1	1	1	1	1	1	17109	1	1	1	1	1	1	1
C21 H8 N4 O20	1	52964	19054	1	1	19483	1	1	31407	39059	45184	16862	32433	20509	31044	19308	1	24084	1	14337	4057	20531	4974	4906	1	27415	24698	1	1	3114	31564	17716	24479	22891	1	1	15247
C32 H69 Cl N3 O3	15322	36760	71797	106522	62902	34486	53385	61418	137088	45299	1	1	41845	1	1	83048	1	1	43701	1	49161	50300	1	67909	62018	284409	41921	59406	29738	1	58747	1	1	1	44538	63420	65092
C35 H60 N6	1	9271	26695	44711	46154	1	24394	34597	60944	16402	1	8302	11644	10711	11762	25341	13535	62911	12395	36929	13378	1	14667	16633	35610	154353	21442	29423	15990	1	23601	1	1	1	19426	15294	20722
C11 H26 N3 S2	56335	78197	142447	40579	1	156665	115171	63172	19165	91611	103390	52924	1	79993	1	60499	1	54770	73223	103677	1	75651	1	1	1	1	1	1	25792	60104	1	76605	60005	109089	84768	42223	89721
435.3127@1.2592118	1	1	10358	1	1	10413	1	1	1	1	1	1	1	1	1	26763	1	1	1	1	11737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H65 N2 O S3	6247	89656	35882	20787	42644	1	18815	1	45067	63118	83366	30611	60142	36551	56739	4750	77319	50911	1	37942	8382	43733	16637	17301	12007	50362	44831	32322	1	1	55481	34036	1	42382	12378	13281	24520
738.5291@1.2606452	1	1	7843	1	1	1	1	1	5699	1	1	8352	4759	1	1	1	1	1	1	1	1	10003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
cholesteryl beta-D-glucoside	1	77655	26636	1	44922	1	1	1	47234	48715	62928	31178	50626	1	43949	26859	55653	37591	1	23876	1	41242	1	1	1	1	33729	1	1	1	57460	28724	29547	1	1	1	1
68.0624@1.173707	1	1	17113	1	1	53815	10524	1	1	53994	39212	11099	40565	1	15045	1	1	1	30445	37060	8145	1	6652	1	27912	1	1	1	1	1	1	8547	7438	11447	1	1	10085
C15 H4 O17 S2	1	1	9149	1	1	8359	1	1	10679	13220	19659	1	13361	1	10551	1	10403	9511	1	5144	1	9590	1	1	2793	1	10769	1	1	1	12695	5475	7948	1	1	1	1
C27 H56 N14 O2	1	1	6400	16322	18351	1	1	4541	1	1	1	14329	1	4048	1	6190	7192	1	1	1	1	1	1	5933	6008	80802	6791	1	12556	1	1	1	1	1	1	11304	1
C16 H34 O2 S2	136369	185824	187888	124950	169325	129243	182823	110385	153680	171465	193127	145543	169583	51551	168401	169931	132339	136334	126707	145932	160748	163827	171274	134204	116912	148285	133276	118357	133359	173889	158456	129501	137029	114418	188967	146958	117455
449.2663@1.2509311	1	1	4794	1	1	1	1	1	1	1	6426	1	8327	1	1	1	10834	1	1	1	1	1	9664	1	1	9669	7332	1	1	6156	1	1	1	7854	1	1	1
C18 H2 N4 O19	1	47452	18044	1	15491	17974	1	1	27837	33052	41404	14344	28842	16003	27219	18173	1	21439	9433	12500	1	17958	5356	5337	3857	1	20183	12137	1	1	1	15102	23687	19893	1	1	11444
497.2821@1.2544622	1	1	31307	1	1	1	10978	1	21030	20577	121350	69674	15359	1	1	1	1	7101	1	82662	1	1	1	1	1	1	1	3071	1	1	1	1	1	10461	1	1	1
C17 H46 Cl N12	1	31964	19165	986241	30178	14264	17880	1	27357	1	15915	14093	25140	1	1	13822	32068	10985	1	19023	17735	18463	1	19459	11756	26959	21514	25935	1	23796	61462	13310	14164	13048	1	17469	1
Caproic acid	1	1	35563	11551	1	1	1	1	1	1	1	57719	1	14656	21864	30253	25294	16052	1	17338	1	32589	8015	20605	14347	1	1	11926	15686	1	1	1	1	25487	1	1	1
576.4747@1.1748512	15305	1	4448	11550	27295	43370	1	1	7031	1	1	3079	2056	1	13813	4129	22748	55878	1	27318	1	1	20832	31084	1	1	1	29105	1	1	30252	1	1	17878	1	1	16247
C35 H69 Cl N4 O	10680	1	55177	1	2045	41426	28447	1	73171	44639	73655	74264	34534	48691	36181	71620	56009	45975	61926	77799	53621	34841	71998	33541	1	1	45011	1	26406	132651	51046	55214	49545	51337	47760	60961	1
C11 H19 N O2	139643	1	34755	1	1	1	277184	48249	1	1	1	1	1	338948	227259	34033	1	269108	171388	1	232408	157363	13298	225284	1	1	1	1	1	1	254936	1	1	205025	1	252514	1
201.1718@1.2656115	9051	13200	6213	14831	1	1	14910	1	1	7216	13788	1	1	1	8129	7354	1	1	1	1	8829	1	1	9224	14657	1	15608	1	6657	1	1	1	1	1	8072	1	1
700.1854@1.2584766	1	1	1934	1	1	1	1	1	1	1	2554	1	1	1	1	1	1	1	1	1	1	1	1	2944	1	1	1	1	1	1	1	1	1	1	1	1	1
616.4762@1.263974	1	1	8612	1	15106	1	1	1	1	11716	11034	5578	1	1	1	12278	1	1	10084	6557	1	1	1	33403	1	1	1	12042	1	6969	11516	1	8657	3535	9244	1	1
622.4999@1.2623861	1	1	17280	1	10825	1	1	10851	1	6164	1	1	1	1	1	1	1	42889	1	1	6250	21904	1	1	1	68466	1	1	1	1	1	1	1	1	1	1	9210
608.5088@1.2641127	1	1	5422	1	1	1	1	1	1	1	1	1	1	1	1	59401	1	79626	1	1	1	1	1	1	1	1	3868	1	1	2833	1	1	1	1	1	20729	3966
168.119@1.2405736	25057	1	48181	1	17479	122180	1	1	1	1	1	1	1	1	37428	1	1	1	1	5895	52133	1	1	1	1	30189	1	1	1	11434	1	1	46750	1	1	1	29380
C16 H5 O20 S	1	36555	14344	1	15097	1	1	1	24815	27122	35576	1	24313	1	18391	1	27335	15115	1	1	1	14730	1	1	1	18138	17448	1	1	1	26465	14991	1	18085	1	1	1
Ammothamnine	34258	85960	142261	72671	59587	104208	53056	30703	221338	108828	106047	92335	97785	58062	1	1	37714	87021	46903	88044	73405	93173	24542	1	19498	1	1	24748	45165	1	43105	82382	1	1	23996	26749	1
963.7051@1.2663342	1	1	4251	1	5766	3454	1	1	4312	4583	8074	1	5445	1	3836	1	1	1	1	1	1	1	1	1	1	2994	1	1	1	1	2557	1	1	1	1	1	1
C33 H62 N5 O4	3118	1	47910	1	107615	33347	1	13961	148791	44661	25682	6788	27574	1	12321	1	6424	1	18635	58481	1	15741	37801	35162	1	1	12978	1	1	1	42816	1	17138	17896	41521	1	1
819.4917@1.2647884	1	1	16714	1	1	1	1	1	1	1	28596	11324	1	1	10927	1	1	10493	1	1	1	26124	1	1	1	8785	1	1	1	13345	1	1	11084	1	1	1	10290
640.5315@1.266556	1	1	3375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7228	1	1	1	1	1	1	1	1	1	1	1
C17 H34 N2 O	1	52864	29435	1	1	29387	1	1	23727	23408	1	1	11835	15158	1	1	10197	1	1	1	8770	1	11186	12063	11260	1	1	37215	1	1	18994	12204	1	1	11221	1	1
193.0773@1.2640091	1	1	29832	1	1	1	1	1	1	1	23875	1	1	1	1	1	1	1	1	1	1	25609	1	1	18234	1	50462	15545	1	1	23933	60130	1	12071	1	1	1
801.6159@1.2602481	1	2504	6764	1	1	1	1	1	1	1	1	1	2460	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3699	2095	1	1	1	2987	1	1
582.4949@1.2690951	2145	4615	16357	11918	20545	8317	14688	27885	26135	14774	1	13845	9413	1	6465	28230	9960	1	10556	1	8429	7000	7278	18479	28660	103546	13825	9585	11245	23143	18277	4440	1	1	24827	13813	21730
Valeroidine	1	104686	124830	166799	1	121519	121137	178543	156612	135137	1	94884	148782	165433	148394	156178	163333	182347	100731	139878	129378	1	1	137354	128888	209372	160613	142127	104808	162305	135169	138634	1	1	150284	151385	156098
86.037@1.2655725	1	1	23886	1	1	21935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
154.1358@1.2636983	1	1	5077	3466	1	20582	1	1	1	1	1	1	1	8493	1	1	1	1	1	1	1	12612	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
829.6409@1.2667114	1	1	3293	1	1	2707	1	1	1	1	2367	1	1	1	1	1	1	1	1	1	3002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Butanone	23702	166635	86525	29844	31351	65458	59002	23550	42916	29209	47715	49156	59273	41666	50780	35426	34386	32776	1	47243	45967	36059	23604	40269	1	1	34786	36705	35939	25282	39207	31760	67602	33446	38159	1	32992
198.1279@1.2366555	1	1	22329	1	1	22306	25178	1	1	1	1	1	1	1	15473	1	1	1	1	1	1	11309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H35 N4 O2	16563	21081	37137	52071	34618	1	38516	28427	18323	16906	18518	11705	30071	16706	28111	38079	17112	20248	12690	18282	11997	15688	43657	23056	37426	24875	34509	16500	22962	24434	35636	36083	13446	17644	39562	31350	20087
218.0146@1.2685344	3617	1	3666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7122	1	1	1	1	1	1	1	1	1	1	1
124.0887@1.2602237	1	1	11794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15243
Prosopinine	21762	1	50233	30652	27459	1	25738	15627	19353	15515	13384	1	5949	15251	26058	1	15957	17402	7475	15574	11864	18692	12221	1	24848	1	29706	1	1	12031	16118	8518	9178	15288	11821	16937	12407
C15 H27 N5 O3	45211	67906	100718	78392	90418	68296	1	69766	85929	73914	100189	1	92350	79117	66727	76106	1	66331	43746	68859	72162	89811	86620	1	30121	1	76535	54418	74223	61754	80612	62348	48674	48554	1	71108	55102
671.5434@1.2659948	15371	11615	14567	1	15375	1	24349	11508	1	1	1	19183	20166	14023	1	18416	1	1	1	1	5378	1	20091	1	1	1	5918	8474	1	1	1	11085	1	1	9254	12833	17826
452.3608@1.2779435	1	1	16144	1	25742	1	1	1	1	1	1	1	1	1	1	1	20915	1	1	1	12993	1	1	14070	1	1	16704	1	1	1	1	11010	1	1	1	1	17233
807.6575@1.2788308	1	3957	5536	5269	11847	4923	4241	1	6656	2443	1	3380	6854	4010	1	1	3872	16989	4907	13828	19589	1	4233	4085	1	9671	1	1	3277	10055	4321	1	1	1	1908	6840	4145
C37 H44 N5 O4 S	10188	24469	14881	1	48580	16229	18876	1	18804	16296	17107	16614	13275	1	17108	12236	1	14143	1	22085	17221	15015	1	9144	1	16901	1	14417	18147	9508	19789	10515	1	4155	1	4438	1
180.1149@1.2615435	1	32949	25380	1	1	17515	1	1	1	1	1	1	30107	1	1	1	1	1	1	1	1	74151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Boschnialactone + 1.2586726	93607	308206	63577	129947	1	35293	237317	1	233690	172934	279021	167893	1	35417	1	84639	132189	1	1	118349	197053	253132	192294	206650	27427	1	86989	216562	1	80637	378985	635938	132824	1	134697	1	1
126.1044@1.2693633	37637	1	84664	1	1	7723	1	1	1	1	58779	1	6298	1	1	1	1	34420	22146	1	1	1	1	1	20114	1	1	33821	32572	1	54016	91288	1	1	1	1	1
673.4974@1.2812569	1	108295	9897	1	1	1	1	1	1	1	11549	1	1	1	1	1	1	1	1	1	1	8806	1	1	1	1	1	1	1	1	1	1	1	1	3169	1	1
PGF1?	42550	63277	35928	33023	53630	41664	33263	28396	34105	26014	38585	1	51425	26220	19510	38401	27401	39895	15887	45349	39818	39308	30895	27445	43565	1	46032	40678	30135	48658	35500	37953	30880	36743	45372	31358	19289
Gabapentin	216395	46914	537676	1	113167	64580	1	1	1	1	1	1	227891	154505	165331	1	1	1	137396	1	1	173428	23774	1	129386	123163	136891	1	154422	1	1	1	1	122038	1	115893	164975
C6 H14 O3	125334	423388	334896	157924	146026	343651	295335	120461	162739	164926	236469	246352	263224	210569	280153	209554	191029	172847	183122	202901	241985	194880	135525	205837	182353	135869	173314	175787	223415	139708	181556	175518	174016	175016	174461	138439	161471
193.1078@1.2766911	1	34439	39956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22934	1	1	1	1	1	1	37139	106657	1	1	1	1	1
Ethyl acetate	14592	48629	40107	17673	18623	62815	98831	15127	22329	15386	26304	27262	57707	24654	10696	41256	21981	19040	1	24172	29817	23947	14051	25571	22522	16327	33829	19991	36631	1	37728	20909	20041	22004	30498	17294	17616
151.1206@1.3107114	1	42950	38380	1	1	1	1	1	1	1	1	1	1	1	1	1	8299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14325	1	1	1
Glucosylceramide (d18:1/24:1(15Z))	5042	15304	12337	19138	23354	10007	7747	1	13735	5627	11254	10995	10114	11896	7976	8685	9160	1	11494	1	1	6417	7483	18746	8707	9523	8112	5332	8399	43056	8337	3052	8134	7118	5027	1	7360
C34 H66 N O3 S	1	1	22799	17361	12912	1	20563	18609	1	14698	1	9589	1	8118	10890	11431	7566	1	19933	23072	13429	1	1	11184	21627	55743	13981	1	9172	33282	13845	14916	1	10520	22248	16597	11774
GalCer(d18:2/22:0)	2821	1	8155	13835	14873	6886	12973	10242	8697	1	1	7797	16188	3410	3934	1	5146	8005	3430	1	8916	1	4888	1	4544	1	1	1	1	9605	3214	2223	8321	1	11919	14561	4671
187.0858@1.2790374	1	1	14388	1	62466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22489	1	25296	1	1	1	1	1	1	1	1
810.6776@1.277	1	1	7719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
567.4705@1.3292016	1	28717	29645	33091	1	1	1	1	74930	16738	1	1	1	1	1	1	1	1	1	1	1	30719	1	10184	26355	1	30987	1	19919	1	1	1	1	1	1	14489	1
C39 H68 N2 O S	1	12516	43165	49669	40660	14789	27785	37187	62396	25345	13270	21255	14623	13793	12594	49210	18374	33316	32299	22030	19088	1	20396	25041	36634	175461	22049	31359	9104	26131	26219	1	1	9131	26324	38464	33319
C10 H25 Cl N4 O2	1	31528	70856	45301	84309	45662	1	1	52470	24902	55455	28312	27769	22252	1	1	35001	40896	1	45158	27929	48965	38673	37405	1	59427	47182	6659	1	6832	1	25853	27445	33844	19935	25748	1
Inulicin	1	51973	57994	1	14366	77028	1	17413	39959	1	46582	24311	1	1	1	36700	32522	1	26739	46300	26198	40698	48654	41049	19689	39824	1	38271	29640	29632	20463	36868	35537	29907	1	33436	28278
799.2405@1.2140714	1	1	2604	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2245	1	1	1	1	1	1	1	1	1	3383	1	1	1	1
TG(17:0/17:1(10Z)/17:0) (d5)	1	26196	16712	14160	1	4874	1	1	47542	1	11568	1	1	1	1	1	1	1	1	12858	1	1	1	1	1	1	1	1	1	542331	1	1	1	1	1	1	1
C12 H21 N O3	50101	63754	75519	102713	68804	98473	88326	130223	133911	76677	138067	1	77154	67714	97490	89859	94584	140416	51071	87882	56531	1	80022	71959	76574	149387	92650	95519	67973	104903	92904	72810	56429	71296	99018	113680	110709
Gly Cys Trp	3554	5459	4942	1	1	2972	1	1	4615	3498	1	1	8923	1	1	1	1	1	1	2630	11785	1	1	1	1	1	1	1	1	1	4084	5757	6273	1	8394	1	1
899.7936@1.288707	1	1	5182	1	21118	1	1	1	4883	1	1	1	1	1	1	1	1	1	1	1910	1	1	1	1	1	1	1	1	1	294034	1	1	1	1	1	1	1
847.7625@1.2742087	1	5857	6524	1	23009	1	1	1	9875	1	4168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22079	1	1	1	1	1	1	1
1242.3503@1.3562269	1	1	8202	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7077	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H33 N S2	42237	33378	72620	34699	39216	46375	50706	50691	40188	31458	64312	37190	1	34654	57570	37734	54668	47552	42049	72886	40638	52763	45204	1	30151	88318	58370	47894	32875	52978	35572	27330	31195	32644	31045	33907	57751
251.1503@1.2736174	1	1	74103	1	1	1	1	1	1	1	62638	1	1	1	1	1	1	1	1	1	16284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	103254	1
144.126@1.288	1	1	8398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H7 Cl O2	1	6232	8256	1	3762	1	1	3180	1	1	1	4280	5728	5170	1	1	1	1	1	1	4426	1	1	4078	4320	4754	4547	1	4999	1	1	4901	5455	1	1	1	1
C8 H14	1	29637	32272	1	12233	26305	29888	1	1	1	3615	19106	26355	10923	23749	1	1	1	8707	1	23127	19826	1	16307	1	3998	11017	7177	7602	1	11600	1	9500	10691	1	1	12673
68.0626@1.2812315	1	1	7609	1	1	1	1982	1	1	1	1	1	6217	1	6261	1	1	1	1	1	1	1	1	3827	1	1	5518	1661	1	1	1	1	1	1	1	1	1
C16 H36 Cl N2 S	27315	37612	41113	1	1	10032	43594	1	33983	30262	41840	39344	43857	1	1	41915	17351	38040	23641	30292	1	1	29865	30447	31855	39326	1	39627	33467	39009	36727	34529	34704	1	8457	37841	27567
C11 H6 N3	46888	56454	50303	1	37614	44345	38539	21886	35061	32184	50157	33069	36814	30639	31189	23390	33512	40128	25120	30800	37877	36113	21489	31500	33938	31697	40590	23804	1	34754	32325	33232	30686	32801	31190	38377	37503
C12 H25 N O2	1	385153	711354	376731	357196	268037	352293	267618	303882	264888	408345	194563	371017	368892	251414	321715	335136	332390	250703	283111	425502	310203	1	276250	308735	467816	380331	231154	241262	277248	510945	292261	161164	203475	264840	264965	280882
IBMX	1	49417	35688	354415	54565	45781	42939	42463	57076	39578	48593	31803	60497	21929	1	1	20692	25694	1	1	136830	38427	128897	1	19021	1	50000	1	1	1	59466	32369	1	44716	1	1	1
C12 H26 O5	703691	1045205	1684556	510127	686997	2136246	1108254	599446	642333	596383	1298376	1077387	639409	525445	960466	703095	540125	689844	566975	759698	529367	1000488	445492	725959	406635	880278	735044	681719	571836	782365	567132	781035	699754	742140	726535	599023	438772
219.1041@1.3	1	1	14453	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
880.7474@1.2987669	1	1	6981	7871	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(3Z,6Z,9Z)-dodecatrienol	99160	57357	27866	120911	113354	10309	38546	64503	1	8687	51832	32389	88760	129256	1	82571	89699	72056	84209	48103	1	1	102687	1	80319	1	25038	91765	70317	49788	15681	45415	1	1	79179	1	8171
140.0847@1.2641354	1	1	97567	1	137843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
901.8088@1.3021992	1	5776	15289	14166	1	3007	1	1	36019	1	9509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glucosylceramide (d18:1/16:0)	33310	28346	59836	41086	58885	25842	40918	28928	47021	21384	34280	35265	47566	28116	19204	28185	21086	32647	31094	22013	37627	18493	25047	37904	1	24864	27390	24415	23882	50661	24516	14595	32086	21599	16441	32109	23068
849.7778@1.3047814	1	1	7934	11664	1	1	1	1	26651	3856	9379	1	5179	1	1	1	1	3834	1	1	1	1	1	1	1	8417	1	1	1	60742	1	1	1	1	1	1	1
1275.3436@1.2977456	1	68454	695452	68944	1361634	1440576	68814	1036019	613695	180804	756681	66153	64661	62941	37796	61617	80249	97416	21635	35779	84436	73027	1541757	55607	34253	75460	72101	12021	19404	78426	84844	67046	1775622	79792	74388	92566	40896
875.7931@1.3082651	13207	1	49557	30174	1	11960	1	1	1	10456	25219	8202	6687	5958	1	1	1	5561	6851	25526	9686	1	1	11213	8209	9726	1	1	1	16730	8173	1	5728	1	1	3124	1
218.1062@1.306547	1	13347	13020	1	1	1	1	1	20400	12281	1	1	1	1	1	1	1	1	1	1	1	1	1	9825	1	1	1	1	1	1	6732	1	1	1	1	1	1
555.4379@1.331637	1	1	19690	50179	12564	1	1	1	19902	16749	1	21587	1	9350	6432	15613	10787	12623	1	1	1	12621	10707	1	1	1	1	1	1	1	1	1	1	1	1	1	1
450.3803@1.3147779	1	1	2103	1	6019	1	2223	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3645	1	1	1	1	1	1	1	1	1	1	1
C33 H52 Cl O	1	149792	18053	29290	25974	14286	20217	1	15875	16087	24013	20660	32083	27659	16241	15946	17355	17506	16409	1	20908	22599	28139	15791	12887	12620	21439	11625	10448	1	11737	14564	13615	12734	14856	18281	7937
165.1516@1.3307405	3566	1	3489	1	1	6622	1	1	1	1	1	1	1	1	1	5461	3156	1	1	1	1	8699	1	1	1	1	1	12527	5907	3430	1	1	1	1	1	1	1
426.2586@1.3254772	22122	1	8328	1	1	1	11150	1	1	1	20089	1	1	1	14170	13625	1	5488	11064	1	1	1	1	1	22491	1	1	1	1	1	1	1	1	1	1	1	13878
129.0576@1.3447218	1	1	12920	1	1	1	1	1	1	1	1	7244	1	1	1	1	1	1	1	1	1	1	1	1	1	10961	1	1	1	1	1	1	1	1	1	1	1
282.0675@1.3179696	1	14759	21625	1	17354	1	1	1	7873	13801	17054	1	1	1	24405	15734	20279	17104	1	1	3379	33525	1	4673	1	1	1	1	1	1	1	1	4311	31964	1	1	28814
C20 H41 N8 O3	19546	132492	81132	104388	87061	56687	70576	61163	66436	62672	113414	96297	127115	81380	74692	77878	74570	100940	60114	63909	113682	82285	82650	54332	79041	63891	69399	56562	29433	1	63515	62887	80404	61210	92870	1	51559
C15 H32 O6	1759453	2794072	2565997	1372359	1916977	2090660	2209903	1536611	1971044	2078814	2986404	2243499	2529030	1293502	2090017	1892475	1599859	1926757	1192305	2300618	1548994	2645372	1498340	1614534	1352802	2135026	1734767	1723970	1303873	2239456	1629786	2001845	2045515	1665350	1924345	1986442	1611754
C18 H38 O7	256669	651169	579301	367426	519960	433497	492711	329203	423588	449200	585358	491511	594848	361450	441953	463508	406851	565338	348042	443551	489831	559292	409626	351028	420127	396322	387010	400958	299814	658626	375202	448352	490622	391759	598337	599118	314681
C14 H17 N2	1	26138	33467	37792	31417	44546	32861	1	35399	40085	42315	1	28373	26280	42439	33502	42861	44119	18427	43834	26589	35194	27039	32989	30359	52822	34427	38817	31628	38712	34713	27515	19458	31937	42158	49043	42661
253.1526@1.3932016	1	1	14232	1	1	1	1	1	1	1	30087	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12964	1	1	1	1	1	1	1	1	1	26118
316.1109@1.319	1	1	5944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
372.2651@1.3851755	1	1	8110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	62980	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.2671@1.2745999	1	1	12456	1	1	1	1	1	1	1	1	12776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H27 N8 O2 S	42884	57998	78923	69319	65354	55579	51119	42225	71519	8038	1	63872	13268	12276	1	58182	1	53961	10154	56113	12187	71752	13711	56310	26297	38456	58147	14399	1	56865	41974	9280	27416	47590	50780	50105	1
C8 H18 O4	1	79435	183203	1	1	1	1	1	1	1	82613	1	91973	1	52181	38203	32440	26676	1	1	1	78690	1	54297	17443	1	37516	1	1	1	1	56063	44277	1	1	1	44831
369.2419@1.3324678	1	1	39101	12507	1	31996	1	1	36511	20040	24646	1	1	1	12459	1	1	19455	1	24577	22388	1	1	1	1	1	1	1	1	1	1	1	16618	1	20169	1	1
174.1256@1.3308702	1	19283	30735	1	1	39763	1	1	1	1	23376	1	22524	1	1	1	1	14672	1	1	9587	20432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H48 N2 O3	32734	73940	89563	156553	214125	46507	76079	20091	108263	58551	30065	55692	56196	129694	46558	56263	85956	33627	97875	41601	88081	1	152843	52102	58786	65736	38543	54605	50379	77241	68917	61370	55535	36337	34340	72025	44995
166.0994@1.3340985	1	217706	405144	1	89891	263803	1	1	1	1	193318	1	53594	86339	199018	1	1	1	1	1	201979	132601	1	82634	1	1	123359	1	1	1	33889	1	1	87180	1	1	1
11-amino-undecanoic acid	47392	53770	53925	66961	54796	79454	59107	63524	68556	68562	71562	36598	55657	58229	58379	50882	73009	72130	35903	70343	47855	73472	47970	52460	49404	89814	73088	47836	49452	57854	54062	54197	26120	46320	52723	62712	75646
C9 H20 O4	117410	1019528	1041179	101429	219756	1726237	841023	95309	137558	119650	694194	589786	666670	292796	630707	365988	239711	283483	228281	168385	531345	745093	154332	573279	107361	246649	323205	57510	88099	102937	378847	272150	294406	480179	356900	114490	285212
58.042@1.3351506	1	175559	385607	1	1	476182	1	1	1	1	191752	1	185665	1	1	1	1	1	1	1	132154	193395	1	1	1	1	1	1	1	40909	1	1	1	119783	1	1	1
C18 H37 N O5	1	1	120241	1	643529	14265	1	155939	1	1	77426	21240	181203	77415	239474	93060	116198	34240	195853	33541	11787	163778	48884	1	253262	313462	318873	1	84117	4140	37447	1	1	30845	27018	102976	1
539.4392@1.3476601	1	18337	43263	109661	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39171	1	1	1	1	1	1	1
352.2223@1.2966841	101989	18194	59277	1	225316	1	38383	68650	16362	13171	1	14376	47984	47398	120382	53738	46370	1	115021	20399	1	1	1	1	138883	153089	64383	16973	38544	13882	1	23843	1	1	22877	63157	76972
C13 H25 N O3 + 1.3452842	754947	1029764	761497	1682742	1686438	771425	1279888	635586	1209422	1002352	527377	380091	1244025	2279950	590118	1409652	1035528	1112460	996582	552359	776668	862957	1120285	1057089	1432427	1136911	1189157	1854774	1082582	686609	1005041	1164133	491321	872920	1200568	1156511	767387
C13 H23 N O2	1	466923	323864	1	1	1	1	274939	1	441791	244728	183493	1	1	299798	1	463179	1	447376	227797	333461	1	502511	1	1	514694	1	515808	290310	311127	390183	482095	1	1	1	1	332395
162.14@1.2860637	1	17867	15633	23697	20481	1	1	1	1	1	1	1	22393	1	1	18038	22774	12517	1	26154	19658	1	28101	17489	17400	37464	1	1	1	1	15661	1	1	1	15508	20119	11818
219.147@1.350914	1	29504	57000	1	21942	1	1	1	1	1	30208	1	1	1	27454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12302	1	1	1	1
231.1828@1.351	1	1	19487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H46 N2 O3	20894	57657	69062	144470	170993	42510	67334	25303	80771	70583	25479	43760	53205	95857	34596	48880	58878	26170	83974	52594	87616	76471	118348	32900	52082	41726	31905	5477	45548	54394	54987	57545	40333	34682	44035	61940	36756
110.1095@1.321564	1	1	3878	1	1	1	1	1	1	1	20934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
127.0997@1.3602201	1	27315	18033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12041	1	1	1
525.4235@1.4061613	1	46388	10739	1	29019	1	1	1	1	1	1	1	1	1	1	1	1	1	24729	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H20 N7	123979	245078	429689	1	189565	552585	296698	182335	158808	154843	302863	1	215772	1	249728	1	123785	180374	1	209009	172239	194024	1	199452	123025	1	211901	1	100730	193937	168158	220032	179861	209443	1	1	232595
454.3774@1.3849281	1	1	2530	1	1	1	1	1	1	1	1	1	1	1	1	1	2291	1	1	1	1	1	1	1	1	3169	1	1	1	1	5510	2058	5593	1	1	1	1
C26 H49 Cl N4	1	1	8759	1	57782	4275	1	1	20819	5931	1	1	9448	31539	8493	1	1	1	1	5591	1	8864	1	1	1	1	1	37124	1	10489	1	5762	1	1	1	1	1
686.5135@1.3678418	1	13027	4344	1	1	1	1	1	1	1	17439	1	1	1	5714	2134	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3537	1	3815	1	1	1
282.0677@1.3756473	1	1	5074	1	1	1	1	1	1	1	1	1	3121	1	1	1	1	5375	1	1	1	1	1	1	4200	1	1	1	1	1	1	1	1	1	1	1	1
C13 H6 N6	1	47325	65878	1	1	19931	1	1	10612	26572	1	17523	99914	27472	1	3977	21918	1	1	1	73354	1	18373	29330	1	1	1	6085	42845	1	25588	45621	12438	31365	4884	1	1
C12 H23 N O3	243537	366014	444042	442609	1	413168	528976	683080	425049	508224	450842	1	616778	546760	486744	516617	636839	796905	770184	504002	449328	542266	355859	1	710728	1013107	590165	727508	812043	315379	472159	449430	184304	334277	512537	577539	548464
178.1203@1.3831524	1	48667	135954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31638	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H10 N3 O2	1	1	90492	1	41126	90936	67658	1	54341	1	75629	1	85773	1	49424	74089	1	1	73472	54740	1	76772	1	93025	46113	32368	1	1	39944	87248	65280	73480	1	73766	74403	56480	49479
239.1869@1.3558958	1	1	17152	1	1	9402	1	1	1	1	11633	1	1	15138	1	1	14464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H44 N2 O3	22684	60115	68555	125615	187772	44429	71602	31514	89794	59673	29344	39770	57100	100502	31256	40808	68911	27629	82638	47344	81032	87739	108153	49060	42932	42247	44338	24636	51124	60465	60258	67600	38208	7407	42361	69679	33622
3b,17a,21-Trihydroxypregnenone	30406	33415	67334	30232	18950	50467	14874	17934	74673	62292	55980	42288	75732	23852	21583	20534	10536	12422	1	61654	99189	17439	1	32389	18324	29117	34987	72262	1	10263	56898	29259	77497	16340	76195	38157	13716
215.187@1.3885019	83116	58595	82029	1	1	42280	1	1	1	1	66644	22160	1	47183	39282	1	40860	41636	1	1	62552	1	69048	1	1	1	58334	36326	35513	37467	72361	42733	28713	27782	33967	37000	51853
115.0631@1.3908595	1	1	131861	1	52044	83122	65496	1	1	1	58395	64543	61904	1	61071	31218	1	36686	1	1	52023	1	1	43970	1	1	1	1	38213	1	1	1	38657	1	43938	1	1
205.0742@1.3891591	1	1	54966	1	55895	1	1	1	1	1	32882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
n-decanohydroxamic acid	30201	33883	36475	3897	3754	29259	20748	32767	35076	2860	9030	14473	36293	28650	30856	27154	34096	31308	41264	8797	29386	54132	26910	3818	25271	38865	33116	51046	31115	28095	32229	33843	17111	30593	30704	31158	29445
511.4082@1.4214265	1	17145	35368	91732	12737	15102	1	1	1	1	20808	1	1	1	1	1	17048	1	1	1	1	1	34420	1	1	1	1	1	1	1	17880	1	1	1	1	1	17679
C9 H20 O4 + 1.3973582	1	393684	516243	1	1	826123	1	1	56708	55689	265229	211658	295270	132939	1	192800	1	1	1	65497	247514	259140	1	232217	1	1	1	1	1	44853	153137	139730	167616	1	177695	1	159263
C14 H25 N5 O3	1	26382	44068	49431	39327	30580	25229	1	1	40052	47307	1	35878	1	1	39200	1	25436	1	16965	28093	37925	60194	1	39580	1	1	28319	45162	1	44890	49892	1	1	30000	35858	1
Limonene-1,2-epoxide + 1.4060118	27401	1	59389	54520	47475	45345	44974	45291	69028	1	50185	1	73170	58583	1	1	62941	59088	6336	46198	1	1	46293	47357	40077	62736	44771	1	32555	1	51898	1	1	40692	43658	1	39836
495.4128@1.3529439	1	1	19204	50055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35220	1	1	1	1	1	1	1
C26 H42 N6	1	8444	10466	11512	52510	2815	1	1	12056	1	1	1	11738	52073	11575	21306	1	1	30561	1	29069	8525	44035	1	39067	25740	1	1	13999	7687	1	31126	1	10155	1	24510	1
Ethyl 3-(N-butylacetamido)propionate	200351	497803	620079	777609	704408	591970	406933	602669	812217	679240	249088	283765	580723	544544	332742	676260	853372	442425	302314	500483	377293	239630	395045	359994	577077	807799	667196	700565	449545	618220	395895	587488	336632	332280	635474	390268	670922
252.1351@1.4030237	1	1	56604	1	48672	1	1	1	47652	1	1	1	84112	1	34266	32514	52290	1	30485	64547	1	121632	1	1	1	46259	49480	1	1	1	1	1	1	1	1	1	1
C23 H42 N2 O3	18944	48046	46534	67079	121499	33413	45909	27707	71449	47546	18666	20851	33762	62313	32877	30394	53596	22669	44912	36721	55350	50846	67622	37049	35706	19761	30797	17400	38889	43166	47076	57951	19687	20932	33991	44021	22018
247.1785@1.4124978	1	1	12638	1	7801	1	1	1	13291	1	1	1	17736	5086	11722	1	1	1	1	17521	7578	1	1	1	1	1	18379	1	8039	1	1	1	1	1	1	1	1
639.528@1.4363276	1	1	29281	25507	17129	25866	1	1	48525	1	1	1	1	1	1	1	8589	1	1	1	1	1	1	1	15972	1	22134	1	1	20353	1	1	1	1	1	1	1
142.1095@1.413	1	1	17598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
422.3132@1.4236064	1	1	3610	1	23288	1	9791	1	8284	1	1	1	1	16559	1	1	1	1	8356	1	10188	1	10994	1	11680	1	1	1	1	6122	5119	1	1	1	2574	1	1
C15 H32 O6 + 1.4153607	792953	1091805	981811	621356	874406	841925	968872	718006	801233	842048	956377	871245	1018078	587928	922649	920324	755166	1012427	700166	804136	624385	740277	750264	738420	726422	932314	781427	885394	815305	855021	874265	848603	913265	753682	938474	980426	719040
467.3818@1.4299264	1	11031	21196	89338	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27888	1	1	1	1	1	1	1	16049	1	1	1	1	1	12033
C7 H7 N	11133	88297	54760	1	1	83379	1	1	97216	162830	81100	35903	42360	52988	1	26998	111042	1	1	77262	54504	1	1	1	120815	1	10741	346763	23842	12474	78272	56015	2941	1	93304	1	1
697.5359@1.4407479	1	1	8107	11731	1	9211	1	1	1	1	1	1	3628	1	1	1	1	1	1	1	1	1	1	1	1	1	9783	1	1	1	1	1	1	1	1	1	1
11-amino-undecanoic acid + 1.4218489	12201	18790	19802	1	18424	15036	20623	19326	17589	17858	47552	8696	16983	15178	1	17465	20100	21563	14738	17494	12743	12911	13939	17734	25535	24377	18445	18931	18260	13452	14373	1	9174	14128	1	1	1
Poloxalene	41802	158037	279808	1	80429	230850	132375	1	1	1	90314	150885	153668	89860	129557	43613	59480	74531	44581	40346	114531	94991	32055	71414	38984	30349	80548	1	22359	16645	82098	55790	76494	71452	89056	26294	80614
324.0876@1.428	1	1	2376	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H23 Cl N6 O2	1	46871	26439	1	1	49308	1	1	28993	47474	1	1	1	13532	1	1	25238	1	1	29186	1	1	12024	40712	1	1	1	73211	28391	1	78339	39007	23787	40675	41152	1	1
C27 H57 O S2	115482	1	8648	29805	252813	6379	9764	14967	6869	3692	4154	1	9890	9801	118157	11770	12204	20780	1	2864	7249	14354	31825	6208	7140	163006	153983	1	1	34697	11068	3816	2273	5069	4241	22399	13851
410.1756@1.4533911	1	1	16456	9288	1	1	1	1	15860	18410	1	40177	17447	1	1	1	15843	10086	5994	18795	2857	1	1	24150	26069	1	1	9485	1	1	1	1	1	1	1	1	1
432.157@1.4332758	1	1	4006	3490	1	4526	1	1	1	6097	1	1	1	2353	1	1	1	1	1	1	1	1	1	1	1941	6244	1	1	1	1	4241	1	1	1	1	1	1
C10 H19 N8 O2	1	76590	79125	1	87700	84414	123544	72395	1	97724	76165	57498	127987	125251	65705	54078	97930	1	70279	66817	76550	1	182423	100627	114075	86707	105244	76491	72688	1	109489	88281	30240	94068	1	82139	49375
807.6566@1.4376022	1	1	3608	2449	16501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
231.1832@1.433	1	1	5079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H30 N5 O	1	2590	12021	1	1	4121	4640	1	6025	1	5622	4561	1	1	1	1	1	1	1	1	1	2674	8850	1	1	1	1	1	1	1	6366	1	11561	1	1	3249	1
C18 H38 O7 + 1.4355944	123287	259185	236680	184418	236863	162448	208460	161314	167085	198609	183538	206775	250405	208114	209808	218339	209752	264199	203484	160001	199067	163201	233191	148767	227110	168549	174994	230022	167612	265756	182506	186658	217627	173629	282931	291990	148440
C25 Cl3 N4 O7	1	7402	10999	1	1	16320	1	1	1	14526	20588	1	4140	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10552	1	1	1	1	1	1	1	1	1846
297.1787@1.4533364	1	1	94798	1	1	66697	1	116050	97945	154110	1	95986	127058	166745	131245	1	154312	107432	1	1	153229	1	197749	68684	1	128163	1	98319	126428	45767	158708	125140	75174	1	1	1	1
C22 H40 N2 O3	27277	62773	68294	88187	189791	53215	98227	35108	94756	58213	26543	55273	48946	99302	30707	41287	76618	29573	77613	45077	84805	85607	102423	53213	46452	55908	43343	23848	46585	56260	81338	72038	39936	34673	46187	58828	43859
452.361@1.4394029	1	1	27894	1	1	9305	17855	1	33231	1	13047	13422	23919	24222	1	1	1	6026	1	1	12769	14192	28104	1	1	1	1	68164	15941	18006	1	10173	1	1	22261	1	1
395.2661@1.4675807	36944	1	13785	1	1	2640	1	1	1	1	1	1	20318	12745	1	9924	12397	1	1	1	1	1	10614	1	1	33231	21144	1	8043	1	1	1	1	1	1	1	1
C13 H32 N3 S2	81731	1	131384	88477	86615	90270	178447	143117	1	84372	138219	133115	94012	137131	84548	140523	41102	75439	138831	64857	1	106887	123053	212676	105616	100772	75681	71324	82083	77967	76530	92648	1	88897	101964	72621	103472
164.0693@1.4415498	1	1	28287	1	1	1	1	1	1	1	1	1	1	15684	1	1	1	16148	1	1	1	1	14370	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H59 N O9	1	70141	98748	66915	71261	66290	72114	54128	161247	77654	88417	70896	64505	47280	68306	52818	53646	58619	1	70551	59935	77888	1	61448	1	63329	64306	1	1	81609	69057	53568	1	57184	47239	52857	50536
611.4971@1.4903351	1	17983	30566	30966	1	25081	1	1	62229	1	1	1	1	1	1	1	1	1	1	12727	1	1	1	1	20074	29089	1	1	14838	1	1	1	1	1	1	1	1
426.2587@1.4426202	27515	1	20680	1	52420	1	1	1	1	1	46054	1	1	14176	33346	23653	21773	1	34163	1	1	1	1	1	49733	1	1	1	1	1	8456	1	1	1	1	1	1
Glucosylceramide (d18:1/24:1(15Z)) + 1.4387408	1	1	11167	8812	1	5667	1	1	8167	1	5070	1	2630	9412	1	1	3927	3977	10555	6821	7117	1	1	5289	2777	4148	4103	3070	4250	20372	2789	1	3832	1	1	1	1
369.2381@1.4220941	1	1	22577	1	1	1	1	1	1	15382	1	1	1	1	1	21415	1	17930	39495	1	1	1	30904	1	1	1	1	1	1	1	1	26322	1	3540	1	1	1
199.0304@1.4476855	1	6994	10614	27711	1	1	15416	1	1	1	13047	1	16100	1	1	1	10243	7172	1	1	1	13403	2853	10019	2850	6917	1	1	15175	1	1	1	1	13244	1	1	28510
Cinnamyl alcohol + 1.4422443	1	1	29998	15030	16920	1	19174	1	15849	19401	21844	1	1	17779	1	1	1	1	1	1	1	11515	1	19285	9188	1	1	11247	1	13629	20208	18204	1	1	1	1	1
810.6764@1.445	1	1	4247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
424.3296@1.4570276	1	1	33033	1	1	1	1	1	67727	1	1	1	24591	45074	7474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
888.626@1.4506489	13208	5364	10405	1	9861	7624	14486	1	12780	11861	20731	19321	17707	15386	12599	12269	1	6022	1	9904	25677	4305	17262	5208	1	4541	4301	15675	8093	1	9377	23548	13535	14732	2032	12047	20755
Sesamex	104159	104074	181822	94267	80680	113850	82725	65251	156374	131612	36223	69159	113768	125098	63622	88679	134756	86883	65681	1	112897	1	95093	120405	1	97309	1	96674	55074	82766	156680	138957	40621	25248	73084	90892	52515
123.0348@1.4523035	1	30974	38712	1	1	1	1	1	1	1	41550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47307	1	1	1	1	42948	1	1	1	1	1
L-Methionine S-oxide	1	73455	70024	26243	51887	25417	40477	26559	1	59250	40742	19860	42850	1	24867	1	1	23188	1	28288	1	70942	26100	21695	29661	57700	82884	41444	1	1	38427	73127	1	33843	1	1	23648
C28 H45 N2 S	1	49264	33632	1	45969	21397	32434	26982	25830	22611	32516	35709	51420	45701	29710	35321	32885	43575	39323	23532	49070	22249	39918	29227	39562	29039	30462	32172	20733	1	29088	26167	34389	27455	45939	50572	25136
C24 H46 N5 O2 + 1.4477767	1	1	9763	22663	25682	7802	7148	1	1	5393	1	4444	5493	18551	6092	1	11347	4346	17339	1	12808	1	25979	5453	9256	1	1	5310	6586	7230	10401	6407	1	5999	6194	11078	1
Capryloylglycine	87186	239872	270981	361771	259802	223806	295126	233182	301818	178463	253315	148493	283287	371523	131994	298942	322248	302917	211171	224932	263127	330230	269242	129275	217833	345958	275892	261929	190848	270407	292816	285199	135703	117702	263872	265869	261647
112.0272@1.453555	5722	1	6135	1	1	1	3641	1	1	1	1	1	1	1	1	1	1	1	1	8519	1	6492	1	1	1	1	1	1	1	1	1	4648	1	3259	1	1	3034
C9 H12 Cl3 N2 O3 S5	1	1	29617	1	1	12395	2997	1	38971	7674	43641	6566	4182	29433	1	8941	33425	4131	1	1	5165	1	1	1	1	1	1	23587	1	1	7809	7227	1	1	1	1	1
875.9089@1.457	1	1	4711	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
653.5952@1.457	1	1	2672	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
155.1307@1.4578391	1	1	26473	29620	27907	1	1	1	1	24658	1	1	1	35487	1	28661	1	26679	1	25217	25242	1	1	26800	1	30008	23572	1	1	1	1	19869	1	1	18694	17171	19622
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid	1	8116	8635	1	1	12625	1	1	17835	1	7003	18866	2061	1	1	1	1	1	9347	11459	25811	12362	1	26648	1	1	1	21586	1	1	1	21269	1	1	1	1	1
606.5442@1.4685904	1	1	7671	1	1	4478	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4175	1	1	1	1	1	1
346.2135@1.4164741	11859	1	11405	1	1	15392	9185	12594	12772	1	1	1	1	1	26069	9611	18318	1	1	4267	1	30246	1	21363	1	1	1	18036	1	1	17222	1	12367	1	1	1	1
1021.5897@1.4562316	1	1	6674	1	1	1	1	1	9125	1	11874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
465.8054@1.4573964	1	1	7050	1	1	3981	1	1	8733	3781	8375	1	1	7443	1	3181	6300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H2 Cl2 O2 S5	1	1	7456	1	1	4039	1	1	13490	3747	7630	1	1	5671	1	2856	5523	1	1	1	1	1	1	1	1	1	1	5712	1	1	1	3948	1	1	1	1	1
3b,17a,21-Trihydroxypregnenone + 1.4572551	15776	23427	42535	1	14712	39115	1	12235	60471	50478	37668	38613	54967	25463	14672	19499	1	11201	20596	1	70589	1	34924	30482	19557	19649	1	1	1	4552	51421	25934	69352	14718	72230	26475	13301
590.2951@1.4653131	1	1	18240	1	30437	1	1	1	1	1	1	1	1	1	1	1	1	1	2595	159361	66015	19224	1	18496	1	1	1	1	13871	1	1	1	1	1	1	1	1
n-decanohydroxamic acid + 1.4612739	18031	19941	20331	24296	32603	20084	31332	1	21764	23542	23163	9513	20494	1	18520	15528	28402	30220	1	18034	17526	1	26562	18771	1	26519	19205	22342	22024	11883	22757	1	9128	15031	16326	20541	24117
681.6266@1.465	1	1	2612	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
422.3504@1.4646593	1	11325	10574	23249	22216	5489	11400	5522	11972	10831	1	5098	8503	18327	4603	1	12387	3677	20565	1	1	9718	27270	6909	7628	1	9423	28808	1	5973	12278	9224	10928	1	4683	11541	4544
247.1782@1.4628191	1	1	7422	1	1	1	1	1	1	1	1	1	10178	1	1	1	1	1	1	1	1	7984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
351.1912@1.4671305	1	1	14567	1	1	1	1	1	1	1	1	9570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
597.4814@1.469	1	1	22146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H19 N O2	12602	14911	23142	19463	10446	13307	10139	1	1	1	43664	1	7216	8510	14041	1	22977	20997	17430	1	1	18208	5200	12325	15735	8514	1	1	1	8413	1	1	1	1	1	15900	20170
312.2403@1.4799267	1	1	24309	25230	22776	12997	1	1	19429	1	1	14714	1	20931	1	1	14763	20379	1	1	1	1	20804	1	1	30510	1	20306	1	1	1	23485	1	1	1	1	13658
C21 H38 N2 O3	1	44623	31605	59904	96220	35631	54028	1	53064	41598	29081	30068	30719	53271	18899	26162	52059	1	37004	28061	46163	47435	52005	35203	25241	1	29683	1	27380	37942	49903	43726	1	22721	25065	28800	26943
265.2036@1.473	1	1	3875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
356.1447@1.473	1	1	20973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H18 O4 + 1.4758905	1	94695	242244	1	1	110516	79243	1	1	1	59073	89816	103571	52224	174138	1	1	42020	76212	42738	92393	61217	1	44406	50960	1	67723	35673	45841	1	73772	1	50209	49609	73925	1	84220
C15 H30 N2 O2	1	1	9676	11095	14746	1	1	7385	7780	1	1	1	11760	12476	1	1	1	12544	1	1	6894	12451	1	6129	1	18235	7661	1	1	1	8178	9883	6766	1	5021	1	1
Glucosylceramide (d18:1/16:0) + 1.4790593	22879	25553	38919	30552	48030	19365	34317	1	41906	17948	22243	28803	28536	26116	1	25652	1	26856	31366	1	21583	1	22597	24605	1	18123	1	26898	21202	26776	1	13401	24150	11491	1	25562	1
184.023@1.486836	1	1	28888	1	1	1	1	1	1	4804	1	1	1	1	1	7671	1	1	1	1	1	25014	1	15358	1	1	1	1	1	1	1	1	1	1	1	1	8728
C12 H14 N4	1	54360	45757	1	1	29977	65633	36321	1	27632	1	1	25538	42569	40966	1	1	1	1	1	1	1	1	1	1	1	1	15262	1	1	50495	30777	1	91019	45798	34602	56955
318.122@1.477218	1	10396	4905	1	1	1	1	1	7407	1	1	18821	17575	1	1	3344	1	1	1	8279	7520	1	1	29384	1	1	1	1	10236	1	1	8036	5267	1	3431	1	1
653.5073@1.4873004	1	1	3752	7099	1	1	1	1	14378	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4945	1	1	1	1	1	1	1	1	1	1
129.0789@1.4890498	1	139102	121670	1	1	102388	98581	1	1	1	72542	88943	87001	1	56815	1	1	1	1	1	59145	67923	1	57012	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H47 Cl N3 O2	1	14009	13772	1	34851	9555	1	7638	20100	11018	1	10691	10173	24833	6458	6926	15678	1	19132	6901	18958	11804	27869	14426	11134	1	1	1	10762	11304	13976	16038	8506	4058	8705	14079	1
355.2209@1.5061167	1	26965	61550	59239	71734	1	67031	30597	1	69013	67284	50081	63807	62022	1	17053	58255	48454	52646	1	64632	38098	88221	65240	50244	1	40132	28431	53740	1	54254	1	32176	1	1	56931	1
424.3306@1.4944581	1	1	5124	1	1	1	1	1	1	1	1	1	12612	1	1	1	1	1	20043	1	1	1	22311	1	1	1	1	1	1	1	1	1	1	1	1	17051	1
497.281@1.5690782	1	1	26573	1	1	1	171606	1	54999	122838	1	103159	1	1	1	125722	128390	107660	1	1	113154	1	222782	1	1	61517	1	1	1	1	1	82930	110276	139981	1	1	146165
212.105@1.5109209	1	1	25725	1	1	1	1	1	1	1	21105	1	1	1	28531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
754.5529@1.5571536	1	1	19325	1	1	22398	106153	1	44205	48347	1	136346	61013	1	40698	1	1	38533	1	1	1	1	1	1	1	1	11333	1	1	1	1	1	1	53748	13199	1	88553
C18 H34 N5 O2	13312	39963	27690	52341	69963	26759	52968	10303	46964	31059	25807	26538	28341	52633	13778	24490	36895	15396	21936	19029	42856	52681	45729	27552	19610	19542	22085	1	20259	14413	39403	30517	16306	22493	17710	31207	26179
172.1103@1.523315	1	51557	57619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
577.4299@1.5199146	1	1	11863	1	11201	13373	1	1	20549	1	24381	1	17014	1	23540	1	26285	15129	1	1	1	6865	1	1	1	1	1	1	2922	1	1	1	1	14968	1	1	1
C21 H39 N5 S2	1	1	16420	18638	1	1	13503	1	17758	15509	22124	16184	15685	14888	1	13263	14992	10975	13675	1	17241	1	18819	13623	8844	14478	1	1	1	1	1	10565	1	1	13284	1	7577
251.1503@1.528	1	1	25405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H8 N2 O3 S	1	1	72574	1	1	12592	6753	1	5788	27660	42904	13631	43865	10656	1	5154	16230	1	1	10117	1	27528	1	5560	1	1	1	10695	23441	1	39497	11735	9080	52258	47631	11961	18555
2S-amino-pentanoic acid	67948	230834	287639	60048	117450	251524	197609	52732	82665	66443	142247	179198	192696	118110	213831	86613	94017	107276	76540	90645	170463	161539	76280	123669	50809	102043	136896	56655	1	1	115580	99953	79773	100042	132396	40639	127006
Hygrine	23378	49192	34752	30340	30834	30753	33318	23195	42926	28884	30298	23393	27142	41413	30635	31556	34267	1	29449	23761	22490	34494	56101	21028	26666	38079	29115	43598	1	1	1	38790	14995	24126	26067	27107	1
225.1215@1.5357976	1	1	22224	313427	1	1	1	14315	20499	1	1	1	1	24235	1	1	24480	1	18157	1	30585	25469	21526	1	1	1	1	18790	1	1	1	1	1	15000	1	1	1
346.1214@1.543583	7000	13630	14070	6250	1	7666	1	1	1	1	1	1	1	12520	1	1	1	1	1	1	1	1	1	6414	1	1	1	1	1	4007	1	1	1	1	1	1	1
418.1845@1.546253	4246	1	8353	8018	1	1	1	1	5349	6889	1	1	1	1	1	1	3250	1	1	1	1	1	6553	5194	1	1	1	1	2904	1	1	1	1	1	1	3247	1
3-Hydroxysuberic acid	22696	1	43977	460051	1	23506	28193	21774	25598	1	1	17986	1	34950	22990	1	29582	27371	25067	1	1	1	31207	1	15001	21867	31374	24052	1	1	1	1	10818	1	1	17895	19071
419.1421@1.5479474	8239	1	4745	6716	3976	1	1	1	6812	6952	1	4351	1	1	8283	1	7342	1	1	1	1	1	1	6177	8533	10043	1	4835	4970	1	1	1	1	2637	1	5555	1
216.0498@1.5349039	26506	1	11214	1	1	1	1	1	1	1	1	1	1	1	17884	1	1	1	1	6071	1	1	1	1	1	1	20210	1	1	9731	1	1	1	1	1	1	1
KAPA	300853	399613	393752	375179	197898	352700	226216	283320	504375	373713	213918	110660	330380	522875	314795	224308	417229	308101	404694	304906	163682	382875	506110	308766	177697	327714	194742	560315	238446	357408	539490	478242	113526	150610	314027	346159	174990
341.1655@1.5381052	1	1	16116	8045	1	1	1	4552	1	13907	1	1	8697	8278	8816	1	1	1	1	11546	1	10227	8046	8194	9788	1	11737	1	7032	1	1	1	1	1	1	11801	1
270.0577@1.5355291	24262	4607	10670	1	5896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5423	3596	1	1	1	1	1	17761	1	1	12654	1	1	1	1	1	1	1
87.0321@1.534199	1	1	15469	7648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Bryotoxin A	1	20958	20938	16375	1	15456	12900	7106	20607	25599	19266	10343	15804	1	13718	10851	18114	11525	1	9414	13454	8324	13054	22155	1	17090	12546	10132	10578	1	28466	11659	1	2980	5786	9653	1
256.2148@1.547007	1	1	20649	1	1	1	1	12860	16725	1	19570	1	14496	13532	1	1	1	21202	1	1	1	28216	13632	1	1	29487	1	1	1	1	11337	1	1	1	1	1	1
193.0958@1.539	1	1	48351	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H27 N O S	1	38239	52977	46157	62623	44271	62280	1	60544	64277	1	67246	66213	63405	46529	53906	56135	46270	35641	1	1	1	1	49609	53559	40219	50387	1	1	1	49646	44925	36016	43004	1	1	42375
539.4393@1.5406966	1	1	20165	74932	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
320.1237@1.525371	1	1	162192	151868	1	1	1	1	1	1	168726	1	144419	1	1	104665	151124	1	1	128151	134769	171468	1	161392	28385	1	34479	1	1	1	1	1	1	74939	1	1	1
C37 H26 N14 O4	1	1	6221	1	2513	4063	4243	1	6125	5276	1	1	1	2666	3287	1	1	1	1	1	1	1	1	7511	1	6281	1	2212	1	5294	8505	1	1	1	1	1	1
C4 H5 N O S	4735	64288	63544	1	16269	39116	16196	1	1	1	22371	20525	17871	13066	20707	8141	11744	15765	8749	1	16324	18369	8646	1	1	8251	10583	7040	1	1	11076	12741	12773	11342	15795	1	1
C22 H40 N2 O3 + 1.5490807	6180	18274	16229	24189	45074	9773	29372	1	25263	19902	1	16928	14025	33601	11072	11034	20703	8004	30376	10908	23605	11176	38145	19037	21092	14591	16826	1	15559	14587	21894	19394	14189	13827	8552	23016	9950
Cinnamyl alcohol + 1.5503812	30732	54793	72223	58747	52042	46952	57775	33156	79099	72349	1	59077	66632	51325	62854	52395	55350	37078	34108	58138	54531	43913	60699	67053	46217	55167	56969	39675	40068	38236	64714	50279	1	39395	34951	39954	31896
Sesamex + 1.5498425	422741	382197	272578	235562	290883	347014	353500	224095	448119	439075	195575	287712	257687	317616	357508	124960	175354	270806	233291	171150	217384	1	303186	244447	309442	375988	330585	285988	260736	415420	413802	318280	143164	118099	206674	262527	196498
a-L-Rhamnose	63142	44960	66754	51563	60804	44097	51894	37685	60058	69369	38457	58054	57772	47473	62976	42501	46591	41816	1	1	56006	43610	41942	65436	49090	55896	51450	37441	37159	57934	66276	43339	22571	30351	24749	33766	35172
HPF	10850	12189	15084	12331	1	12440	3876	8388	15196	16642	17142	5560	7600	10556	12470	8300	12402	9442	6326	1	12212	1	12044	14211	9902	1	1	11861	1	1	15423	10624	3189	5521	1	7452	5255
C10 H22 O5	48314	154254	224465	65497	88466	253159	146385	134025	107285	100698	168514	126382	130976	102256	174397	97479	104365	83341	247088	176703	124540	143739	86932	83952	115258	1	150542	168748	110972	101604	112035	125075	96273	120638	98739	102100	125225
426.2063@1.5540903	12630	1	5528	9522	1	4272	1	1	5657	5233	1	1	12076	3841	10191	1	4741	1	1	1	6761	1	1	7438	4699	1	9114	4201	5827	4936	2982	5892	1	4678	1	1	5573
Sethoxydim	1	1	57410	1	69806	43964	1	1	66096	1	82104	58734	76170	66817	1	1	51312	59486	44789	59034	74400	67203	124886	85344	62040	51854	60443	65409	1	1	1	78418	1	62002	79589	53831	46156
208.1316@1.5610303	28903	1	100712	1	34249	71550	1	37557	1	1	41365	46068	1	19526	50194	1	13788	22530	24924	45309	1	1	1	1	1	1	61301	1	1	1	1	1	1	24747	1	12794	51509
C21 H33 N O6 S	44384	6431	22301	36294	20667	18399	38687	18232	31287	26149	14286	38970	58825	19756	49927	15191	23836	12984	7679	20655	31735	36954	18518	29838	20255	30357	40555	1	28282	28442	19098	27438	11028	22090	12715	17944	26059
C19 H24 N6 O4 S	42199	1	30608	39669	16840	22657	30307	21506	27974	25405	21027	1	50483	16025	35705	12050	19637	11909	8233	20739	32910	34553	19240	33282	1	21410	27843	19017	27722	28903	20631	28863	11979	19035	14599	20067	16010
424.3312@1.5738764	1	1	4842	1	1	1	1	1	1	1	1	1	1	11880	1	1	1	1	7615	1	1	1	16697	1	1	1	1	1	1	1	1	1	1	1	1	7469	1
874.2608@1.566	1	1	2619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H24 N9 O3	7103	3011	7121	5787	1	7429	1	1	9048	1	8348	1	14490	1	10778	4152	1	1	2051	1	8922	1	1	1	1	1	1	4956	1	1	8387	5144	1	6597	1	1	1
1168.3329@1.5752056	1	1	7746	1	16133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
376.1063@1.575829	5304	1	8653	7296	1	1	1	3651	1	1	1	27975	1	1	6328	1	1	1	1	1	13620	17448	1	1	1	1	1	1	1	1	1	1	1	13405	1	7119	1
252.1219@1.6066027	1	1	38277	492478	1	1	44988	1	1	1	1	25926	1	37176	24506	1	1	37582	1	1	1	1	44673	1	1	26303	1	28088	1	1	1	34069	1	1	1	1	20438
1023.2957@1.576276	1	1	3590	1	1	1	1	9865	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
366.0781@1.5750086	1	1	59109	1	1	1	3369	1	1	1	1	1	1	1	1	1	1	1	1	1	3001	58110	1	17322	1	1	1	1	4273	1	1	1	4751	1	1	1	1
205.0221@1.5731872	1	1	30952	8213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H8 O6	1	1	110165	15156	122018	1	24154	1	39392	1	1	39511	1	9574	1	1	1	1	1	152197	21081	119409	11555	65700	10879	1	1	1	1	1	1	47553	19301	1	19434	16183	14635
683.5548@1.6076483	1	1	22197	24593	1	1	1	1	48107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
664.9943@1.5654522	1	1	2274	1	1	1	1	1	1	1	10197	1	1	1	1	1	8171	3245	1	1	1	1	1	1	1	1	1	5128	1	1	1	1	1	1	1	1	1
99.0684@1.5804135	1	3769293	2961341	1	851721	1791061	1014542	1	1003739	1	1	1040176	1	1082939	1525267	1	1211276	1227246	993313	1406469	1	1	884241	1	916064	1	1031087	1078806	896518	1	1	856535	804395	816207	967827	1	1
314.1265@1.5505073	1	23886	12410	1	1	1	1	1	1	1	1	1	1	1	12058	1	1	1	1	1	1	1	1	28375	1	1	1	1	1	1	1	1	8112	1	1	1	1
282.9644@1.5796199	1	1	7404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9919	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
168.0284@1.5805875	1	1	7132	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11811	1	8771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H32 N5 O2	11634	23190	8509	1	24165	1	1	1	16765	14853	8583	7693	1	1	1	1	17065	1	17532	1	1	23831	25867	15971	1	1	1	1	1	12343	1	14932	1	7197	1	14976	1
C28 H13 N O3 S3	1	7889	39415	4493	19937	1	9188	1	16623	1	13740	11908	4689	1	4275	1	1	1	1	42500	8529	27966	1	17048	1	1	1	1	9447	1	1	19840	7534	1	6687	5007	15428
?-Caprolactam	550035	3421668	3182084	458770	832745	2355696	1038936	366488	510743	453114	623291	1	1051562	947721	1682287	592796	702965	728875	334374	490749	984566	581034	676473	818420	413084	613390	611745	516988	433432	1	625059	868038	821103	825824	850351	416852	665205
703.0916@1.582	1	1	2298	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0475@1.5818058	1	1	18822	1	1	9630	14777	1	1	1	1	1	1	1	1	1	7565	1	1	1	15551	21903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C36 H4 N6	1	1	13496	1	3468	1	1	1	10443	5104	1	10385	1	2409	1	1	1	1	1	1	5745	10280	1	6739	1	1	1	2568	6415	1	4410	4186	1	1	3043	2519	1
Thymine	168901	148346	571858	133674	251791	232387	401989	109167	389274	251502	361815	492271	381576	202705	368807	159973	208393	159497	119050	470583	307723	665533	138196	354093	105772	135866	122550	175907	227190	1	256015	250601	163310	379962	149187	140397	260995
C41 H13 N3 O2	1	1	7438	2638	1	4735	9036	1	7988	5506	5730	9666	8254	1	9308	3887	3855	1	1	1793	5929	1	1	1	1	1	1	1	1	1	5941	1	1	3303	1	1	1
324.004@1.5975038	1	1	7067	3197	1	3313	1	1	4455	1	1	1	4885	1	1	1	1	1	1	1	2479	1	1	1	1	1	1	1	2432	1	3115	1	1	1	1	1	1
C20 H5 N3 O6	9757	19704	9887	1	5411	16150	10652	1	14728	11687	10285	8045	16098	8829	10805	9216	8319	1	6693	1	9913	1	5138	9514	1	4952	6429	11388	7718	3549	10743	7774	10085	8198	6843	8954	6750
80.0262@1.6105705	1	6248	9410	1	1	1	10523	1	6681	1	1	18140	7790	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3519
412.0836@1.6008236	1	1	15824	1	1	1	1	1	1	1	1	1	1	1	1706	1	1	1	1	17670	1	14490	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H16 N5 S3	1	1	13216	4545	1	1	6854	1585	9204	5565	8857	8401	1	2301	7943	1	1	1	1	9120	6172	11297	1	8562	1	1	1	2743	1	1	4048	5977	1	14995	3421	2884	7981
DL-2-Aminooctanoic acid	1	28213	16103	22902	1	1	46267	15517	1	21972	1	1	22500	25659	35799	20477	34048	1	22716	1	1	1	28727	22006	16984	20850	36877	29695	16178	1	1	27733	15878	26273	17357	25192	31163
Thymidine	141348	174732	523916	148428	164814	303615	321939	97208	1	321720	369183	366818	333682	188199	243144	161474	222808	127301	147715	355062	339414	497779	173078	372792	104790	68817	63485	280949	284766	1	286370	316130	236723	282269	244164	157237	155265
521.0246@1.587	1	1	7394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
220.1121@1.5881523	164438	1	15192	164945	225909	119002	141997	129473	113755	128663	256753	1	70565	61653	1	242011	1	45218	87411	1	123074	1	1	138932	132199	217588	1	1	48605	198327	214698	1	1	1	36332	144668	110143
280.0458@1.5849295	1	1	5536	1	1	1	2147	1	1	1	3112	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3326	1	2914	1	1	1	3684	1839	1
C29 H13 N5 O	1	1	23698	1	1	10761	1	1	14323	8078	12346	11323	1	1	1	1	9094	1	1	1	7107	1	10525	14637	1	1	1	6115	11256	1	1	9661	5649	1	12141	8260	1
506.162@1.5858877	1	1	19022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7806	1	1	1	1	1	1	1	1	1	1	1	1	1	12252	1	7279	1
323.9674@1.5863137	1	1	17807	1	9583	1	3809	1	4164	1	7718	1	1	1	1	1	1	1	1	1	1	1	1	8667	1	1	1	1	2271	1	3958	1	1	1	1	1	1
C22 H8 N4 O6	6422	11017	6385	7070	1	8967	8238	1	8017	8244	7111	1	1	7742	8021	8129	1	8479	6543	1	6427	1	1	1	1	6339	1	6335	1	1	10158	3494	1	7557	5344	4569	1
493.1128@1.590819	1	1	7903	1	1	1	1	1	1	1	3250	3893	1635	1	34284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64288	1	1	35895
229.0411@1.6041157	1	1	264156	1	86924	1	1	1	4900	37974	1	1	1	1	231278	1	1	1	1	45631	1	206535	1	1	1	1	1	1	1	1	1	1	1	350023	1	1	256601
164.1048@1.5981152	1	111698	360420	1	45962	81107	74384	1	1	1	1	76680	119607	82177	247102	1	53865	65555	196942	90013	143300	41806	1	1	88613	54812	99008	119163	88466	1	89959	25886	32064	40231	101259	1	94010
88.0525@1.5981877	1	1	19901	1	1	1	1	1	1	1	1	1	16928	1	20019	1	1	1	1	1	15894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
268.0419@1.597	1	1	2031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H31 N O8	1	64506	84837	166587	1	68823	90078	43739	82160	100556	76786	42721	98727	88708	65351	58648	86200	60024	77174	62351	99905	62037	131964	81138	88853	60479	85427	61207	69250	55244	87320	74687	31437	61514	85529	79634	50108
5-Aminopentanamide	1	21080	22055	1	1	20870	1	1	15229	15772	1	1	17012	1	17381	1	14052	1	16534	12980	14829	1	1	16679	1	1	15035	16597	14924	1	15929	16812	1	1	15503	14786	14740
C11 H21 N8 O2	34848	75167	87398	157390	70100	79170	79215	58414	86517	82385	91079	71565	75129	79790	68609	68303	73799	46191	57790	64827	83912	80724	96454	69124	57890	49673	72965	45638	55844	56077	82731	66172	31307	50692	1	64543	56429
C13 H28 O6	229050	351131	473048	365626	392834	369004	418864	316349	422134	373164	570487	422857	465846	424451	342886	310121	382685	314209	292803	313673	383639	431617	395524	389933	284984	347639	348383	280381	311207	188334	424154	326986	234284	274222	333638	317146	310424
207.0537@1.6342051	1	1	7532	1	1	1	1	1	1	12511	1	1	17460	1	21617	1	15594	1	1	45757	23646	1	1	1	1	19160	1	37610	1	1	1	1	1	1	1	1	12203
C20 H36 N2 O3	1	1	12387	24680	53469	18961	30122	8360	25304	14806	1	1	1	28723	1	9801	24780	1	29127	1	1	13273	36704	15998	11462	1	13597	1	12481	9100	26272	19224	10639	1	1	10082	17312
242.1992@1.6383109	1	1	30767	1	54753	1	1	28521	1	1	20361	14708	42840	1	29397	1	1	1	1	1	1	44345	1	1	25197	1	1	1	1	1	1	1	1	1	28771	1	32222
Indole-3-acetaldoxime N-oxide	1	1	86472	1	132227	1	82117	1	1	1	178098	1	215184	135913	1	107687	117954	1	1	1	1	356404	1	44647	101804	1	1	1	67003	16267	1	85313	1	66110	1	65169	24417
256.2147@1.6391042	1	1	10973	1	1	1	1	1	12195	1	1	1	1	15046	1	1	1	1	1	1	1	1	1	1	1	23647	1	1	1	1	1	1	1	1	1	1	1
655.5237@1.674741	1	1	26540	32779	1	1	1	1	64889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27654	1	1	1	1	1	1	1	1	1	1
C8 H26 Cl N9	20869	26033	35639	31348	41734	1	1	26888	31254	1	54323	1	1	27037	1	1	1	1	1	23279	1	35414	1	30816	10505	30775	1	19444	1	1	1	1	19451	22460	1	1	1
N-Valerylglycine methyl ester	61477	78701	99065	66880	36752	45398	64344	75567	58615	36932	39531	1	106515	66380	59553	63675	69673	48753	131747	1	28778	62116	53399	48396	50482	78169	107815	126873	72842	63248	62747	110580	19639	45540	112100	90811	50519
C9 H14 N2 O3	1	1	136758	1	60263	1	48311	40359	14361	19452	1	1	1	34524	31229	33221	28512	27512	1	1	1	114238	25362	18662	30768	38246	26160	17670	1	1	18553	50984	1	54056	25687	51704	28120
3,3''-Biflaviolin	8629	22421	23161	7452	10258	15292	15322	10411	17450	11970	13636	5036	15105	9090	13164	1	10173	8446	1	1	12406	13900	5312	1	5794	4741	1	1	13981	1	16906	12042	10902	11626	9106	7350	8556
552.0433@1.6573844	1	8555	7993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6810	1	1	1	1	1	1	1	1	1	1	1	7737	1	1	1
2''-Deoxyuridine	1	340845	58451	1	1	101740	90431	1	27622	1	102787	1	86633	1	71116	1	10714	1	1	119338	12764	192665	1	15099	1	19453	1	1	1	1	109810	1	1	80875	1	1	17966
597.0766@1.652191	1	1	5000	1	1	1	2483	1	3283	1	1	1	3355	1	3272	1	1	1	1	1	1	4068	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H38 N5 O3	1	1	24757	1	46859	9043	33391	1	1	12798	1	1	27078	1	1	14758	1	1	32101	1	29881	1	1	1	19929	24252	1	13011	1	1	42596	1	1	1	1	18170	1
C9 H8 N5 O4	26994	1	168121	32358	28639	1	1	28492	113669	70474	1	20012	1	27318	1	33813	39222	34487	27312	1	51713	1	23742	71054	19938	1	17923	55201	53987	9293	1	80869	59798	1	63635	36496	27731
Uracil	31752	98660	89695	21567	34316	44830	53710	22645	56123	41237	54620	31161	51908	25692	67782	26207	31174	26501	21125	62383	37173	94393	20928	33584	19197	19717	27690	35146	34695	1	48279	32648	29700	53277	26407	25346	36541
504.1281@1.6629562	1	7854	9599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3620	1	1	1	1	1	1
C13 H8 N3	15289	29934	31746	60544	75698	1	31791	1	32194	1	99729	1	81200	53188	1	36978	61914	1	1	1	1	86489	45661	1	60848	1	1	1	39397	1	1	44846	1	29064	1	32299	1
551.0709@1.6597849	1	3465	5523	1	1	2549	1	1	1	1	1	1	4083	1	1	1	1	1	1	1	1	3707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
294.0655@1.6613804	1	8876	7934	1	1	1	1	1	5254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5119	1	1	1	1	1	1
116.0479@1.6701937	1	14709	16049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H9 N8	1	27050	28013	1	4095	1	6475	1	9628	7113	9912	1	1	1	1	1	1	1	1	12188	1	1	1	13251	1	1	1	1	5465	1	3982	13669	7765	1	4605	1	1
424.0439@1.6551827	1	1	5885	2585	1	4612	1	1	4875	3599	1	1	4893	1	4138	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5825	1	1	2776	1	1	1
338.2301@1.6591543	1	1	119662	1	1	1	106628	1	1	1	1	103415	1	1	88740	1	105556	88085	11847	1	1	1	147222	117975	1	78539	1	36004	1	1	136456	1	1	88709	132603	14791	65760
C25 H5 O2 S	4431	1	9463	1	1	11193	6403	1	1	8113	9773	1	1	1	5136	1	1	1	1	1	1	1	1	5891	1	1	1	5576	1	1	10880	1	6856	4630	6334	1	1
597.4808@1.66	1	1	22004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
159.028@1.663	1	1	12940	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
408.2117@1.672	1	1	5400	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Decarbamoylsaxitoxin	15211	1	18963	14310	1	22570	18740	18484	20114	16899	22973	1	17518	1	1	19449	15846	17122	10751	16271	21747	13627	1	15974	17108	17388	16214	19713	18381	22229	17010	19849	16776	27270	20404	11326	19729
251.1737@1.6775106	1	1	15076	1	1	1	13325	10804	1	1	18201	1	1	8573	11552	12381	1	12268	1	17200	20999	1	1	1	1	1	1	14539	1	1	1	12697	8517	15748	1	1	10177
C18 H32 N2 O3	1	32338	18250	1	1	27877	61600	1	27204	25189	12819	1	1	1	1	11263	1	1	1	1	20879	32849	1	1	1	1	28237	1	1	14775	37903	1	14868	17754	1	1	1
232.0613@1.685758	1	1	6808	1	1	1	1	1	1	1	1	1	1	1	10736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
128.0945@1.6826141	1	1	34450	1	1	58398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H17 Cl N2 O S	1	7974	9172	1	4244	8917	11699	1	6260	1	6660	1	10813	1	11641	1	1	1	1	1	9634	1	1	5057	1	1	1	1	1	1	4108	3692	1	2796	2468	1	1
370.0234@1.69	1	1	2689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Norleucine	142021	323786	462997	106392	177354	979416	404787	84341	138935	102653	380998	300571	397785	194520	398014	229204	151044	182399	144505	169759	322481	389142	117964	295558	102520	175333	207893	109235	96180	106830	281362	181840	193443	296207	252353	98851	271667
232.1282@1.6944205	1	1	22307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14370	1	1	1	1	1	1	13967	1	1	1	1	1	1
C9 H17 N8 O2	20656	29535	32963	1	31312	32447	48264	23985	37603	39981	40831	40301	45201	49034	28619	25501	30716	1	38651	30734	56205	28281	1	35713	40049	48230	21114	40615	49146	26036	42581	19524	30675	35265	25735	28386	1
1-Phenyl-2-(diethylamino)-1-propanol	1	13504	15377	14327	11569	17593	1	1	17150	11969	17403	15993	19250	1	1	1	1	14803	1	1	1	1	13315	17536	1	15451	1	1	1	15166	15986	1	1	1	22697	1	1
157.0892@1.6569346	1	28618	35137	1	1	63413	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H24 N5 O	1	21688	33469	64019	68733	1	1	1	41102	1	32641	32326	1	1	24351	1	45968	50647	70556	34902	1	43731	1	31399	43364	1	38295	1	54165	33483	1	1	1	1	1	1	1
518.1072@1.704	1	1	4004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.1791@1.610298	1	1	2459	1	1	1	1	1	1	1	9889	1	1	4871	1	1	1	1	1	1	1	1	1	3880	1	1	8148	1	1	1	8422	1	1	1	1	1	1
C30 H43 N2 S	3388	10715	22201	1	1	1	1	31572	19589	20336	14759	21453	17652	24395	21305	17339	13808	13135	37623	1	31161	15885	48937	26096	12971	9406	1	14187	10764	12677	19391	19763	1	1	20243	15979	17051
244.0699@1.7097486	1	1	122084	1	40492	1	1	1	1	1	1	49667	1	1	23453	1	1	1	1	37394	1	148569	1	1	9352	12035	1	1	1	1	1	1	1	1	1	1	1
C11 H13 N O2 S	29962	19686	53640	1	40179	39698	25188	14007	18826	48176	160931	23494	114073	64882	13788	63091	201484	227088	46019	69463	15984	1	118886	1	208203	1	25216	79896	31592	21051	29507	22974	1	52365	57794	30164	35301
85.0526@1.708664	1	1	93424	1	1	1	1	1	71894	80504	31509	1	1	1	1	1	1	66106	1	84571	66010	1	1	92859	1	37007	1	1	109405	1	1	1	1	1	60102	1	1
205.0218@1.709	1	1	6404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
366.0839@1.7189667	3945	2899	15493	1	1	1	3615	1	1	1	1	4678	1	1	1	1	1	1	1	6059	1	11654	1	2819	1	1	1	1	1	1	1	1	1	1	1	1	1
Uracil + 1.7113016	24493	15902	60662	1	40403	19772	29661	6935	17836	11792	1	25356	22874	1	1	13080	19493	1	5493	70149	25691	98606	11359	1	8464	20997	1	7653	16482	1	15088	1	9890	11425	13403	7871	1
427.1088@1.7122204	1	1	18818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H24 S2	1	129655	278353	94471	87732	266429	173901	200049	128840	92552	172723	134963	120976	161976	195475	61849	139215	95624	431649	187880	169410	127419	123765	64798	137632	95037	198552	261352	108097	75168	155675	98781	64277	155928	71817	112406	130606
C33 H2 N2	1	1	8509	1	4593	3484	1	1	3359	1	1	3695	3925	1	1	1	1	1	1	1	1	7282	1	1	1	1	1	1	1	1	1	1912	1	1	1	1	1
583.0622@1.7116374	1	1	4544	1	2499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H19 N O3 S	69046	1	82122	48921	1	25337	1	26658	43834	52288	1	18573	74764	26591	32709	1	23984	29152	26366	76721	49545	95812	26440	91451	1	68848	39358	40641	54023	25884	38534	55315	29999	36053	37030	31300	39927
C8 H22 N9 S2	1	20974	25702	18654	1	1	1	1	1	1	19150	1	1	1	16848	12741	1	12947	13154	1	1	1	11181	1	15942	26045	1	12729	1	10552	1	1	1	14208	13089	12036	15050
C15 H8 Cl N7 S2	7152	1	13404	1	7952	1	1	1	1	4391	1	6841	1	1	6544	1	1	1	1	1	1	11897	1	4756	1	4948	1	1	3364	1	1	5357	1	1	2220	1	1
C22 H17 N2	66775	50755	58379	46137	58591	24959	58013	25504	44018	47590	51770	1	56085	20368	49786	26028	34449	35689	30684	72110	46859	65344	22146	52643	43602	1	32472	30433	48284	19783	32121	32710	28284	31421	29066	40538	37781
242.0676@1.723166	1	1	5252	1	1	1	1	1	1	1	1	5915	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
213.0666@1.7195632	28960	28816	27599	24045	1	10000	17286	13367	19578	1	1	1	25830	1	13569	11013	9489	1	12259	23327	1	25727	1	1	12630	24822	16529	13475	17396	10154	1	19973	12575	17508	21081	12619	19508
2,4-Dihydroxybenzophenone	117532	123890	114786	97418	63501	38728	68082	57735	88295	98760	82492	27893	115056	41896	54044	37739	1	56362	57233	108764	78930	105185	38300	122607	49818	109983	58910	65056	76609	44975	66582	92070	59077	74913	75422	51834	78055
100.0332@1.7219099	1	10561	3521	1	3517	1	1	1	1	1	1	1	5099	1	1	1	3340	1	1	1	1	1	1	1	1	4868	1	1	1	2066	1	3385	1	1	1	1	3160
C8 H17 N4 O9	1	1	19348	15628	9571	8248	1	11073	1	1	13877	1	1	1	9847	6386	8597	9399	1	14407	11152	1	1	15183	8936	1	9093	1	1	7347	1	12275	1	1	10813	1	11522
1084.2908@1.7244831	1	1	4566	1	1	5770	1	1	1	1	6816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(-)-Epinephrine	66688	1	36049	1	74102	1	82794	34353	1	1	20493	1	1	28691	101722	29850	30625	91813	1	1	1	123351	34368	1	39515	274376	146544	1	1	1	1	20997	1	19580	1	78247	78217
1158.3073@1.7235371	1	1	8849	1	1	9932	1	1	9717	1	7543	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H18 N6 O S2	40734	40325	43392	36601	22370	1	31299	25348	28812	30419	1	1	34476	18047	26849	16747	19451	1	18528	31438	24736	39488	13418	1	18859	35360	22268	21303	28055	17513	22613	27169	21198	23888	1	19852	25996
79.0419@1.7315385	1	5102	5429	1	1	1	1	1	1	1	6838	3455	1	5624	4361	1	1	6287	1	1	4051	6678	1	1	1	1	4176	4553	3246	1	3252	6487	1	1	1	1	1
C17 H29 N8	8692	1	34207	16108	28430	23444	17985	27287	20372	18742	27319	18018	31319	15661	1	1	21161	24324	21414	23385	32852	19230	1	22962	30894	1	1	19546	17315	36935	15592	23497	11697	29212	26666	18304	21009
1306.3475@1.7264739	1	1	6367	1	7963	8525	1	4997	9757	1	5970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4999	1	1	1	1
Diltiazem	5648	7042	9145	5177	1	1	6457	1	10201	5896	6944	1	7416	7020	6867	3918	1	7479	1	8811	8174	13110	1	4762	4914	11080	5093	5556	5321	1	5476	7791	1	7275	5377	1	8462
1232.3281@1.725902	1	1	7985	1	8411	10007	1	8042	7626	1	7418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4704	1	1	1	1
132.0787@1.732821	1	27722	53903	1	1	58498	32011	1	1	1	43049	38468	35246	1	36600	1	1	1	24887	1	35246	29378	1	1	1	1	22920	1	1	1	23499	19561	17921	24610	1	1	1
Niacinamide	4389152	7244367	7283697	3904029	6721365	3759406	5164536	2992815	8892016	5912447	7860590	3863525	6678772	8453567	6605933	5071513	6240048	6894661	4780576	5805216	6575283	7992560	4868724	3859021	4066632	7716976	5527114	6403725	3768317	1804610	5475837	7586492	3941666	7465038	6069067	6389831	6833800
C6 H14 O4 + 1.7318975	533915	1117843	2301885	971066	970566	2517282	1527922	420777	541403	398997	1250820	1317604	1274305	735702	1525905	708948	658551	673688	647743	491184	1176055	1286565	309116	773852	387002	682070	981271	519988	367331	299389	1020354	877377	658446	885588	770027	488724	819062
271.0727@1.726873	1	1	5505	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6867	1	3775	1	1	5345	3007	1	1	1	1
Butyric acid	25854	69120	130829	59727	62025	1	89309	22702	34077	1	79371	1	81558	47037	96365	45703	1	43334	57405	29202	1	1	1	52555	26195	45644	1	1	24445	1	59902	54864	38813	1	46912	30666	53410
2''-Hydroxydihydrodaidzein	9230	7781	23898	11452	16051	8596	1	1	1	8660	12186	8107	10338	1	11107	9516	15295	1	1	6466	12831	22290	1	18755	7532	9098	34333	10140	15847	4600	8312	23266	12155	8229	9852	5761	1
371.1046@1.737	1	1	2786	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N-Hydroxy-1-aminonaphthalene	1	53861	69937	12774	9623	33095	8019	1	98275	47980	69796	50155	91136	57749	1	21965	42521	1	1	14161	82033	53783	27786	43366	1	1	1	45899	29880	1	55558	100818	67359	54068	42203	26725	1
235.1571@1.7488227	48521	1	36035	21969	1	1	50065	30479	1	1	1	41477	58789	1	1	1	1	1	1	1	28262	17665	1	28260	1	30174	1	1	47477	1	1	15153	1	1	24906	20863	1
398.1695@1.7411406	1	1	7475	1	1	1	1	1	9364	5253	1	1	1	13043	1	1	7966	7633	1	1	1	1	6138	1	6717	1	6963	9364	1	1	6541	8719	1	8756	1	7524	7943
409.1753@1.7320526	1	1	3534	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3,4-Dihydroxybenzylamine	1	1	71594	1	1	1	75244	59115	1	1	59210	1	44032	54866	28862	41399	49507	49308	19169	1	1	1	30265	1	35003	46922	39274	1	1	1	1	1	1	1	1	51014	44157
C16 H30 N5 O2	1	38658	16565	1	59866	36786	48792	1	24235	23865	1	1	17367	1	1	1	1	1	36012	11770	10812	14717	1	14009	1	1	1	23924	16217	1	35552	22779	18677	14390	26059	15077	21600
613.4763@1.7572063	1	1	56702	1	148460	51612	39783	1	68029	1	1	71322	1	82473	1	1	1	31401	1	34672	1	1	1	1	1	36826	58481	90239	70725	41775	1	1	1	1	1	71022	1
C13 H33 N4 O S2	1	1	46716	41432	1	30259	1	22109	35909	32827	44138	1	52431	41218	28974	33894	43314	1	28178	48267	49729	1	51605	11178	1	1	28887	26335	25597	19410	59887	32472	1	1	56565	23764	1
211.1212@1.756	1	1	23667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H22 N10 O3	1	1	10854	1	1	9716	1	1	14005	12583	1	5245	7215	1	1	1	1	1	1	16905	8908	1	1	21424	1	1	1	11725	1	1	9196	1	1	1	1	1	1
4-Nitroaniline	86687	342822	182930	543440	240880	268863	1636283	182877	261155	166002	268120	307780	219941	190925	203279	86169	267260	364686	162143	118513	119219	229503	701173	205921	196510	461941	264442	164755	222167	1	281362	106709	131236	321124	148189	145715	264911
Lys Thr Trp	1	1	15145	1	1	17512	1	1	22844	1	17207	1	10975	1	1	1	1	1	1	17723	11308	1	1	31110	1	1	1	20444	12495	1	11435	2926	6251	1	1	1	1
262.1435@1.769043	1	1	15461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14663	1	1	1	1	1
159.0897@1.7722211	58915	1	19767	1	1	56481	1	30300	1	1	71327	1	1	1	1	63518	61804	1	93140	1	1	1	1	1	44977	1	82082	1	1	1	1	1	1	1	1	52982	1
683.5545@1.7690859	1	1	15926	28731	1	1	1	1	36820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20158	1	21695	1	1	1	1	1	1	1	1	1	1
141.079@1.7720706	1	1	40744	38268	41589	1	54593	1	1	32369	1	30699	48344	1	43215	1	1	40816	1	28034	25962	57566	37516	29668	1	56525	1	23626	24429	45384	32402	1	1	28686	30504	1	51191
Hexazinone	142911	213203	282702	229757	254317	198028	263120	206146	252765	223062	340904	282955	254369	230029	198081	233199	226314	182444	171807	223892	188479	63866	219639	228516	156722	218428	211660	128949	182643	181473	209383	229574	147337	158871	204433	191581	178951
C37 H63 N2 O2 S	1	1	54610	87466	1	37739	1	1	24675	40822	1	1	31941	65696	1	1	73365	1	43751	39016	1	1	1	1	1	1	1	69794	1	1	56503	37212	1	1	1	1	1
C12 H26 O6	533406	751021	1022804	851173	809268	785659	958659	715789	600867	884713	1243708	1004528	988997	990045	717673	723328	876757	584890	692224	735162	965852	954880	911132	884488	670509	728934	791316	649229	665625	668560	875403	742073	446232	602669	726494	688021	652149
3-Hydroxy-4-methylanthranilate	1	525680	282543	200277	293987	390616	261958	137990	421122	554203	283234	193529	412939	180338	315835	161491	275267	189895	1	409199	292836	279070	1	304375	1	459603	359953	269829	210203	1	297054	1	193562	247866	190876	108057	218445
C13 H25 N8 O3	1	21714	33763	108955	35031	30911	45245	26251	33719	46599	46195	55889	45968	38726	1	37980	40598	28047	35178	30439	50917	43479	82355	59676	40805	1	44840	1	30333	36290	35064	37673	19156	30446	41976	30725	31079
288.1564@1.82	1	1	6852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
763.5409@1.8327395	1	1	20232	1	1	1	1	1	22228	1	1	1	1	55545	1	14475	1	1	1	1	1	17196	32505	1	1	1	1	26231	1	1	1	27565	1	1	1	1	1
C14 H34 N3 O S2	6986	263687	367108	424576	328900	266074	339423	215387	318436	353492	365025	1	399382	357098	256630	269092	315119	225454	41764	270848	387121	388957	86233	382508	307037	1	1	236473	284445	275031	386558	260868	167125	237277	408836	295281	202012
372.0402@1.8528149	3788	1	4336	1	1	4560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3857	1	1	1	1	1	1	1	1
205.0217@1.853435	1	1	5521	1	1	1	1	1	1	1	2313	1	1	1	1	1	1	1	1	1	1	1	1	2892	1	1	1	1	2912	1	1	1	1	1	1	1	1
L-alpha-Aspartyl-L-hydroxyproline	1	133813	78125	1	38225	72450	1	28926	63442	51980	78723	84844	106326	1	1	22673	1	1	22977	39299	51438	69196	1	82305	1	70907	66960	68178	1	23526	62817	53918	59027	1	32749	1	1
5,6-Dihydrouridine	56463	38541	44857	88592	27744	26735	72961	1	38229	27941	46389	1	54291	45640	48843	11219	45510	52187	1	29659	25381	48750	33889	30080	27512	49683	39780	31462	63213	1	21886	24986	19781	55622	10266	38411	54102
C27 H36 N4 O4	45377	1	49494	1	60568	30627	1	35053	1	69693	1	1	93947	249600	48747	167170	138928	70496	1	66689	1	1	1	54955	1	73934	26064	56329	36976	1	1	87832	1	91214	1	1	1
D-Proline	1	250824	79160	86752	104414	46854	1	1	53253	179989	160704	1	59590	69985	1	61905	129016	100234	65448	187572	1	58034	71056	130265	53832	113159	105315	64398	38060	1	61758	56451	65168	1	1	1	1
Geniposidic acid	1	13480	14909	5891	1	1	7585	1	7690	11257	9337	1	12419	1	6512	1	1	1	1	11939	1	13879	4291	12684	1	6652	15412	5218	7184	1	1	1	1	1	1	1	5995
591.3266@1.8793807	5048	1	12083	1	90372	1	1	1	1	1	1	1	1	1	1	1	1	1	11571	125522	110670	11413	1	66515	1	1	1	1	38831	1	1	1	1	1	1	1	1
C26 H43 N O6 S	53518	1	55002	85091	67062	1	290439	1	158292	59607	70034	542894	111954	288934	80447	189728	174941	71080	174797	73192	133263	92196	571287	60637	270151	94102	24207	104737	39360	45563	83604	116239	155570	102372	63204	185862	270723
C43 H71 N5 O3 S	75774	1	61941	73297	73527	42509	256029	54275	68244	112304	67454	418336	174578	419034	108662	289751	266775	112636	132035	82784	97951	59739	304704	83171	274685	114936	26528	154999	77886	8311	76959	154973	92182	145671	57274	174909	242605
530.3381@1.8655052	1	1	7377	1	1	1	1	1	1	1	1	5011	1	1	1	1	1	1	1	1	7433	1	1	28958	1	1	1	1	9429	1	1	1	4131	1	1	1	1
C23 H45 S3	5982	1	14832	22139	21126	1	13313	10286	20160	17203	16151	18298	21004	25865	12817	11570	17810	1	16813	8875	21544	25113	24002	14888	22143	9409	1	1	11400	9246	17082	11729	3738	11333	12619	11572	11068
Allantoin	1038232	711189	942406	1040898	1228857	668909	525153	859701	1451732	817288	1066144	655845	644950	455668	473260	845152	418292	861891	543039	522451	286243	810054	827534	1075074	682603	808508	646998	786737	605548	442676	498707	669663	900418	557412	465122	923153	393751
C3 H2 N2 O2	1	139308	186902	64005	1	1	1	1	271064	154632	207175	129376	1	1	1	1	83358	61670	1	106732	1	1	1	91010	1	159160	130268	136080	1	1	1	112431	1	1	91338	1	80850
87.0436@1.8814503	1	1	5031	1	5239	1	1	1	8607	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
379.9918@1.8967813	1	10477	11091	1	1	1	1	1	1	8183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2177	1	1	1	1	1	1	1	1	1	1	1
Urea	28752	47931	64158	27558	69425	39009	36594	23811	96947	58850	74270	50528	40426	36261	42390	23865	32774	27076	17810	1	19160	1	26354	34650	37210	65851	65034	50667	17045	1	33410	42521	18882	36354	35728	25548	31519
398.0029@1.8879452	1	6710	8602	1	1	1	1	2786	13991	5139	7045	1	2188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5419	1	1	1	2278	1	1
C30 H17 O10 S	19741	37942	38823	20822	24567	28678	20351	15313	42212	36177	35697	24384	26723	19726	23425	15865	19586	18359	6997	6456	1	28913	12563	18372	11091	28069	27648	28592	11026	3822	26582	27606	15149	22634	24716	15974	17885
239.9588@1.8839976	8057	12743	12120	9853	1	8755	6357	1	13693	10840	11158	8047	1	1	5837	1	5517	4629	1	1	1	6655	1	1	1	6683	7415	1	1	1	7387	5633	4640	4716	1	4370	1
C40 H42 N2 O	40431	1	74363	8637	294301	49230	25519	1	20129	25569	21335	20574	47386	2758	1	1	1	1	256411	1242335	510949	49462	1	192206	2262	28213	18707	16872	304941	6402	9643	24908	1	1	1	1	20446
C23 H9 N4	9092	18577	62044	10386	29904	14260	22398	7313	15412	17229	36858	32188	18672	8999	11015	7097	13875	1	1	20863	5807	72524	6151	1	6189	1	1	1	11594	1	13195	29378	10653	18219	11517	11972	12495
5?-Chola-3,8(14),11-trien-24-oic Acid	10474	10834	22158	1	194659	14894	9452	1	1	9185	1	1	33950	1	1	1	1	1	77445	846364	197843	29059	1	129062	1	1	8832	5241	92172	1	1	19207	1	1	1	1	5694
113.0228@1.8803325	1	1	11015	1	1	1	1	1	16858	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9630	1	1	1	1	1	1	1	1	1
C36 H7 N8 O2	1	6193	8273	1	1	4633	1	1	1	4962	1	3847	1	1	3820	1	3595	1	1	1	1	1	1	1	1	1	1	4921	1	1	1	4924	1	1	1	1	2616
C18 H7 N2 O10	85451	129117	119630	96147	88099	106511	84818	82961	49628	119024	119096	91234	96744	75984	90262	73409	80896	81020	42229	32686	36373	1	67259	78110	62655	96329	94388	103931	52130	40223	100954	100959	75697	92793	96796	80986	78905
366.0129@1.8802633	1	1	6609	1	4415	1	1	1	1	1	5040	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H7 N9 O2 S2	22032	30286	28964	21948	19567	24229	19777	20791	13624	26735	1	21234	20392	19576	21522	18103	18383	18656	10137	1	8976	18615	16159	18488	17711	18932	20083	19647	13851	12688	23610	23221	18294	20341	23545	17133	17975
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + 1.8877333	98222	1	107472	22598	478010	81084	43832	1	23871	43412	34087	29471	81783	1	1	1	1	1	249553	2635848	1286722	1	1	360225	9392	38128	25377	26970	288969	1	15471	41055	1	1	1	1	36581
C35 H9 N O5	4546	8814	10770	4352	1	7375	4474	1	1	9869	9625	5736	6503	5095	6101	1	5107	4316	1	1	1	7191	1	1	1	1	1	6738	2217	1	6697	7572	1	1	6636	3215	3906
668.9793@1.8920432	1	8243	6426	3301	1	4008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3032	1	1	2250	2822	1	1
279.9511@1.8864397	7874	17680	8576	9933	1	11913	8254	6511	7154	1	1	6382	1	1	8252	6668	1	5575	1	1	1	1	1	1	2781	1	1	1	1	1	1	1	3750	4677	1	1	1
Bufadienolide + 1.8836479	11289	1	26788	1	1	12371	1	1	1	11336	1	1	1	14067	1	1	1	1	1	1	209796	1	1	1	1	13736	1	6435	1	1	1	1	1	1	1	1	10569
530.2163@1.892026	1	1	7288	1	1	15109	1	1	25049	6934	1	16999	1	1	1	1	1	1	1	5565	45210	1	1	23800	1	1	1	1	1	1	9127	20432	13440	1	3374	1	1
599.4603@1.8801025	1	1	27333	80249	1	1	14213	1	62783	1	1	1	1	1	1	1	1	1	1	1	1	1	14657	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H N2 O5	8663	1	21444	21775	14060	1	18054	15838	14483	7601	1	17494	14086	17476	12304	16662	1	15508	11386	4389	1	11988	13109	11895	15263	1	10634	1	14734	15487	6430	1	16868	19211	1	16915	13054
Asn Cys Cys	1	65872	32811	1	1	1	1	1	31766	49042	47114	30756	1	1	36394	1	36503	1	1	1	1	35306	1	1	1	1	35634	1	1	1	49492	1	1	1	48827	1	36178
C8 H18 O5	2136452	2754523	4110105	4727297	2000573	4411848	2819106	2834470	2526708	1752393	2920816	2365320	2767218	2457814	2525130	1358456	2724256	1668686	2224579	1974697	3177713	3224935	2023429	1862379	1711503	2006181	2798157	2195000	1174917	1300516	2003174	2170637	1251861	2239889	1348419	1983898	1849096
255.1514@1.897199	1	1	50569	1	1	1	1	1	1	1	1	1	1	32363	36340	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
220.1115@1.8988367	1	1	57252	51067	1	46505	1	1	1	1	43014	1	1	1	1	1	35079	1	1	1	1	73149	1	1	1	1	39833	1	1	1	1	1	1	1	1	1	1
C3 H6 N3 O6	1	998201	499015	1	1	690636	513090	1	538749	756089	679067	507876	568241	506013	522273	1	534048	1	1	205706	246257	402673	1	1	1	560764	537655	674588	1	1	711369	686902	1	663266	701323	1	532386
L-Cladinose	20284	1	38865	1	1	40203	24331	1	21246	1	30460	21788	25872	19983	1	1	1	18208	21076	19636	26539	32274	20222	1	17459	21390	34104	20882	1	1	20261	19999	1	1	1	16810	20287
150.0891@1.8978899	34192	1	50842	1	1	1	1	1	1	1	1	1	1	1	31794	1	1	1	1	1	43276	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
260.1047@1.9200838	1	20959	30582	49781	1	30701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
430.2692@1.8801879	17876	44132	9597	1	52337	1	1	1	1	1	1	1	15029	1	1	1	1	1	50421	42069	129428	1	1	58569	1	1	1	1	49837	1	1	4493	1	1	1	1	1
61.0525@1.9037929	5920	7998	6644	1	1	5999	4383	1	1	6391	1	1	1	1	1	1	7510	6038	4986	1	4972	1	1	4797	2513	1	6296	1	3959	1402	4046	1	1	1	1	1	1
Leu Tyr	62162	1	35776	12075	200101	52614	21601	1	6971	20799	6442	12324	42615	1	1	1	1	1	1	1	528019	18016	1	223845	2728	20162	15475	17461	1	1	10488	23213	1	1	1	1778	19523
D-2-Aminobutyric acid	41606	60795	38553	22544	30711	30571	1	1	25971	42592	39236	36665	24704	27371	35693	24961	28667	29744	29564	38476	34201	34371	25297	35162	17164	1	37456	21280	27893	1	30194	20537	1	18828	1	1	21554
296.9774@1.903624	1	1	2289	1	1	1	1	1	1	1	2713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
299.1558@1.9027947	1	1	5612	1	1	1	1	1	1	1	1	1	1	1	1	1	2965	1	1	1	1	11890	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
363.0651@1.9101545	1	1	7143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3243	1	1	1	1	1	1	1	4847	1	1	1	1	1
366.078@1.912	1	1	4331	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Phlorizin chalcone	1	1	9033	1	3434	5878	1	1	1	9637	19214	1	1	1	1	1	1	1	1	10506	1	1	1	1	1	1	6058	6877	1	1	1	1	1	1	1	1	1
C13 H5 O6 S2	11652	1	6870	10582	1	9515	8884	1	9801	10742	7211	1	9061	6986	7931	9122	7595	9362	1	1	2630	4055	9226	6514	8776	6328	7550	9830	1	1	11054	10782	1	10696	5434	9485	8980
205.0217@1.9233541	1	5601	10402	4656	4508	4073	3976	1	1	1	1	1	3279	1	1	1	1	1	1	1	1	1	1	7296	1	1	1	1	1	1	1	1	4877	6173	3951	1	3768
507.3403@1.9101657	1	1	15990	61185	1	7607	17890	10989	1	1	9273	9021	19458	33781	1	1	1	9463	27871	1	1	15047	52598	31109	32200	9713	30687	18968	17324	1	26634	21665	1	1	30196	18427	7555
300.1113@1.9485124	1	1	15746	1	1	1	1	1	21514	11269	24847	1	31812	1	1	12789	12425	1	1	1	13946	14135	1	50875	10685	30412	1	14331	23102	1	1	1	12059	1	14954	1	1
C17 H22 N2 S2	77209	1	18418	16703	46023	28011	59633	22989	28041	13549	27513	38770	56521	1	40621	25001	29664	18008	39412	73283	32051	56822	20975	74631	1	48747	69254	28615	43245	11552	16555	26024	25069	7523	27541	38032	1
2S-amino-pentanoic acid + 1.9324512	215609	68903	135468	61317	749350	61817	177198	72625	554727	85057	95364	127761	108475	105291	135300	112744	100390	349619	93939	115121	136418	203164	96952	145801	67883	141817	86027	75597	102522	29263	76975	105301	57863	165118	87022	111134	124010
657.5025@1.9323848	12156	1	111676	44629	27584	1	53133	1	132729	75217	1	93501	1	91279	1	31632	116994	1	1	1	1	1	1	86630	53125	79470	94761	89387	51034	11531	138391	73608	1	1	1	98795	41650
C12 H25 N O3	59887	1	38517	27356	47985	40653	1	9106	32509	1	26061	17801	33117	30727	1	27760	1	6658	1	1	26261	15692	57852	1	14955	24033	46227	21518	8446	9144	58276	30020	8286	19359	6067	1	10024
141.079@1.9346032	66815	19239	34611	1	1	1	111873	54449	1	1	1	1	1	1	62974	1	1	1	1	1	1	1	22633	120277	1	1	1	1	1	35726	1	1	1	1	1	1	1
2-Methylbutyrylglycine	481222	1	207614	983411	164847	107933	799568	429651	88523	1184578	1251443	940394	1770292	99437	646270	630934	817880	115239	144684	1905538	659414	290698	224274	1093061	644255	1275737	199200	966961	424313	259236	98197	247380	478055	614504	153585	966144	2210634
C15 H27 N O2 S	1	1	26580	1	21680	22043	28173	16158	1	1	27062	1	1	1	1	20050	1	1	1	1	40336	33102	1	28167	21190	21663	31044	1	1	1	25276	18035	1	22015	1	19968	12776
502.3073@1.9467872	1	1	42917	1	1	1	1	1	10352	8029	1	37157	1	1	1	1	1	1	1	1	52743	1	1	71541	1	1	1	1	64569	1	1	17215	34478	17190	1	1	1
524.2896@1.9482285	1	1	12781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69108	1	1	1	1	1	1	1	1	1	1	1	1	1
727.5808@1.9464378	1	1	14788	34532	1	20780	1	1	56260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51058	1	21329	1	19605	1	1	1	1	1	1	1	1
Quinolin-2-ol + 1.9616449	65772	33395	31859	53791	84679	42113	45390	36333	37085	34608	76995	39339	49581	53828	62189	41376	46460	49598	76878	39735	22582	32607	30570	37303	68555	165396	147681	36868	24782	1	27267	1	24217	16746	15905	27236	24970
C14 H32 Cl N2 O S	1	1	30674	41581	25982	22333	26797	31436	25580	26529	29890	29039	50835	31121	30873	21754	29885	1	22025	1	30447	41037	30916	35007	24928	38241	22642	25324	18164	28122	34566	1	15141	28186	39238	24806	17536
S-Acetyldihydrolipoamide	8875	17064	55593	1	38039	8270	1	1	26781	12261	17681	12412	1	12377	23827	17415	26051	1	1	41296	8458	65042	1	11408	9486	1	1	17564	1	1	11882	74979	1	19848	1	10524	17590
309.1241@1.9941157	1	1	7449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
500.2916@1.9959902	1	1	12720	1	1	1	1	1	1	1	1	7953	1	1	1	1	1	1	1	1	1	1	1	70040	1	1	1	1	16816	1	1	1	7237	5694	1	1	1
699.5504@1.9957888	1	1	26949	56246	1	29024	1	1	83357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34077	1	1	1	1	1	1	1	1	1	1
C30 H67 N4 O10	7613	1	94817	46273	64244	1	1	47301	1	68285	44825	1	1	63857	59119	1	82491	64145	30553	1	77102	1	1	1	77737	1	78095	22338	1	39904	1	1	1	1	1	39106	1
346.2982@2.0142188	1	1	13206	1	1	1	1	1	7126	1	1	6617	1	1	1	1	1	1	1	1	1	1	12324	1	1	1	1	1	1	1	15247	1	14655	1	1	1	1
522.1002@2.031166	1	8539	2060	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H25 N O6	119454	1	204677	103711	140844	159239	156570	113084	136918	144480	214876	178161	151532	113831	141516	130220	114243	131886	76148	153497	104307	147790	100655	129699	99126	151363	130641	119399	104149	135436	115140	140123	122945	111038	145117	128705	121049
240.0864@2.004	1	1	15761	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
172.1213@2.0045083	19058	32061	25162	21527	14232	1	1	1	1	25251	1	25995	20494	1	21255	1	25291	1	1	25259	1	23452	1	18395	1	1	19962	1	1	1	21555	1	19797	1	1	26592	1
C15 H29 N O3 + 2.018942	1	1	52575	68122	52938	61600	1	16305	40369	16115	26405	19643	49630	39723	14928	48467	37143	1	1	25149	22981	36665	23161	37727	50282	34531	85368	32273	39863	13448	41376	22857	1	27958	1	34171	19353
Hexazinone + 2.021875	602642	505715	1182108	1068647	914132	926270	1095264	854528	1137611	1039132	1319678	1154443	1090702	1197095	830337	759701	1027365	641653	783994	853789	1322513	1231249	1149615	1086551	823344	818652	971011	842745	778510	696110	1074467	885959	469266	764638	825089	784730	712679
443.0551@2.02	1	1	4807	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H25 N8 O2	42671	1	169312	1	168779	129819	181904	1	167064	167763	201716	1	1	176114	141162	146494	1	119098	1	155977	1	205209	217120	165163	130882	141922	162732	98680	113409	162059	1	147978	98989	111858	1	1	102292
Ethambutol aldehyde	1	1	18304	13517	18173	1	10344	1	8685	1	7867	1	10686	12434	7729	9881	10920	10538	8163	1	1	15258	11678	1	9593	12870	13768	1	7664	1	12091	11532	8582	1	7668	1	1
C22 H29 N2 O S	1	1	6820	8017	1	4149	1	1	6753	7359	8584	9675	1	9193	1	7420	1	5403	1	6236	5109	11306	6824	9576	1	1	6072	2738	1	5730	8996	5479	1	1	9843	4849	1
N-Methyl-4-pyridone-3-carboxamide	667346	522769	886127	306227	716689	317871	782678	407942	634196	390461	618578	441483	612330	692996	509805	347693	382737	577243	386128	277094	696065	886432	464351	769723	268396	1162468	488469	621429	549465	188942	383267	699795	246559	671871	585738	552152	536877
C14 H30 O7	1	1	115764	683064	440778	78903	496150	269395	457107	509282	494372	562579	614083	90848	382628	367621	459781	316190	365198	414061	627804	597386	668159	576130	445813	374335	393455	376409	426418	364967	552344	87016	247069	360296	514776	401926	66966
327.2253@2.0783155	71133	1	387698	1	1	313482	1	1	1	1	1	1	1	405479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76817	1	314238	1	1	1	1	229573
C18 H34 O5 S	21328	1	102567	53964	72641	48885	15445	8361	1	1	1	1	71811	20607	92094	59184	10417	35171	1	1	1	1	40611	45967	1	81082	1	1	1	1	1	1	24192	88680	1	68170	23895
Orsellinic acid	1	26509	40581	1	24160	1	1	1	24496	1	27367	18463	1	1	1	1	13252	1	1	43846	1	30150	1	1	1	19424	1	18278	1	1	16058	17927	1	1	1	1	1
1245.3375@2.110996	1	1	6802	1	16417	17615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
145.0735@2.1205897	1	1	21061	1	1	1	1	1	1	1	1	24319	1	17711	1	1	1	1	1	1	1	14149	1	1	1	29788	1	15008	1	1	1	1	1	1	1	1	1
C5 H9 Cl	10038	1	9173	6658	1	12110	9396	10196	12129	11026	12533	7307	1	13903	1	10213	11002	9188	1	5798	9282	1	1	8161	9218	10624	1	12065	7414	1	10965	11160	7957	10573	12099	10137	1
C20 H28 O2 S	1	26878	21091	10978	30040	12542	9366	13160	13630	28551	17594	8004	1	25966	1	1	19774	1	12215	33776	14398	18979	21801	26652	8043	22064	16339	22366	9509	1	29466	24357	1	11148	18888	1	1
1169.3315@2.118	1	1	17224	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
8-hydroxy Guanosine	8156	1	6760	1	10678	1	5934	1	1	6425	1	1	4754	9918	1	6116	10161	1	7251	10983	1	7411	6118	11223	1	6375	7219	1	5714	1	7429	8945	1	5498	5065	1	1
1242.3531@2.127	1	1	6662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Urea + 2.1285865	1379641	2420601	2014013	846283	2005298	1837856	1497073	1617857	1677725	2051129	2400274	692883	1256772	1807386	1220139	1445175	1633658	1543162	865606	1910055	1153228	1757069	1486622	1246707	1056128	1747731	1887823	1746131	716609	370828	1803886	1549056	1076999	1360653	1861785	1482388	728768
C19 H23 N2 S	15279	1	13514	1	1	1	15007	1	10058	12372	14966	8963	1	14541	1	1	1	1	10526	12710	11360	13874	9447	13448	1	1	1	1	1	1	9820	1	1	1	1	1	1
C15 H10 N3	32153	1	47248	18127	27487	16579	44389	12215	17083	26394	42429	1	20049	24048	14088	23559	25778	15357	10522	23659	1	40754	21010	20221	16991	29264	25051	17216	1	1	22116	21943	1	14756	28430	20929	1
231.0906@2.143	1	1	11400	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
289.027@2.1474733	2687	1	3078	1	1	1	1	1	1	3004	1	1	1	1	1	1	1	1	1	1	1	1	1	3242	1	1	1	1	1	1	1	1	1	1	1	1	1
Glutathione, oxidized	14880	9280	20844	1	17599	1	16004	1	1	1	8048	1	1	1	1	1	10699	1	1	15388	1	21785	1	22814	1	1	1	1	1	1	10696	17800	1	1	1	1	1
304.9967@2.1514983	1	1	2882	1	1	1	2323	1	1	1	1	2405	1	1	1	1	1	1	1	1	1	2759	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
230.0576@2.1542416	8642	1	9756	7941	1	1	13086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13658	1	1	4041	1	4166	1	1	1	1	1	1	1	1	1	1
462.0789@2.1503658	24833	1	29995	15478	1	1	1	18056	1	23654	15084	18200	1	1	1	14663	18328	1	1	1	10678	1	16365	1	1	16085	1	14274	7966	1	21267	1	1	14081	12064	1	1
334.0312@2.1510727	3174	1	3302	1	1	1	1	1	1	1	3690	3301	1	1	1	3008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2120	1	3116	1
461.0815@2.16799	1	7022	10301	1	8959	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10784	1	1	1	13413	1	1	3968	1	1	1	1	10257	1	1	1	1	1
448.2601@2.1530676	1	1	2040	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10917	1	1	1	1	1	1	1	1	1	1	1	1	1
358.1046@2.1496568	11163	1	17263	1	13697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H28 N5 O2 S4	1	37177	5001	20264	17866	1	1	1	1	12700	5750	1	1	13013	12028	1	1	1	8146	1	1	7731	1	1	1	4345	14442	7513	1	1	12432	13352	1	1	13831	1	7235
186.0508@2.1568692	9987	1	10879	1	1	1	8544	1	1	1	7485	8914	1	8280	1	7957	6793	1	1	17535	5562	14273	1	1	1	1	1	1	1	1	6660	11186	1	6349	1	1	1
627.1851@2.1533132	3020	1	3767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3910	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C27 H35 N O14 S	20024	1	23257	10540	13172	1	26229	1	1	11529	1	1	6375	1	1	1	1	1	1	10554	1	26358	1	20304	1	11378	1	1	1	1	1	13267	1	1	1	1	1
508.1782@2.154225	1	1	15065	1	1	1	20742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.21@2.156	1	1	4901	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
225.102@2.1579475	53934	1	61889	41566	31536	14884	75518	1	24396	24642	39628	42880	37095	25710	15052	1	30321	19524	14599	1	19617	1	34362	54349	20704	21779	1	15050	15568	1	23566	30606	27437	23959	20958	1	1
6-methyltetrahydropterin	36780	1	49804	30048	1	18449	50696	1	18733	26667	37125	33745	25227	21121	1	21518	22464	14110	1	65072	13961	81679	1	44070	1	23626	15708	1	1	1	20794	28158	16885	14455	19936	23577	9931
384.101@2.1542182	26176	1	23760	1	1	1	1	9696	1	1	18865	1	18138	1	1	1	1	1	1	1	10052	1	17254	1	9979	12718	1	1	1	1	1	1	11318	1	1	1	1
224.1053@2.1575422	12163	1	13454	1	1	1	19467	1	1	1	1	1	9349	1	1	1	1	1	1	1	1	28475	1	12910	1	1	1	1	1	1	1	1	1	1	1	1	1
440.0968@2.1572428	1	1	89769	1	1	1	76009	1	1	62178	53621	52503	1	1	1	1	1	1	1	68487	1	117857	1	111881	1	1	1	1	1	1	1	1	1	1	1	1	1
469.1772@2.157	1	1	6618	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Diazepam	1	1	24917	14487	1	8975	13717	15643	1	20036	1	15912	8598	1	6868	10809	12009	5920	1	1	7623	24300	1	20413	1	8332	1	1	5313	1	1	1	8329	9236	1	5388	1
353.149@2.1588674	145800	1	192626	1	131759	1	221298	74050	1	97989	1	1	75803	1	36781	72183	78844	49549	1	1	1	1	79146	148843	1	66279	47127	1	1	2256	1	83555	1	1	54942	54879	17056
Faropenem	74977	1	100972	55412	1	39478	63198	68355	1	90344	52933	59273	32420	58173	25857	46935	53232	23995	21856	1	31650	86521	34348	98202	15873	34160	22585	37908	23062	1	52193	71740	32398	39542	29724	21847	10058
C13 H21 N11 O7 S	85054	1	11405	7079	70360	1	12639	49506	1	1	8146	8684	1	5226	3656	1	6247	4886	1	4884	1	12909	5358	5770	1	38892	23651	1	16739	1	4295	1	3629	31945	29219	1	1
370.1631@2.1603625	1	1	47850	1	1	1	8345	1	1	1	32711	1	1	18570	1	1	1	1	1	1	1	1	1	1	11327	1	1	11215	1	1	1	1	1	1	14442	1	1
Convoline	1	1	68787	17306	35574	16804	45907	23485	22851	27660	37391	26908	25599	28636	12386	36617	24275	25689	10842	50498	7988	100036	35089	29966	19660	23963	19082	9505	9321	1	18110	16566	11361	30714	13185	13298	6054
C12 H25 N S3	24118	1	137954	24930	87727	15521	42913	12998	55088	41434	50768	36144	31503	10407	18704	10005	15478	1	6934	103420	7448	204901	12225	26440	15812	43814	28620	8435	7557	1	10857	9275	17979	20036	8095	7013	10688
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate	1	1	37950	1	21397	15213	7182	1	30616	29513	44062	19914	4505	3361	1	1	1	1	1	44089	1	39196	1	8755	1	1	1	8986	1	1	14634	11883	1	1	1	1	1
276.1207@2.1662998	1	1	38217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42047	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
336.1241@2.158981	16690	1	19531	1	25363	1	18731	1	1	1	16114	1	1	1	1	1	1	1	1	1	9968	26247	1	10838	1	14532	1	1	1	1	1	1	6761	1	1	1	1
647.1876@2.160463	1	1	3467	1	1	1	1	1	1	1	1	1	1	1	1	10309	1	1	1	1	1	1	1	1587	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H27 N4 O7 S	27239	21751	27015	113276	1	55499	30918	1	73246	14208	161041	189591	12743	84575	1	10737	9878	7563	26964	155319	52377	339155	13622	23238	38726	10609	5730	41605	29979	1	76698	11752	60436	56222	7083	7251	1
C26 H32 N21 O	1	1	15873	1	59804	31383	10161	3752	38611	24194	9463	27138	1	1	1	17941	15975	12220	1	21166	1	1	1	15480	1	1	1	17877	1	1	24528	1	1	1	1	1	1
C23 H31 Cl3 N O3	32441	1	3466	1	25105	1	5006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36291	1	3758	1	1	1	1	1	1	1	20524	1	11776	1	1	1
415.1667@2.1616833	1	1	35896	1	1	1	3789	1	16438	1	1	27124	1	1	1	1	1	1	1	1	1	4435	1	22963	1	1	1	1	1	1	1	1	1	1	1	1	1
361.1227@2.1601121	11860	1	46988	36156	1	1	79910	1	1	1	51200	1	1	1	1	1	1	1	1	1	1	81819	1	30296	1	1	1	1	1	1	1	1	1	1	1	1	1
Bergenin	9081	1	16428	12353	8948	1	22904	6382	7953	7602	16993	13121	10612	7019	4640	1	9236	1	3633	5575	1	17300	1	10117	1	7299	1	1	1	1	8055	7804	6599	1	10848	9696	1
500.1335@2.16041	6255	1	8247	1	1	1	1	1	1	1	7785	1	1	1	1	1	1	1	1	1	1	1	4689	4952	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H25 N2 O3 S2	1	1	12875	1	6041	1	17502	1	1	1	1	11317	9735	1	1	6713	5982	5002	1	3900	1	12703	6777	9305	1	6189	1	1	1	1	6003	7049	6032	1	1	1	1
C14 H19 N O4 S2	22053	1	25936	21085	14604	16060	28063	16344	16025	17442	26097	21712	19064	16816	10382	16918	17275	13306	7912	11322	11472	22313	16966	17378	10996	12366	9703	8986	8523	3176	15458	15191	14161	11369	13182	13442	6918
362.1193@2.1610558	3390	1	100471	72919	1	1	206464	1	58177	1	5713	89244	1	34148	1	11673	58014	1	1	44565	1	37471	1	76502	1	49529	1	1	1	1	1	1	40998	1	41760	67607	1
377.1533@2.16249	6508	1	5504	1	1	1	8423	1	1	1	1	1	3981	1	1	1	3759	1	1	1	1768	10122	1	3705	1	1	1	1	1	1	1	1	1	1	1	3609	1
771.6068@2.1638799	1	1	28236	60224	1	28037	1	1	71052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48965	1	38727	1	27166	1	1	1	1	1	1	1	1
Chlorambucil	7307	1	8725	7093	90253	1	6889	1	46584	9063	1	6243	1	6110	1	5681	1	1	3077	137547	4717	7344	4471	9398	1	4378	1	1	2978	1	5903	6264	1	4363	3729	1	1
441.1638@2.165169	1	1	2903	15143	1	1	38489	1	1	1	24872	3627	20034	1	1	1	1	10774	1	1	1	24576	1	1	1	1	1	1	1	1	6020	1	12507	1	9768	15927	1
5?-Deoxy-5?-(methylthio)adenosine	1	1	33997	13420	8323	8011	6164	1	1	14475	15501	11859	7432	1	1	1	1	1	1	23699	1	1	6246	19883	1	11784	1	10081	10738	1	1	15845	8884	14209	6100	1	1
Muramic acid	22274	1	24667	23738	1	14130	40797	9717	1	1	28460	20345	24462	1	12454	1	12261	16567	1	1	1	34319	19659	1	15401	1	1	1	1	11142	13860	14068	17789	10765	1	19442	14547
423.1527@2.164132	12967	1	12087	1	6755	1	1	1	9810	1	1	10948	1	5410	7283	8518	6545	1	2660	1	1	1	1	1	1	7809	1	1	1	1	1	1	1	4101	1	1	1
440.1663@2.1641538	1	1	9826	7749	1	1	20921	1	1	1	15628	9215	12552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
323.1204@2.168748	1	1	10518	1	1	1	1	1	1	1	3304	1	1	1	1	1	1	1	1	4108	1	15994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
169.9625@2.1758614	7531	1	4046	1	1	1	1	1	1	1	1	1	1	5274	1	1	1	1	3785	1	1	1	1	1	1	1	1	12125	1	1	1	9716	1	1	6689	1	1
140.0331@2.1696727	1	1	47235	1	1	1	1	1	1	1	1	1	1	28872	1	1	1	1	1	1	22527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
269.1092@2.1706262	11405	1	9736	8577	1	5074	16628	5899	1	5272	11514	1	11704	17361	5444	6571	6630	7967	1	1	6634	12999	7890	21414	1	7720	1	3179	1	1	3558	1	8054	1	22995	7443	4783
369.1994@2.191	1	1	2334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
687.5128@2.2006452	1	1	60180	1	40047	33468	54592	22692	75771	1	1	75303	1	45084	43593	1	51286	1	31679	1	1	1	32955	1	15381	26265	1	40667	35667	1	1	1	1	1	1	55583	25550
172.0846@2.2207508	1	1	49059	1	1	1	1	1	1	26107	1	1	1	1	1	1	1	1	1	1	1	54633	1	1	1	1	1	1	1	1	1	45134	1	1	1	31607	1
Metaldehyde	58657	1	94772	183649	86248	75905	78125	70642	96399	90092	112128	83153	73281	95496	65146	74690	87705	51647	60384	104977	108978	22056	96120	89322	1	69671	78876	59659	70913	1	93546	1	1	1	80771	72131	53844
369.1795@2.286978	1	1	18592	15254	1	13508	24799	1	17928	1	37146	12455	18049	9728	12358	1	1	13050	1	1	6452	12436	17984	1	1	10278	1	7476	1	1	1	1	1	1	12690	16202	8789
C10 H22 N3 O3 S	107535	1	194070	353672	158571	161672	232056	120923	196573	145266	273503	185862	218188	153954	145335	132566	69665	46424	52210	51643	175893	241609	212265	1	158751	158320	197556	1	107407	41202	143621	111067	85030	117455	157945	165221	54507
132.0785@2.288095	23961	1	44516	86911	1	35629	38007	29519	40049	41454	1	39429	39547	42893	1	30126	43362	23944	1	39097	44111	50117	1	42247	29507	1	1	36244	32058	1	1	1	19660	30788	1	31474	1
C13 H31 Cl N4 O2 S	46713	1	68239	117086	40162	64114	97697	41617	75188	40618	110109	67548	74867	40029	48442	46386	59693	55060	36982	13719	57179	75580	61720	29087	60659	46413	60552	35169	28010	68405	40139	32083	29596	39893	48182	65847	51155
C9 H26 N6 O3 S	99995	1	144233	242675	101417	113731	168362	94908	148556	108167	198458	135666	160091	132623	101748	102937	131583	101903	94315	61890	142052	182895	154954	98197	127714	112690	138649	92423	80189	130941	108472	84234	66392	89968	124111	116052	107576
Angustibalin	14212	1	18266	36308	1	16667	22712	14696	29278	16172	28563	19414	20324	15894	13812	13532	18617	1	15144	7225	19523	28596	22611	13260	18172	18050	23007	14722	10776	17700	16773	13751	1	1	16157	18172	14052
C11 H27 N4 O8	91634	1	171093	281212	122584	144747	233743	98825	189794	93748	277857	168162	218307	101327	132655	113986	133915	125831	81782	33064	138903	183760	177655	87534	150066	145655	182520	80203	62872	129333	91826	55915	78354	74500	142957	154324	136587
C10 H27 N4 O4 S	375191	1	627874	1084902	457318	522266	719632	382535	652101	507466	904813	605669	697150	534807	490380	427313	529956	442173	410615	301890	580546	764195	677100	463417	498145	510193	620517	359416	312044	508788	460943	339520	264899	370133	478263	507587	452633
Pirimicarb	6588371	1	1.15E+07	2.45E+07	9575436	9274544	1.08E+07	8725417	1.11E+07	1.13E+07	1.27E+07	1.13E+07	1.06E+07	1.23E+07	8194511	8697113	1.12E+07	6957015	8487087	1.13E+07	1.29E+07	1.38E+07	1.32E+07	1.15E+07	7844621	8916865	1.02E+07	9023556	7955641	8064637	1.04E+07	9261568	5007224	8150564	8472660	8134860	7030594
C6 H12 N3 S	23692	1	37726	58886	27756	26856	42918	23316	35901	28878	1	31696	34755	29641	29364	21992	33121	24773	23053	1	30055	39795	34575	23045	29834	28395	37020	20209	1	20302	24523	21646	1	23993	30026	29469	28875
2-Fluoroaniline	39001	1	53231	85703	45141	42962	62190	30000	57950	36778	75747	51309	68488	40050	38278	31390	43520	36555	36086	1	49426	60125	50971	26844	38947	49694	50797	32728	28014	1	39375	25921	28646	37796	45955	43922	37412
246.1891@2.288	1	1	3245	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H19 N3 O	6854	1	9536	20520	1	5728	9135	1	1	10274	11989	9792	7256	9273	1	1	1	1	1	1	9027	7480	11269	8384	5724	8803	6909	6743	1	8976	7273	9061	1	1	8053	1	5913
288.0775@2.2789478	1	1	10236	1	1	1	1	1	1	5720	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
245.1311@2.2885628	17788	1	30473	1	22090	24949	1	18096	31216	23055	1	1	1	26159	1	21687	25080	21969	18185	1	23847	34773	1	21202	1	25431	1	17293	1	24541	22693	18512	16883	1	23010	26177	1
3-Imidazole-2-oxopropanoate	20541	38965	32961	21148	27198	29364	26010	1	26299	21860	39338	33832	32479	1	15495	1	18063	1	1	45478	23990	45973	1	1	1	40529	30416	23141	1	1	17719	21430	18966	1	1	1	1
C8 H6 N2 O3	16080	28559	24819	14464	19081	16189	14863	1	22186	14834	24669	20304	22714	1	11849	1	1	1	1	30276	15469	22621	7629	1	5543	26353	19675	20716	1	1	12714	12419	1	10892	6881	1	1
Uridine	337436	603644	567071	346907	472407	388669	393745	177398	464840	387302	545494	498261	566023	241629	273000	167060	238555	218182	150452	676687	409704	673066	176735	485025	157246	600774	484056	408254	290338	176611	327838	312044	314170	249606	155289	159075	214427
N4-Acetylcytidine	1	42224	23203	23968	16411	22438	19285	6876	24848	14365	22668	52039	80046	1	11963	7359	9562	9247	9002	37586	55243	25062	6496	48177	4719	55948	48719	31919	24009	4321	1	12203	29219	9323	7381	1	14955
Lupanyl Acid	1	105589	66019	1	1	50332	1	1	31136	14406	36621	16595	1	1	1	1	1	1	1	1	11519	1	21080	14330	1	1	8303	32101	1	1	46254	20397	1	1	1	1	1
C3 H8 O2 S	1	23186	10639	3948	16376	13994	1	1	12841	9614	14116	1	5517	6397	10861	1	9782	4632	8672	28912	17225	1	13169	17772	1	10393	10484	1	9937	1	7561	11765	1	1	1	1	1
C13 H28 O7	1	1	421535	607663	402209	315885	436738	239135	380057	448394	419021	468081	537751	457462	299425	319995	397165	293641	320997	390307	530331	547999	626756	483346	389108	331905	353845	376877	336795	364052	496773	370273	193277	318954	440728	307499	235063
Dipropyl disulfide	1	26586	22489	1	1	11998	1	1	23510	15935	17780	1	1	1	14056	1	1	1	1	1	1	13851	1	1	1	39681	35119	13405	1	1	1	1	1	1	1	1	1
C19 H35 N O3 S	1	1	42702	63230	62529	1	39906	1	34746	1	24950	57285	47076	1	1	28855	41933	29033	1	29891	55063	50241	1	36572	1	28687	59867	22968	23272	1	53109	39212	24566	1	49034	1	26598
139.9963@2.4252782	1	43772	12640	1	1	1	40953	1	1	1	1	43483	20619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9673	1
C14 H35 N4 O7	1	1	71081	234445	156516	54425	93404	1	46078	104527	89375	146810	191154	116479	65570	96041	1	42899	1	68804	53558	176793	179322	114674	111751	74557	1	1	1	25797	114161	1	1	58095	94856	1	1
255.194@2.452	1	1	25152	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
244.9749@2.4866467	1	1	64347	1	1	1	7724	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
212.189@2.454	1	1	10652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
136.0386@2.4617891	1	1	17346	1	1	1	15645	1	1	15280	1	21260	1	1	1	1	1	1	6709	33281	13178	20077	1	14519	1	1	1	1	1	1	1	1	1	1	1	1	1
139.9963@2.475423	65544	45280	27590	1	1	1	94013	1	1	6332	1	81440	38035	23664	23847	14434	1	19340	1	1	1	23267	11886	1	36979	22853	1	1	1	11581	1	25732	1	45810	1	21848	1
309.1224@2.4901912	1	1	8384	1	1	1	1	1	1	1	12449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Pantothenic Acid	152348	1	789101	192854	765454	296903	266325	139429	521177	585845	520407	326555	298742	146990	246425	129517	162101	113277	135932	951884	168237	588991	129042	307659	166037	487928	411117	196165	123914	1	181603	167809	163475	309521	115878	107909	153471
317.1283@2.5220628	50679	1	119270	71060	109338	97971	96660	1	102001	98730	154571	74052	102133	1	75105	1	6494	1	1	15938	1	102137	1	59426	33104	129411	136332	1	9478	1	1	1	46339	81430	1	1	37810
461.2982@2.4915957	1	1	2395	10434	1	1	1	1	1	1	1	1	1	5427	1	1	1	1	1	1	1	1	5092	1	1	1	1	1	1	1	1	1	1	1	1	1	1
245.1071@2.5156426	1	1	15580	1	1	14098	17585	1	1	1	1	1	17500	1	1	1	1	1	1	1	1	1	1	12424	1	19645	22133	13181	1	1	11417	1	1	12385	1	1	12509
323.0843@2.513	1	1	2531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
MG(0:0/24:1(15Z)/0:0)	7236	1	13891	5089	16278	11713	6686	1	1	11394	10286	16508	8054	7303	6475	4785	1	5596	1	1	7893	6892	5380	8578	3849	1	1	1	1	6356	8128	2733	1	4571	1	1	1
503.3118@2.5357451	1	1	23669	27405	238554	1	1	1	1	1	34911	1	70714	81767	1	1	1	1	19771	19055	1	236262	91151	1	48906	132275	80834	1	1	1	1	1	1	1	1	28256	25150
4-Acetamido-2-amino-6-nitrotoluene	1	99556	26059	1	48848	35307	19746	1	23675	42045	30402	1	22785	27172	14944	1	30521	1	28179	68213	1	16918	1	1	1	29662	37681	49275	1	1	23994	1	1	1	1	1	1
140.9914@2.5398774	1	1	11590	1	1	9694	1	1	11475	1	10524	1	8233	1	1	1	7282	1	1	56410	1	17002	1	8417	1	1	1	6857	1	1997	5947	10470	1	9630	3157	1	1
C7 H5 N O2	1	708868	1174524	23613	1061336	1	1027956	496319	903657	1	940884	618546	744059	736038	1	362877	378329	683714	27210	23750	1	1192509	568331	915476	1	1509735	1	693804	588749	1	455572	775162	25014	846432	683268	640550	696327
4-Hydroxyaminoquinoline N-oxide	46253	37198	57038	20345	56907	22569	56411	23978	48248	28601	47357	31420	38384	38903	33132	18789	20039	35146	21927	1	38535	61019	29648	49160	16215	66957	26956	40328	32587	1	24048	40731	17625	48373	36110	30787	36296
279.1126@2.5692499	12079	1	30968	22466	24523	10475	37970	1	1	12450	25877	22437	43932	1	18098	1	7859	1	1	1	1	21697	1	1	23721	19918	14147	1	8088	1	1	1	20107	24517	1	1	18516
L-Glutamate 5-semialdehyde	36809	1	65017	1	73372	24589	32346	32376	25795	22089	57535	66671	34037	49753	24475	1	21220	18211	14680	63614	29436	106255	28341	35863	31046	36470	23285	1	44624	1	40408	44008	35941	1	32068	31984	36705
164.0687@2.573	1	1	39915	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
365.1301@2.58091	9187	1	25269	1	17329	10632	1	1	17901	12542	36661	1	15673	1	18627	1	5999	1	1	1	1	1	1	1	1	9432	10336	1	1	1	1	1	1	11528	1	1	1
250.0862@2.5854726	1	1	64921	1	1	1	1	1	1	1	1	18049	1	1	1	1	1	1	1	1	1	72921	1	1	1	1	1	1	1	1	1	1	11590	32213	1	1	1
150.0542@2.5846255	1	1	27020	1	1	8180	1	1	1	1	14560	1	1	1	1	1	1	1	1	1	1	16150	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
282.0963@2.5846524	1	1	18285	1	1	1	1	1	11239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H23 N8 O4	10826	1	25627	22346	20440	15558	21466	13538	22546	25175	31832	22554	22815	21268	17585	21991	22695	16383	14888	27053	19897	42794	18693	25038	15198	17237	18137	9209	24320	45128	19632	17903	12581	11636	24323	15222	12692
D-Asparagine	113712	1	27179	72639	143901	20382	122238	107895	14448	19509	136141	1	59372	56925	170271	85274	72518	99157	37314	38689	1	174220	47593	15954	143976	197146	227231	1	27641	32364	19995	1	1	27975	13197	58630	64920
277.0981@2.6674764	1	1	20833	2822	1	1	1	1	1	1	1	1	4320	1	1	1	1	1	1	1	1	1	1	1	1	12062	1	1	1	1	1	1	1	1	1	1	1
C9 H19 N4 O5 S	240356	1	1867038	1	1565747	1014500	1263608	371996	2073385	1339056	2578552	1067373	1406904	391876	909691	739408	756351	299351	44361	836163	419366	2180083	1	730841	1320750	1591329	1442910	406602	962593	1	530883	25175	1132630	910578	113448	1	1240381
Tutin + 2.6770117	1	1	417966	1	1	229739	314736	1	469690	302937	626204	285383	338177	97128	253821	178028	184107	69618	1	155967	93218	464770	1	178334	1	373525	332984	1	1	1	119880	1	1	233534	25907	1	1
151.0743@2.6867123	1	1	38735	1	1	1	1	1	1	1	18766	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
416.1236@2.7272131	1	1	5159	12309	1	1	3603	22590	4665	3929	5453	3801	1	1	1	1	5458	1	8052	1	1	4554	1	1	64494	5572	15874	8621	31007	1	1	1	1	3621	1	1	17277
Glutamine	59607	1	104360	65665	1	1	41822	36996	1	1	1	42414	1	35633	90720	1	1	1	31203	1	26726	35757	33192	1	50946	55461	1	1	54549	1	1	1	1	35649	65174	35555	35728
4-Nitroaniline + 2.7460015	676069	1	983494	3246011	1207581	1462280	1360206	4545112	1676579	1741858	2164678	1465541	649067	2905012	1518377	939985	3819092	908562	4893677	898263	669735	993472	3170371	700974	5684462	2102200	2964217	4513884	3223353	5176917	4397227	1225161	607317	1853001	1975345	2566125	3801831
173.1051@2.7494953	1	1	64190	1	60784	1	1	1	63777	50713	52295	1	1	1	1	20911	1	1	1	68704	1	52099	1	67370	1	90920	26232	32315	1	1	1	1	27357	1	1	1	1
Dihomomethionine	1	28309	28549	26713	46712	32299	1	1	24549	29849	52781	1	1	28042	23384	24629	20904	22313	23345	40115	25405	1	17479	39374	26376	75640	85183	23974	1	1	47526	86751	1	37604	1	1	62518
?-D-Glucose	1	1	5068872	9948780	1	1	3431508	5400046	5517766	1	1	4088211	1	6870233	1	8445382	6298668	5701918	7813698	1	1	1	8769329	1	4583496	6580247	5553062	8292147	2779093	3216296	1	1.29E+07	7817651	6848259	8769793	1.02E+07	8428884
179.0795@2.830935	1	1	978316	2252488	3069163	1	1	903563	1	1427029	1	855081	1	1872450	1702503	1	1226492	1190474	1	1	1	1239320	1	1075767	1	1237248	1	1261657	1	1	1	1	1	1847885	2590309	1323098	1
C12 H26 O7	1223097	1	4132237	2.83E+07	4531685	3795640	5134726	3632059	4264675	5344351	4488540	4934774	5953426	6773569	4277838	4820263	5794666	5109127	4572624	3026092	6618253	5899688	9528630	6400608	5704129	4952667	5848625	4939908	4591516	6185673	6845514	5412804	3011571	4032377	6214244	4640195	3902190
304.15@2.7894192	1	1	40599	1	1	1	1	1	1	26739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Hypoxanthine	183407	5294060	21602	2937297	1637868	26450	36704	6669	2911437	14412	813925	35017	5042162	2479093	1311276	7018416	4949924	1	8599	20069	2529127	47914	6136403	1	1.00E+07	8772107	2.36E+07	12405	20838	230666	61654	1	6056048	5276274	3207306	27998	1
C17 H29 N S3	1	11641	16601	1	1	11207	1	1	12954	13346	8416	8610	10413	12418	1	1	1	1	1	1	1	1	1	7593	1	1	1	28999	1	1	21141	14991	8030	15122	9516	1	1
162.053@2.8780918	1	1	905067	1	1	1	86699	1	1	1	1	1	315993	204431	112197	148724	197199	1	1	1	233555	1	221879	1	1347202	179637	1445777	126269	1	1556858	1	1	249369	89074	284837	1	1
197.0899@2.8559191	1	1	4602929	1	1	1	4911712	1	1	1	1	4805428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
654.3091@2.7945857	8930	1	11844	14957	35625	28267	18175	12020	31508	20963	8509	17874	10021	26549	15847	19989	19941	16717	24096	1	13936	1	20127	13580	16994	14395	5530	34117	1	1	26692	13048	1	1	1	4632	1
357.2362@2.8809617	1	1	84937	233445	129866	55497	76065	40071	65837	63195	48875	1	166801	145782	60209	101420	94764	71061	1	1	88777	124561	167188	61514	110170	67573	105842	60371	60876	13185	98773	91953	41983	1	82351	46365	60483
411.1355@2.8255856	1	1	21404	1	4935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11382	12328	1	1	1	1	1	3447	1	1	3989	1
428.1582@2.8659568	3530	1	15223	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8783	23084	1	1	1	1	1	1	1	2049	1	1	1	1	1	1	1	1	1	1
314.0825@2.8615065	1	1	9323	1	1	10975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1972	1	1	1	1	1	9318	1
573.1893@2.8223796	1	1	17686	1	1	1	10340	1	18460	23868	1	1	1	1	1	1	1	1	1	1	1	4110	8970	1	12266	1	16016	1	1	3659	1	1	3007	1	1	1	1
246.0999@2.891	1	1	8384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
429.1467@2.8519924	13399	1	13359	1	1	1	1	1	19381	1	1	5055	1	1	1	1	1	1	1	1	1	1	1	1	4836	1	1	1	1	1	1	1	1	1	1	1	1
758.2085@2.866534	47609	1	59315	1	1	1	55141	1	1	1	1	57083	48002	1	91232	1	190969	1	1	1	1	1	1	163348	1	1	115141	1	1	64726	1	47710	101211	1	36747	1	348744
C12 H25 N4 O8 S	152943	16772	1570080	1	1	1282273	1079871	1205637	1800890	1	35153	1168447	1	392698	1	659306	389492	1317720	988104	1	1	1	597284	1251798	715516	1190495	807214	1099397	1	490548	1169369	1010879	281463	722904	1	1	1881685
68.0261@2.8951316	1	1	10511	1	1	1	1	1	1	1	1	4404	1	1	1	1	1	6808	3691	1	1	1	1	14016	1	1	1	1	1	1	1	1	1	7656	12049	1	1
84.0211@2.900689	63402	1	116678	100647	1	1	1	1	146462	137763	1	1	1	94745	1	97382	101883	1	1	1	146135	1	29085	1	76998	1	79400	1	1	1	152771	1	131128	124313	154267	1	1
Methylitaconate	1	1	395826	438749	758185	1	1	1	771250	441983	828182	526743	461729	359679	1	368765	299772	173703	234929	573147	432209	294264	1	1	217199	299648	235471	1	143372	50238	1	1	409687	322123	496504	403024	405653
C6 H15 N O6 + 2.9257476	1	9123176	1.10E+07	1.05E+07	1.39E+07	1	8197618	1	1.65E+07	1	1.60E+07	1.06E+07	7963695	8860106	1	1.08E+07	7874395	9327235	6303843	1	1.22E+07	8603728	1.12E+07	1	5040573	7789376	5385244	1	1	1	1	1.41E+07	9725404	8946418	1.11E+07	7959777	1
753.2529@2.9248075	1	1	19754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2490	1
565.2026@2.940675	1	1	32436	19006	19855	14990	13415	1	37221	27515	1	16576	14867	10947	13809	1	16371	1	1	2910	1	1	1	10096	1	1	1	10202	8378	1	1	1	1	14530	1	17313	1
403.1498@2.9276724	52402	1	290585	1	194308	190988	178680	1	170386	1	82755	1	1	1	200467	1	156261	183226	73736	1	1	1	818519	146150	1	1	178342	1	79536	1	156056	100122	1058092	1	1	214355	1
402.1532@2.9238515	1	1	66770	1	49269	1	1	1	72386	1	20944	42565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43931	1	1	7440	1	1	1	1	1	1	1
382.1084@2.918846	535789	1	494312	1217747	1	1054776	643965	1416208	557186	1	266382	711831	1	782119	1	1874680	1835844	1	1	1	1	33975	2488283	1	730219	1	989461	1	1	506260	1	1	1	1	681109	1	1432095
C19 H13 N4 O3 S2	1	1	113299	178593	38904	1	112556	1	1	216565	22939	1	101356	145094	1	137491	133880	214993	186484	1	1	1	143574	55972	106576	171257	111441	275559	142785	50305	1	1	158668	106264	161113	250281	232626
776.2208@2.939514	1	1	17894	1	1	1	1	1	23826	1	76057	10878	1	1	1	1	1	1	1	1	1	1	1	11660	20200	10476	1	1	1	1	1	1	1	1	1	1	1
218.0195@2.9142237	3691	1	21814	1	20251	1	1	43984	9824	1	1	3817	1	15571	1	1	1	1	1	1	1	1	1	1	1	16422	1	1	1	1	1	1	1	1	1	1	1
C25 H30 O15	16352	1	28890	1	11922	40483	1	1	1	1	7192	1	1	31857	1	53713	1	1	1	1	1	1	1	32497	47835	65709	20614	1	51209	13214	1	1	62316	1	29731	1	1
316.0123@2.8888254	8818	1	15020	1	1	4245	1	1	1	1	1	1	1	4880	1	1	18112	10368	1	1	1	1	1	1	1	1	5658	7787	1	1	1	1	1	1	1	1	1
202.0456@2.9260998	1	1	1328799	1	740189	1	1704155	3759774	1	1	767580	1763027	1639816	1	1132458	4031931	1	1	4365926	1	1909064	149727	5299294	1	1	1325879	2376817	1	1	1	3633251	1	3593511	3221341	1452871	1	1
140.0288@2.9205427	1	1	16757	1	9760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H7 N S2	17726	1	28639	1	16266	1	33482	1	1	1	1	33574	1	1	1	49161	47362	1	1	1	1	1	50182	50884	86669	69265	23187	52088	9295	18468	1	1	31697	1	1	49643	1
Kukoamine B	1	1	32628	112492	310455	1	1	1	40107	1	1	33789	1	127187	24571	1	148369	95117	37826	1	1	93671	160601	1	68170	147702	162061	21957	1	1	1	26151	1	1	1	45348	42843
242.1011@2.9459465	1	1	28715	1	1	1	28631	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8691	1	1	1	1	1	1	1
572.1915@2.963	1	1	8415	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
274.986@2.9398239	1	1	44528	1	57073	85235	86010	1	1	1	27007	84173	1	65831	1	77713	1	117544	1	33626	1	1	1	1	1	1	56559	1	1	1	143080	1	1	106654	1	127408	1
573.1889@2.966796	1	1	18202	1	1	1	1	1	15441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
223.0867@2.9707649	32075	1	171278	1	1	1	1	1	1	1	117187	1	101718	1	57588	1	1	1	1	1	1	81150	1	1	82394	1	1	1	1	1	1	1	1	1	1	1	1
426.1156@2.978941	1	1	23861	1	1	16234	1	1	1	1	19395	1	1	1	1	1	1	1	14370	109507	16440	1	18170	11796	1	1	1	1	1	7274	20326	1	1	1	1	1	1
429.1466@2.9893384	1	1	11613	1	43444	5079	8284	1	13553	1	1	1	24124	1	1	1	1	1	1	1	1	1	1	12753	1	1	1	1	1	1	1	1	1	1	1	1	1
406.0687@2.9776745	7611	1	15833	1	1	8263	9944	1	13220	14907	1	16635	1	10594	1	11110	13298	5324	4390	1	1	1	1	1	1	22245	9973	1	1	1	1	1	10255	1	14947	1	1
3-(a-Naphthoxy)lactic acid glucuronide	14212	1	524455	1	1	1	1	119755	114508	1	55708	94157	71063	1	71669	1	31119	1	1	1	72712	54660	1	78986	1	1	91283	98241	1	43608	1	1	483638	1	469318	1	1
203.0489@2.9465902	1	1	48172	1	1	1	1	1	1	1	1	83243	1	1	1	1	118935	1	1	1	1	1	1	1	1	1	1	1	1	65480	1	310363	1	1	1	1	1
267.0947@2.980047	1	1	13030	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8025	1	1	1	1	1	1	1	1	1	1
428.1452@2.95136	1	14800	10486	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6285	1	1	1	1	1	1	1	1	1	1
411.1364@3.0159009	1	1	50281	1	1	1	1	1	26958	1	25852	1	1	1	1	1	1	1	1	42722	1	38899	1	1	7178	17925	1	1	1	1	1	1	1	1	1	1	1
Procyanidin B1	36528	1	50283	1	40219	37009	31433	20475	47876	46850	24330	47625	35268	26224	33774	30073	29180	11549	1	1	32333	1	36892	14464	1	44762	38606	1	1	1466	9145	24127	35825	25028	33068	37367	38417
301.0641@3.0018296	1	36087	55112	1	54562	1	38649	1	37288	52484	1	45175	47654	1	1	33428	31261	1	1	63469	1	1	1	39755	48967	42588	1	1	1	1	1	1	40690	38933	31823	33982	1
C12 H36 Cl3 N14 S3	5349	1	19998	1	1	1	1	1	20497	1	12744	15365	13505	1	1	12916	14126	10209	1	21739	11621	1	1	1	1	19159	15594	1	1	1	13187	1	23619	15260	1	1	1
C40 H12 N13	1	1	8371	1	1	1	1	9030	1	3643	5883	1	7452	6697	6634	1	7740	8274	1	1	1	1	8356	1	4467	9627	7729	1	6980	1	8175	8350	8000	1	8631	8622	1
452.1127@3.001	1	1	28074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
415.0948@3.0086563	8812	1	41939	1	19155	16806	13737	1	29086	1	17029	20965	15089	1	13240	7820	1	8340	1	1	1	1	1	1	1	19530	1	1	1	1	1	1	10515	1	11696	1	1
416.0913@3.014335	8351	1	88940	1	1	35161	1	18081	57620	1	36064	44629	1	19244	22673	1	18649	1	1	1	20455	37991	23317	1	31462	39380	35898	18915	1	1	19308	2221	26348	22239	24505	31330	33037
324.0295@3.009678	1	1	33464	1	1	1	1	1	32744	1	1	1	1	1	1	32708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
668.1739@3.0128825	1	1	4954	1	4411	1	1	1	1	1	1	1	5193	1	1	1	1	1	1	1	1	1	1	1	1	6315	1	1	1	1	1	1	1	1	1	1	1
512.0791@3.0079298	1	1	4972	1	1	80729	1	77113	3373	1	1	1	61100	1	61878	1	1	1	1	1	1	1	1	1	1	66744	1	1	1	1786	1	1	1	60384	1	1	1
475.1707@3.003339	1	1	19459	1	12390	1	1	5178	16137	1	1	1	8832	1	1	1	1	1	1	1	1	1	6156	1	5942	14083	13958	1	1	1	1	1	9367	8287	1	1	11665
C22 H27 N5 S4	1	1	35129	9536	1	18635	1	1	1	1	19643	27055	15214	1	24758	1	6277	7990	1	1	6670	26427	1	23105	12468	16927	12558	1	1	1	1	10797	9911	18534	1	1	47456
C19 H16 N3 O13	48491	1	83184	80686	60539	1	81877	1	84817	124589	62220	94845	1	64342	53132	53063	53405	83956	65068	42781	62678	1	64453	69107	66529	1	60659	87131	61006	58391	93644	103460	64769	31296	62741	92048	66641
C27 H28 N3 O16 S	14812	1	35732	33390	30847	40413	35517	29493	35947	52906	1	42073	27102	23684	28430	21824	23400	36758	20739	1	27427	12911	23647	22371	30568	1	26347	30797	21896	26098	31135	35199	25268	26135	25813	37957	33975
676.1647@3.011	1	1	6685	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Indican	123400	507749	521955	136507	280738	257489	289984	125601	325091	322705	322158	298109	214247	112104	166538	101389	107240	1	98200	455057	134239	1	95791	238954	146860	188899	167341	152139	118316	1	187191	176734	169149	177967	119216	175149	194919
C29 H22 N O4 S	1	25969	50770	24180	32248	34742	32011	26819	38306	1	32630	49265	29765	1	30818	21505	24895	1	27128	1	28497	26317	25391	9580	31269	34494	32979	39182	27668	24809	41007	32707	32295	35048	28492	35572	41201
C18 H39 Cl2 N6 O11 S3	6412	1	23443	17707	16534	21256	16648	16866	22946	1	13463	22471	14781	13867	16056	12040	12218	19776	1	1	13457	1	13740	1	17050	18949	14754	1	10945	1	1	1	14835	14943	15288	21019	19250
488.1139@3.0253375	1	26156	33335	8717	1	1	1	10516	1	1	15031	25114	1	1	13334	5863	7512	1	1	1	1	1	6437	1	1	1	12552	1	1	2718	26055	1	1	11204	1	1	21250
N,N-dimethylhistidine	1	48265	82171	29582	1	47241	34157	1	65285	27274	47553	30035	60558	40071	1	1	27928	1	1	18854	1	1	1	28372	20917	30913	19413	34121	1	1	21606	23277	20350	31981	1	1	1
530.3022@3.0048118	1	1	20619	1	17237	13357	115059	1	1	11977	32770	1	23267	1	1	13691	1	1	284181	540776	51732	8901	19656	1128431	1	1	17883	1	195407	1	10393	1	1	1	1	1	1
5-Methylthioribose	84678	109983	165546	54744	137232	106408	113234	63783	98918	97747	184904	79118	69539	57665	65301	53473	73562	54463	27982	143096	33495	91001	43493	94056	54979	80566	85360	80444	1	1	76588	78084	54542	54131	37010	45296	41265
206.0439@3.034	1	1	10842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
163.1357@3.0743492	1	1	58879	1	23994	1	1	1	68727	57573	59543	71878	66727	1	54732	1	1	63075	1	47373	32069	57012	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Riboflavin (Vitamin B2)	1	1	39585	17215	40028	26832	34917	19805	33303	36060	32533	47690	31894	16776	29679	1	17364	16939	15141	48836	38490	18662	13495	58005	9815	34541	34270	33087	29436	1	42760	31936	25054	13168	23080	21029	23140
D-Asparagine + 3.0625474	535577	60894	121469	315441	607721	114237	565248	594070	58405	87278	535129	44112	160363	238175	838826	263388	273595	537797	170160	148404	29535	492299	157204	58130	326109	588198	599838	43867	81030	62722	74570	57218	21319	93197	54575	273553	320970
C8 H16 N2 O2	1	42386	52982	1	147670	1	1	1	1	27796	1	33717	21871	1	45927	1	87044	1	1	27323	148381	23025	1	1	24588	32010	1	1	79772	1	1	46955	1	1	1	1	1
Xanthine	1	1	103670	11728	80061	1	32755	8866	45251	1	1	39213	1	1	1	1	1	2933	1	141576	1	95165	1	17298	1	21032	31222	1	1	1	1	23276	1	17662	1	8063	22954
284.0759@3.0616443	45941	1	212834	1	143988	15489	57675	27331	89607	30267	34932	89522	16864	22002	95776	1	26054	1	1	190987	23252	117574	1	18862	1	30028	53752	22410	22198	1	1	35752	1	35738	11784	25752	52819
C14 H23 N S	1	1	68808	25350	43301	51767	1	1	1	39472	67209	51059	39184	28069	40502	30061	1	57012	28259	1	1	1	24805	32232	25816	56328	36250	38871	34461	1	18601	44403	1	31187	39595	1	36019
C7 H14 N2 O2	1	25853	55210	1	115999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32388	1	33255	1	1	41203	1	1	1	1	1	1	44365	1	1	1	1	1
Hypoxanthine + 3.086139	102740	1	26669	1823795	2425684	1	33597	1	1719604	1	2392893	93124	4529264	1372256	557891	4454425	2505696	1	1	23008	1221220	148313	3718244	1	4528562	2319271	4664295	1	19646	238803	50997	1	3262241	2755962	2149858	29043	1
290.0626@3.1193357	1	1	5009	1	1	1	6516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10512	1	8417	425195	1	1	1	1	1	1	1	1	1	1	1	1
Homomethionine	1	50116	36941	1	56088	31692	1	1	1	30917	38630	39841	40099	1	1	1	1	1	1	48361	31411	1	19345	18014	13326	38625	50908	17081	19854	1	16044	47457	32093	1	1	1	17896
Methylimidazole acetaldehyde	1	281936	65629	1	86143	71599	1	1	78205	334735	279329	1	1	142537	1	1	245869	163069	162959	189522	1	1	139066	1	55374	143245	223925	93625	1	1	118954	1	1	1	1	1	1
332.1032@3.1419501	1	1	3428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21313	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Clitidine	38525	226003	83077	42793	102948	94581	54951	30006	97468	74702	173498	62815	52430	79811	168785	162930	137589	53722	31646	133004	1	71104	92852	53982	161324	121112	165856	106243	37454	1	87620	64910	1	105355	48862	37391	68982
C9 H14 N2 O2	1	37389	176591	1	104863	42028	65678	58433	44923	43133	46483	92311	72825	63360	63662	62244	56624	52122	1	1	1	222840	35873	33603	71416	90512	89859	57171	1	1	55251	38759	30280	46926	1	1	1
104.0262@3.1443248	1	1	31870	1	37082	1	1	1	1	1	1	1	1	1	1266914	1	1	1	1	51966	1	1	1	1	1	34408	30078	1	1	1	1	1	1	1571545	1	1	1707856
179.0585@3.1460555	1	1	80458	1	98136	1	1	1	1	1	1	1	1	1	3493397	1	1	1	1	121450	1	21499	1	1	1	86121	78162	1	1	1	1	1	1	4520636	1	1	5014580
354.0876@3.149	1	1	8433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
85.0161@3.1499548	1	1	93178	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	137303	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-beta-aspartyl-L-threonine	1	1	259523	18625	52280	77327	82395	33671	101223	47764	75154	1	7629	23467	54958	1	1	151803	1	161860	1	265101	1	60643	29489	28406	1	46838	73559	1	63654	166300	1	36471	36847	57523	42570
74.048@3.151	1	1	3501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Deoxyguanosine	866597	146872	263564	2277151	516384	91667	212199	33682	1295698	54868	3344126	1646860	4048245	1038814	37617	90674	67731	54892	28369	144339	2174405	1314303	2090235	76417	532430	1061075	106038	56688	277659	419747	288376	59540	5105976	3117423	67031	148127	68012
C9 H16 N2 O2	68711	212877	102303	133280	89995	245487	68686	42226	412379	216382	322582	726104	284688	179604	121604	99766	90130	129673	55563	204035	158747	105554	110394	100346	64157	408448	342343	230995	126583	40083	333469	87069	131549	57739	83910	109893	46036
N-Acetyl-D-tryptophan	1	1	612617	187426	314817	634305	201840	41150	662290	762878	960153	516934	331376	291787	119126	319800	287438	160039	231943	2129426	759509	255386	160642	980765	155621	270983	111941	739335	229107	17517	419512	226125	277205	161556	158064	111533	112390
Harmalol	1	1	31362	1	1	18211	1	1	49827	31732	60803	1	1	1	1	1	1	1	1	80280	46498	1	1	45901	1	1	1	30599	1	1	1	1	1	1	1	1	1
Isovalerylalanine	1	1	54613	86873	1	1	46833	1	50151	1	1	74300	265343	1	73593	1	1	1	1	41399	44661	155536	1	55865	30157	488533	65896	1	58832	1	1	48051	38598	49146	1	1	1
213.147@3.2117336	1	1	48875	1	1	18979	1	1	20389	1	33248	1	1	1	1	1	1	1	1	1	1	1	20150	1	11022	1	1	27897	1	1	23097	39935	1	1	1	1	1
149.1201@3.3081117	1	1	49996	68011	52115	64158	1	1	48789	61356	57499	69920	1	59515	58120	58597	60575	19063	58802	1	28034	1	1	52617	1	58485	1	1	1	1	55284	64111	1	60106	1	1	1
268.0808@3.109423	52892	1782790	31428	12476	2294001	7130	1	1	1329947	1	1868229	48386	5747779	1584144	385147	6487315	3154150	1	1	1	1214470	1	5559896	1	5860010	2562208	6478918	1	1	197843	1	1	377656	3458963	2659714	9551	1
859.6011@3.2491727	1	1	24188	1	18386	14854	1	1	14236	1	1	1	1	1	1	1	1	1	1	1	1	1	12935	1	1	1	1	1	1	1	1	1	1	1	1	1	1
136.0386@3.2704568	1	3743817	75741	1	1	1	1	1	1	1	1	22831	1	1	35773	1	1	1	1	116915	1	75476	1	1	1	1	1	1	1	1	1	19539	1	1	1	1	24411
205.0741@3.28677	1	1	58474	1	151278	1	1	1	1	1	1	1	1	1	98860	1	1	1	1	298588	1	1	1	1	1	37257	116731	1	1	1	1	1	1	83876	1	1	116804
130.0419@3.287095	1	1	40798	1	106133	1	1	1	1	1	1	1	1	1	72942	1	1	1	1	188752	1	20420	1	1	1	28316	89593	1	1	1	1	1	1	63383	1	1	80956
5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline	75736	1	107834	65982	109962	97130	68498	44436	191110	209883	159387	116493	1	68670	27516	42453	87733	80627	44336	177512	73087	1	50893	82121	69326	598480	278278	96864	35975	1	101345	85994	34754	20981	48133	36932	1
3-Indoleacetic Acid	1	1	118039	28619	34254	45790	1	1	92677	59801	186258	1	238848	79429	1	39465	73959	1	1	40118	1	228887	45519	51864	1	1	1	55264	42857	1	41355	74153	45640	58681	44563	49294	1
190.0743@3.3350284	1	1	28625	1	1	1	1	1	1	1	1	1	47611	1	1	1	1	1	1	1	1	62049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Lys-Lys-OH	1	1	14448	31984	18047	1	1	7893	16859	22292	16721	12437	30816	23131	14917	17860	15904	19913	11876	13924	17039	56697	22447	16428	16004	9266	16378	1	6735	2964	19167	15328	1	9612	21446	1	13469
302.079@3.352954	1	1	24676	53694	1	1	1	1	1	37443	1	20687	18069	14755	1	15710	18615	13544	1	1	15296	1	1	19592	1	1	18736	17766	1	1	1	15044	1	1	6457	1	1
C4 H6 O2 S	1	112235	26037	1	187046	1	1	1	52877	78305	61723	1	1	26427	1	1	14717	1	1	56314	1	1	1	1	1	34673	79478	88875	1	1	1	34954	18822	1	1	1	1
876.6575@3.4020755	1	1	6773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14205	1	1	1	2838	1	1	1	1	1	1	1
157.0175@3.3723931	1	25468	6108	1	44843	1	1	1	1	32698	13802	1	1	13332	1	1	1	1	1	10999	1	1	1	1	1	10209	28286	40869	1	1	1	15159	1	1	1	1	1
256.1065@3.3946197	1	1	19915	1	1	1	1	1	1	1	21034	1	1	1	1	1	1	1	1	1	11098	26904	1	1	1	1	1	1	1	1	14396	17124	1	1	1	1	1
Psicofuranine	71909	1	182777	68460	125251	107074	1	46712	150751	96230	222215	87162	127432	78508	69457	62025	62856	63626	48881	268413	107085	206941	42194	111641	39538	87334	78964	89589	67085	1	89924	82703	71520	92463	56487	43632	43270
875.6538@3.4378154	1	1	51681	67463	1	45239	1	1	99928	1	1	1	1	17402	1	1	1	1	1	1	1	1	1	1	92939	1	1	1	54623	15616	1	1	1	1	1	36235	1
C14 H30 O8	1	1	1117826	6026074	2177048	602587	1228846	40192	978293	957220	943763	1668598	2648512	2177163	738709	1386068	1353776	1396363	977301	64617	1201297	3608399	3154001	1263449	1326542	975784	1596206	56368	681847	930824	1230907	1383012	58281	48869	859759	727344	961795
C22 H31 N2 S	1	1	32853	32855	23392	20571	26433	22048	27811	31455	37767	28497	35875	30008	20250	21962	30080	21075	23315	25023	28471	32281	38288	30120	24161	22723	26876	14141	17196	12667	27565	28814	18681	18487	29045	27683	23898
C25 H51 N8 O6 S	1	1	28897	105048	302977	12784	1	1	40002	1	48650	23585	79408	105778	23509	1	136805	122604	35525	1	1	195227	158006	21367	71168	161689	150517	24980	1	1	14454	24513	8238	1	1	47317	40168
329.9346@3.474349	1	1	2335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2738	1	1	1
125.0144@3.4786885	1	1	3338	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7063	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
167.0254@3.4794219	8591	1	11262	1	17547	6469	1	1	7557	1	6016	1	8582	1	1	1	4499	1	1	20909	1	23620	1	4890	1	1	1	1	1	1	1	1	1	1	1	1	1
S-(Carboxymethyl)-L-cysteine	119740	1	81990	122218	151085	13437	181736	49693	7505	7407	92081	18862	103961	38757	1	47661	59569	44691	24880	69656	5496	387064	24475	15600	39141	155686	56292	12401	33279	57651	9877	16913	15861	68360	21567	1	129741
221.0899@3.4986422	1	1	226470	50690	1	71259	1	1	1	1	111274	45552	22947	1	1	14187	48024	1	1	127392	1	110878	1	1	1	1	1	1	1	1	1	1	1	40399	1	1	1
185.0692@3.5	1	1	32136	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Psicofuranine + 3.517004	21426	72978	22515	14854	27767	13884	21830	9221	1	24849	29632	28617	24089	9840	18419	10484	1	7737	9821	117616	21055	43726	7507	23209	8606	13429	16786	14350	19406	1	10948	14389	17727	11976	1	1	15060
171.0905@3.5167413	1	1	39371	1	1	1	1	1	41443	1	35390	40721	47938	1	1	1	1	1	1	46623	1	50712	1	1	1	174800	28410	1	1	1	1	1	1	1	1	1	1
225.1005@3.519	1	1	39641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
268.0027@3.56644	6793	1	8020	1	1	1	6410	1	9693	8354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-Alanine	174756	1	312622	105662	145196	132024	192649	89682	367728	216699	139544	217158	147719	132845	211882	71731	89632	65803	50828	342545	129531	259291	89470	117764	70352	159279	146116	92899	69874	32034	67038	109970	65012	130781	168853	149274	113751
D-Asparagine + 3.5735521	2049268	1	3540133	1295814	1511436	1475402	2251425	965057	4014687	2552663	1629159	1765964	1707903	1507315	2395111	835607	1119869	808629	432746	4061355	1515473	3102309	1111247	957068	859500	1731863	1575945	1052710	849928	283375	777092	1401715	527431	1572983	1844170	1627806	1313180
72.0325@3.5731711	12281	1	26690	9528	1	10239	17025	1	27510	19434	11572	17155	1	1	17808	1	8451	4586	1	28644	1	22066	1	7474	1	12919	11979	6927	1	1	1	10229	1	11439	14412	1	9960
C19 H8 N4 O	14455	1	21987	1	1	8477	14062	4572	29792	17157	1	12753	10804	8858	17258	1	6447	1	1	7941	13864	10123	1	2422	1	1	1	7159	1	1	1	1	1	6145	16053	8607	5880
300.1323@3.5859716	1	1	6119	1	1	1	1	1	7334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4936	1	1	1	1	1	1	1	1	1	1	1	1	1
Nalidixic acid	1	1	41810	20238	89677	57417	1	1	79220	61982	96206	1	20057	34007	1	1	46140	20081	1	100984	26454	22095	1	37082	1	87998	46488	80512	1	1	43268	1	12654	1	1	1	1
387.3345@3.6803207	1	1	31157	26346	1	26650	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30852	1	22868	1	1	1	1	15620	1	1	1
790.0641@3.6311338	1	1	1634	1	1	1	1	1	1	3418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3728	1	1	1	1	1	1	1	1	1	1
L-Methionine	310171	449706	625345	226623	642415	328595	347023	261978	451750	342339	500810	498899	453208	231551	346717	172479	221302	152097	110794	506243	345589	741217	250613	293680	188722	524548	524509	307758	248206	91206	277692	484844	201594	264041	252707	219247	358665
Acetone cyanohydrin	85099	136629	176960	69906	198098	119168	100273	77117	132400	105646	153479	146091	133573	69702	105002	57879	63683	53912	38695	155976	110478	230889	73063	85645	54771	165836	165121	87637	75550	28200	78420	138248	68104	72005	72811	66364	106193
Propanethial S-oxide	15900	23209	27304	1	16417	17961	1	12398	26414	16941	17795	21216	23380	1	1	1	1	1	1	31905	10899	36641	1	1	1	25780	25799	1	1	1	1	25227	1	1	1	1	20006
C12 H25 N O7	1	1	62426	196939	63009	42879	133406	42388	78281	71311	65699	73304	154598	118677	47079	54113	80466	47238	86226	34053	228439	75599	184446	108656	118720	57682	70775	120523	86313	84586	129295	76880	25382	92589	77021	45491	39883
C27 H52 N2 O S3	66513	1	21190	1	12800	13829	12407	1	5215	7910	18968	9066	44133	1	1	4162	1	1	123270	335230	106198	7460	1	231649	1	1	5185	1	161053	1834	1	3260	1	1	1	1	1
521.2785@3.6302066	108733	1	15451	1	20289	18691	1	1	1	1	8165	1	25416	1	1	3108	1	1	84027	12152	1	1	1	242641	1	1	1	1	166203	1	6242	1	1	1	4768	1	1
4-Nitroaniline + 3.668444	149712	595867	495597	319262	964847	267920	571435	216437	279460	276926	723663	256202	620147	437087	262080	265909	375035	367507	91898	135121	102871	1325621	249435	263206	244924	1062457	852285	310822	135587	106766	249593	267922	228190	378953	63956	130017	188368
Phenylethylamine	1	1	128700	57291	104881	138164	116611	60094	1	1	116847	120988	100381	59064	104977	72659	63041	76762	76096	65642	94544	85678	46997	81200	62812	70900	68229	62190	64535	1	73517	75142	79278	1	75169	53712	68904
482.8711@3.6905549	1	1	57984	75424	31374	56145	1	1	126122	1	1	1	22792	14111	1	26466	17728	1	1	1	1	1	1	1	58524	29286	63859	1	43788	19447	23041	1	1	1	17462	30281	1
121.1301@3.7027206	1	1	5009	1	1	1	1	1	2049	1	4472	4338	3663	1	1	1	1	1	1	1	3231	1	1	1	1	1	1	1	2318	1	1	1	2637	1	1	1	2608
C21 H27 N2 S	1	1	13494	38043	1	1	21581	8063	1	10852	15216	17036	22168	19395	1	7530	11871	11619	13540	1	31806	15848	29550	18885	16335	8548	9843	20547	12596	15595	22215	11552	5772	14323	13474	1	6223
947.7112@3.6931572	1	1	45069	70404	27803	43899	1	1	107651	1	1	5824	20362	14057	1	17339	1	1	12702	1	1	1	15276	12933	52471	22044	54122	13978	30607	1	16557	1	1	1	12770	28131	1
C16 H46 N14 O S	1	1	107675	187466	58987	109139	1	1	247796	1	1	1	50521	1	1	46785	1	1	35493	1	1	1	1	38525	120630	68042	125466	37448	73434	38528	42087	1	1	1	35330	60217	1
C14 H18 N O3 S	10508	1	24441	7663	13665	17258	13702	6775	19036	14058	35154	14656	18883	13662	12130	6765	9710	5811	1	23181	8672	16369	1	15854	5452	23545	13505	17944	16156	1	12675	14016	1	9879	1	7191	13815
C9 H11 N3 O4	75730	59031	197443	57839	84941	52068	84197	49713	117036	76730	119680	182402	60012	65803	79753	57927	73696	63438	45232	260299	89139	211811	51739	114326	49257	125108	141703	73908	65618	18499	55483	69669	57614	56075	60955	40878	61233
111.0432@3.7297492	1	1	28245	1	1	1	1	1	18658	1	1	1	1	1	1	1	1	1	1	33801	1	1	1	1	1	1	19255	1	1	1	1	1	1	1	46823	1	1
N2,N2-Dimethylguanosine	17861	1	18953	1	17328	8481	18595	5360	9328	8638	15001	18038	15629	5677	11193	5634	9050	1	4310	51383	16024	26937	5518	23240	1	14886	8188	5917	16906	1	1	5807	9835	6685	4859	1	5673
C14 H24 N2 O S2	11090	9384	23576	1	16982	10000	13938	1	19897	14669	26703	10874	12653	16138	1	9230	1	1	1	20069	7197	34324	10539	18787	1	15290	1	10266	6938	1	13652	14452	1	16006	15222	13358	10203
C15 H44 N14 O S	53322	1	85354	201713	59679	115873	1	24803	327334	1	52900	42613	54458	53361	1	51071	37135	26738	31254	44624	27705	1	54540	42809	152076	65954	136654	43442	92036	47812	49217	1	1	35112	40918	62238	1
468.8553@3.7504113	12768	1	41408	91929	27427	49443	1	13643	153396	1	20517	15242	24276	23969	1	21276	17542	11117	11949	17416	10136	1	15790	16910	67548	30858	65761	1	41364	27664	24766	1	1	14782	17663	28129	1
919.68@3.7507517	15076	1	39180	85583	25243	43945	1	11471	152207	1	1	16346	24411	18230	8516	20884	15577	12064	12267	14426	9222	1	16097	17638	67424	28322	53961	16485	38134	33079	20954	1	1	14355	14827	29076	1
272.079@3.741	1	1	9350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H10 N6	1	1	94058	27102	1	129742	22461	9216	151908	129341	135933	91683	60721	56309	1	39603	36143	1	28169	229223	115560	69546	18530	137240	1	54780	14910	113188	36861	1	71313	59441	57716	35635	1	17015	43279
420.2637@3.765	1	1	8952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
437.29@3.776303	5212	10474	17357	1	16738	3421	9132	5350	13375	1	7357	1	1	11639	6517	1	1	1	1	1	1	11164	6309	1	6117	8088	10933	4563	1	19748	1	4167	1	5935	1	9811	11173
754.0359@3.7941723	1	1	4519	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7473
5-Methylcytidine	95402	72583	99927	62052	98597	72792	76126	35940	115397	117810	143494	155333	130627	46606	92830	52318	61755	39432	54769	301361	145957	155566	34119	106889	35785	88921	75515	79742	91915	22746	56917	52358	64925	58160	29036	34078	58514
Methylenediurea	436160	929270	564770	209484	1654757	748116	560505	794999	552959	514815	997961	179381	336821	775199	564230	513155	694753	429980	1089466	1820446	196214	546609	510395	335203	1544700	692633	1045368	1068241	606482	1	1476473	351903	138563	283502	375442	469966	164683
Urea + 3.788126	32054	50771	56779	17149	132749	51752	44596	55480	46267	41667	86019	13761	30268	56836	48851	39482	51962	32113	58940	144376	20138	59500	36508	29096	107393	65631	83064	77500	47878	1	107394	26045	15352	22404	1	37116	12913
Cytosine	75204	60753	74923	53431	66925	58906	61046	1	94586	87548	111226	125112	102184	35738	74676	47909	57742	34279	41796	212774	111165	111852	29333	89445	1	81040	67027	59420	66892	1	46763	49414	60327	46759	27403	21406	59966
N-(Aminomethyl)urea	24535	34549	38322	8515	98020	38794	30466	40971	35785	26924	57256	1	22278	40127	35272	28404	36702	23308	42555	98759	10107	39283	22803	19373	1	43752	63358	53475	33189	1	1	19441	6692	15663	21482	24720	1
438.215@3.809642	1	2833	4521	1	1	1	1	1	3417	1	1	1	1	3700	1884	1	1	1	1	1	1	4286	1	1	1	1	1	1	1	5040	1	1	1	1	1	1	1
Ramipril	1	10224	14679	1	16562	1	1	1	12249	2417	7693	1	1	9296	1	1	3096	1	1	1	1	10043	5288	1	1	4910	7354	7969	3920	12947	2440	1	1	8262	1	6554	8665
266.0016@3.8045778	7678	1	12340	1	1	1	1	1	1	1	5768	7820	6892	1	1	1	1	1	1	1	1	17219	1	1	2818	7761	7337	2240	1	1	3009	1	1	3295	1	1	1
624.1164@3.806604	1	1	3603	1	1	1	1	1	1	1	20517	1	1	13726	4136	1	3828	1	1	1	1	1	1	1	1	1	1	1	1	1	3271	3802	11392	1	1	1	1
C35 H59 N2 O4 S2	1	1	21223	78265	244942	10132	1	1	32710	1	38070	19257	58353	75091	16008	1	102407	99100	30480	23724	1	256060	132579	15406	60095	118989	109919	18987	1	14794	1	16773	1	1	1	33090	27876
392.2328@3.8177936	1	1	6399	1	72424	6035	1	1	59444	1	1	1	1	51586	31038	1	1	1	1	1	1	19810	32016	1	1	13359	1	10408	1	81832	1	1	1	32143	1	13038	59675
409.26@3.8221762	10236	22108	40574	1	1	12688	18062	12449	1	1	18367	14189	1	1	1	7677	11181	7578	10207	1	4514	30956	1	1	22023	25121	27377	21348	9492	1	9616	15034	8142	1	7129	20750	1
414.2148@3.827617	6626	12197	21036	1	1	1	1	1	1	2209	6243	1	1	1	1	1	1	2838	3986	1	1	1	1	1	11183	1	15868	1	1	1	3120	5827	1	1	1	1	1
535.6048@3.8273792	1	1	29780	11250	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
521.5896@3.8380432	1	1	237030	183802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	191244	1	1	1	1	1	1	1	1	1	1	1
507.5736@3.8423672	1	1	26815	7454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2750	1	1	1	1	1	1	1	1	1	1	1
Adenine	82729	60823	199172	56615	250173	51288	60040	29757	242682	32936	116038	69763	81955	86584	51066	50853	70102	1	26084	155471	49552	253635	57704	41660	96912	111940	50031	32587	29830	75530	65463	78994	60539	59358	41055	48372	33071
493.5583@3.8531861	1	1	129215	35175	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14279	1	1	22852	1	1	1	1	1	1	1	16645	1	1	1
547.6053@3.849696	1	1	14977	53135	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22663	1	1	1	1	1	1	1	1	1	1	1
479.5424@3.8423743	1	1	14211	4005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
465.527@3.8596818	1	1	39216	8970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5908	1	1	1	1	1	1	1	1	1	1	1
451.5105@3.8663397	1	1	7854	6113	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2255	1	1	1	1	1	1	1	1	1	1	1
C15 H31 N8 O4	81537	1	193946	1	638777	138921	274573	96039	266334	162794	191097	309040	1	601699	166689	285879	328096	321447	164527	168442	158444	1	1	89482	202257	300156	1	132039	115178	156525	200432	363560	101214	94822	132535	185645	182604
437.4951@3.8799467	1	1	12744	8670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1882	1	1	1	1	1	1	3679	1	1	1	1	1	1	1	1	1	1	1
Monuron	13031	1	19142	1	56530	1	17980	7808	10961	14117	29292	1	1	1	14008	4769	1	16727	1	45441	1	65815	1	1	1	17781	20199	1	5445	1	1	12114	1	5059	1	6088	5967
476.8521@3.8862183	1	1	3526	16722	1	1	1	1	1	1	1	1	1	2575	4698	1	1	1	1	1	1	1948	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.4641@3.895099	1	8502	12542	54089	4175	1	1	1	1	1	1	1	1	1	5953	1	20505	1	2496	1	1	1	5282	1	1	18676	1	3785	1	1	1	1	1	1	1	1	1
635.5842@3.8939934	1	1	10173	4918	1	1	1	1	7884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H19 N O4	29717	1	81651	1	1	1	34265	1	1	1	1	70044	50113	1	58847	1	1	1	1	36524	22029	37570	1	31095	1	81837	50892	1	20933	1	1	1	1	1	1	1	1
497.2808@3.9563925	288292	1	21512	1	1	3765	459588	1	1	5438	23071	1	5225	1	1	1	1	1	190911	941112	58829	1	1	496008	1	1	8834	1	579017	1	1	1	1	1	1	1	1
559.2549@3.901644	25200	1	5413	1	4617	1	21874	1	1	5813	8454	2732	1	1	1	1	1	1	53411	1	45570	6013	1	33375	1	1	1	1	23511	1	1	1	1	1	1	1	1
Taurocholic acid	2423914	1	47334	1	41275	23440	3904190	1	1	32796	77323	28167	26221	1	1	1	1	1	1454229	5810397	464061	41830	1	3774042	1	1	1	1	1525873	1	1	18955	1	1	1	1	1
395.4489@3.9127216	1	1	5439	9112	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4005
504.8842@3.910118	1	1	85205	134114	48733	86480	1	1	192413	1	1	28584	44985	1	1	38812	33824	1	1	1	1	1	1	1	93148	49232	101285	1	61433	53206	37949	1	1	26740	27635	48934	1
504.3828@3.9111063	1	1	164793	274410	88722	162009	1	1	376104	1	1	1	79528	1	1	76891	1	1	1	1	1	1	59340	1	187149	88242	210193	1	113394	105569	71368	1	1	1	1	93525	1
991.7371@3.9123015	17538	1	40278	61833	21826	40914	1	1	89631	1	1	1	13921	13239	1	15615	11267	1	14839	1	1	1	1	11865	44721	21426	46116	9584	28773	23685	17620	1	1	10016	10399	22017	1
637.6002@3.9241397	1	1	26591	286222	1	1	1	1	6052	6677	1	1	4039	1	1	1	1	1	1	1	1	1	1	1	1	4699	1	3676	1	5086	1	2625	1	1	1	3555	1
691.6113@3.9106646	1	1	12664	319685	1	1	1	1	1	1	1	1	27571	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
609.5692@3.9102554	1	1	20337	295712	6860	1	1	1	2852	4574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
191.0622@3.917165	1	1	42274	1	1	1	1	1	1	33954	32445	13655	1	1	1	1	1	1	1	86118	1	20311	1	28354	1	1	1	1	1	1	1	1	19540	1	1	1	1
639.4592@3.91	1	1	2547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
381.433@3.9155774	1	6107	4882	45320	4388	1	1	1	1	1	1	1	1	1	7482	1	15848	1	2090	1	1	1	1	1	1	15716	1	1	1	1	1	1	1	1	1	2830	1
183.0568@3.9180546	1	1	49264	1	24153	15871	1	1	19877	39913	66866	1	1	13884	1	11621	29790	19739	30941	156298	1	19960	1	18981	1	1	25001	13144	17580	1	1	1	1	1	1	1	1
693.6265@3.924007	1	1	26151	1	3290	1	1	1	1	1	1	1	41715	1	1	1	1	1	1	1	1	1	1	1	1	10454	1	1	1	1	1	1	1	1	1	1	1
665.5985@3.9350028	1	1	37920	318131	1	1	1	1	1	1	1	1	46843	1	1	1	1	1	1	1	1	1	1	1	1	34961	1	1	1	1	1	1	1	1	1	1	1
862.6121@3.9325092	1	1	5229	1	1	1	1	1	1	1	1	1	1	4274	12031	1	7334	1	1	1	1	1	1	1	1	10552	1	1	1	1	1	1	1	1	1	1	1
667.6114@3.946645	1	1	101887	1	1	1	1	1	1	1	1	1	38465	1	1	1	33769	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15233	24107	1	1	1
681.6244@3.934	1	1	9532	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
637.5634@3.9443405	1	1	6106	59140	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
653.5954@3.9443407	1	1	10890	20998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
695.6419@3.9311829	1	4537	73904	1	1	1	1	1	1	1	1	1	1	1933	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12870	16288	1	1	1
639.5796@3.954061	1	1	57208	93496	1	1	1	1	1	10226	1	1	19269	1	1	1	22277	1	1	1	1	1	1	1	1	22003	1	1	1	1	1	1	7947	16822	1	1	1
679.6092@3.9016812	1	1	9543	7683	1	1	1	1	1	1	1	1	4502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Lupanyl Acid + 3.9595964	1	7993	22481	1	1	16221	1	1	8743	4390	15598	1	1	1	1	1	1	1	1	11888	1	1	1	1	1	1	1	16376	1	1	10544	1	1	1	1	1	1
226.2046@3.952534	1	1	8734	1	1	1	1	1	1	1	6110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5920	1	1	1	1	1	1	1	1	1
Barringtogenol C	58422	1	124366	281694	91289	142885	1	1	461747	1	60117	54306	79275	58429	1	74492	56434	43609	43719	44636	39125	47287	50021	52035	219587	94336	182079	61117	130969	101207	76118	1	1	45391	50009	90620	1
C15 H31 N5 O3	1	19456	32353	1	1	25187	1	1	10437	1	17542	1	1	1	1	1	1	1	1	14236	1	1	1	1	1	1	1	30154	1	1	17465	1	1	1	1	1	1
C14 H3 O14 S3	31703	1	64367	129042	44689	78535	1	1	219606	1	26976	27622	27704	31368	1	30888	26454	17524	16306	20340	15872	1	19643	27122	104567	42370	85392	27482	66261	43603	32355	1	1	19677	29170	43274	12126
963.7058@3.9612942	18887	1	32571	72132	24234	39062	1	1	119484	1	12634	13322	18182	15458	1	16364	11633	8565	9442	12975	1	12144	1	15532	54779	22110	44231	13773	32358	24511	18503	1	1	11663	12720	22071	1
611.5479@3.9647267	1	1	12088	23602	1	1	1	1	1	1	1	1	7629	1	1	1	4600	1	1	1	1	1	1	1	1	5914	1	1	1	1	1	1	1	2291	1	1	1
C24 H33 N25	5665	7636	8355	1	12288	9532	8884	3406	10149	5558	10155	9639	8126	5431	5224	8092	5912	6808	4869	6444	7019	5148	4688	9573	5905	4272	6658	5962	3068	9679	7774	1	1	1	1	1	1
237.0868@3.9641612	1	1	23787	1	10794	17766	14013	1	27596	18654	27768	18045	20388	10222	18818	1	1	15572	1	34112	1	1	1	18841	12019	1	24097	11715	1	1	1	1	16177	14255	1	1	1
651.5798@3.9543443	1	1	9621	24650	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H47 N4 O2	7856	25200	41340	17754	44612	18935	24397	1	14735	24076	23072	30406	24473	21342	17689	19756	17475	16849	20486	15623	20816	21976	18161	21887	17272	20521	18771	13182	12990	27215	23533	14456	1	1	1	1	1
791.5658@3.9840996	1	1	5692	1	1	1	1	1	3882	1	1	5125	1	1	1	1	1	1	1	1	1	1	1	1781	1	1	1	1	1	1	1	1	1	1	3163	1	1
325.3708@3.9877205	13000	9083	360247	21585	24100	1	28290	1	1	8773	9532	5235	1	11778	6711	1	13100	4974	6641	4671	28058	1	7579	7293	1	12402	6278	10256	1	6755	12263	6839	1	13731	7481	10086	6291
602.5272@3.9765873	1	1	6800	1	1	2469	6803	1	2433	1	1	5157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6021	1
Melamine	33776	1	50512	331190	48404	34437	51673	26971	52208	39164	40582	1	39551	40887	33948	36924	112919	46122	30949	35245	1	56060	93409	30407	1	36509	47694	32178	1	27545	48563	142352	31371	1	35779	31369	1
Mephentermine	256830	1	238612	247568	247625	229902	235994	232798	242044	223784	243211	234091	233010	232866	228404	231273	227830	221524	218921	228115	210529	227280	239251	228186	228054	218515	230191	231343	229242	238814	239381	228438	223408	8969	11084	194221	226482
443.3248@3.99669	1	1	8657	1	1	4539	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5982	1	1	1	1
709.6224@3.99	1	1	1999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
223.085@4.0024114	1	1	23087	1	22151	1	1	1	15429	32736	37598	1	1	1	1	1	1	1	25539	131071	38646	1	1	36232	1	1	1	22048	20373	1	1	1	1	1	1	1	13134
763.5178@4.003007	1	1	7682	1	8917	6232	7754	1	1	1	1	7756	1	1	1	1	1	1	1	16903	1	1	1	13136	1	1	1	1	5543	1	1	1	1	1	3838	1	1
574.495@4.0065103	2341	2291	10563	1	1	4113	7143	1	3942	1	1	1	1	1	1	1	1	1	1	2703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4499	1
426.3614@4.001598	1	1	10839	1	1	1	1	1	8851	1	1	1	1	1	1	1	1	1	1	1	6899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
768.4921@3.994	1	1	9922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H38 Cl N6 O2	1	1	2645	1	7244	5827	253621	1	8529	1	13540	1	21519	6086	1	3519	3981	1	1	187381	1	1	7469	184143	1	4595	9277	4190	1	1	6754	1	1	1	2772	7546	1
485.4224@3.9768193	1	5932	16458	1	7973	1	1	1	9037	1	4135	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
169.0845@4.0155044	1	50745	21963	1	1	1	1	1	1	1	19301	9554	1	14623	1	1	1	1	1	16794	1	1	1	1	1	11918	1	1	1	1	1	1	1	1	1	1	1
429.3085@4.0098586	1	9477	10423	1	6951	5472	7139	1	1	1	9665	7042	1	6132	6776	1	1	5664	1	9063	1	1	1	4961	1	7059	17569	1	1	4315	1	1	8690	1	8004	6488	4282
371.3394@4.006	1	1	14937	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
530.3027@4.018646	20295	1	6593	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6460	1	1	1	1	1	1
397.3915@4.012	1	1	1950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
297.3394@4.0256505	1	1	10663	17741	32241	1	44186	1	23966	1	11080	1	1	18141	1	1	22353	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6822	1	11986	1
469.8454@3.9713185	1	1	3035	1	1	1	1	1	3872	1	1	3734	1	1	1	1	2707	1	1	1	2377	1	1	1	1	1	1	1	1	4547	1	1	1	1	1	5011	1
C12 H27 N O	15899	15313	15759	17949	17307	18453	16482	19969	18863	17753	20385	17643	1	18060	17018	18309	17932	19994	16867	15702	17832	20352	19490	17018	20837	17468	18932	15468	18424	17552	19104	21825	16630	17374	17824	15878	20534
398.3295@4.0313387	1	10586	13896	1	1	6561	1	1	12000	1	1	1	1	1	1	1	1	1	1	1	18742	1	1	1	1	1	1	8067	1	1	1	7840	1	1	1	1	1
265.204@4.046951	1	1	6710	1	1	5089	1	1	6305	1	1	1	7994	1	5010	1	1	5732	1	1	1	1	2837	1	4163	1	1	9105	1	5555	1	1	1	5186	1	3683	1
C24 H49 N O2	11949	17849	30787	16476	30865	17246	21108	7661	13662	20283	17593	28209	17794	15614	15328	12116	14232	11040	21634	14965	17874	20373	19102	17878	16350	17275	13491	11244	10912	15148	15370	12958	11941	8193	10404	1	1
468.0486@4.0459995	1	1	7553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H9 N O3 S	25186	1	74456	1	36396	1	52381	1	22227	5560	10129	75332	92232	48154	21880	36250	25319	30901	1	150713	1	54307	13391	1	25569	65170	15496	9650	21396	3420	21137	30657	1	73978	1	23246	18163
C7 H13 N O3 S2	26641	1	78737	1	33201	1	46921	1	17848	1	7970	54796	107260	49141	18614	38142	23930	27281	1	93114	1	48916	15232	1	23171	70891	1	1	1	1	17983	27236	1	92413	1	18197	10201
C12 H11 O S3	1	1	26174	1	9055	1	13575	1	8121	1	2784	1	33964	20542	10270	18360	12590	12799	1	1	1	15514	6210	1	11589	21343	1	4826	1	1	9301	1	1	28089	1	10408	8233
512.012@4.036	1	1	2783	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
133.0196@4.0387635	7322	1	22339	1	1	1	1	1	5858	1	1	18439	27362	14440	7483	11503	1	8528	1	45263	1	14468	1	1	1	19215	1	1	6817	1	1	1	1	21310	1	1	1
253.2409@4.047028	1	1	6794	1	5270	5852	1	1	1	3102	1	4420	5480	1	1	3223	1	1	1	1	1	1	1	1	1	4046	1	1	1	1	1	1	1	1	1	1	1
198.0566@4.0460463	6157	1	5123	1	26575	1	1	3314	1	3010	6742	1	1	1	1	1	1	8544	11040	14539	1	28410	1	1	1	10356	12278	1	1	1	1	1	1	1	1	1	1
381.3601@4.049725	1	7078	7019	7790	8122	1	1	5819	11120	8536	1	1	1	1	1	2409	1	1	3532	7408	1	3697	1	1	3009	9791	1	3923	1	3160	1	1	1	1	1	1	1
C25 H45 N	1	51505	70124	190704	116560	43013	60882	27595	143077	34086	25770	28812	34612	30891	1	32639	26886	1	28467	18418	1	19737	22077	1	25801	30043	1	34167	1	25977	37941	1	18367	14261	24049	37480	51977
258.2472@4.045103	6539	1	2184	1	1	1	1	1	1	1	2920	1	1	1	1755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2015
551.4168@4.0638857	1	1	5934	1	2917	1	1	1	1	1	1	5560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2014	2992	1	1	1	1	1	1
369.3605@4.064465	1	1	8970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5601	1	1	4596	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H29 N O7	45424	1	90488	77742	69691	79928	75827	52528	75676	80839	97196	88374	87927	71799	65345	72717	76504	63114	60994	72295	48764	58267	80744	78699	60086	68185	67391	53770	58403	70205	76074	76603	52289	51442	83745	74370	51631
C15 H6 Cl	1	1	3387	2962	4619	32758	8795	1	25653	27129	69598	1	19486	10793	1	11250	20059	7949	1	29270	1	5945	1	19228	9551	8349	1	15796	4448	1	29176	7231	14782	10943	10987	1	1
337.2096@4.0810447	1	5550	9672	1	1	3925	1	1	1	1	5556	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
677.5577@4.0638866	1	1	5074	1	1	4601	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C37 H63 N2 O5 S2	1	1	17243	57029	193114	6491	1	1	25072	1	30291	10710	41182	53271	13379	1	74140	78248	23814	21112	1	191914	102835	11188	49413	92113	81390	16174	1	3849	9769	12535	1	4510	1	24730	21560
Guazatine	1	26267	63531	37625	64368	32025	1	20629	36711	38033	40456	1	33843	33662	35906	30222	25871	24180	38509	33758	31335	31835	42715	25351	36581	40872	33880	24699	1	29224	35291	23331	20688	18586	24933	20135	14628
692.1614@4.0789967	1	1	4523	1	1	1	1	1	1	1	14891	1	7128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8701	1	1	5556	1	1	1	1	1	1
7-Methylguanine	160190	124563	374743	132622	190319	279312	191608	112765	363903	248905	376098	217588	269266	199806	168559	126553	216362	118622	109862	436132	174458	316349	103160	214463	97966	340453	241584	220109	177778	38058	198313	157958	131233	166865	109775	109967	141886
239.2252@4.086113	1	1	5042	1	1	1	1	1	1	1	4553	4499	3431	1	1	1	1	1	1	1	1	1	1	1	1	1	2605	1	3177	1	1	1	1	1	1	1	1
C23 H41 N	1	151171	271347	440220	186325	98803	162298	85043	376329	90058	68068	1	89609	104494	1	82426	88216	66620	138822	72680	1	1	120954	1	82391	137917	78039	155533	1	103013	780776	1	75544	1	1	161566	129648
C4 H7 N3 O2	1	15671	47909	1	27670	28516	20126	1	31060	34213	58033	1	1	24739	18150	17303	26991	20245	1	61491	1	49164	14710	1	20990	25671	29196	29622	1	1	24004	23831	1	16432	1	1	12801
672.815@4.0950146	1	7386	3460	1	1	1	1	1	1	1	1	2948	1	8084	14483	1	4770	1	1	1	1	1	1	1	1	9420	1	6977	1	1	4993	1	1	1	1	1	1
1035.7635@4.0949893	1	1	33928	56074	20370	32293	1	1	76349	1	1	12011	12763	13862	1	11589	1	1	12235	1	1	1	11895	1	33340	17481	35759	1	20580	22751	15162	1	1	1	1	18193	1
526.3956@4.0976334	1	1	220185	354009	1	227058	1	1	462709	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	232506	115524	267793	1	147015	144428	1	1	1	1	1	124990	1
526.8972@4.095713	1	1	114001	187485	66275	116281	1	1	251172	1	1	1	1	1	1	50524	1	1	1	1	1	1	1	1	125957	58844	134101	1	76254	80611	1	1	1	1	1	64622	1
341.329@4.0956264	1	5443	13357	7738	1	1	1	5885	1	5077	10027	8480	5510	4691	1	6827	1	1	5972	6434	1	1	1	5896	5043	7505	1	1	1	1	1	1	1	1	1	5996	3459
C19 H33 N O4	21362	40878	45703	30736	39587	52388	36202	20618	48422	38883	39389	50818	38273	26087	28664	23178	21434	26922	27868	29056	15034	34235	31448	38043	27449	32762	22485	25119	35479	27818	35423	36276	28296	17593	34190	26084	29268
C40 H75 N O S2	1	12342	27157	6999	21116	17938	7845	1	6422	9124	6663	10162	8437	7173	1	7685	1	3297	5945	4128	2688	1	8837	11529	5641	8671	1	7911	1	1	12429	1	1	3615	9126	1	1
N,N-dimethylsphing-4-enine + 4.1255655	6877	1	28709	23902	27674	15290	19318	23816	19569	20545	23824	19003	16768	16606	17201	15362	8641	11831	18018	19769	13410	17174	22215	4081	18910	19493	17777	14107	10933	15496	15855	12691	12350	13129	12998	13688	11297
339.349@4.116	1	1	9334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
621.4967@4.104124	1	7491	5118	1	1	1	1	1	1	1	2255	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6388	1	1	1	1826	1	1
C21 H37 N	21187	59820	169815	101910	54256	46229	100128	24626	149260	39245	29436	1	33094	53563	1	37326	44236	30907	83853	27579	50768	19683	38879	21985	28551	52969	54582	33480	18305	30427	846696	53641	32302	35022	29220	55836	40446
1007.7322@4.1441016	13050	1	29439	61913	18392	31530	1	1	93808	1	13439	13284	14147	13954	1	14406	10029	9531	9218	1	1	1	14526	1	44449	18718	34850	10941	24786	19664	14604	1	3767	10978	13216	19263	4246
C25 H54 N O9	72017	1	157176	348908	111017	172405	1	1	506656	1	77274	62611	83033	66569	1	73146	53097	1	1	57391	1	1	54991	67132	259867	99450	209561	63459	146206	121973	92655	1	1	66223	52615	107906	1
C15 H N2 O15 S2	39942	1	85942	181961	61976	96111	1	1	276372	1	40225	32457	42348	37907	1	44599	34384	26456	1	28209	28325	1	26798	27521	132951	51262	111674	32906	78312	61108	44358	1	1	1	30662	56674	1
313.2976@4.1376166	1	1	7938	1	1	1	1	12216	1	1	1	5387	1	3579	1	3295	1	1	1	3784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
l-Methamphetamine	2428641	1	2389701	2419174	2463677	2403560	2313212	2253580	2285221	2217096	2389117	2352329	2336246	2218716	2202371	2198018	2251961	2213636	2263424	2302580	2162057	2370812	2310321	2334904	2233860	2135193	2206007	2240559	2223225	2236284	2197531	2281473	2155047	2138241	2167233	2206500	2150278
236.0805@4.1644454	1	1	44251	1	1	28777	1	1	50829	1	51494	49582	59435	1	1	1	17767	1	1	1	46329	38611	15393	80331	1	1	1	1	1	1	26193	44148	33588	20855	1	1	1
635.5093@4.156	1	1	1956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H27 N	178660	175410	184091	185804	192702	194884	185926	196357	191728	194144	196739	198846	189828	182315	193758	181900	186594	181873	179437	163818	176664	167013	192633	185089	193792	197325	188545	180304	184866	184606	187581	184054	184955	180874	190534	186846	179138
Sphingosine	1	1	15690	1	15004	8176	1	13536	7898	7960	9510	13166	1	1	1	1	1	1	1	8879	1	1	11455	1	1	8958	7824	1	1	1	7726	1	1	1	1	1	1
C20 H43 N	1	40206	165369	33764	1	23356	15270	19269	9530	20959	212924	1	12939	1	7283	12637	16256	8608	7430	1	1	23190	10643	10824	8547	18982	1	18513	16064	1	563383	12285	67659	21616	1	10461	73857
C3 H10 N3 O6	9048	1	18082	1	71121	12642	11769	13623	1	8457	25978	1	5669	21842	11178	9115	14416	9225	29027	85523	1	18086	15187	3848	52543	18599	24706	31280	7384	1	1	5664	1	1	1	10461	1
C22 H45 N O3 + 4.1897645	37138	1	92220	44082	121542	17692	72652	32767	69922	1	18667	18090	47078	38587	48325	49838	55494	14216	13106	43498	16990	1	48103	1	48069	44684	53966	41436	43802	86621	43043	34920	1	1	1	1	1
5-O-?-D-Mycaminosyltylactone	17732	25852	28619	14960	30110	26817	21570	18342	24436	21284	21422	23615	17278	18894	24525	17817	15869	21438	17066	22108	16455	19803	13900	16778	18684	17485	18567	13690	19078	15753	15786	16957	20478	14942	12843	19978	15899
Istamycin C1	55416	1	104640	893990	300755	80926	155402	49450	165419	77287	130666	118311	192506	246803	101928	95180	149441	153627	69517	93872	62183	481667	990521	71197	90592	197703	183795	79954	57186	74100	109076	165789	61404	47632	75285	114844	102813
C20 H35 N O5	181068	299115	316418	184141	262044	305456	244907	156606	265868	260267	305423	312375	280907	182704	206333	227668	153668	208535	179737	210657	143805	213749	208000	199604	154467	205369	221747	211334	226129	202083	209433	245388	190792	155119	257851	211286	179058
621.4961@4.1946783	1	1	14269	8839	18413	11167	5280	1	6144	6235	7783	8705	6388	5637	1	3824	1	1	4411	1	1	1	1	5124	7300	6762	1	1	2954	3716	10689	4192	1	3863	6392	1	1
C25 H50 N2 O2	11651	7023	32055	18645	18936	34577	1	3551	17568	1	7040	11194	18077	16849	3650	13495	10804	2545	7833	1	5896	8316	1	14715	17480	13382	37777	10710	17142	15078	11345	5178	1	8640	8806	21305	1
367.4174@4.210986	1	1	41412	57854	42956	31292	33543	1	44946	28298	1	1	29775	23512	1	21906	28746	1	35113	1	24731	1	41968	28151	35989	40388	28004	42032	32007	32319	23336	27086	1	21588	22602	28292	27017
765.2116@4.195	1	1	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	1	1	1	1	1	1	1	1
327.3497@4.206519	1	1	11221	1	13802	1	8154	1	4623	1	1	1	4540	4012	1	5244	5878	1	1	4067	1	1	1	1	4452	1	1	3518	4743	11133	1	1	1	1	1	1	1
648.7949@4.200623	1	1	3564	1	1	1	1	1	1	1	1	1	1	1	9955	1	1	1	1	1	1	2674	1	1	1	10175	1	1	1	1	1	3286	1	1	1	1	3866
1-methylhistidine	15140	1	37255	23208	13599	1	11946	9655	55196	44362	50679	27935	37478	54899	12206	17191	35564	26822	1	26775	1	16600	16115	16811	1	25998	20900	15003	1	1	24219	22710	18200	26354	1	11526	1
537.3663@4.2207932	1	15507	22042	1	15793	9844	11367	1	1	10527	9339	7532	1	8500	14467	1	1	11387	3605	13380	1	1	1	1	8316	8552	2869	1	2845	6305	1	1	18456	4222	1989	10024	4840
385.3901@4.2252793	1	1	10493	1	9268	1	5893	1	3207	1	1	1	3486	1	2433	3727	1	1	1	1	1	1	1	1	3802	1	1	1	1	9676	1	1	1	1	1	1	3158
D-Proline + 4.22679	1	39433	99128	1	1	114742	109158	63451	74801	89777	145456	99940	113947	66026	52294	58297	67855	64636	62574	149985	142158	111928	50742	70832	67770	1	1	118177	108735	1	112202	110472	56079	87022	116741	90697	62066
230.163@4.224277	1	1	16570	1	13424	13620	10448	7405	12949	11015	13451	14120	9694	9251	1	12578	9895	7477	8064	11403	1	1	1	1	11473	14111	11152	12258	1	1	1	1	8034	1	10162	1	1
339.3855@4.2361097	1	1	10330	21639	11682	1	1	1	11248	1	1	1	1	6218	1	1	1	1	8890	5284	1	1	12830	1	8014	14992	1	8618	8126	1	1	1	1	1	1	7610	8117
C16 H33 N O2	18567	36914	22129	50425	23696	10749	22693	9158	28094	31533	17316	19447	49056	15116	14717	18073	10664	12940	25857	21087	11361	31407	47007	33313	12089	17261	29620	7644	21740	20753	33107	8591	20203	9404	28756	25119	9520
405.995@4.224003	9568	1	7294	1	4735	1	1	3572	1	1	1	6525	1	1	1	1	1	1	1	1	1	5793	1	1	1	1	1	1	1	2750	1	1	1	3258	1	1	1
343.3083@4.231048	1	1	46344	30263	29439	1	17503	9267	26049	1	1	1	16474	13217	19557	12872	14866	1	1	12916	19045	1	11614	1	20117	16131	17574	16874	10671	21366	19572	10648	1	22384	1	1	1
Cytosine + 4.227604	645632	1	566951	314381	366869	259691	711678	346925	466190	204729	331622	552180	462323	143760	506175	211938	211299	121847	83844	892410	304208	1210828	130310	413370	217050	316793	351007	277326	396555	177792	180226	401882	301856	430830	200195	245066	333682
Cytidine	2352104	1	1905368	703633	1153456	537055	2652797	878596	1326917	464258	868503	1841750	1393206	297033	1462058	508903	498156	248859	169595	1651985	789211	5983692	284959	1105255	466302	801737	909410	677136	1114008	365018	377534	1071451	706319	1202928	443748	534637	825634
323.0256@4.2288594	13260	1	22337	6358	13173	5114	20301	9044	1	1	7598	11824	9719	1	9894	1	1	1	1	15184	7757	19768	4039	9884	1	5665	6447	5492	1	1	1	1	7041	13073	1	5457	6588
C12 H15 N9 O	26757	1	18823	6757	11883	5659	18654	1	10993	1	11219	12826	11401	1	12054	1	1	1	1	33803	6432	49912	1	9874	1	1	6113	1	9354	1	1	9912	5340	8956	1	5015	5326
d-Dethiobiotin	20485	1	17775	11589	30942	13502	1	24182	11352	1	26835	1	1	12286	25433	1	11450	18779	39655	1	1	1	10106	1	58000	20278	32503	1	1	1	11992	1	1	1	16038	1	1
566.1115@4.2218065	5564	1	6231	1	1	1	1	1	1	1	1	3446	1	1	2605	1	1	1	1	1	1	17202	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
579.3779@4.228629	1	8551	14503	1	11977	1	7939	5832	1	1	7112	1	1	1	11667	1	3304	11645	3446	10249	1	1	1	1	1	1	1	1	2609	6546	1	1	12452	1	1	8198	5958
C20 H43 N O	55957	25842	130981	264099	157026	28838	106543	41032	80921	18023	53607	23231	61475	53095	55230	70892	85681	14560	14735	62279	18327	15411	61841	31106	76507	68948	74014	68477	54851	154334	81236	44737	23922	12404	30227	31575	40980
244.223@4.2347803	1	1	7526	1	10496	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4620	1	1	1	9482	1	1	1	1	1	1	1	1	1	1	1	1	1
225.2089@4.232404	7649	1	29270	1	33302	1	1	15068	1	15230	1	1	1	1	15972	1	1	1	18320	16479	1	17031	1	27781	1	1	1	1	1	1	1	1	1	12455	1	1	1
521.3333@4.241827	1	1	18090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9020	1	1	1	1
C20 H24 N4 O6 S	27619	24150	30873	24480	43154	25968	26393	17361	28675	28822	30274	30438	23435	23756	22204	16721	15090	1	17649	16015	16406	19185	12842	1	17460	20718	10874	1	17959	18082	20019	13936	1	12447	10716	1	9874
408.3701@4.2443666	1	1	7310	1	1	7964	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7958	1	3699	2646	1	1	1	1	1	1	1
C20 H45 N4 O2	1	25115	265850	26690	111330	101719	69020	28520	235757	1	126147	86828	54143	31489	18978	48915	48396	1	15528	34622	24706	1	209970	1	35813	33254	37152	27155	36213	40067	197732	71709	26604	11289	43511	25099	1
382.3559@4.261459	1	1	6841	1	3978	5279	2190	1	1	1	1	1	1	1	1	1	2469	1	1	1	1	1	1	1	1	1	5311	1	1	1	1	1	1	1	1	1	1
301.2388@4.234	1	1	9995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
381.2512@4.238652	1	27243	6860	5555	1	1	4465	1	1	4133	1	8005	1	1	1	1	1	1	1	1	1	1	1	4406	1	1	1	1	7039	1	1	1	1	1	5929	1	1
C24 H43 N S2	1	19917	29379	10782	18440	25529	14546	1	17160	18449	18742	20644	20041	11467	11278	9038	1	15122	11707	13905	1	1	11413	16219	15080	19901	14129	13963	14467	1	18232	11148	12996	1	19289	11531	1
C31 H59 N4 S2	2314	12485	23649	2946	21147	20050	10925	1	1	6710	1	20289	7534	10505	1	10841	1	6379	4071	3806	2339	4138	1	12712	1	7908	1	11301	8143	3898	11527	7691	1	1	12802	6898	5497
C18 H31 N O5	206556	257892	273523	204291	277739	308614	259429	168510	264400	233881	266869	292398	337200	202651	206994	251199	179058	187016	163706	228442	155223	221294	235415	219802	170805	196065	222364	223838	195211	210139	209713	231064	181688	195393	262556	203323	181165
C22 H47 N O2	1021115	392147	2474209	1011981	3324274	550989	1964986	663588	1491166	206717	595429	462334	1301504	1051792	895776	1204718	1171596	254393	270091	938948	329399	238225	970056	345642	1176451	1024526	1377651	1015756	943892	2314185	1308502	928224	603546	281307	946080	1053194	1022338
401.3671@4.2517886	1	1	39688	1	36621	1	21450	1	1	1	1	1	1	10486	13906	1	1	1	1	1	1	1	1	1	1	1	16090	1	1	24148	1	1	1	1	1	1	13705
565.4347@4.2648892	1	1	9329	1	1	1	3319	1	1	2891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1936	1	1	1	1	1	1	2008	1	1	1	1	1
399.262@4.2549367	1	12146	10323	1	1	7131	11784	1	1	9343	12203	6395	1	7662	11755	1	1	1	1	11874	1	1	1	1	6205	9123	4823	1	17737	8431	1	1	9330	1	1	8605	1
C13 H29 N4 O + 4.2579527	14692	29218	44879	20907	30214	37625	20170	18276	27609	30892	33565	35313	29029	17625	25718	17872	18082	32294	20756	27123	14010	29379	18938	29145	23548	40970	22865	23301	25237	29147	26154	25492	26692	18019	30368	36341	30569
397.3163@4.2522163	1	1	4374	1	1944	1946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
548.4088@4.264088	1	1	271287	477591	169613	268853	1	1	545824	1	1	134365	1	1	1	143216	1	1	1	1	1	1	1	1	265631	133041	341279	1	180606	184806	132607	1	1	1	1	168748	1
548.9103@4.26132	1	1	144889	240517	99298	150956	1	1	298740	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	156057	1	160739	1	1	98199	1	1	1	1	1	1	1
C16 H39 N7 O2 S	37659	114322	179226	46343	126134	165345	81074	50085	95533	108171	140876	135480	102431	57817	95636	69402	49013	102402	61517	95701	37229	67928	58008	84351	72061	106668	76144	102619	88823	75194	72274	87147	101584	50474	106006	82103	69206
1079.789@4.266391	12770	1	33388	47491	19101	27829	1	1	57256	1	1	1	1	1	1	13476	1	1	1	10057	1	1	1	1	29265	15881	32981	1	22200	18062	13958	1	1	1	13262	20364	1
443.3969@4.267499	1	1	12507	62365	1	1	1	1	1	1	1	1	6381	1	1	1	1	1	1	1	1	1	1	1	1	3747	1	1	1	1	1	1	1	5574	1	1	1
C20 H35 N O4	87630	138450	179823	137206	173575	181402	140545	84433	179291	157846	167696	204107	159632	133018	120186	118394	97659	104967	120178	113979	97637	141420	126885	148230	114133	118105	119190	96235	143569	118138	163629	130810	96828	83342	161254	101332	99979
C17 H37 N O	8984	11995	23143	12612	28392	17487	19739	6652	13538	1	14803	22000	17522	17326	11194	14550	1	13704	11968	10702	18223	14062	1	1	12592	10836	1	10960	6178	11829	15269	10021	1	1	1	1	1
C19 H41 N O2	25289	36045	36927	19380	36471	2587	24648	1	23410	1	1	1	28648	1	24940	24838	1	1	30501	1	29342	1	17296	29354	14785	16541	1	1	1	1	1	1968	22337	20117	1	9954	8450
287.2251@4.2694664	1	1	18982	1	1	1	1	1	1	8375	1	1	1	7472	1	1	1	1	1	1	1	1	1	1	1	1	1	7014	1	1	1	1	1	1	1	1	1
341.3649@4.265	1	1	8848	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
343.3448@4.2731676	3161	1	6816	3121	10979	1	5751	1	6400	1	1	1	1	1	2468	2799	3765	1	1	1	1	1	1	1	1	2922	1	1	3116	1	5067	1	2036	1	3106	1	1
251.2358@4.267	1	1	2526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
315.2772@4.2701387	1	1	37841	1	10380	1	1	1	1	1	1	1	1	1	22995	1	5756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18624	1	1	1
2S-amino-tridecanoic acid	13219	6779	44095	36937	39688	1	49023	25229	36969	16418	78504	49598	33872	26752	32058	49814	22558	44981	30715	26949	21451	36121	36185	1	31749	34975	27490	27510	44261	24910	39375	28681	1	17415	37820	18208	20855
227.2611@4.2850976	1	17955	19656	155314	19605	11481	35727	13740	16035	35725	1	8887	1	1	1	1	22310	12173	15948	1	1	1	15895	37487	19656	26965	15866	1	1	9188	10471	1	1	16426	1	17196	1
C20 H43 N O2	29745	13198	82136	31200	116574	23323	50626	21857	49530	8818	19004	17406	39811	32622	24295	32793	32218	9298	11695	25505	14180	9537	30509	12376	32617	32614	40061	28827	28242	64190	38239	25731	20221	11599	28861	31406	25703
C14 H29 N O2	5696	28362	21173	11233	1	21241	55296	32639	10122	17555	18290	22327	21449	59625	12852	11884	36724	13679	17141	1	44823	8333	47329	19470	69195	17200	10809	35947	56563	77087	120873	45317	12241	15720	64228	17407	12269
Pumiliotoxin A	1	20644	22469	8935	17697	10168	1	1	10866	1	16986	9715	12659	12516	14940	18753	11151	12286	1	12567	20245	9731	1	1	14593	13882	16764	24932	1	12841	6484	1	13055	16938	10376	19656	6693
171.1982@4.358289	5533	10074	6651	11946	1	11991	1	1	1	1	1	7553	1	1	5854	1	1	1	10923	1	1	1	13013	7759	1	1	1	1	9070	4163	1	1	1	1	8493	1	1
495.2616@4.292	1	1	5077	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
415.3653@4.2942324	1	1	8361	83247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
283.3237@4.3038855	1	1	93731	264115	50592	1	1	1	33345	1	1	1	1	1	1	27860	1	1	1	1	1	54921	34773	1	28476	71588	1	92073	1	1	1	1	40862	1	1	1	35949
598.5269@4.305395	1	1	4908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4396	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H39 N S2	1	27850	31220	14590	28506	23270	28357	1	21781	22461	25106	1	27981	23371	18558	17493	14530	18066	14838	21341	14353	19639	16561	1	20202	21064	20090	17888	1	16372	18897	17690	17944	12330	17912	20242	15200
470.1758@4.312896	9762	21773	5248	1	1	1	17101	1	1	1	1	7697	1	1	3894	1	1	1	1	21173	5591	31982	1	10836	1	1	1	1	6041	1	1	3089	1	3736	1	1	1
541.434@4.297092	1	1	17394	616657	1	15101	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C39 H67 N2 O6 S2	1	1	10641	37511	132901	5085	1	1	17663	1	20405	6468	26606	29286	9873	1	48520	50312	16535	13847	2896	123619	68510	8744	34160	60555	56405	11117	3972	9462	6759	8918	4763	1	1	16434	12902
397.2821@4.3055577	1	7227	11495	1	7889	1	1	1	7995	7900	1	10327	8814	4648	1	1	1	1	5148	1	1	1	7144	9125	1	1	1	1	8190	1	6153	5473	3601	1	6354	4810	1
1051.7584@4.316585	10438	9987	21574	52932	15743	25321	1	1	75979	1	1	8948	10908	9260	1	12538	10555	1	6306	10204	5455	1	9252	1	33718	14690	28103	11210	21535	16571	13134	6713	1	8121	10817	17681	1
C15 H3 O20 S	49198	1	98307	241043	79233	122767	1	1	334528	1	46870	45862	56324	47692	1	55857	42498	1	1	1	1	1	40028	36569	163963	66922	136129	45688	102394	74706	61798	1	1	43145	42227	74602	31908
C16 H44 N19 O2	95043	1	200065	435899	142895	204485	1	1	634164	1	1	100162	114843	93039	1	101425	86267	74259	87536	1	1	1	80646	1	310425	130291	262343	95700	174078	156217	114174	1	1	89123	89161	138030	1
C26 H20 N5 O3	1	14537	14485	10241	6401	16209	12237	1	15552	11340	15786	14414	10382	5851	1	8983	14214	1	3479	16855	10827	7517	1	9337	10037	1	1	14366	5412	11567	8232	7337	15576	13521	13298	12457	12911
133.0253@4.311915	1	1	7540	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2164	1	1	1	1	1	10310	1	1	1	1	1	1
C13 H18 N6 O5	17795	1	133743	29164	182900	237329	16417	5815	254550	230947	484388	45598	24206	53231	40258	26858	74747	53098	52347	137985	109943	87232	47363	32355	21402	168726	260756	166209	32482	1	206266	131259	12986	10423	9068	6052	15031
498.1879@4.31193	14619	1	11470	3189	1	9565	18833	1	12671	1	19691	17127	16590	6555	10510	1	1	4940	8894	1	19901	26369	1	15778	1	7362	1	6399	5670	1	8406	4876	1	8682	4412	1	5123
Cytosine + 4.314314	1022153	303653	1169745	660318	1105299	1202882	1256353	629199	1301756	1145143	1747697	1204760	1178997	804130	1007611	752026	821576	757683	768767	1454774	1221237	1498494	699559	1260505	610335	1048331	1174604	976646	888053	301261	1114527	880170	621025	875902	609712	665635	694171
Deoxycytidine	1177943	275548	1110917	509951	673056	854021	1293770	476267	1082044	726517	1670384	1465523	1470258	701339	1050256	640129	700450	621651	745747	360253	1383135	2023591	589612	1253213	439885	830544	560607	664927	576288	158089	866171	602739	438791	897630	441110	525364	575441
C17 H11 N4	8563	1	9571	1	1	10310	12377	1	8888	1	13012	12421	1	6924	1	6839	6872	7567	7010	1	9824	12216	6629	1	6010	6672	1	8176	1	1	7229	1	5671	1	6665	8639	6971
291.2207@4.306	1	1	10583	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H21 N2 S	76301	193989	62013	32849	45338	49582	54902	29618	53003	43204	84322	59099	66293	32571	45373	31563	38622	31605	38489	40295	44082	99669	30723	43152	25404	37712	28370	28551	24056	12046	40765	34773	26314	38448	22798	28409	25804
C19 H41 N O2 + 4.316306	30446	42033	79289	32870	89268	59257	55115	26099	41430	38715	68985	68763	47784	37128	29686	34745	29850	40579	42649	32823	49893	1	32958	51906	33002	32035	37722	45007	31752	54651	43518	31834	41042	40962	36082	31820	26596
Erythrohydrobupropion	1	17559	23936	19204	1	1	22916	1	18268	10409	15305	1	23953	13465	1	1	11288	10792	12744	1	12400	26637	20053	20657	19779	10888	14329	14682	15217	1	18089	1	1	13132	7967	1	1
C15 H33 N O	8850	24152	37943	30252	45344	35378	33351	18653	31405	32867	34885	47066	33705	35040	29287	28692	23954	30914	26716	20518	31738	26928	26170	29022	21861	24874	27355	18161	19852	33500	31101	20605	1	1	1	1	1
C21 H35 N O4	23469	78525	135298	60497	123294	133509	112804	52923	108539	103188	120845	108564	121498	29688	97646	68972	1	94125	66199	92135	59950	91540	59925	80706	1	87177	86830	97654	76103	22136	1	91035	88392	45173	1	37668	78907
Taurohyocholic acid + 4.3186736	242791	1	14844	2376	9755	48053	795638	1	29655	63957	89013	1	26866	12574	1	1	1	1	643246	2716308	494350	14558	1	1003531	1	1	1	1	1196275	1	32018	1	1	1	1	1	11555
Palmitic Acid methyl ester	1	56180	67144	30373	1	61283	1	1	42146	1	68239	1	57393	51872	1	1	1	41473	1	29989	46775	1	27304	42396	25190	1	33135	1	24596	33889	41993	25865	1	24235	1	1	12854
N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone	49871	7656	100091	78777	102081	80043	93871	56782	95537	81813	106370	122973	105410	88584	63438	77002	68091	56469	62528	61744	76557	74126	75587	88078	75616	63508	69678	49705	66527	73945	122111	65573	60191	47200	84697	65413	50450
441.3436@4.3269167	1	1	8511	1	1	6262	1	1	1	1	1	6714	1	1	1	1	1	8500	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8861	1	1	1	4899
287.2456@4.328615	1	1	29040	1	20375	10014	1	1	1	1	1	1	1	1	54030	1	18100	1	1	1	6916	13862	4849	1	1	1	1	1	6399	1	1	1	1	19202	1	1	1
664.1396@4.322	1	1	2371	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
358.224@4.33	1	1	10500	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H18 N2 O3	215859	28847	37669	44705	103067	30974	81825	198318	30806	30468	70145	22210	34164	48893	174886	59407	47661	79116	170400	41420	24296	50524	41975	34563	539812	234199	478293	28799	27753	20297	29751	29074	16296	1	32510	55732	33921
C23 H39 N O5	26693	61690	78761	33237	51927	66139	41739	37163	53848	43499	81279	84684	71668	34221	42377	45404	28643	63939	38448	44771	29092	46725	29267	51758	51154	56679	41278	79624	54627	50306	37083	51499	41688	26442	55273	41479	46029
C17 H37 N	15141	28301	20204	64461	17956	24128	19628	15048	25013	17886	18463	16859	17612	17378	14130	21295	16974	16626	28252	19143	15061	15802	19120	16661	19188	18300	30523	17751	18170	16634	94266	15620	13271	16660	13088	16447	18910
Fortimicin FU-10	26521	61258	30143	11551	19030	28223	37517	10956	30420	23112	55179	25502	27582	16425	23331	11349	19598	16062	20999	50932	21200	52816	11144	27812	1	20962	14382	17202	13201	2183	17941	15409	8143	23463	8085	11618	11722
455.2291@4.3552675	1	1	3807	1	1	1	1	1	1	1	1	1	1	1914	1	1	1	1	1	2511	1	1	1	1	1	2573	1	1	1	1	1	1	3460	1	1	1	1
Buspirone + 4.3572464	22417	40270	61339	27985	41301	39670	47614	28359	41176	43142	50910	45608	40442	38442	30917	47536	19612	35394	31843	26811	30304	44382	29411	35434	29601	41261	31414	26381	36626	40459	35875	31560	27117	25348	42577	37688	27120
102.0538@4.3596206	8912	11741	7303	1	1	1	14154	11005	8699	9266	7234	1	11654	10982	8810	1	7982	1	16045	1	1	1	1	11084	12633	1	19934	8211	1	15269	8830	13611	13433	1	10567	1	12731
C17 H37 N O2 + 4.3667655	39043	65984	62884	49004	81512	70459	60042	30146	1	1	74546	82408	56326	57068	42884	42875	39984	48855	1	30243	54413	1	35020	59087	34821	33122	41883	33288	31218	54774	54433	29913	42627	37895	22198	26604	19056
185.214@4.3682036	1	11485	17953	1	15668	1	13016	1	1	1	1	1	1	1	1	1	1	12732	1	1	1	1	1	1	1	19438	1	1	1	10716	1	1	1	1	1	1	1
306.0583@4.373709	1	1	10167	3423	1	5341	1	1	6962	5318	9667	1	1	1	1	1	5543	1	1	7711	1	1	1	1	1	4384	1	1	1	1	1	1	1	1	1	1	1
Creatinine	8344908	1.44E+07	2.22E+07	1.21E+07	1.43E+07	1.87E+07	1.21E+07	7393504	1.95E+07	1.94E+07	2.49E+07	7847474	8418855	1.51E+07	1.19E+07	9636743	1.73E+07	1.14E+07	9170122	2.54E+07	6343194	1.84E+07	9130175	1.30E+07	9065420	1.62E+07	1.25E+07	1.47E+07	9609261	3808112	1.28E+07	1.12E+07	6474779	1.74E+07	8090645	8450134	1.05E+07
C3 H7 N3	21048	32161	42769	26392	30631	33534	22522	20835	32912	34246	44296	17896	21135	32422	1	22119	34481	1	19256	44937	19079	35356	1	29609	1	32282	24826	28483	19784	11384	26944	24818	1	33287	21282	16584	1
C6 H13 N5 O	302862	885907	527970	287518	357150	467836	338213	193635	472489	433577	585214	212601	237457	317172	261444	236854	367201	251396	257461	595516	156068	494489	200139	284894	184160	325438	254007	285047	199805	85309	269682	251431	171154	342114	177081	181672	201997
151.0145@4.379756	1	26544	6900	1	1	7630	1	3005	1	1	7860	1	1	1	1	1	5192	1	1	1	1	7027	1	1	1	1	4891	4905	1	1	1	5311	1	1	1	1	1
58.0529@4.3802834	344735	1019171	613424	328906	412730	548011	395469	240370	559670	510314	684502	260326	281543	361759	318053	281735	429375	278467	317133	730120	198659	555820	241274	374549	246674	359602	287709	347414	260580	1	347328	329671	1	412437	215870	211919	272283
369.2512@4.3816123	1	1	8657	1	11786	10266	14690	1	1	1	8743	7879	12830	10570	1	1	1	1	1	1	1	1	9749	8199	1	1	1	5902	7709	7404	1	1	1	1	7212	1	1
311.2097@4.422255	1	1	5489	1	1	7850	1	1	1	1	6323	8306	1	13988	1	10479	1	4292	1	1	1	1	1	1	1	9642	1	1	7233	4861	11585	1	1	1	7342	1	1
509.3716@4.38295	1	1	3578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2824	1	1
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	1	12341	14321	1	1	16642	11794	1	12047	11448	14619	17701	16968	1	1	13520	1	1	1	1	1	1	11832	13169	9003	11403	11650	11951	9646	13014	11082	12541	1	1	16011	10325	1
C11 H15 Cl N3 S2	21173	150276	88743	44276	42331	81303	47389	25940	119645	88078	119172	32738	37019	64994	51877	35066	73188	45011	36264	187053	22817	106830	35893	58429	34960	78381	61322	86258	46686	7755	57437	58787	26629	86447	33992	40837	52716
C12 H26 N4 O	12001	19034	28322	1	14049	31045	11285	1	17851	16073	21215	6935	7549	9396	10757	7690	12154	11091	11366	19579	6890	22079	7987	10543	6867	12448	10723	12310	7425	3295	18249	11171	8023	13019	6486	6166	7991
354.3348@4.3768225	1619	5237	4527	1	1	1	2374	1	4341	1	1	1	1	1	1	1	1	1	1	4450	1	1	1	1	1	1	1	1	1	1	1	1	1	2575	1	1	1
C18 H38 N4 O	1	8210	8978	3761	1	9485	6300	3485	9100	9189	10061	1	1	5519	1	1	1	1	1	9197	1	7265	1	4430	1	1	1	4603	3934	1	4410	3583	1	1	1	4259	3565
Sphingosine + 4.3871903	1	27152	21555	10361	28998	1	11064	1	24779	1	1	45400	13731	7835	1	1	8556	8967	8284	1	17871	9013	1	1	7981	16335	11289	9535	11546	8760	1	7438	20395	1	6093	1	23821
C28 H20 N	1	1	15244	1	14337	10582	14474	9533	12642	7983	17749	16136	14315	8518	11526	8970	1	9137	1	24644	10082	27404	8786	16622	1	10714	10433	8997	12718	1	9764	11336	8726	12381	1	10124	11203
139.0741@4.3666797	1	27106	33190	1	28134	1	1	1	1	1	27973	1	1	1	1	1	1	1	1	1	1	20452	1	1	1	1	41919	1	1	1	1	1	1	1	1	1	1
C15 H33 N	27267	37321	40296	3107981	36029	44986	101940	39736	49755	33998	1	32593	31945	29576	34538	31310	55271	36701	55550	27030	23435	40419	35807	36589	39510	46820	41721	39627	32293	29236	58835	33690	28320	26480	30708	29144	31694
215.1881@4.3625693	1	6889	18096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13403	1	1	1	1	1	1	1	1	1	1	1
401.3852@4.399087	5664	1	17297	1	20608	1	11102	4604	8827	1	1	1	8650	6585	5683	8594	5953	1	1	1	1	1	5957	1	7242	8517	8994	6502	6184	12517	1	4359	1	1	4952	1	1
399.3704@4.3972583	8811	10403	53398	284874	13505	22793	11673	1	14228	15649	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11797	9292	1	1	11573	1	11997	1	16990	1	1	9255
397.3549@4.4021354	1	1	23627	61424	4713	8154	1	1	18018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2644	1	6276	3877	6424	5125	1	1	3513	5852	1	1	1
Curacin A	13670	29864	35392	1	21839	16324	22179	17975	16093	20180	29121	13258	13405	16109	22491	6893	11850	19630	11601	25001	11253	15301	6626	12110	14952	21378	15223	10389	12348	16681	7910	9720	25367	9549	1	15965	17077
385.3546@4.413698	1	1	5785	45056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
159.1619@4.414424	1	8652	7392	1	1	1	12453	18361	9669	1	10082	12949	8094	1	1	6621	7791	12435	1	1	1	1	1	1	1	11160	1	13574	1	8930	1	1	1	1	1	8546	13984
413.3136@4.4189587	1	34452	39061	1	39636	47276	39904	26490	1	26655	32102	35578	19229	24024	33698	14841	18246	38606	1	37520	26567	18403	1	12821	33412	23481	15346	26033	22954	25807	1	25713	39610	34095	15382	26017	31916
C3 H5 N3 O	1	11237	20201	1	11855	12400	1	7208	13322	16228	21633	7538	1	9765	10437	1	8883	6761	3313	18262	1	16397	1	6200	1	14216	15653	12099	5015	1	12662	1	1	7786	4226	4590	5553
570.4218@4.4226027	1	1	329774	565670	211033	290618	1	1	617511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	358116	181832	396559	1	244377	227054	1	1	1	1	1	1	1
570.9234@4.42414	1	1	181931	306538	134997	172225	1	1	351302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	181442	107089	214458	1	136062	126860	113807	1	1	1	1	136042	1
1123.8156@4.4321036	10969	1	29552	39395	1	23714	1	1	46723	1	1	6580	1	1	1	15674	1	1	1	1	1	1	9542	1	26738	14124	25404	1	15577	16379	1	1	1	9724	1	15269	1
C22 H39 N S2 + 4.426161	14492	1	28561	16227	24966	30703	23287	23839	31570	21112	33361	23792	33307	17219	17102	21603	16400	26860	23615	18708	16982	25800	17109	21539	24100	22520	21370	32449	24925	24852	18182	27871	15555	18011	19360	18945	24720
Sphinganine	9648	1	32411	7371	29223	15355	1	1	39143	1	1	31437	1	1	9226	10395	7410	5441	10330	6091	10562	12016	1	1	1	25294	10195	9115	4223	3276	1	5752	9828	5796	1	1	11369
371.3393@4.438662	1	1	87243	622661	1	39926	15776	1	21590	18578	1	1	1	1	1	1	1	1	1	1	1	1	23438	1	15741	1	1	1	15306	1	1	1	1	25103	1	1	1
324.3132@4.438692	1	1	5222	12893	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.2833@4.4496427	1	1	7636	1	7480	1	1	1	1	5644	1	1	1	1	3347	3693	1	1	1	1	1	1	1	1	1	1	1	1	1	3384	1	4459	5293	1	4770	1	1
201.173@4.4435096	1	1	19768	1	1	26753	1	1	1	1	1	17147	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H35 N7 S2	1	16485	17067	4535	16261	6091	14646	1	8642	1	11110	6818	1	1	13232	1	8876	9933	1	12595	6518	1	1	1	8089	1	11165	1	1	7943	1	1	13284	5303	1	10651	11422
Dicyclohexylamine	11992	25501	28438	25920	20224	21627	18498	1	27991	22734	27108	28839	32036	17574	18978	18200	12338	17430	23651	20986	10502	27937	21834	24096	13672	23950	22417	12722	20935	18693	19874	16031	16000	13138	23065	18487	16178
N,N-dimethylhistidine + 4.45251	1	25595	60780	18124	17077	30727	21565	1	42895	21265	36977	18418	22128	21279	1	14060	17326	1	1	36535	10474	23629	16805	24095	27261	21351	1	21622	1	1	1	12125	1	17135	1	16157	1
343.3442@4.4552236	1	1	7330	8125	8853	1	6423	6721	7959	7919	8152	1	8402	8400	5900	6746	6371	5375	1	1	5367	1	7788	6384	1	7106	6575	5628	6091	1	1	7213	6007	7229	6271	6216	1
429.3809@4.460664	1	1	279898	987040	28145	1	51671	1	21451	37804	1	1	81078	1	1	1	43407	1	1	1	1	1	36625	1	1	63817	1	24224	1	1	1	47195	69338	169477	1	1	25720
556.4062@4.4684496	103240	1	211306	501918	160171	248666	1	1	642822	1	1	149517	1	117130	1	145216	134497	75444	1	87133	1	138291	90083	1	311640	139866	262703	126253	193235	162128	232088	107679	1	107098	96650	153362	1
C17 H5 N2 O16 S2	58316	1	136921	286503	97452	127866	1	1	386184	1	63207	1	73073	64661	1	74755	1	1	49338	52951	39006	1	51677	59273	182476	78975	155393	59362	126897	100389	75226	1	1	52511	57888	96068	1
C12 H21 N5 O4	11546	27974	11460	9071	10628	11825	15786	5808	14145	13973	22697	15398	20143	13076	12245	9672	11723	10935	10029	28803	12705	23239	1	18014	7837	14382	12296	8843	8966	3383	7598	7930	8034	11396	6662	1	8102
5-Methyldeoxycytidine	26319	14858	27916	17835	32700	29149	31553	17214	30256	32144	56687	38738	43098	27152	27978	21717	25378	26527	18726	68059	30879	55107	22599	34199	16255	32656	25969	23098	15256	6664	23381	16936	18438	22527	13465	16363	20256
5-Methylcytosine	45928	23574	68307	33447	66659	86642	48524	31129	82628	63546	150291	66556	84038	56445	55415	44818	47192	48057	30260	133817	63185	100318	44652	65167	40811	61672	63648	50258	33770	1	60435	39304	30516	42595	23868	34848	38995
1095.7843@4.471565	11600	11643	19731	41406	16061	18890	1	7782	54193	1	11342	8589	10562	1	1	9805	6267	4052	1	1	1	8553	6168	8510	28055	12759	21750	1	16971	13402	11418	4713	1	7301	7425	13946	1
C10 H23 N	63205	69742	109687	69351	94767	91489	87077	63700	79512	90744	114609	112454	77473	67827	88463	94039	64221	67027	78636	85764	62182	79035	62710	70845	65142	96621	75607	72370	82167	95555	71582	95484	85729	68802	85317	74751	70852
427.3655@4.454891	1	1	53570	1709759	10944	1	1	1	1	1	1	1	81898	1	1	1	1	1	1	1	1	1	1	1	1	23941	9836	1	1	1	1	22241	13661	1	1	1	1
415.3654@4.4657607	1	1	17537	116485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4421	1	1	1	1	1	1	1	1	1	1	1	1	9138	1	1	1
343.3083@4.477681	1	1	5942	102399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
528.266@4.476845	1	1	3533	1	1	1	1	1	1	1	1	9959	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Netilmicin	36918	1	74677	597954	222987	54230	113403	39247	122414	52304	97824	77051	134878	168750	82972	73601	113667	108853	48258	73438	59764	357025	693239	50958	76113	166217	133381	64542	38672	54362	81858	112006	44958	35483	56578	86362	73465
C26 H54 N5 O2	1	1	5792	1	1	1	2838	7167	1	1	6253	7824	3772	1	1	5667	1	6345	1	2979	2597	1	1	5939	1	7165	1	3830	1	6887	1	1	1	1	9322	6822	5225
C9 H21 N	1	46444	61214	54837	68302	58300	19929	1	73732	44042	84999	80390	71087	54468	1	53599	36956	56835	56212	1	32556	51313	64129	58101	1	51971	62860	37147	44852	51613	63489	54838	52779	1	69994	44435	38544
C20 H26 N4 O6 S	1	23319	28099	15294	17582	27953	22169	10601	29383	20277	24605	28016	17916	11210	1	11688	22438	9645	6937	17107	21523	13440	8223	19225	11215	5750	5168	22844	14443	18620	25192	13258	20066	25280	14093	23481	21266
401.3501@4.501701	1	1	149832	1318686	26426	1	1	1	1	31514	1	1	70001	1	1	1	38636	1	1	1	1	1	30662	1	1	50744	1	20160	1	1	1	59327	48592	105333	1	1	20786
C19 H41 N O2 + 4.5004015	18710	18494	22974	21599	24130	20094	20926	22388	21770	20845	23326	21188	22028	17880	18852	17917	19995	19175	19201	19643	20128	22717	19615	21990	20011	21229	21522	20838	20492	20609	20674	21629	17846	18381	17682	23120	18799
276.082@4.5019255	1	1	10443	1	7816	9514	1	1	1	13826	28127	1	1	1	1	1	6490	5027	1	62886	1	1	1	1	1	1	7539	1	1	1	1	1	2298	1	1	1	1
463.2567@4.5042276	1	1	3008	1	2474	1	1	1	1	1	1	1	1	1	1	1	1	2084	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H37 N O2 S2	8667	13574	16703	5834	27095	8892	16543	10484	1	12221	16546	9750	8441	13256	16910	1	11984	17557	1	18062	11338	18385	8501	6467	11554	15834	13690	5847	1	11364	5597	7289	15331	1	1	14939	16847
409.282@4.520755	1	1	11990	1	8702	1	1	1	3550	7093	11511	7252	1	1	6020	4758	1	4529	4281	4425	1	1	1	1	2889	1	3761	2634	4407	1	1	1	5034	1	6254	6282	4103
1155.6901@4.516	1	1	1762	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
767.4695@4.5308895	1	9950	3402	18227	65938	1	1	1	9236	1	10813	1	10853	12185	1	1	21272	25651	8413	5717	1	60031	35269	3957	17012	28758	28308	4601	1	3827	1	3794	1	1	1	7397	1
C17 H31 N O6	142653	249784	313178	97664	245647	200629	262632	182772	159094	195228	282173	166394	121960	197060	262016	93117	152712	206666	125314	272984	168805	175998	72999	109205	178362	206961	151230	116186	132976	177606	85483	131762	252378	134329	83926	189999	183587
C19 H29 N8	18042	26596	31097	20832	34071	25008	28389	18568	33285	26829	32041	33366	27793	20837	21357	23132	16465	17766	17128	19578	17543	29271	24270	28816	18184	21148	20639	18473	25007	21092	32242	22207	16791	14508	29667	19335	19741
187.157@4.5290203	1	1	10545	1	1	16237	8970	1	1	1	1	9134	6892	1	7541	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
d-Dethiobiotin + 4.5324354	106125	14980	26333	1	560093	20785	268546	323985	1	1	260331	1	74810	135401	416421	185901	216838	221201	142086	78069	1	378347	129603	1	458303	424790	627640	1	46847	13406	25855	1	1	31020	12858	174507	121015
411.3344@4.5301666	1	1	5860	8747	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
265.1292@4.534	1	1	19746	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H20 N2 O3	332877	1	24717	110172	375555	17857	303852	547306	8481	16336	221791	1	78996	152295	345991	201414	181341	185858	189047	103553	1	224256	102889	15444	419769	482573	733703	18431	58173	17349	22675	10731	1	27965	24819	200044	82922
373.3188@4.5463705	1	1	19959	277550	1	1	1	1	1	4825	1	1	7378	1	1	1	1	1	1	1	1	1	5437	1	1	8486	1	1	1	1	1	10328	9171	19711	1	1	1
Evodiamine	1	11179	12299	1	1	9289	1	1	31170	12640	16952	9842	7860	8851	1	3361	1	1	1	12966	17234	10610	3828	8167	1	1	1	9842	4669	1	7429	6804	8062	1	1	1	1
C15 H21 N5 O	1	10477	17098	1	11324	13147	13601	1	1	1	16453	14302	13062	9671	10504	11637	7341	7502	8912	1	9673	13502	1	1	12278	1	1	7839	8183	1	11610	9947	9730	1	8575	1	1
C17 H37 N O2 + 4.5565977	63708	60981	72049	73969	90204	66371	75566	80144	65685	65691	68814	65256	65286	66227	58858	64502	57486	60106	65349	56005	67168	73104	63616	67320	64371	65199	68789	61500	63406	62813	65460	65847	63184	58365	63941	77612	61460
329.2562@4.559837	1	1	7477	1	1	1	1	1	1	1	1	8600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
592.9368@4.572292	1	1	234900	349437	147081	227064	1	1	424293	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	320664	147274	251575	1	151518	149250	151959	1	1	1	114250	178689	1
1167.8405@4.5720625	10595	1	18502	36007	12528	1	1	1	44291	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16451	1	27718	1	1	6313	12584	1	1	1	1	1	1
592.4351@4.571951	1	1	580071	675187	291943	363836	1	1	680034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	420245	239738	444432	1	308573	296071	1	1	1	1	1	266995	1
214.1317@4.5810184	1	1	12340	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12547	1	1	1
440.3949@4.5852995	1	1	2785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2204	1	1	1	1	1	1	1
C10 H23 N O	23293	38288	49306	49958	41242	32683	38540	38027	49445	29194	56749	54760	64683	28923	34878	49044	22948	33509	40312	27650	20542	58635	48524	43448	30802	58940	38995	30122	36540	49375	53341	34861	28366	22912	48881	26140	33912
C31 H43 O5 S2	111511	8127	2807	1	6202	6019	88534	1	2004	4132	18353	1	9039	1	1	1	1	1	85192	36072	58701	1	1	41523	1	1	1	1	55007	1	4456	1	1	1	1	1	3735
987.5456@4.626921	1	1	3466	1	1	1	1	1	3068	1	10947	1	1	4141	1	1	3903	1	1	1	1	1	4130	1	1	1	6618	1	1	1	6175	1	1	1	1	1	1
503.7648@4.6076655	1	1	70235	1	1	1	1	1	1	68263	1	1	63008	1	1	60634	1	59573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26209	1	1	1	1
Taurohyocholic acid + 4.596465	1356345	38248	34126	1	47746	13002	1687806	1	4376	37428	120953	1	78701	1	1	1	1	1	984355	6457334	632068	1	1	6249070	1	1	1	1	4021059	1	33224	1	1	1	1	1	25371
981.5522@4.6242104	20717	1	34173	1	35037	12992	1	33324	21557	37744	27267	1	1	1	114136	1	38400	26048	99587	1	4170	1	8522	1	1	118739	1	1	1	1	61768	33292	8180	1	8077	1	1
1465.3322@4.6232624	1	1	2729	1	1	1	1	1	1	1	1	1	1	5033	15435	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3013	1	1	1	1	1	1
424.4385@4.601	1	1	15731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1463.3344@4.6358757	1	1	2616	1	1	2620	1	1	2084	13315	4493	1	1	4989	8005	1	2619	11915	16744	1	1	1	1	1	4153	3584	12227	1	1	1	3275	2700	1	1	4286	17785	1
C17 H7 O21 S	70016	1	146015	306613	106931	124879	1	1	344594	1	1	79612	75762	70085	1	83777	59136	1	54250	1	1	71744	76737	67262	186967	82016	159483	62110	146668	104625	72653	1	1	56131	59143	1	1
C18 H48 N19 O3	129254	1	283950	573129	1	264612	1	1	622473	1	129067	106281	134828	128968	1	124795	1	1	103038	1	1	1	133586	1	334705	216948	317432	142247	279086	184014	1	1	1	1	1	172912	91312
1139.8105@4.616837	7875	1	18835	30318	14863	18001	1	1	48854	1700	10665	5626	8625	8194	1	8147	6224	1	5451	8357	1	1	1	8703	20802	1	15037	1	14994	1	8097	1	1	6436	6858	8991	1
303.2512@4.6160254	1	1	3517	1	1	1	1	2367	1	1	1	2994	2906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	1	7815	14915	1	11527	13454	1	1	18032	3686	6853	8499	7795	1	1	1	1	1	1	1	4234	1	5235	6277	1	1	1	8575	1	3933	1	11344	7391	9159	1	1	1
413.35@4.5486784	1	1	15718	59198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol	1	12435	18547	1	12499	7792	1	1	21079	4702	1	13466	10401	6574	1	3375	3622	1	1	5781	6652	1	8042	8332	1	1	1	9727	1	5576	12213	13194	7600	9715	1	1	1
C8 H13 N6 O2	91682	1	88635	109713	151599	29395	186383	35110	13123	17839	170292	1	122160	93370	88917	90906	106554	152613	60296	63608	17479	196677	79556	1	39978	137166	54529	18214	48471	103291	29614	27302	1	38930	31966	80688	116138
Aniracetam	47889	1	38532	31815	95325	22050	86508	12561	8786	10244	110779	15044	78744	52581	37162	52108	66096	60677	49642	61333	10305	87983	30761	21612	24542	106500	34103	10884	27244	7626	15783	11853	1	21353	15246	34791	54578
501.767@4.6351614	109549	1	108233	1	174607	121321	1	158411	121688	1	130872	1	1	1	1	134245	1	1	1	1	1	197273	99887	111375	237037	146269	1	1	43493	17535	208963	1	1	60677	73514	1	115251
640.54@4.622671	1	1	4773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2660	1	1	1	1	1	1	1	1	1	1	1	1	1
499.7684@4.6359777	1	1	37982	277625	1	1	134212	21617	19934	18808	249075	1	1	172200	388265	42622	1	1	327120	213572	239248	1	208058	15495	32750	51393	280638	1	1	1	21708	144188	1	1	38451	1	8561
935.5874@4.6292295	1	1	8105	1	13077	43726	1	1	51167	1	119510	1	1	92297	1	1	47591	80745	1	28494	1	1	1	1	1	1	1	68171	1	1	44079	123823	1	1	1	1	1
C17 H29 N8 + 4.6266026	1	1	18525	7391	16885	19527	1	1	1	1	15516	1	1	1	22166	1	11884	1	1	17661	15101	12266	44867	1	12984	8420	1	8350	1	12467	1	8575	16509	1	1	1	13967
937.5863@4.6303105	1	1	7614	1	1	1	1	1	1	21873	1	1	1	1	1	4266	1	1	1	1	1	1	5711	1	1	1	1	1	1	1	1	1	1	1	1	4882	1
928.5052@4.6202083	1	1	12199	1	1	43941	1	1	1	3533	1	4230	1	3618	1	1	1	1	1	1	4215	1	1	1	1	1	1	1	1	1	4540	4901	1	6876	2312	1	1
C13 H Cl3 N4 S5	1	1	198556	1	32865	260997	1	1	283492	232022	651551	5886	1	560135	1	14967	290578	473684	5430	256922	176429	1	142904	1	1	12650	1	381711	1	1	371395	803211	1	1	10695	37234	5266
495.759@4.6323915	1	1	11297	1	4294	12298	1	1	13181	11789	50802	1	1	43506	4250	6062	1	17105	4458	11784	1	1	8152	1	1	5614	1	16067	1	1	33011	60969	1	1	1	1	1
C15 H33 N O2	5512	1	12044	6234	8440	6027	6368	7913	7597	7395	5766	5300	6781	7602	8908	6087	7956	6880	6949	7577	5897	8408	7894	5609	8289	6738	6881	6531	7822	7132	1	5769	5339	6588	1	7443	5846
939.5864@4.6329303	1	1	22284	1	1	1	1	1	1	1	1	1	1	1	2851	5598	1	1	1	1	18593	1	12801	1	1	5367	1	1	1	1	1	1	1	1	1	6638	1
1069.7913@4.623	1	1	12481	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
425.2778@4.6306243	1	1	12516	1	1	1	1	1	1	1	13290	15252	1	1	1	1	1	1	1	1	1	1	1	6914	1	1	1	8956	1	1	1	8751	1	1	8600	1	1
C10 H Cl3 O9 S4	1	1	11621	1	6037	12560	1	1	14334	16892	1	1	1	1	1	6561	14495	19087	3764	12656	10174	5274	9336	1	1	6444	1	32190	1	1	1	1	1	1	8131	6980	1
C41 H68 O4	1	23776	66248	1	52083	40243	10837	1	46765	15548	22023	36408	29758	18959	1	16956	13697	6145	7797	24387	30290	17276	21378	40913	1	1	1	27579	21853	22022	28040	33299	24388	42725	13537	1	1
PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1	1	160310	5448	1	1	1	1	127413	5319	46813	10043	60285	12424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4719	35741	1	24826	1	1	1	1
931.5233@4.6229277	1	1	43459	1	1	37220	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
813.5317@4.697551	1	1	4119	1	8462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H10 Cl3 N2 O4 S5	1	1	75044	1	45965	49983	1	1	82084	48599	1	15266	20289	1	15267	37110	27542	71346	14520	116202	51022	1	49335	1	6981	39119	7602	1	1	1	69538	1	8070	10137	28702	17827	12450
1410.3015@4.632931	1	1	13084	1	1	1	4198	1	10670	7851	1	10804	1	9807	1	1	1	1	1	1	7879	6192	12336	1	1	1	1	1	1	1	8829	1	1	1	1	1	1
472.8312@4.6350217	1	1	10437	1	1	9740	1	1	11093	1	111964	1	1	93125	1	1	8851	11466	1	1	9818	1	8107	1	1	5929	1	90550	1	1	13274	140269	1	1	1	5696	1
1065.6354@4.6315637	1	1	9304	1	8280	5736	1	1	15204	4376	8534	7608	6456	1	1	1	1	1	1	12657	6764	4971	1	1	1	1	1	1	1	1	2467	10378	1	1	1	1	1
PI(20:3(5Z,8Z,11Z)/18:1(11Z))	23567	1	857189	189850	582747	679270	283632	33217	1015840	336796	434937	783015	711601	318448	54320	366275	264757	214418	90441	319320	636973	70730	343306	417037	78190	49478	20950	486327	320028	548601	450080	600114	556560	533072	376502	202255	200956
C41 H70 O4	19033	275609	547582	111311	398592	419852	178400	19701	627934	198958	223308	532592	467673	223209	28959	210623	213893	118434	67820	190215	380121	171959	286656	267705	47882	29768	17052	290569	216763	373256	251476	348038	352765	392843	220069	123182	118752
442.2977@4.637284	1	1	17898	1	1	16591	1	1	18566	1	1	19252	16145	1	1	1	9704	1	1	1	9594	1	11941	11894	1	1	1	1	7768	11973	12123	1	11255	13600	1	1	1
C37 H62 N6 O2	1	1	16265	1	1	13104	1	1	15448	1	8417	12252	9209	4164	1	1	1	1	1	6395	6890	1	1	9121	1	1	1	9488	1	1	10693	1	6515	10379	1	1	1
924.5117@4.635324	1	1	10560	1	1	5896	1	1	11058	1	1	9025	4754	1	1	1	1	1	1	1	5359	1	2212	3359	1	1	1	1	1	1	1	4381	1	3395	1	1	1
342.324@4.644935	1	1	3496	4777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5134	1	1	1	1	1	1	1	1	1	1	1
C36 H64 N6 O2	1	5720	12143	2648	1	7459	1	1	11338	1	1	8688	7204	1	1	1	1	1	1	3245	6083	1	1	6672	1	1	1	1	4215	1	4048	5583	1	10943	1	1	1
250.041@4.648856	10756	1	7639	4256	14108	1	1	1	1	1	1	1	10612	1	1	1	4165	1	1	1	1	10182	1	1	13056	14716	15096	1	1	1	1	1	1	1	1	1	1
872.5416@4.640345	1	1	26797	1	1	17665	1	1	6270	1	10862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1-Nitronaphthalene-5,6-oxide	1	8381	42182	8312	39126	96402	9340	1	89233	38297	147097	40910	30511	23455	13266	15872	39610	13247	6092	133868	13958	16416	6723	19614	1	61569	8989	72013	1	1	29335	16925	1	13453	5672	1	8986
305.1411@4.6619763	1	1	9010	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13061	1	14413	1	1	1
985.5488@4.6375675	7638	1	10670	1	1	1	1	1	7912	1	1	8209	1	1	1	1	26256	1	1	1	1	1	1	5415	18449	1	1	1	1	1	11847	1	6873	1	1	38252	1
C11 H25 Cl N2 O3	1	1	23798	1	34500	1	1	1	1	1	1	23128	1	1	1	1	1	1	1	1	5698	19264	1	4086	1	1	1	1	1	8696	1	14773	11714	1	1	1	1
443.3607@4.659133	1	1	9100	31099	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C39 H66 O4	1	49892	115564	16469	92920	89487	23629	1	127287	38663	56703	113294	77682	44248	5076	33786	32855	21228	14377	42006	70484	34617	44705	61561	8481	6460	1	73985	14998	56911	64377	88631	58612	68333	24441	17409	17339
PI(20:4(8Z,11Z,14Z,17Z)/16:0)	1	59590	186051	25261	139476	141383	23712	1	206645	61392	91707	161593	113866	48626	1	60140	54929	40612	24069	70366	132684	53649	80568	108820	8414	1	1	117642	72963	88600	116013	152385	93398	115229	44622	31510	28176
503.7648@4.6683497	2379	1	66890	1	1	1	1	1	1	1	1	1	1	1	1	105822	1	141362	1	1	1	1	1	1	1	189192	1	1	39897	1	1	1	63677	1	1	1	1
502.7701@4.662248	1	1	3682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10710	1	1	1	1	1	1	1	1	1	1	1
856.5076@4.72396	1	1	11032	1	1	1	1	1	1	1	1	1	1	17921	6215	12220	1	1	1	22986	1	1	1	1	1	1	1	1	1	12208	1	4935	1	1	1	1	1
269.0703@4.649795	4293	1	12151	1	5868	1	1	1	3101	1	1	1	5474	1	1	1	1	1	1	6314	1	2996	1	1	1	1	1	1	1	1	1	1	1	1	1	4794	21070
PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1	1	18567	1	14717	15622	1	1	18554	8350	10527	18548	13792	8720	1	7442	9196	1	1	8408	14209	6250	9156	11969	1	1	1	14068	10240	8908	13737	16254	12878	12456	4784	1	2780
C23 H48 N2 O	1	19731	37674	50176	23638	21179	1	1	61978	1	1	1	1	13946	26190	15457	1	1	44592	15432	1	15406	16216	1	29056	154576	21943	17155	59392	20815	1	1	1	1	10930	14534	15414
C16 H27 N O S + 4.6681876	11906	32250	43116	26319	28563	1	38658	27063	36477	42041	52539	24504	30905	29080	42377	46678	44697	49209	19277	44763	39749	44690	38442	38818	36099	42899	39336	31877	20910	44812	48822	32879	44392	38440	74781	1	1
596.4806@4.6685586	1	1	12050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7364	1	1	1	1	1
346.2608@4.6862397	1	1	2005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4768	2614	1	1	1	1	1	1	1	1	1	1	2293	1	1
811.5121@4.7286196	1	1	4573	1	32041	19703	1	1	28402	1	1	3473	13682	10971	1	3095	9938	1	1	11496	12362	1	1	13522	1	1	1	17952	1	1	1	13431	21793	1	1	1	1
904.5056@4.68221	1	1	9005	1	11860	6392	1	1	1	1	6253	6283	1	2937	1	1	1	1	1	6072	4058	1	1	20972	1	1	1	3625	1	8853	8697	9034	17717	1	1	1	1
C37 H66 N3 O3	9554	24624	55968	1	70297	40101	12763	1	49139	20766	39775	28588	1	23955	6413	1	19353	25338	1	32242	27038	17469	1	32533	1	1	1	22907	21739	16380	29832	1	21566	32858	16332	19627	1
314.293@4.7035832	1	1	3658	9758	4017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2444	1	1	7361	1	1	1	1594	1	1	1	1	1	1	1
1211.8682@4.7400875	1	1	16894	27234	1	1	1	1	31980	1	1	1	1	1	1	1	1	1	1	3068	1	1	1	1	14522	1	1	1	1	1994	1	1	3431	1	1	14785	1
C13 H33 N4 O S2 + 4.708239	1	16892	25095	21881	27284	18328	25377	23890	27092	28479	37875	24898	32701	19488	26320	30526	23394	31979	16063	30952	1	28151	27207	26648	21004	26831	29701	16045	17984	28807	32631	27798	27315	19485	51836	28073	18704
508.2808@4.704	1	1	6778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
614.448@4.7185655	225308	1	488685	878164	502563	600854	1	1	828274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	560144	1	642057	1	386889	318906	1	1	1	1	1	1	1
336.2662@4.7034535	2941	1	6042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
aminocaproic acid	53325	127330	194641	96067	79373	263955	127355	1	61926	1	166150	134879	142566	112481	79392	100293	60194	107085	116400	135281	79954	274972	136500	77925	1	58891	65925	1	1	104386	58978	95773	108493	107220	66379	83579	49861
PI(18:1(9Z)/18:2(9Z,12Z))	1	28845	86309	1	68254	52653	23541	1	65845	13784	45199	1	25869	58587	1	26233	1	1	8047	27076	1	28493	13021	1	1	1	1	16800	27756	1	15171	1	1	10251	18506	24992	1
340.3449@4.718578	1	1	7832	6480	1	1	1	1	7321	1	1	1	1	1	1	1	1	1	7329	1	1	1	1	1	3212	14918	1	1	3846	1	1	1	1	1	1	1	1
761.535@4.7138186	1	1	4856	1	1	1	1	1	1	1	1	2173	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	1	101065	61369	6788	94150	22265	1	1	62229	20483	1	21665	1	45479	1	41600	20037	11823	10424	48012	39617	39484	26917	52256	1	1	1	15603	14290	25449	36018	61669	14598	72858	30458	24695	9503
791.4842@4.726716	1	9405	8018	1	3479	8760	1	1	12089	7231	1	7945	1	1	1	1	1	1	1	1	5608	1	1	4534	1	1	1	1	1	1	6354	9452	9154	6873	5095	1	1
C34 H72 N3 O3 S	20489	50597	98857	28668	162507	101966	50258	10735	109937	45948	109291	34027	45933	44919	16489	35863	40300	66518	28518	81215	40793	37968	28186	42946	11489	11176	12778	52715	39596	40750	59512	54226	28974	45870	33904	39431	20970
863.5594@4.7235403	1	1	17524	1	26947	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C38 H79 N6 S4	1	107470	198019	1	95125	152936	15727	1	180541	89998	53581	113947	62141	62759	1	23367	26989	7868	9982	37258	88289	29494	62339	91109	1	1	1	106534	39566	17475	113019	144779	107478	83465	80029	21700	7849
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	4259	60804	112885	1	66586	102591	10202	6152	109552	52941	28086	54483	37504	29130	1	15953	26436	14095	1	20100	41452	22930	42013	43337	1	1	1	67913	19136	3654	61273	90932	56751	58682	38601	14197	1
298.2979@4.739278	1	1	27719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9311	1	1	1
301.2258@4.7452726	1	1	12763	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5909	1	1	1	1	1	1	1	1
275.1096@4.732712	1	10045	6585	1	1	8200	1	1	13624	11766	1	11404	11735	1	1	1	5709	1	1	1	1	1	1	1	1	1	1	1	1	1	5104	1	1	1	1	1	1
PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	1	134825	126259	1	96141	1	1	1	171696	115262	64480	1	47204	26796	1	1	20679	1	1	108151	63428	21138	67253	76099	1	1	1	86089	35269	28343	107615	141549	136261	275034	1	1	1
572.4793@4.742	1	1	1980	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z))	1	6796	14102	1	13132	8020	1	1	14380	4947	10543	5280	1	1	1	1	4955	9761	1	1	1	1	1	1	1	1	1	8354	1	11501	7950	8680	5851	1	1	4570	1
600.9342@4.7502856	89602	1	193680	358410	125418	197293	1	1	374890	1	97067	133174	87461	1	1	1	1	1	1	1	1	133635	1	1	253810	1	224004	1	182146	104358	106353	1	1	1	1	1	1
1183.835@4.750723	6462	1	11964	23430	8600	9775	1	1	28976	1	4523	1	1	1	1	5960	1	1	1	1	1	1	1	1	14367	1	9080	4725	7395	6868	5745	1	1	1	1	6125	1
PI(18:1(11Z)/16:1(9Z))	1	33895	65724	17665	107464	67900	25086	1	79392	32069	76503	27541	42262	12206	1	12017	30948	53401	9628	29996	31740	32421	32164	24308	1	5574	1	38137	29613	48879	48293	44478	27649	36758	1	15905	1
C22 H31 N O S	23996	42775	48571	28193	47459	41133	42579	24191	45437	39551	47804	57142	54485	32388	18266	50786	23869	30637	24852	32720	23295	34363	37365	41947	24707	30507	28075	36538	31222	32761	40986	39856	28110	25923	34848	30215	25494
C37 H67 Cl N2	1	33414	78939	21197	105854	68555	28877	1	87651	33047	71488	39341	40933	34223	13481	27465	33720	47168	20054	48013	32584	31900	26967	32545	10593	10269	1	38586	28490	54202	43132	44794	24756	33715	14425	18992	16681
ZK 168281	1	12871	9547	1	1	11449	1	1	3577	10430	14213	1	8896	1	1	1	1	3207	1	1	1	16301	1	1	1	12764	36128	6321	1	1	3765	4523	5909	1	7061	8611	2085
795.5099@4.7435217	1	1	8650	1	1	5897	4743	1	1	1	1	1	1	1	1	1	1	1	1	2605	1	1	6275	1	1	1	1	1	1	1	1	1	1	7329	1	1	1
C43 H69 N3 O6	1	39459	59956	1	31596	53179	1	1	49351	32164	24196	21621	18856	19337	1	1	1	1	1	1	27254	1	13595	36799	1	1	1	39869	15618	4986	30564	42724	28745	18684	30819	10867	1
751.5493@4.7633433	1	1	25851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21612	1	1	1	1	1	1	1	1	1
C23 H35 N3 O2	1	16181	101069	1	1	45579	1	1	64428	1	20602	54731	10371	3069	1	1	2162	1	1	9739	33798	1	19796	23438	1	1	1	26766	11189	1	26076	25232	22585	1	1	1	1
837.5481@4.758	1	1	6105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
877.6309@4.763811	1	1	4924	1	1	1	1	1	1	1	1	5725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H43 N8 O7	1	57284	54443	380190	176408	37934	77434	1	94388	40269	65603	50844	94731	123537	62958	47689	80359	81357	38766	59266	34306	251772	393923	29577	55315	118609	100354	42873	30516	36766	57990	80530	30052	24814	38836	65648	56091
829.5097@4.762	1	1	4387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
203.0584@4.7667303	1	1	32756	1	1	1	1	1	39138	13489	25227	34705	32322	1	1	1	1	1	1	1	23620	1	1	16614	1	1	1	1	1	1	13818	1	1	14245	1	1	1
442.2981@4.767613	1	11958	12022	1	1	1	1	1	15836	1	1	1	1	1	1	1	1	1	1	7872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
849.5982@4.7679424	1	1	38404	1	10129	15626	1	1	28886	1	1	48721	1	1	1	1	1	1	1	1	1	1	1	6215	1	1	1	6973	1	1	6006	1	1	8232	1	1	1
C16 H34 N2 O2	17463	15251	42041	39903	36373	48401	1	16133	35514	7359	15929	23291	25454	21621	10398	22008	19400	5835	13669	7111	14314	19016	21140	17761	16409	28429	37720	24662	21515	36320	26917	14661	13485	14607	13248	21104	8964
PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	1	121225	273224	11925	1	162259	38531	1	252432	1	88417	526936	109975	73943	1	39839	42383	9364	7297	1	85529	54451	122912	65466	16918	1	1	113096	54625	49512	117909	1	1	1	39302	26707	19461
312.3138@4.7630196	1	4393	30780	10883	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3799	1	1	1	1	1	1	1	9674	1	1786	1
PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	1	23420	37416	1	15199	31619	7778	1	36942	24277	19890	47556	21805	15567	1	8668	8208	1	1	10171	22633	12475	24461	22197	1	1	1	26968	18054	8801	28912	20682	25727	34582	11199	7641	4294
492.2858@4.770938	3057	1	7277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	9590	553186	927703	39194	325486	712870	140307	4133	1034516	344269	400508	1287914	344643	250458	18038	124583	156814	58330	41104	310721	355841	182862	361696	447543	53033	9537	1	512171	275617	104100	518987	364404	387191	594968	113629	114407	70008
824.5853@4.781838	1	11664	3779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
821.5681@4.776864	1	101917	42203	1	17277	36999	1	1	74361	6725	8413	87377	6101	1	1	1	1	1	1	11460	8292	1	7758	19783	1	1	1	20359	1	1	18012	13144	1	20175	1	1	1
510.2973@4.7795525	1	1	5710	1	5290	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tryptophan	213399	15607	61519	32020	98448	9406	1	1	11021	9876	32003	17625	41172	12236	48951	10778	27049	1	1	11489	50726	71418	1	1	30019	324912	454482	1	1	26820	15844	1	12882	9323	1	1	1
PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))	1	139726	111223	5574	107101	180260	35205	1	196807	90520	68925	94800	81892	79642	1	39058	64901	1	11102	76817	72457	49981	35483	92380	7461	1	1	107900	63977	1	116266	135378	101853	96296	84171	28831	1
616.4542@4.7221775	1	1	2784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1654	1	1	1	1	1	1	1
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))	1	92825	152460	1	143582	128912	36198	1	182163	90294	74051	56194	75669	65421	1	39552	53467	12055	1	69796	49043	39443	45282	68729	6081	1	1	109086	34515	1912	82410	110066	83265	87627	90708	38803	10449
825.5979@4.7903085	1	32515	16094	1	1	10298	1	1	20474	1	1	27025	1	1	1	1	1	1	1	1	1	1	1	2157	1	1	1	4150	1	1	3701	1	1	3536	1	1	1
PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	1	28446	47290	1	1	40677	1	1	1	26003	1	30570	1	1	1	1	1	1	1	1	24042	1	1	28262	1	1	1	42885	1	1	23508	1	1	40124	14201	1	1
C11 H7 N O2 S	96599	16908	86591	82736	604044	32976	48259	12986	36491	10245	156615	80912	103521	48619	62478	66539	62508	1	12383	17956	46188	130992	75413	16471	142547	119809	95714	14042	49753	18300	33211	36693	20368	50127	19295	38965	15761
C46 H65 N4 O4	1	26851	37033	1	18144	24961	1	1	36791	13157	16058	23502	6665	1	1	1	1	1	1	13549	11746	7945	9127	19634	1	1	1	21183	7879	1	17600	1	8309	19895	1	1	1
5-Methoxytryptophan	1	1	39653	1	1	16540	1	1	1	14975	32164	39165	1	13110	1	1	11604	1	1	5608	1	1	1	19210	1	1	1	12221	1	1	1	23798	1	13022	7614	1	1
244.0858@4.792	1	1	10358	1	1	1	1	1	1	1	1	1	1	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-Gingerol	1	1	8210	1	7860	7086	1	1	11428	4892	8768	9640	6015	3606	1	1	1	1	1	4674	1	6251	1	1	1	1	1	1	1	1	5079	1	1	1	1	1	1
PE(20:2(11Z,14Z)/18:2(9Z,12Z))	1	253456	345386	22351	180865	217882	107070	8891	335314	111519	187849	435581	133865	102167	1	67531	80085	39389	27073	122490	140157	69998	124649	123467	23518	1	1	151449	116672	82841	143883	115820	136503	174930	120559	82249	40350
C39 H83 N2 S5	1	149962	186086	12909	114849	155488	45810	1	211883	84395	141922	170394	81762	70599	1	42767	52322	28242	18591	103493	80484	51466	69741	96530	11191	1	1	107438	85288	34371	106891	71263	87482	99383	37243	45912	23574
508.2802@4.801164	10911	1	29509	1	12538	1	8950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9806	1	1	1	1	1
751.5496@4.806259	1	1	42440	1	62200	1	1	1	1	1	1	1	1	7915	1	1	1	1	1	1	1	1	1	1	1	1	1	26738	1	1	1	1	1	22007	1	16661	1
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	1	7421	14303	1	6524	10939	1	1	16745	7386	9165	12913	5488	1	1	1	1	1	1	7280	8430	1	4512	11859	1	1	1	1	5474	1	10217	1	7477	11354	1	1	1
472.2609@4.803	1	1	3753	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
270.2668@4.80989	1	1	15690	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7555	1	1	1	1906	1	1	1	1	1	1	1	1	1	1
811.5102@4.78124	1	17061	22512	6670	10478	15875	11321	1	13489	1	1	23028	1	9109	1	6618	7036	10817	3025	8174	11359	26460	18905	11663	6855	12295	10599	9908	1	7721	1	6147	10832	13557	10490	4258	1
C10 H23 N O + 4.8089213	1	8877	14120	9283	8660	1	1	1	9707	1	10366	10619	13090	8367	1	9270	1	7803	10637	7394	7330	9498	1	9617	1	1	11022	1	5923	8761	7597	6586	7400	6833	10544	1	1
C39 H77 N6 S3	1	16347	29120	1	24235	24116	1	1	22666	13740	1	7230	1	14033	1	5413	1	6281	1	8111	1	1	7232	12658	1	1	1	15286	8427	1	20752	17855	7612	12527	1	1	1
C19 H38 N2 O3	6943	25408	49662	46172	56770	43285	30859	33847	40337	42054	36384	58906	36389	37328	34647	36170	28014	28110	45423	35048	44295	28837	50282	37780	39198	46737	28762	29824	35345	47822	37642	35341	29811	24933	45550	36012	29850
805.5967@4.816791	1	1	17426	1	1	19629	1	1	1	15612	7046	11852	1	1	1	1	1	1	1	9962	1	1	9203	1	1	1	1	18060	1	1	1	1	11209	1	10496	1	1
C11 H23 N O3	1	10893	11733	8766	1	1	11126	7379	10720	8304	12605	11329	10257	5791	1	10580	7627	8882	5550	9050	7057	8530	1	9329	6878	9145	1	7723	9710	1	1	10872	1	1	7829	1	7585
Deoxyvasicinone	10368	1	18970	17148	17048	1	8468	1	13328	1	29569	10560	19719	9626	1	7786	8883	1	1	6754	8101	25093	8388	11399	1	9035	1	1	9118	1	6282	10365	11124	12769	1	1	1
C10 H8 Cl N O	1	56391	119528	9701	28668	41752	1	1	104212	39693	89300	98326	111135	27339	1	1	22293	1	1	22369	72912	66501	21123	27949	1	1	1	25335	20572	1	41439	46649	60867	33409	15039	1	1
C9 H21 N O3	161418	204973	257417	151825	189688	122071	115722	84428	438444	247120	533417	252339	691586	148845	293637	91775	119484	100056	103813	162038	154987	275034	92367	119934	103769	111729	113788	442724	56011	126010	121919	326390	39056	78551	56356	46055	49206
381.2526@4.7965508	1	3472	5428	1	1	1	1	1	1	1	3217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.2568@4.8128476	1	7753	21968	1	1	7107	1	1	11215	1	5982	6415	1	1	1	1	1	1	1	1	4960	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
319.2355@4.8284235	1	19028	3667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2645	1	1	1	1	1	1	1	1	1	1	3401	1	1	1	1
699.5214@4.839569	1	1	13248	1	1	1	1	1	14297	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7172	6257	1	1	1	1	1
PE(20:3(8Z,11Z,14Z)/P-18:0)	1	1	35924	1	61009	51311	1	1	51812	34134	33468	1	1	20434	1	12564	21533	6382	1	25222	18715	13623	14670	1	1	1	1	28780	1	6202	25832	29901	21218	19744	46125	17996	1
284.2825@4.848847	2746	17741	44086	27978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22802	1	1	16696	1	1	1	1	1	1	1	26919	1	1	1
C29 H63 N19 O4	12143	96686	82403	4724	82067	88281	38025	8427	116626	70952	111253	71158	29108	45972	1	23595	38125	42604	23971	75237	32727	25669	35587	54840	8810	6028	1	55091	42151	23806	60540	28330	29584	56966	50364	69192	12887
C20 H13 O22 S	1	1	438843	563071	361280	403631	1	1	557142	320203	330028	272481	301859	317775	1	303200	1	1	307829	309046	1	1	283134	337717	392447	335472	430361	323539	360713	292897	346703	317591	1	310744	288170	330524	1
C22 H50 N23	1	750611	763054	1030778	581579	602631	1	595079	912703	1	1	597774	600821	1	1	590300	492912	1	543401	542577	536536	1	585036	1	693594	521809	713529	554211	618538	535426	540279	547017	1	516124	547070	655814	1
749.4602@4.8883696	1	1	2537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H55 N23	1	1	9728	1	6769	7360	1	1	11725	4484	6645	7219	1	1	1	1	1	1	1	5039	1	1	1	5627	1	1	1	1	1	1	4929	1	1	9551	1	1	1
N2-Acetyl-L-ornithine	177910	1	32242	116058	850987	25639	333163	437941	1	23439	306457	1	113399	180250	511567	243117	230984	285620	165578	142453	1	542845	164889	1	501059	420907	640662	16635	56994	1	21357	1	1	41375	1	225606	161489
727.5553@4.854031	1	1	17112	1	22583	17711	1	1	18183	1	12285	1	1	1	1	1	1	1	1	1	4360	1	1	1	1	1	1	1	1	1	7441	1	1	1	4879	1	1
C18 H36 N2 O3	1	8829	21868	14759	15794	17377	11170	18341	15972	12724	16981	22864	14417	10053	11185	12650	11235	12133	13791	11984	13614	11378	14325	13845	11806	17730	8944	13685	12306	17828	16046	13585	10118	7961	18432	13292	9109
C13 H27 N4 O3	1	1	21668	74448	19061	15379	12635	1	19548	13761	22464	18924	15404	13319	15692	12870	13089	1	14170	15754	11830	17040	13664	14350	14717	19089	14293	12538	1	17631	15878	13172	11546	12885	12975	1	10242
C44 H75 O3 S2	1	122920	141431	15469	144003	125886	53853	1	173015	84686	130410	178590	45374	62869	19650	42823	49078	76340	28771	80957	43785	51875	62761	56204	19222	18329	8526	65323	40846	43083	92669	51222	42552	74428	28213	43390	31354
C22 H54 N16 O5	1	336717	430802	622803	378092	419627	289785	316840	645921	287848	327371	301617	1	279637	1	280809	227510	305768	260632	1	277017	298422	261588	281395	411159	260304	399060	288082	361076	259333	335404	284773	1	1	235299	282977	257035
C19 H11 O22 S	1	214844	224512	356520	206074	227285	151172	1	397947	163080	178813	177893	191032	1	1	163375	165867	158073	163229	1	148793	182819	172330	173895	247086	182480	228876	166198	217038	22137	177770	1	135010	157066	1	190517	158192
C38 H75 N6 O6 S	1	168421	168549	1	174808	165584	99786	33836	246231	108027	187211	172086	56031	95851	1	47949	74324	96104	51192	140699	52426	47312	87377	63468	22908	18736	7179	82247	44130	30383	104787	58328	42640	91473	94123	151190	33221
787.511@4.8707356	1	28919	13038	1	1	13560	1	1	19856	1	18014	1	1	1	1	1	1	7483	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8355	1	1	1
C39 H77 N2 O5 S2	7607	15451	29952	1	1	1	1	1	28792	1	22100	1	1	1	1	1	1	1	5278	18384	1	9311	1	8770	1	1	1	12692	1	1	1	1	1	1	1	1	1
C17 H37 N S2	10213	1	27811	7806	22058	14040	21326	11790	11765	17406	22833	1	10783	25653	22848	11271	11483	16234	10314	21822	11719	15794	11081	1	12836	13722	11873	1	8197	10740	1	8633	16710	7674	1	13955	14422
C18 H35 N O S2	1	19803	48135	1	30082	24630	36061	19509	19027	27246	37424	21251	15830	17747	31182	1	20219	29178	16294	26216	20605	22146	9643	17652	24352	29727	1	15530	16864	22962	1	14688	32243	17226	10062	1	22153
C15 H27 N8 O	1	9006	11198	3100	12021	8072	11034	6946	7471	6729	17930	4833	1	1	9998	1	6191	8195	1	15082	4251	1	1	1	5389	1	1	1	1	7284	1	4797	9091	4383	1	1	5848
Harmalol + 4.906716	1	143834	299352	26285	46569	73717	29962	1	123875	52209	262508	134285	112307	57951	1	61314	106571	1	1	179682	8549	134119	28024	95824	121263	1	1	37070	61845	1	44114	18670	102652	47412	1	6897	11025
442.2395@4.913	1	1	6120	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
674.4116@4.935326	32576	1	98851	1	32186	83142	1	88221	1	90879	1	84131	1	1	1	81888	1	75467	1	1	1	1	98481	1	88951	1	87845	1	1	15443	1	24493	1	1	1	89982	1
3-Methyl-quinolin-2-ol	1	1033186	1385547	126376	243571	526997	72110	1	1204998	531416	1292137	1090219	1478506	403188	1	200256	372907	1	1	538495	897487	1674062	251732	420765	19814	1	1	341559	318892	24577	468468	786605	782016	411274	288824	197824	31089
748.958@4.9282265	1	1	9463	1	1	1	1	1	1	1	11058	1	1	1	1	9246	7874	1	1	1	1	10162	1	1	9410	1	1	1	1	1	25990	1	1	1	1	8226	1
350.1738@4.9300766	1	1	14679	1	1	1	1	1	11615	3850	1	10983	17123	1	1	1	1	1	1	1	8783	15486	1	1	1	1	1	1	1	1	1	7501	1	1	1	1	1
203.0582@4.9301934	1	28805	37833	1	1	1	1	1	1	1	34715	1	48541	1	1	1	1	1	1	1	1	55980	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
190.0744@4.932763	1	1	35892	1	1	1	1	1	40247	1	48510	40306	57273	1	1	1	1	1	1	1	24502	61938	1	18910	1	1	1	1	1	1	1	27271	26681	1	1	1	1
264.0749@4.9342265	1	13846	16218	1	1	1	1	1	13070	1	15952	11979	18257	1	1	1	1	1	1	1	10386	25909	1	1	1	1	1	1	1	1	1	10605	9939	4139	1	2349	1
240.0511@4.9305053	1	1	10011	1	1	1	1	1	1	1	12683	12260	16834	1	1	1	1	1	1	1	10819	18289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
161.1212@4.941	1	1	31434	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H34 Cl N2 O4	14701	16020	14723	13862	15782	9782	15916	9536	21207	17415	17950	17179	17361	12987	10044	15370	1	9493	11687	10659	10482	15620	18329	12351	1	10711	10962	1	9296	11331	17840	14726	12414	6156	13118	10675	1
611.406@4.942857	1	1	16985	1	1	1	7025	1	1	1	11087	1	1	1	13688	24457	17194	1	19372	10100	1	1	1	1	1	1	11157	1	10763	6804	1	1	1	1	10753	1	1
C17 H34 N2 O3	1	7323	14914	12383	13924	10062	14049	10937	11605	10904	1	13945	12405	8355	6800	9801	9237	7799	11287	1	10638	6986	10450	9739	10761	12415	9219	6162	10425	13838	13757	1	7264	5330	10813	10339	6380
C31 H62 N8 O7	236994	782935	814462	990059	692508	696444	580403	567275	963299	1	630766	627244	641241	584325	530457	589682	551363	535125	527319	462385	1	575435	603271	595633	712466	587110	735634	580621	650971	260626	618023	597534	535499	538127	575473	653800	553141
C21 H11 N2 O23	98910	513609	469763	592414	412587	456091	363973	327753	514416	1	354004	365835	356773	326651	1	339361	322001	305480	314422	330727	316519	336082	354160	1	444235	363562	467973	350562	380601	288483	377313	313279	316737	251959	326236	360468	324516
C6 H14 N O9	1	1	108871	72196	233132	232447	121725	24814	62895	117542	234612	39721	76720	62247	48806	69165	45145	120165	45845	145043	98083	240409	77374	1	61849	88796	131542	82919	30222	17913	144878	72299	30209	60254	142619	34207	41279
345.2153@4.971185	1	1	28368	1	23788	18114	19202	12880	12166	13388	23188	16254	10862	18007	19149	1	11222	17313	8650	23747	14712	15240	1	1	11372	16719	12210	1	1	15874	1	11678	22156	10083	1	16049	15640
678.9873@4.979417	1	1	16771	23027	1	15415	1	1	20100	1	1	5227	6514	5191	1	1	8139	1	1	1	2527	7460	1	1	14166	1	1	1	14125	1	1	1	1	10796	1	10746	1
188.0951@4.982075	1	25643	46478	1	21176	17581	1	1	54656	19301	56259	37015	48785	15164	1	11192	14906	1	1	13074	36200	71705	14701	24042	1	1	1	10954	11664	1	32322	30280	28093	17963	1	1	1
240.1265@4.983554	1	16179	19976	1	1	1	1	1	13118	1	17908	15610	20012	1	1	1	1	1	1	11475	8881	12912	1	8618	1	1	1	9113	14888	1	1	8058	9172	1	1	1	1
300.2413@4.9860396	1	1	3685	3593	1	3496	1	5974	3781	1	3560	1	1	3108	1	2888	1	1	3132	1	3232	1	1	1	1	1	1	1	1	1	1	1	2291	1	3413	1	1
305.1838@4.9834924	6294	13689	14199	1	17032	7203	14917	8015	1	10742	12623	1	1	10517	15886	1	7014	1	1	15518	12615	9138	1	1	13743	1	1	1	1	1	1	1	14294	1	1	1	8778
C9 H21 N O3 + 5.001351	46192	56632	56731	39396	43465	27376	31680	20661	79073	54976	95012	45794	121992	34503	68927	24867	27519	26392	27070	46282	33152	63890	1	32962	28518	26818	25997	79262	15838	28909	26968	73469	14760	16919	15881	14760	17231
C31 H66 N O12	221868	297575	405489	667358	348529	388514	303163	260528	618693	276730	293264	309052	286648	302965	249916	311878	290587	306743	223064	263707	274499	318635	333613	268094	393101	326447	376455	300336	364997	316240	1	285465	271212	255373	309622	345088	297646
C20 H9 N2 O23	173482	264446	211213	384868	224832	245763	186509	186705	377856	175174	196403	201912	202437	179951	161573	184390	162743	187149	172783	162408	172436	190834	183713	187630	275628	199974	219238	181096	196859	159009	201902	169589	173010	170985	173857	211905	180137
C15 H33 N S2	15435	24402	27768	16099	27325	23765	32937	16566	16353	17676	31375	22495	16014	20155	28833	15470	20826	20691	17029	28515	20673	1	10713	14590	21290	17883	18171	13408	12664	19642	15599	17825	18629	16194	11898	18326	14759
664.9712@5.0009155	1	4330	7134	12588	5437	1	1	1	14110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9833	1	1	1	1	1	1	1	1	1	1	1	1
C10 H23 N O + 5.0181203	1	7983	10318	9351	8534	8727	8823	7137	9846	8226	1	12235	14308	5398	7946	10136	1	7536	10383	8937	1	11856	9177	10145	8180	10477	9699	1	1	10360	9316	1	5284	7382	10598	7181	7997
C23 H47 N8 O8	1	43838	40253	242125	138162	1	59680	1	64112	1	44399	35320	68145	97159	47225	1	60115	58254	1	40622	24822	186685	214391	1	38554	86637	70917	32055	1	1	40244	62036	1	1	1	50846	38313
770.9707@5.015635	7816	1	5453	1	1	4644	1	12104	1	5967	1	1	11163	1	1	1	1	1	7574	1	1	1	1	1	1	4800	5907	1	3421	3163	5204	1	1	1	1	1	1
667.9754@5.043169	1	1	3982	1	1	1	1	1	1	1	1	1	1	1	1	4307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
199.1322@5.0518208	25487	31178	131868	1	76088	1	99663	43531	50420	28446	1	69121	51846	1	25324	1	1	31037	1	51654	33579	110071	44447	50339	33627	48463	52121	33423	63185	1	1	57890	1	55223	1	35147	48022
Hypoglycin	1	45530	155016	1	95940	1	117026	53804	56442	1	57441	82360	63743	1	44682	1	31555	1	1	1	1	127129	1	1	1	1	55347	1	1	1	1	66295	39326	52526	58386	44074	1
N-dodecanoyl-L-Homoserine lactone	1	1	10044	1	6157	3521	3632	1	4328	5335	1	1	5538	4310	1	3608	1	3198	5219	4109	3762	4290	5343	3882	1	5220	4939	3149	3295	6558	6429	3940	3547	1	1	1	1
623.3822@5.054364	1	1	5016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3578	1	1	1	1	1	1	1
C22 H17 O23 S	333711	527296	500015	600193	442799	446201	388124	374533	599644	375397	384344	380077	401580	354995	323330	390153	362023	365572	361582	362406	354186	360090	407196	315709	453750	353542	462797	374918	407753	14202	405289	357812	286107	356445	380496	388846	340572
1343.9457@5.070957	1	1	3721	1	1	1	1	1	7745	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H54 N23 O	510192	818544	751486	995164	658243	707760	585224	560567	877037	562588	609269	578072	542623	542300	499093	585930	525292	521288	533493	541417	534996	557149	581917	563420	672790	564855	685629	559674	600920	562671	599079	550806	542068	553711	566788	608579	530849
321.2148@5.076749	1	1	8044	1	7900	5168	1	1	1	5711	7181	1	1	5817	1	1	1	6934	1	10890	1	6732	1	1	6304	1	1	1	1	6771	1	1	1	1	1	1	5134
C14 H29 N O5	84277	136834	154925	84421	172816	131143	167321	113261	100881	102859	170653	108514	96583	128970	172127	80492	111713	107435	88127	183647	121167	158607	60362	83639	119102	115957	102729	73716	82833	120682	63776	103303	119342	94920	61827	107015	96936
228.09@5.0904455	1	1	10699	18547	24676	5885	9742	1	1	1	17207	7815	48321	10515	1	1	18042	1	1	1	1	73377	9051	1	12256	13187	16017	4701	6275	1	1	1	1	1	1	1	1
622.3806@5.0934644	11763	1	59168	67788	70569	1	70374	18091	72269	66944	1	69760	1	35509	60263	1	1	58999	47719	1	4576	63791	1	9901	65360	54367	1	66166	1	1	62121	49101	59984	63098	55351	65617	57745
C21 H15 O23 S	148545	261523	251332	394365	216829	237775	183487	188379	356118	179935	185433	198003	188094	188353	165680	177422	186966	188678	158097	186888	175580	198907	192484	201932	258232	202828	237064	190001	217768	162579	197153	183174	169319	173569	176362	210456	165808
C23 H52 N23 O	290231	418340	386001	605618	343814	388441	279368	273637	530565	285898	298279	302013	296830	279265	260745	289821	288994	283679	287308	273863	261563	312435	305350	305105	380655	300434	393205	283173	373763	323302	310526	285318	267228	299352	282759	312425	276154
686.9838@5.093093	1	1	7135	12023	6702	4378	1802	1	12933	1	4233	1	1	1	1	1	1	1	1	1	1	3171	1	1	1	1	7789	1	1	1	1	1	1	1	7832	1	1
C29 H53 N17 O5	24728	79776	65307	59497	60073	1	51685	37668	47022	45477	50447	1	1	1	45917	52338	39546	41638	54495	51912	45805	57037	1	1	55788	49961	50932	1	48214	18070	50795	49609	49426	42371	50246	1	1
85.0891@5.156	1	1	15861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H60 N15 O3	454330	741681	703193	907657	597094	643589	516248	519271	778125	502720	526034	526920	542426	499314	477051	516348	491777	459675	477635	474919	454554	532030	512309	523995	614910	529087	651886	494320	560069	262571	526477	487640	466946	483599	498081	547726	449450
814.4953@5.167065	1	6733	4262	1	1	1	6438	7064	1	1	1998	1	1	1	1	1	1	1	1	1	1	1	1	4589	1	1	1	1	1	1	1	1	1	1	4946	1	1
C23 H15 N2 O24	334672	502018	462269	623861	372956	415415	324648	337168	501883	337109	349187	354471	363457	332514	283265	342955	307345	312606	310880	305640	303095	322859	336046	325174	400096	343259	409995	318655	369132	314162	344972	314644	293071	307903	317467	351476	287550
133.1101@5.177	1	1	3075499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H58 N15 O3	288921	302375	337604	513830	306247	314820	190818	250342	484702	238899	269854	271428	272813	259718	219930	258873	227060	238799	237604	249551	243455	259411	273313	261753	331704	273894	317121	240302	294745	243467	279619	246677	181892	253253	243132	279543	221861
C22 H13 N2 O24	83225	212061	222034	336927	200366	205238	160846	166444	292334	157988	175076	168861	178726	165510	154506	168838	153273	160806	152421	150606	156398	169198	173726	170426	237683	176778	207088	159327	197415	150362	169392	158869	154581	162513	147436	177069	143581
C11 H24 Cl N3	1	1	10969	1	10535	14200	13425	7578	1	1	12554	12043	13156	7735	10240	1	7970	1	9130	15027	9554	16252	1	1	10100	9351	1	1	6506	7905	8311	8863	1	7555	8338	6864	7922
814.495@5.196	1	1	1903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
173.1781@5.1770782	1	1	10868	1	1	1	1	5211	1	1	14528	12318	16436	1	1	6491	1	1	10165	1	1	1	1	1	1	1	1	1	1	6793	7140	1	3445	1	1	1	5431
C25 H51 N8 O9	1	38535	33378	153993	114765	1	47580	1	38189	1	40338	29457	51062	70531	32666	33024	42112	50281	23045	30771	1	135843	111063	1	33216	67119	51310	25379	1	1	39330	48683	1	1	1	37398	33012
740.9528@5.207037	1	1	15574	10054	1	1	1	1	16735	21047	1	20575	1	1	1	1	1	16396	18571	1	1	1	1	1	1	19661	1	1	1	5636	20174	1	1	1	17244	1	1
11-amino-undecanoic acid + 5.2308316	14734	34224	26306	17712	36431	23862	40521	23691	22390	28189	33487	22073	19273	26056	36875	14130	21805	28900	17069	43575	25400	29756	12872	18643	24674	19426	20606	11179	13133	24054	15185	15666	30501	19839	1	24542	22368
Compound III(S)	14232	47496	18185	1	1	1	34196	18059	34784	20502	30706	25282	29305	23393	29407	29367	1	19012	1	30684	1	1	24936	1	31683	25010	1	1	8229	1	1	10396	22862	1	1	1	27398
C26 H58 N23 O2	457787	608643	569091	777862	473677	505983	403096	416372	641489	410320	436715	428701	444665	398094	373461	416074	384895	363551	381880	386980	379249	419033	407087	403902	485607	427461	517666	392797	461958	287419	428232	407165	380689	383991	383604	457006	367434
C25 H17 N4 O20 S	278031	396877	383646	503922	322938	342951	259371	276344	421797	272675	282489	290946	301784	268677	255924	273567	249321	251171	256188	242226	235235	271936	262377	271573	323960	275979	354440	268496	285041	176178	282160	255665	249710	247145	243671	300376	248337
745.0262@5.253679	1	1	3995	15598	1	5563	1	1	13149	1	1	5796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5952	1	1	1	1	1	1	1	1
C25 H56 N23 O2	152056	292505	281405	427009	238142	257234	200538	204923	386921	190984	207386	205003	206628	206339	191742	201069	192477	197748	180557	189981	185734	195310	205233	198838	262207	212471	254989	198156	234689	211929	217193	194659	178915	193631	180884	226931	192125
C23 H19 O24 S	137065	199034	182613	292938	163465	171525	129637	129887	250091	117188	135511	137714	144012	136703	120221	132234	119783	134101	124090	130902	124580	136030	131105	134341	170333	138828	167196	128991	152182	126561	134402	114792	113275	131053	120350	137554	116815
877.5615@5.267594	1	25952	24889	1	1	22083	1	1	23495	10551	1	11586	1	1	1	1	1	1	1	9951	11303	1	7659	1	1	1	1	12941	1	1	16220	25174	13449	17674	1	1	1
666.9085@5.2892838	1	27344	19801	1	1	1	17225	1	1	1	1	16126	1	1	1	15439	1	1	19790	11838	1	17501	1	1	1	1	1	1	18495	1	1	1	1	5929	10043	1	1
273.1784@5.2903056	1	1	7300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9830	1	1	19470	1	1	1	1	1	1	1	1	1	1	1	1	1
762.4648@5.2920604	7349	1	18744	14494	1	1	18766	1	1	3092	1	15591	1	6568	1	15910	9205	17804	1	1	1	9029	1	1	1	17602	1	1	1	1	15205	17980	12788	10114	7022	1	1
851.5456@5.2919173	1	19417	13381	1	1	1	1	1	1	8506	1	4152	1	1	1	1	1	1	1	4188	1	1	1	5042	1	1	1	9416	1	1	8640	1	1	1	1	1	1
853.5618@5.296188	1	208612	136486	1	1	137272	1	1	172265	69401	52673	81134	45021	40155	1	1	31178	1	1	97869	70810	23117	51938	63080	1	1	1	92388	49543	1	129777	182130	109870	153164	159165	35443	1
891.5897@5.31	1	1	2782	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
503.6948@5.332616	1	44166	41328	64732	31940	42443	30609	33140	45922	30042	29809	28793	35258	28662	1	30334	29482	1	28303	29350	19529	30381	30005	33012	39380	1	41627	29227	35378	2326	30773	29630	27387	1	29567	34009	1
C16 H41 N17 O2	1	52826	50240	74377	38076	48740	37623	39370	56719	38946	38797	35512	41943	35671	36959	1	39353	1	39839	1	33461	38315	1	43015	49537	43187	47978	37695	44311	1	38970	1	1	34662	35918	1	1
C34 H64 N15 O4	333860	409014	366627	559358	322690	352453	278444	273892	448091	280812	294077	284724	300238	276063	256974	285756	261129	248468	274567	262256	249387	299318	281056	286015	333908	286238	379203	276896	322287	320518	298200	273402	262442	264835	259380	317673	257858
C25 H19 N2 O25	216582	262892	255297	371937	225241	235406	180985	197316	286441	184456	191084	196521	196732	183204	177819	187739	183212	165200	178020	167163	174123	191894	186456	196101	232493	202046	238953	182573	209564	196734	196771	177798	175082	172875	178466	205702	173746
863.5663@5.32295	99866	1	246861	1	236452	5935	1	189348	8931	1	120375	16469	35753	30602	1	1	1	1	1	1	1	1	55758	1	1	1	1	1	1	6378	4922	1	1	52518	1	179073	1
C14 H12 N3 O17	13546	1	22318	43393	20775	22630	17641	17400	34594	19655	15434	18233	17716	21870	1	1	18279	16264	18348	16768	16506	17618	16410	1	27044	18791	24143	1	18626	1	19083	1	16037	1	17716	19720	14831
494.3508@5.345801	1	21804	17780	34672	1	17463	1	15462	26260	1	1	1	12547	11969	11246	14283	1	1	1	1	1	1	1	17650	21842	1	1	1	1	12900	11945	1	1	1	1	1	1
C24 H17 N2 O25	99148	126454	115003	197962	108314	112840	84854	84392	165714	84022	95024	88551	93964	89823	82041	85656	85350	86073	81498	83202	84795	84240	92140	90188	123921	91417	116708	83162	105985	101013	88240	82911	77526	81058	86164	95356	82721
C33 H62 N15 O4	155073	187223	180790	317044	161788	173180	131389	147573	271272	141841	153324	137351	154059	137169	129967	147399	139171	137083	132946	136737	131530	144672	145948	143036	199790	125541	185714	135511	166840	165358	145369	128039	125585	132291	127000	149324	126175
328.3085@5.349306	1	1	26638	1	7036	6374	1	1	20091	1	1	1	1	1	1	1	4053	1	3164	1	1	1	1	1	1	10010	10223	4995	4865	5176	1	1	1	10228	3605	1	1
C11 H11 N3 O S	1	6759	29522	1	5893	6363	6767	1	6950	3969	38667	8475	20946	7971	1	9886	12080	1	1	1	6894	22954	9040	4044	1	1	1	1	6886	1	15123	9310	6836	18680	12070	5304	3330
688.4194@5.353549	4913	25848	21480	1	1	18823	1	22487	18899	25942	1	17812	21199	13927	15598	1	1	19235	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10745
L-Pipecolic acid	51188	62758	163314	1	67715	73362	70401	1	91213	78292	1	1	1	38074	68838	1	43845	87701	1	47157	1	181397	1	49829	31250	127967	90788	54751	37547	1	45267	109302	1	64857	47274	89003	72095
201.1723@5.359742	1	18359	15050	1	1	1	1	1	1	1	18257	1	16951	1	1	1	1	1	1	1	1	1	13401	1	1	1	1	12660	1	1	1	13135	1	1	1	1	1
893.591@5.350523	1	23399	27470	1	1	36533	1	1	26335	1	1	1	1	1	1	1	1	1	1	14231	1	1	7507	9253	1	1	1	17084	1	1	1	17609	1	14958	1	1	1
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	1	14077	830868	102624	1265062	1	501356	1	1	89920	130363	73810	529423	700933	1	868383	301007	1	1	254710	8582	615865	795931	12751	43736	33533	1	59723	1	130576	325059	25622	1	915653	277236	954572	1
895.6024@5.37576	1	1	67214	1	79853	1	52091	1	1	1	34992	1	28941	25085	1	33986	1	13929	1	19310	1	21581	1	1	12148	1	1	1	8830	1	18711	1	1	1	7017	147814	1
795.5412@5.3993897	50187	1	31518	6675	3255132	1	54790	804968	1	1	1	1	24508	162860	1	34943	28979	1254714	1	15495	1	1357764	26884	1	1	3322	1	1	14880	1	9525	1	1	26410	1	1	1
923.6296@5.3771763	1	1	19658	1	13254	1	24004	1	1	1	1	5321	5002	6171	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11712	2368	19861	1
851.544@5.4117327	1	77265	90093	1	156109	421763	630381	409107	66077	28830	1	44350	189144	229910	266437	576587	1	441532	353513	27175	20611	144889	1	24971	347248	1	432395	36660	14614	1	49094	41689	31280	88492	45239	1	264062
115.0996@5.371853	1	1	42463	1	45800	1	1	1	1	31169	1	1	1	40605	1	1	36766	1	34792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
972.5038@5.372	1	1	6894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1031.5066@5.387387	1	6226	2080	1	2171	1	1	1	1	6258	1	1	5551	4605	1	1	1	1	1	1	6843	1	6001	5674	1	1	1	5680	1	1	6123	8409	1	2702	4570	1	1
928.5479@5.404803	1	1	15610	1	1	1	1	54632	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5873	1	1
835.5365@5.416941	1009703	1	124101	274342	1	151706	116256	1252676	1	1	1	194145	1	1	570658	1	1	180039	747329	309552	1	1	1	1	1	694604	1123087	1	1	39032	86230	1	1	129854	81284	1	842940
899.6345@5.401823	14176	1	52436	1	51604	7685	105204	37086	1	1	25684	11189	26340	44584	16029	60851	23761	78667	7916	18493	1	44357	30303	1	1	19518	27787	1	11782	4422	1	1	1	29775	23643	117898	1
871.6011@5.411217	66017	1	79019	1	451296	23480	220068	62452	1	31525	273182	19743	93337	188674	379376	178327	163945	183206	491541	284228	1	180498	98007	1	1	334937	1	1	102563	1	1	1	1	81423	79859	924354	485224
927.5896@5.4006057	1	1	36418	1	1	1	1	1	1	1	15375	54410	1	17332	16909	18596	15533	1	1	1	1	1	21642	1	1	1	1	1	1	4592	8480	1	1	1	1	1	31621
825.5152@5.4102583	1	1	93250	1	63693	1	1	36207	1	48504	1	1	39486	29948	1	24536	16828	1	1	51527	42430	1	1	55943	97095	1	1	1	26302	34580	1	1	47948	86490	36847	1	25172
885.6064@5.3994694	1	3938	295457	1	1	1	1	1	2948	1	1	1	1	1	1	1	1	1	1	1	1	1	5953	1	1	1	1	1	1	1	1	1	1	1	1	1	1
862.6045@5.378008	1	1	45650	1	1	1	1	1	44651	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
913.6134@5.421112	23685	1	24535	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9776	1	1	1	1	1	7705	1	1	1	1	10861	1	1	1	55341	1	1	1
879.5751@5.337677	1	8914	58741	1	218603	7295	1	1	11557	1	1	1	1	1	1	205450	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5598	9364	1	1	1	1	1
975.5235@5.405465	1	1	7548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3477	1	1	1	1	1	1	1
959.5808@5.4262757	1	1	9433	1	1	1	21754	1	1	1	1	1	1	2912	1	1	1	12552	1	1	1	1	5703	1	1	1	1	1	1	3512	1	1	1	1	1	21056	1
853.559@5.39746	154063	1	451029	1	182934	1	1	1	282187	144290	1	1	1	122199	1	1	434068	1	1	86745	1	304398	170539	1	1	1	1	186754	1	1	211129	176291	154590	199923	141961	1	1
890.6335@5.3862967	1	1	107839	1	1	163970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
931.6235@5.390247	1	1	47199	1	22588	1	115293	1	1	1	11778	3822	1	19437	1	1	1	47704	1	7877	1	1	1	1	1	1	1	1	1	1	1	1	1	8812	16908	96888	1
917.5314@5.379	1	1	73403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
854.0602@5.3853827	1	8467	2941	1	1	5340	1	1	1	1	1	1	1	4102	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
952.5506@5.38	1	1	5224	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
839.5664@5.4207163	1	1	869924	1	1279679	1	1	30559	1	1	426529	1	1	214802	302148	1	1	1	1	182277	1	373180	1	1	1	1	1	1	105797	1	1	1	1	1	1	1	1
991.5629@5.387059	1	1	3429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1216	1	1	1	1	1	1	1
891.5267@5.399158	1	1	224481	1	174821	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	212536	1	1	1	1	1	1	1	1	1	1	1	1	1	159488	1
1306.8116@5.382	1	1	3542	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
827.0375@5.3859787	1	11710	5961	1	1	9324	1	1	9567	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4697	1	1	1	5914	1	1	5748	1	1	1	1	1	1
1295.3125@5.383	1	1	3939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
867.5254@5.4053097	1	14712	111875	1	1	163713	1	659674	72663	28053	1	1	80906	110196	429987	1	63378	236271	1	410274	8836	360999	383697	1	1	1	1	8678	55815	5030	1	9061	3294	1	398589	1	1048479
923.524@5.427785	1	1	114207	1	1	1	1	1	1	1	17713	1	62490	1	1	25957	33012	1	1	6963	1	78962	1	1	1	1	1	1	1	6820	1	1	1	1	1	1	111526
912.5275@5.3988266	1	28592	32031	1	1	24321	1	1	25713	27407	10840	33351	35422	20790	1	1	1	1	1	1	27081	1	52010	44116	1	1	1	25212	29425	1	1	1	33262	1	37220	1	1
938.5374@5.4056354	1	33726	23012	1	23697	1	1	1	18260	27308	1	1	1	18497	1	1	1	1	11331	1	12591	1	13268	1	1	1	1	8812	1	1	18468	1	8364	1	1	1	1
905.5633@5.4198027	1	1	179781	1	1	24095	754130	594258	1	24764	1	1	1	151124	1	249481	111048	540302	1	1	1	1	109049	1	55206	1	1	1	1	68118	40934	1	1	88692	1	1	1
1292.331@5.412461	1	1	8402	1	1	1	20194	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
789.5577@5.3970346	1	271371	111019	1	1	571485	1	1	376295	1	1	112106	1	1	1	1	1	1	1	1	150094	1	1	1	1	1	1	1	1	1	1	137415	1	1	1	1	1
897.5745@5.414691	1	1	259750	1	1	1	237308	1	1	1	69164	118262	84422	87005	52771	72193	61718	1	58228	1	1	115093	1	1	1	1	1	1	1	21024	1	1	1	116414	1	1	1
761.5345@5.391125	1	1	8694	1	1	9277	1	1	8212	1	1	4681	1	1	1	1	1	1	1	1	1	1	1	6169	1	1	1	1	1	1	1	6927	1	1	1	1	1
929.562@5.4255886	1	1	108027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4661	18792	27355	1	1	1	1	1	1
1292.8235@5.389	1	1	10390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1289.3254@5.4159594	1	1	5109	1	1	1	9921	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
902.5353@5.417975	1	1	189630	1	1	1	1	1	1	1	1	51399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74833	1	1	176917	1	1	1
1692.1049@5.391	1	1	4248	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
862.0466@5.391	1	1	3151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
814.5514@5.3937287	7947	34931	4873858	1	1	1	1	1	40267	10346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	204013	1	1	1	1	1	1	1	1	1	1	339591
841.0532@5.395459	1	61093	48449	1	1	54629	1	1	58487	8358	4672	13358	7816	14940	1	1	3251	1	1	1	1	1	9633	32312	1	1	1	15662	4246	1	14324	14975	13081	11389	7946	1	1
1243.8312@5.401798	1	37315	12203	1	1	46642	1	1	15285	1	2737	8354	4482	1	1	1	1	1	1	1	24372	1	7172	19168	1	1	1	8196	1	1	7409	9325	1	1	1	1	1
811.5375@5.417782	3479710	15840	733515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11463	1	1	1	255968	1	1	24506	1	1	1	11050	1	1	1	1	1
803.5463@5.4215713	1	1520523	2012817	1	1	1200375	7458774	434027	1435794	1	1	668916	1	1	1	1	913305	2989569	1	1	1	1	1	1824342	570486	1	565077	834752	1	1	783389	907664	2139224	1	1	1	4452832
1256.8273@5.4432855	1	8369	23500	1	1	9767	1	1	1	1	1	1	1	1	1	2031	1	1	1	1	1	8438	1	1	1	1	1	1	1	5062	1	1	1	4198	1	31661	1
1298.8173@5.4012275	1	1	5278	1	1	4639	1	1	1	1	1	1	3855	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1287.3281@5.4259815	1	1	2238	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2830	1	6726	1	1	1	1
869.5419@5.4133444	1	68669	451417	190325	1	1	677932	1	1	86640	371265	234705	348509	244797	1	650990	508980	1	412913	1	38855	1	1	45611	222676	1	1	47421	130469	194852	247154	40528	1	308725	1	1	1
873.5731@5.4059563	1	7170	397003	1	269918	39222	1016292	1	1	1	202086	104084	59825	145960	1	1	1	840488	1	1	1	1	1	1	1	34328	1	1	72518	163318	1	1	1	278715	245408	907919	294436
C19 H46 N14 O S	1	1	34236	88110	30114	41695	1	39699	44964	34505	1	31996	31058	34040	33641	35670	37251	30125	38232	31142	33687	35059	31508	35843	48961	41864	56515	30117	42482	17999	31034	31857	1	27314	1	1	32156
843.5189@5.414209	1	423417	369316	115126	325969	482013	1	1	424710	398908	313563	513006	658302	853540	1	312641	632426	1	1	663093	422503	761342	924559	346917	1	163914	1	406533	502183	1	279223	470673	425186	853936	693221	334229	1
1230.3232@5.405405	1	27842	23991	1	1	27366	1	1	128132	10531	1	31020	1	1	1	1	1	1	1	1	21922	1	1	15405	1	1	1	21501	1	1	19140	24265	25073	20474	1	1	1
847.5573@5.4142003	1	1	142512	1	1	1	1263537	930568	1	1	135333	1	1	1	112811	76026	45563	2272198	1	1	1	1	72321	1	1	61109	1	1	1	1	58635	1	47351	1	1	1	210641
1270.825@5.4282417	1	1	16410	1	1	1	22128	1	1	1	1	1	1	1	1	1	1	7327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16278	1
C16 H10 N10 O9 S	43723	56776	41672	122684	40716	51178	43023	1	62434	44231	44945	40712	46914	43058	46421	45366	45771	33210	39494	39723	44304	49080	1	1	65585	60720	72493	41745	57339	48200	40453	40975	37564	36301	44487	48188	48477
938.6711@5.408378	1	14356	17991	1	1	12726	1	1	1	10171	1	14153	12190	1	1	1	1	1	1	1	9646	1	10994	1	1	1	1	10289	1	1	11322	1	12253	12782	6869	1	1
818.0616@5.4779644	1	1	5542	1	1	31925	1	1	69695	61323	1	69394	50417	30368	1	26456	21786	1	1	27692	46521	25240	1	70905	1	1	1	64321	49480	1	64841	75967	94494	48408	76195	1	8023
857.5869@5.411891	1	156160	613188	1	258311	156921	1	1	506423	1	1	1	1	1	1	1	1	156821	1	1	1	174547	1	1	1	1	1	1	1	1	256862	1	154218	308008	1	1	1
863.6154@5.41994	1	2978910	3033945	1	1	1	1037585	87622	3437262	2109543	1292775	3162505	2877808	1830436	136217	1108701	1425418	384366	454034	1626869	2960313	1560565	2754444	2612204	260197	155707	1	2790586	1912000	663960	2581048	3442599	3011328	2888411	2287138	1	648453
1248.3278@5.420753	1	13987	17562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
769.0414@5.4056253	1	132098	118782	249523	100576	122632	99710	114630	139401	100827	100960	94427	100347	99303	100451	100336	98998	90155	106103	104444	90209	102617	96929	104817	153123	114846	154146	88861	114147	113887	102585	89939	90256	83576	99657	97620	79546
Sulfathalidine	1	145150	117153	1	41976	112918	1	1	129801	83610	1	123352	88818	40049	1	1	1	1	1	55652	109081	36513	96208	127270	1	1	1	115150	54045	1	105965	132792	126342	98303	83338	1	1
1279.3298@5.419117	1	1	30468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7733	1	1	4655
1264.3181@5.4135327	1	4594	22626	1	1	1	1	1	19625	1	1	1	18449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17288	11432	1	1	1	8106
899.5172@5.416102	5844	1	58478	1	1	1	1	1	1	1	1	82420	1	1	1	1	1	1	1	1	1	313546	1	1	1	1	1	1	1	1	8416	1	1	178197	136057	76078	1
1244.8387@5.4512954	1	1	39304	1	19433	1	1	1	46387	15886	1	45118	15077	1	1	1	1	14991	1	1	1	9541	31025	15575	1	1	1	37431	1	4203	24553	39885	38085	29302	22140	11754	15286
1264.8195@5.409453	1	12953	20151	1	1	17835	1	1	18631	1	1	17365	17465	1	1	1	1	1	1	1	11281	1	14656	1	1	1	1	16703	1	1	16929	15231	1	18958	1	1	1
1659.118@5.411211	1	1	69708	1	1	38974	1	1	1	1	1	1	25098	1	1	1	1	1	1	1	21065	1	1	12962	1	1	1	1	1	1	1	48573	42450	23667	1	1	1
844.5998@5.4071827	1	1	46950	1	94677	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
870.5451@5.423804	1	1	542771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	130916	150826	1	1	33634	1	1	1	1	1	1	1	382805	1	1	1
875.5265@5.4249864	1	1	263449	1	37717	1	1	1	1	1	1	1	1	1	1	61065	1	131407	1	1	1	48231	1	1	1	1	1	1	1	1	104708	1	1	1	67312	1	87327
1261.8206@5.404	1	1	15203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1244.3376@5.430703	1	40440	55261	1	20809	36526	31618	1	64284	20329	20162	47658	32513	1	1	1	12916	1	1	1	27583	1	30776	21516	1	1	1	46423	1	1	41714	42293	44202	42197	21478	21056	10316
815.038@5.411769	1	25207	14067	1	1	17214	1	1	17272	17654	1	11110	1	1	1	1	1	1	1	1	12123	1	10010	15532	1	1	1	1	1	1	14858	1	11242	1	1	1	1
901.5313@5.420267	1	1	209958	1	1	1	1	1	1	1	146848	1	1	1	1	1	1	1	1	1	1	1	301277	1	1	1	1	1	1	1	1	4388	1	1	1	301718	1
1646.6102@5.398155	1	4399	14732	1	1	13273	1	1	13216	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1674.1064@5.42346	1	1	24112	1	1	1	18149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1230.8256@5.412445	1	85203	107558	1	36478	74319	1	1	106708	28887	1	78987	62692	1	1	1	1	1	1	1	71531	1	71163	54445	1	1	1	85553	26176	1	79316	96321	107543	83132	1	1	1
768.5401@5.4100933	1	1	168568	365789	1	1	114383	182839	245969	1	124049	150488	1	152054	163410	164826	148173	1	154458	1	149347	128733	1	1	202286	154159	224844	1	187686	174677	138084	162057	136711	131003	157139	202083	157651
1217.8156@5.4138885	1	1	31586	1	1	1	1	1	12033	6346	1	7964	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9565	1	1	1	11690	5989	8134	1	1	1
1648.1237@5.41	1	1	20337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1231.3282@5.427134	1	48582	99471	1	35309	74674	1	1	1	35603	1	1	43249	9797	1	1	1	21156	9006	31196	51003	1	56516	53384	1	1	1	51775	16501	9192	75335	92029	90330	75179	47896	1	10465
1634.6106@5.417453	1	1	25097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11358	1	1	1	1	1	1	1	1	1	1	1	1	1
1636.1195@5.4301715	1	1	84603	1	1	1	13904	1	1	12560	22383	36272	1	1	1	1	1	28223	1	24273	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
845.5428@5.417988	539620	1	653886	226001	1209986	1	1646368	1	1	1	618640	1	1	1	1	731033	1	1	954012	1	1	1	1	1	1	1	1	1	1	752586	276503	1	1	1	1	4397318	1
994.5462@5.501793	1	1	11228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3068	1	1	1	1	1	1	1	1	1	1829	1	1
1250.8337@5.4267464	1	1	23733	1	35704	1	24132	1	11082	1	1	11710	1	1	1	14086	1	18031	1	1	1	1	27412	1	1	1	1	1	1	1	1	22507	1	1	1	1	1
1679.1188@5.413	1	1	10983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1611.1204@5.4751334	1	1	266536	1	1	1	1	1	127851	1	1	1	47295	1	1	1	1	33537	1	1	65039	1	12801	1	1	1	1	1	6092	1	9572	1	1	1	1	1	1
1619.1127@5.4251633	1	1	37362	1	52657	1	1	1	1	1	54463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6507	1	1	1	1	1	1	1	1	1
1643.1395@5.438276	1	1	36159	1	23704	1	1	1	1	1	1	1	1	1	1	1	1	1	6781	1	1	1	1	1	1	1	1	1	1	1	9241	1	1	1	1	1	1
1649.6263@5.409816	1	6491	10293	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
805.5618@5.425995	1	5.41E+07	6.41E+07	2240230	3.32E+07	5.44E+07	1	1	4.87E+07	2.47E+07	2.10E+07	4.95E+07	3.57E+07	2.03E+07	1439258	1.79E+07	1.61E+07	1	2677126	2.07E+07	3.01E+07	1.43E+07	3.60E+07	3.03E+07	3087113	753368	1341884	3.76E+07	1.58E+07	7605970	4.01E+07	3.94E+07	3.67E+07	4.30E+07	2.60E+07	1.20E+07	1
877.6301@5.4194245	13231	31748	72498	1	1	1	1	1	1	1	1	33260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34685	1	1	56104	1	1	1	1	1	1
1218.3231@5.4252253	1	111221	23675	1	25204	33245	1	1	74193	50084	1	112267	51125	24431	1	1	23416	1	1	8427	58705	1	55124	19450	1	1	1	94285	9028	1	25092	93204	93617	22479	1	1	1
763.5511@5.433238	1	87232	88436	1	68326	86816	20934	17376	98903	54015	45496	44016	35394	40231	27901	1	21134	31319	2156	48127	65678	1	179811	66545	29660	1	1	77375	36245	3897	56642	71217	41811	36457	1	1	1
811.7321@5.415	1	1	5438	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
815.5678@5.4253387	1	52445	791232	462275	1574987	139062	2127734	1739224	75932	1	1	1	1	1	1350111	890135	626902	1	1265129	1	1	1	582578	1	1	3553356	1697783	1	384903	523006	1	138221	1	1	1	4101717	1002765
1235.325@5.417	1	1	27547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
755.0262@5.4209785	1	62449	54264	133649	54010	63381	45124	56111	86447	49709	50456	46216	53608	54653	52465	50015	47667	47206	45886	52222	47667	52312	50733	51910	81867	61745	71730	47092	61275	63611	51481	50633	45872	44339	46698	49770	44884
1651.1166@5.4276834	1	1	22694	1	1	10778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8958	16720	8387	1	1
934.5255@5.4104376	19714	14037	121156	1	1	23491	1	1	8774	1	1	1	22543	1	1	1	11710	1	1	1	11005	1	18424	22488	1	1	1	1	1	1	1	1	1	1	1	1	1
1219.3293@5.433595	1	73980	31910	1	1	76778	1	1	85080	1	1	1	1	1	1	26522	1	1	1	1	1	1	1	87242	1	1	1	1	14168	1	30795	1	1	44365	36799	1	1
1218.8252@5.430441	1	100967	59770	1	1	40737	1	1	47693	22791	35154	108358	49061	9003	1	28226	12559	1	19691	1	63275	1	42505	74276	1	1	1	1	23970	1	66060	64678	67535	57162	57018	1	21525
1621.6053@5.426571	1	36567	25605	1	1	10846	1	1	22984	1	1	46977	1	12819	1	1	1	1	1	1	10503	1	1	1	1	1	1	19067	1	1	22038	1	19674	13509	1	11742	1
1637.628@5.4338555	1	1	18833	1	1	1	12357	1	13286	1	1	1	1	1	1	1	1	1	1	1	1	1	4365	1	1	1	1	1	1	1	1	1	1	7907	1	1	1
509.3601@5.416319	1	4252	6046	22963	1	1	1	1	1	5756	1	1	1	1	1	7300	8094	1	1	1	1	1	1	1	15075	1	11530	5099	1	1	1	1	1	1	1	1	1
816.0461@5.437641	19343	173673	66044	1	1	107423	1	1	89269	100431	40465	97006	87260	33206	1	49057	41620	1	1	58246	120498	1	73523	113191	1	1	1	102705	70472	8917	121324	104827	114608	78724	81512	1	1
800.5761@5.4468293	1	1	96528	1	1	1	1	179123	1	1	1	1252919	1	1	1	1	1	318065	1	1	1	236961	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
822.5468@5.45273	101523	1	240641	1	1	1	1	395806	1	1	1	239138	343267	1	299368	507480	1	777989	460550	1	1	1	1	1	1	177427	518287	1	1	1	1	1	25063	1	1	1	501696
1654.1278@5.421685	1	1	23742	1	58100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1639.148@5.4369884	1	1	111571	1	40821	68576	41857	1	1	1	20083	1	1	1	1	1	1	41538	1	43901	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1609.1027@5.4336643	1	1	58383	1	31695	1	1	1	134318	107444	1	1	1	1	1	1	1	1	1	1	67307	1	159640	1	1	1	1	1	72098	1	64269	1	1	1	42273	1	1
1237.8386@5.4487357	1	1	25486	1	1	1	1	1	1	1	19788	1	1	24922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15702	1	7731
779.5465@5.449738	301847	7731342	6173795	768260	4939106	4790737	1	726746	5329177	3414736	2625307	2609951	1	1	1021811	1	1250395	329055	568274	4565483	1989886	1075861	1	2696812	216240	1	1049875	3434694	1459874	349354	3525524	3319486	1799750	1	772876	394327	334973
819.5813@5.4378	1	607284	876443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90044	1	1	1	1	1	1	1	1	1	556736	316914	1	1	1	1	1
1640.6177@5.435702	1	1	11295	1	1	1	1	1	1	1	4490	1	1	1	1	1	1	1	1	1	1	1	9962	1	1	1	1	1	1	1	1	1	1	1	1	1	1
849.5846@5.4294386	290104	1	212000	157052	485063	1	1	1	1	1	1	1	1	1	378076	1	216366	1	1	178336	1	1	1	1	156302	1	1	1	110432	1	91106	1	1	1	1	1	1
1238.3306@5.4343224	1	1	24180	1	1	21316	1	1	1	1	1	25638	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12863	1	1	1	11229	1	1
856.5746@5.449704	1	136046	176438	1	1	1	128289	223655	1	1	1	1	1	1	160381	263125	1	85599	106100	1	1	1	1	1	131183	185580	1	1	1	1	1	1	1	1	1	1	1
1609.6038@5.438715	1	26367	6468	1	13747	29795	1	1	33729	13414	1	23295	1	1	1	1	1	1	1	1	5712	1	1	13616	1	1	1	12382	1	1	1	1	17617	1	1	13403	1
787.5371@5.4286494	1	10848	115438	43965	1	1	382404	5743792	1	1	95801	1	70371	125236	1	170721	1	1532910	163420	71329	16748	1	142777	186136	1	1	1	1	45529	1	1	1	1	124079	1	326749	448763
876.6384@5.4353185	1	1	23971	60197	104522	1	1	1	1	1	1	1	1	88022	134599	1	1	1	189604	89532	1	1	1	1	1	88938	115160	10357	1	1	20052	1	1	54867	1	282603	204825
1585.1031@5.4524755	1	1	63338	1	32653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52869	1	1	1	1	1	1	1	1	64018	1	1	1	1	1	1
817.5831@5.436497	3411291	416670	1488074	1212647	4417248	1031697	4477523	3792140	348344	704538	3010999	1	1133241	1989617	1549832	3270901	1159882	1	2089592	1	1	1	952549	1	1130723	1	2605486	373349	1140196	3630760	400915	1	465404	1337392	1	8599836	2214427
C45 H67 N7 O2	1	25712	17260	1	22642	23484	1	1	1	15667	6151	6218	1	1	1	1	1	1	1	1	13938	1	1	16843	1	1	1	18042	1	1	12561	14838	1	1	1	1	1
391.7887@5.4659033	1	1	12505	1	31986	1	66430	82280	1	1	26059	1	8121	16375	32184	27929	45373	84384	44442	1	1	19658	13647	1834	59516	67784	44274	1	12065	1	1	1	1	1	1	113293	63142
1587.1191@5.451786	1	1	306426	1	91603	241492	27716	1	263539	80424	64137	184793	58420	1	1	1	1	28458	1	1	126390	1	114885	91447	1	1	1	91390	1	3062	118125	1	1	1	1	39059	1
1595.1101@5.44198	1	1	28401	1	86952	1	1	1	12138	14162	1	14454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1628.1136@5.4453444	1	1	22953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9926	1	1	1	1	1	1	1	1	1	1	1	1	1	52929	1
1224.834@5.4525867	1	1	65439	1	1	16951	1	1	1	1	1	19463	1	26863	1	1	1	1	6754	30249	1	1	1	1	1	1	1	1	19509	1	79292	1	1	27500	1	32541	1
1241.328@5.453652	1	1	12959	1	1	1	1	1	1	1	1	1	1	1	1	1	9313	1	1	1	1	1	20055	1	1	1	1	9008	1	1	1	1	1	1	5528	1	1
931.6226@5.4541817	2177	1	4365	1	1	1	1	57158	1	1	1	1	1	2989	1	1	4650	1	6550	1	1	1	1	1	11754	1	1	1	1	25466	1	1	1	1	1	1	60464
1610.6117@5.510737	1	1	19990	1	1	1	1	1	1	7229	1	1	1	1	1	1	1	6115	1	1	20590	1	1	1	1	1	1	1	1	1	9764	1	1	1	1	1	1
385.7704@5.462135	21122	1	5716	17888	50174	1	29763	25515	1	1	1	1	5602	10994	26503	14182	9827	47988	20344	7181	1	13098	9401	1	10055	1940387	20133	1	6550	20247	1	1	1	1	1	1	32952
1206.3226@5.450766	1	69755	65057	1	1	62275	13689	1	27980	45433	1	1	52287	48643	7619	6750	14825	27503	1	11516	23644	1	36770	65747	1	1	1	1	7454	1	67745	78363	23957	19866	14581	19550	13068
377.773@5.450276	77246	1	26640	46948	76884	1	114834	100819	1	1	57326	9416	19724	44642	99039	61210	33056	190329	83350	24638	1	51420	42535	1	43292	62614	76416	1	21643	83577	10745	1	1	22304	1	120965	103723
771.5423@5.483372	292589	1	508101	166980	790837	1	2798049	620362	26589	1	841334	105810	224905	2170999	3636101	423575	218223	1944483	2885843	1	1	334791	1	1	1981647	3798033	5686934	1	315448	2020513	1	1	1	1	1	2682930	1340426
1624.623@5.482706	1	9290	18629	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3508	1	1	1	1	1	1	1	8361	1	10161	1	9619	1	1	1	1
833.5933@5.4563727	1	1.05E+07	1.50E+07	526455	5810940	8041579	2946078	409728	1.22E+07	5606037	3521093	1.47E+07	8060836	5179792	434667	3896078	2881509	647626	811641	3021096	5579731	3735036	6537242	3794464	1028799	1	328884	6336616	3403377	2138574	6254111	7586922	8445281	9089190	5447958	2685438	1398614
893.6544@5.4889736	1	1	87207	4619	1	1	16720	1	1	1	1	1	1	1	1	1	1	1	1	16877	1	58964	1	1	1	1	1	1	1	1	73398	1	1	1	1	1	1
1598.1187@5.457834	1	1	202849	1	1	1	1	1	65507	1	27268	39889	1	55363	1	1	1	31621	1	60276	18166	1	1	1	1	1	1	1	1	1	1	82592	13252	25970	1	1	1
GPSer(18:0/18:1(9Z))	5382781	1	2701645	3742088	9171597	836370	1.33E+07	1	1	1060233	6830649	1400230	2346675	5143863	7748430	7343237	4299552	2.10E+07	8204626	3683151	1	4975317	5704390	1	2017622	6297413	7830089	434373	2061061	8393646	1645423	1	1	2655400	1065021	1.61E+07	1.34E+07
1625.1359@5.469001	1	25783	25824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11619	1	1	1	1	1	1	1	1	1	6944	1	1	1	14744	1	1	1	1	1
C41 H69 O4 S2	1	1	9348	13137	26291	1	36249	30024	1	1	19403	1	7754	17926	30180	21713	15165	66561	30832	12628	1	23804	15407	1	1	23459	20536	1	9368	23018	1	1	1	8744	1	43241	38634
965.5109@5.4554453	1	1	74977	25079	6966	1	1	1	1	16895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6186	9837	25001	1	1	52477	19853	1	65933
1193.3156@5.4681997	1	9057	3657	1	1	1	1	1	1	1	1	1	1	1	1	2126	1	1	1	1	1	5855	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1218.3323@5.4798346	1	1	32423	1	1	1	1	1	1	1	1	1	1	10322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9516	18720	1	1	1	1	1	1	1
1584.118@5.476057	1	1	7070	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
821.5455@5.4447107	1	277667	578301	1	1782197	140986	2085594	1	1	1	1063936	1	217213	1039392	1	614090	1	1	1	543699	90291	956910	2910638	1	687162	1	1	185020	380728	1	2057691	1	1	638033	250422	1382929	748849
914.6705@5.4552536	1	11401	12409	1	1	1	1	1	1	10660	1	1	9614	10111	1	1	1	1	1	1	8116	1	8060	1	1	1	1	8247	1	1	1	8505	1	1	7835	1	1
1-AG	33487	1	11425	21442	35672	1	51145	1	1	1	24835	3072	10357	18598	42293	28279	17775	81948	36488	10146	1	21753	19834	1	14221	31047	36127	1	11884	40154	1	1	1	10212	1	54194	53064
791.5786@5.453244	1	1	1487535	1	1	777862	1	1	1743007	1	1	1	628176	1	1	1	1	1	1	1	975886	1	1	492361	792509	1	1	583789	503638	1	1	444177	533826	661464	223014	1	1
839.6152@5.459817	101856	2760023	1637103	340162	1122424	1443682	601117	1	1767715	2294539	972463	2051912	1877495	1605211	181534	1544725	1333854	551396	843930	1173943	2429081	1961595	1699082	2391913	352662	208374	142164	1668580	2072167	818645	2201670	1	2150418	1574245	2191013	1152069	1
1597.6058@5.4548664	1	63062	15408	1	1	13953	1	1	25433	1	1	30016	5263	1	1	1	1	1	1	1	12269	1	1	12533	1	1	1	4620	1	1	19708	1	1	12721	1	1	1
PS(P-20:0/20:3(8Z,11Z,14Z))	12052	1	150635	1	609717	1	458339	138370	1	1	1	1	1	268588	1	340816	264211	226638	132578	132163	35544	1	253519	1	153213	86371	108009	1	134187	57483	1	1	1	129914	118559	1	186012
1613.6292@5.4615936	1	1	16298	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12607	1	1	12455	6739	1	1	1	9345	1	1	1	1	1	16067	1	1	1
1220.8392@5.4536834	3556	93876	58358	1	1	1	24704	11608	1	1	1	1	33672	1	8063	1	13265	36899	1	1	43912	1	45321	1	1	1	1	44369	29257	9002	43363	44723	47968	38559	1	30421	1
1572.1129@5.4818835	1	1	25654	1	1	1	1	1	1	1	1	1	1	2570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6444	1	1
1212.3348@5.45706	1	1	37177	1	1	1	1	1	1	11905	1	40769	1	1	1	1	1	1	1	1	9297	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1211.8414@5.493315	1	19362	26218	1	1	1	1	1	1	1	1	11459	1	1	1	1	1	1	1	5882	1	15019	1	15522	1	1	1	1	1	1	1	1	1	1	14821	1	1
1221.3435@5.4582806	1	1	40820	1	1	26319	1	1	1	1	1	54903	1	1	1	1	7475	1	1	1	1	1	43985	1	1	1	1	22597	1	1	1	21513	26342	1	1	1	1
1601.1295@5.464213	1	1	30532	1	1	1	1	1	1	1	34705	1	1	23859	1	1	1	1	1	25888	1	1	1	1	1	1	1	1	1	1	1	1	1	35877	1	1	1
1643.1711@5.4669304	1	1	23191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10305	1	1	1
859.5288@5.446125	31199	1	53026	61056	161820	1	1	1	1	60036	21895	53497	60825	1	1	61851	1	1	1	40267	20352	115783	116646	28337	89210	1	74555	1	87365	1	1	16698	1	39206	79892	1	35922
1194.8258@5.466419	1	78329	30040	1	15310	48880	1	1	49959	22949	13840	36326	16452	29820	1	1	18403	1	1	35911	46277	1	70532	23365	1	1	1	20469	14823	1	98126	16953	20003	18885	37074	1	1
C45 H81 Cl2 O3	1	65063	44141	1	61424	60052	1	1	58063	62426	41825	23839	23285	34163	1	20205	20378	7941	14525	43011	35417	43797	18256	44800	1	1	1	47973	34514	1	49877	35878	75918	20404	7490	1	1
1559.0878@5.479658	1	65105	39413	1	1	1	1	1	1	70159	1	5305	1	1	1	1	1	1	1	1	1	1	33249	129092	1	1	1	7772	1	1	38690	8891	35773	71599	1	1	1
893.5275@5.398604	1	13346	30370	1	1	18575	1	1	102269	102828	1	1	1	1	1	1	1	1	1	12685	1	1	1	1	1	1	1	1	1	6183	21305	8157	1	43931	1	1	1
795.5764@5.486082	1	1	1556038	1	1	1	1	1	1	1	1	1	1	206609	1	1	240277	1	1	1	416203	1	1	1	1	1	1	395888	1	1	1	1	1	1	1	1	1
781.562@5.4656515	2087420	7.54E+07	6.50E+07	3649422	3.18E+07	4.03E+07	1.57E+07	2089561	4.16E+07	2.73E+07	2.43E+07	3.13E+07	2.60E+07	2.57E+07	2153178	1.74E+07	1.44E+07	8195071	7655320	2.50E+07	3.22E+07	2.15E+07	2.49E+07	2.55E+07	3124496	2111311	1691445	2.72E+07	2.45E+07	7621507	2.96E+07	2.13E+07	2.52E+07	3.12E+07	4.30E+07	1.95E+07	6971325
1585.6084@5.4670124	1	29475	11671	1	10998	13603	1	1	21682	1	4958	29922	1	1	1	1	1	1	1	7168	7226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1215.3175@5.4777627	1	1	12158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12053	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23272
PS(16:0/18:1(9Z))[U]	32216	1	5654	17097	1	1	27294	18966	1	1	1	1	1	1	26699	1	1	37269	20262	1	1	1	8086	1	16186	39036	46145	2668	1	25891	1	1	1	6348	1	40334	59119
1208.8405@5.4815736	1	1	55997	1	1	63667	1	1	1	58181	36562	1	46070	1	1	1	1	1	11119	1	27668	1	31828	55529	1	1	1	69063	1	1	57785	51561	61433	49474	1	1	1
1195.3292@5.4771824	1	1	37628	1	23546	60396	1	1	1	26416	34615	48939	42731	17384	1	11463	1	1	1	27762	25981	27008	40500	59463	1	1	1	50823	22045	1	53957	1	81830	36878	49334	1	1
PE(P-20:0/17:1(9Z))	1	400114	726829	1	319273	385913	40590	1	367971	222591	231931	156321	127277	170244	1	103509	114738	1	1	206189	249858	79207	1	236604	1	1	3154	285079	118385	1	270715	248581	192295	175535	132406	58949	19260
1562.1064@5.4781327	1	52591	30412	1	1	5699	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	136431	1	1	1	1	1	1	1	31829	1	118271	1	1	1	1
861.5404@5.4752784	1	1	96527	1	1	1	1	1	1	1	94757	1	1	1	1	131550	1	1	1	61414	1	116123	1	21895	1	1	1	1	1	1	1	9204	1	90638	1	1	100602
1209.3442@5.487845	1	1	54097	1	1	1	1	1	1	46080	1	41738	42731	16203	1	1	1	1	1	34089	1	1	1	1	1	1	1	1	34568	1	60271	44948	57143	42962	1	34136	1
713.5352@5.4863515	1	1	7248	1	8503	7322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7452	1	1	1	11578	1	1	6991	1	1	1	1	1	1
1600.6245@5.478523	1	1	18606	1	1	1	1	1	15411	1	1	1	1	1	1	1	1	1	1	11141	1	1	1	11452	1	1	1	1	1	1	1	1	1	1	1	1	1
813.6004@5.4933395	1	1	191687	62491	1	1	1	12793	1	236461	1	219772	269168	1	101445	143093	144454	168564	165643	1	211044	285304	276393	420664	1	94036	1	1	1	1	1	295111	241938	295382	1	1	185495
1604.1267@5.466225	1	1	20763	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3728	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1591.6143@5.5156255	1	3919	13652	1	1	11605	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
755.5472@5.487384	562645	5447677	6630101	787872	6317822	4614180	2977632	656815	4549944	2690334	2746166	3894408	3334403	3640364	1382512	2707401	2314029	2357608	1564389	2820862	2187385	3260537	4078913	3599581	906023	1189759	718307	2988100	2293941	1422325	3274940	3312490	2839841	5733041	2401180	3036140	2581924
1182.8258@5.490563	1	68907	12653	1	1	47328	1	1	46866	19479	14665	37955	34647	15376	1	9438	9661	1	22001	15346	39888	44541	1	46739	1	1	1	16408	1	17187	18824	37847	38486	39023	13489	1	1
PE(17:0/22:4(7Z,10Z,13Z,16Z))	1	353171	309820	1	353041	244151	1	1	181431	163175	1	137176	1	1	1	1	1	1	1	116491	1	40143	1	1	1	1	1	129822	86478	1	268109	1	1	159927	1	1	24409
1619.17@5.4784	1	26968	35769	1	1	14636	1	1	1	1	1	15410	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
727.523@5.485285	1	1	15890	1	1	13353	1	1	1	8635	1	1	1	1	1	1	1	1	1	1	1	1	6561	13319	1	1	1	1	10279	1	7667	1	1	1	4723	1	5440
Mulberrofuran C	1	24173	29050	1	4911	15725	1	1	1	15348	11139	14811	1	12750	1	1	1	13378	22197	12351	13719	5682	13610	16319	1	1	1	15040	9763	1	1	12727	14936	1	12152	1	1
1187.3259@5.4978313	1	1	15720	1	1	1	1	1	1	1	1	1	1	1	1	1	17714	22693	1	3181	1	1	1	1	1	1	5955	1	1	1	1	1	1	1	1	1	1
769.5543@5.499183	21984	546885	811895	537806	1	722309	1	1	522213	355853	505040	290142	1	1	1	1	1	162006	1	490066	1	299682	373016	1	17130	1	1	321133	1	1	1	1	1	388136	351227	1	83770
532.7111@5.4900227	24770	11136	31723	106904	21987	32607	35195	34862	43997	32395	29187	32724	34208	33051	39181	1	35948	25328	1	28454	31165	1	22882	1	61708	51434	62837	27919	1	1	31709	1	33546	24067	31237	1	32039
1217.8326@5.498464	1	1	5460	1	1	1	17091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13275	1	1	1	1	1	1	1	1	1	1	1	1	1
342.2878@5.5029883	1	1	15120	1	1	1	1	1	1	1	37289	25604	1	1	1	27724	1	1	1	1	27133	1	1	31398	1	23462	1	24377	1	33451	1	1	1	1	24463	1	1
809.5933@5.505445	1	1.85E+07	2.09E+07	1458848	1.10E+07	1.49E+07	1.26E+07	1	2.11E+07	9253552	9199145	1.49E+07	1.16E+07	9364729	731074	8148913	6125909	3868192	2786840	7587327	1.08E+07	5202309	9547838	9522973	1400578	745933	614537	1.05E+07	8234410	1307550	1.15E+07	9485142	1.29E+07	1.39E+07	1.65E+07	9073162	3366571
1183.8326@5.49799	1	1	19834	1	23382	1	9469	1	1	27651	84676	1	1	19940	1	13259	12141	23980	1	24649	1	1	1	1	1	1	1	47470	18376	1	60874	1	1	1	21874	13291	1
1196.8398@5.496414	1	67384	41101	1	12829	29747	1	1	86252	1	1	30816	1	49661	1	33297	28201	14372	1	43044	61974	1	1	1	1	1	1	30092	1	11647	1	1	70672	1	28943	39131	1
791.0541@5.4951053	31024	85561	129600	144553	52402	149383	84128	56555	177922	64131	1	57317	68420	1	62073	126554	1	83346	1	1	58125	103486	1	65299	101829	52025	1	60476	191699	1	179882	59311	57633	110691	63121	109757	71023
787.5368@5.4926643	3260693	80657	398905	651930	3271094	178533	1	410390	56070	148424	514313	206380	322355	392261	2635997	453930	658390	734763	630729	287161	62020	590932	353689	135548	1111945	3884406	5225609	155958	189294	1129815	271769	74445	70409	241667	172165	512772	478329
1588.6252@5.48999	1	21576	18036	1	1	1	1	1	25673	1	1	1	1	1	1	1	1	1	1	14312	1	1	1	1	1	1	1	5581	1	1	1	1	1	1	1	1	1
1170.3236@5.5039043	1	33679	13673	1	1	1	1	1	21240	21158	16616	19958	1	20185	1	1	11361	1	1	1	17013	9478	20454	20633	1	1	1	20532	1	1	22871	18489	18555	19879	13542	1	1
1575.1202@5.4947834	1	13682	36139	1	1	39126	21774	1	37639	16246	1	40110	1	43259	1	19050	1	1	1	1	1	1	1	1	1	1	1	8041	1	1	1	1	1	1	1	1	1
799.5724@5.508689	2043121	69305	541354	751693	2825687	207140	2080549	1077893	1	171826	1742626	339137	664934	1045931	1617298	1736823	1262613	1	2203039	626941	1	1	435697	201737	831072	2129226	2673495	155645	504695	960063	315050	117802	140013	301001	292865	1904445	659916
1197.3435@5.5046163	1	1	43183	1	1	52454	1	1	70469	1	39194	63419	49604	1	1	1	24839	1	1	1	1	1	22602	56259	1	1	1	30181	1	10715	53629	50578	1	30341	32788	1	1
1513.1053@5.502439	1	37450	45426	1	45948	33369	1	1	31214	11022	18571	20538	19431	22754	1	15953	1	12948	1	12467	1	15812	27470	11445	1	1	1	22353	1	1	19073	20976	1	37208	1	12638	1
1575.6187@5.5026746	1	13364	15242	1	1	18795	5964	1	36724	6821	16313	25718	18392	1	1	1	1	1	1	5770	1	1	6033	1	1	1	1	23042	1	1	24728	1	1	1	6925	1	1
842.6331@5.4938836	1	400877	309635	1	1	1	1	1	1	1	1	222547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
777.039@5.505567	1	1	37694	95143	1	46980	41713	37069	79673	36775	31303	50377	1	40732	38603	44454	31262	21495	40167	1	40522	49839	33915	56615	57706	38839	50976	21416	46393	23093	33002	47923	47098	1	46712	42628	13788
1567.149@5.524967	1	269895	178603	1	1	238670	1	1	1	113149	1	1	1	1	1	1	22691	103513	1	1	1	39038	1	1	1	1	1	1	1	1	106479	83989	1	171306	1	1	1
1198.852@5.5557523	1	1	19357	1	1	15345	38219	1	5440	14269	1	1	1	1	1	1	7696	1	1	20236	1	1	1	1	1	1	1	1	17151	1	1	1	15105	17351	31372	1	1
C28 H63 N19 O4	44192	367748	436596	60677	442645	343721	199535	55770	318836	215695	228561	316214	281695	227012	130712	179172	148815	189684	133318	247165	207519	208441	223177	349837	71924	132168	75974	267534	224992	68541	256442	255552	189362	325961	141833	192411	210363
1184.3379@5.517968	1	1	66269	1	1	40533	58553	1	1	92435	75232	93895	71758	1	1	60399	45448	12426	1	74713	1	31106	90208	1	1	1	1	72078	1	13027	1	73164	1	76652	95541	79404	6921
1184.8408@5.522893	1	165697	68806	1	1	89427	55807	1	88302	67355	1	79855	62269	60364	1	50123	45990	1	1	63325	62723	1	77869	60315	1	1	1	55690	34406	1	1	65941	69689	63151	79790	65004	14917
1563.6191@5.5250335	1	1	26331	1	1	36184	9111	1	1	16826	1	1	16132	20939	1	1	8503	1	1	1	1	3305	21753	15268	1	1	1	27772	10927	1	35480	1	1	23511	16485	1	1
772.5711@5.522201	1	1	701668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	408278	1	1	1	1	1	1	1	1	1	1	1	1	1
801.588@5.5307174	1	1	242816	1	2900316	1	1	434922	57464	159679	1	1	1	1	1	1	1	1	1	1	1	463525	445647	1	751969	1	1	72485	1	1	185917	1	64037	232834	159371	1	273786
1550.1088@5.5216527	1	62236	49631	1	8107	66784	14031	1	56379	1	1	46443	23496	1	1	1	1	1	1	35423	16938	9456	46897	1	1	1	1	10406	1	1	10731	1	1	33225	20858	1	1
1550.6122@5.5274053	1	1	25653	1	1	1	8453	1	36258	1	22892	1	1	9843	1	1	10941	21385	1	20568	1	1	1	1	1	1	1	10313	16856	1	38176	1	1	1	12785	1	1
1171.3298@5.5221367	1	81635	101307	1	1	137185	56869	1	126765	103051	109392	109201	83480	78916	1	79847	72131	23524	1	100281	68154	38244	35273	83467	1	1	1	41815	34679	1	45715	84613	84628	92299	82271	25577	30788
507.3315@5.519	1	1	5979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1171.8329@5.5266967	1	137292	81383	1	16521	109604	51424	1	107571	86595	90414	1	1	38757	1445	68631	41806	27627	16371	81657	1	30122	101593	69820	1	1	1	42327	75520	27682	119287	1	64017	73933	62806	34108	24065
C24 H41 N6 O5 S	1	540067	561763	13146	255783	374455	41651	1	528443	260780	170621	680370	261022	136100	1	75283	84138	20269	16219	191268	255879	183987	154624	272685	16195	11733	15734	298661	181350	50438	252384	442825	357908	228956	128861	57109	22477
C41 H81 N3 O2 S3	34274	1016398	811374	86179	871424	1	288330	53864	556639	499653	588820	524828	340106	421402	149306	322376	362333	442370	207034	553399	214815	365051	464599	326254	100106	134574	162761	338303	303555	220652	1	384523	251324	489995	156679	299392	243611
741.5663@5.526992	1	153471	134926	1	187212	589703	39195	1	178114	81012	115708	100296	72562	101750	1	57444	68491	74037	52528	106734	67224	53238	73602	119343	9202	15349	1	144387	94173	1	133365	102843	1	1	45390	55049	38482
794.0609@5.5296154	24398	1	52909	1	1	60981	1	1	71856	1	1	1	1	1	1	36056	1	1	1	1	1	1	1	1	1	1	1	1	52938	1	1	1	1	41898	1	1	24637
1537.606@5.533676	1	76916	19069	1	12741	30348	4874	1	26675	16243	16917	31623	15540	28088	1	1	1	26872	1	14050	6873	1	46879	7204	1	1	1	24326	12895	1	33923	11689	11538	20494	5633	12608	1
1158.3239@5.5336757	1	382966	90128	1	59656	133465	18507	1	118846	88551	94760	137933	94935	137910	4762	92407	73472	155093	19351	74214	1	41255	214088	65275	1	1	1	154417	103585	40480	190304	93231	81245	105934	51087	77998	15935
1282.8455@5.537017	1	49808	42962	1	17784	34772	1	1	47430	30246	8886	67004	28298	1	1	1	1	1	1	17740	1	6660	17870	1	1	1	1	12607	7922	1	23337	85323	44362	16599	1	1	1
1569.1626@5.535756	1	1	129570	1	1	1	1	1	1	1	62926	1	1	1	1	34941	1	1	1	1	1	1	1	1	1	1	1	59872	1	1	68136	1	1	1	1	63474	8111
1158.826@5.534784	1	330498	77284	1	55120	122648	43203	1	105464	77565	81334	120424	79187	101591	4547	77208	63999	152354	1	63697	53952	34679	234437	57884	3870	5117	1	122651	70397	36612	176093	77048	69893	87189	51883	79621	37377
780.0462@5.546106	1	304033	60483	13845	1	149059	70625	1	98166	131105	103172	114564	118693	115515	18366	148400	105279	1	116323	90910	106480	72449	235357	106314	1	58417	12157	128964	199802	92001	156557	117007	121606	106533	87928	1	81156
769.054@5.53525	1	167470	82183	1	100166	100112	42601	1	1	50220	75843	552571	65324	85342	1	1	285695	78905	72541	52330	241678	1	100243	268232	1	1	1	79953	45455	1	93758	1	42152	76718	36197	69520	26435
1541.1342@5.5315714	1	1	629917	1	1	493200	1	1	181149	135900	1	375191	1	1	1	126299	75772	37286	1	1	57839	86414	157500	82304	1	1	1	1	107000	37333	1	93369	76758	144522	1	213783	1
377.7732@5.5361104	1	1	16552	46651	217973	1	60107	1	1	1	62556	1	42930	47784	59165	76816	78166	80883	83058	28646	1	107546	58984	1	116210	107032	102713	4562	26289	1	13771	1	1	27367	1	47245	63700
1529.134@5.528217	1	12725	24003	1	50353	20343	15340	1	1	1	6014	1	1	1	1	1	1	22582	1	13438	1	1	1	1	1	1	1	1	1	16596	56189	1	1	1	1	6985	1
1285.8606@5.536	1	1	6932	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1232.3248@5.5421176	1	88153	3812	1	1	17382	1	1	1	28568	14644	14473	22608	42605	1	16096	22443	33972	22508	11426	12336	12024	49491	7036	1	1	1	30245	1	10250	40906	16866	15979	12595	15853	20857	15894
PE(22:2(13Z,16Z)/15:0)	1.53E+07	1.47E+08	1.24E+08	2.21E+07	1.84E+08	1.32E+08	7.88E+07	1.91E+07	1.36E+08	7.99E+07	9.82E+07	1.14E+08	8.42E+07	1.07E+08	2.67E+07	8.58E+07	7.35E+07	8.53E+07	4.63E+07	8.64E+07	5.65E+07	6.59E+07	1.15E+08	6.34E+07	2.15E+07	2.65E+07	2.25E+07	8.18E+07	6.31E+07	5.02E+07	9.52E+07	7.43E+07	7.12E+07	9.34E+07	6.14E+07	8.21E+07	6.27E+07
1258.8438@5.525799	1	41901	30269	1	25449	21511	8666	1	28366	19066	13353	36513	15050	21124	1	14681	15293	1	1	14643	17591	2245	19565	17187	1	1	1	17579	21689	7177	8663	23395	20395	12181	19611	16934	24457
Fexofenadine	12737	364097	361841	20182	215733	196362	52706	7196	296035	148669	116696	286946	150060	84170	9296	47477	54268	26088	21548	144289	177670	126880	65356	174835	13132	21666	23949	149780	137104	26420	137251	184272	186640	89509	125085	61626	20387
1247.3442@5.467967	1	1	6794	1	17500	1	1	1	15439	11232	1	1	1	24830	1	1	1	1	1	11663	1	1	1	1	1	1	1	1	1	1	7304	1	15646	1	12566	1	1
926.5404@5.5482736	37861	1	24777	101329	9872	48767	59895	1	1	103210	50898	51027	81085	1	90671	70639	76175	1	1	54269	111668	67473	1	102447	79524	73006	68096	1	98750	1	1	94490	90143	64097	78925	67275	97342
1220.8322@5.560629	1	1	15306	1	1	31860	6354	1	26631	1	19593	1992	8167	45419	1	1	26963	1	1	14076	17285	9706	1	19741	1	1	1	32933	1	10422	35338	26691	1	1	1	1	1
1221.3333@5.560419	1	1	16111	1	1	26621	1	1	1	29460	1	1	19980	38342	1	1	27174	27724	1	12969	19547	8250	36294	1	1	1	1	27455	19152	1	27095	24000	1	1	1	21072	1
1235.3466@5.5494213	1	1	11693	1	1	1	1	1	1	20688	1	1	1	24405	1	21994	1	15894	1	6091	1	1	16021	1	1	1	1	1	1	1	22646	9591	9008	1	1	1	1
715.5507@5.5662007	1	46349	34582	1	86471	65889	1	1	61080	1	1	1	34265	1	1	1	1	1	1	1	37294	1	1	1	1	1	1	51601	39403	1	44103	35534	11997	24934	1	1	1
C28 H49 O2 S2	9291	29691	46689	5252	63243	18930	24774	7174	15912	10583	24030	44182	25391	17050	10954	15979	15486	28992	17820	13510	13821	25318	14807	14891	7356	12363	20161	12889	13551	5925	15853	19180	13391	13686	8551	13903	13681
815.6157@5.564036	559749	8010874	6740065	1	5412773	6474954	5799004	1585972	6908824	7293870	6722058	6525940	6733899	7328546	2827601	5895935	6083718	5896891	4223050	5861655	5246721	5612060	7439893	5898685	1994388	2579302	1	7102329	5785695	5052776	6786820	6795368	6083889	7108461	5068863	5575902	5095173
PE(20:1(11Z)/15:0)	1	940781	1729382	233174	1805908	850947	801964	429311	922786	554622	691505	759188	701285	700317	479067	625557	525477	860576	661481	669552	510025	620351	811393	885191	488506	636858	426215	775698	384958	301493	741488	685404	458988	953563	490770	806320	814349
C28 H33 N7 O2	1	56319	45132	1	33917	28178	1	1	42526	26373	20525	27254	7918	1	1	1	1	1	1	20776	14101	16999	1	19228	1	1	1	23324	14603	1344	19180	31621	14885	10437	1	1	1
LysoPE(0:0/18:1(11Z))	27385	69612	68708	1	72772	34061	50606	15136	53182	29507	34846	27731	18610	40854	10850	14102	15827	30976	23571	36668	20502	26419	15667	31496	6424	12251	18169	23694	21336	28683	25541	28771	17572	16108	25264	28428	9762
930.5725@5.5713887	30097	1	48767	101904	1	44196	1	41522	42641	190765	61077	39243	47269	38550	90021	33663	42511	1	1	1	38486	1	22560	245898	64171	117392	67685	62419	48053	33792	52612	59304	58420	46503	64746	1	40474
107.0039@5.5737863	8397	1	21280	7260	16470	1	12498	1	10945	1	14502	1	11265	5535	5036	1	6856	1	1	27512	1	30933	1	8362	1	7707	1	1	1	6057	1	10919	9893	1	1	7076	7564
819.628@5.609554	1	1	89725	1	1	1	137288	1	1	1	1	1	1	1	11013	1	1	1	1	1	1	1	60096	1	1	1	1	1	1	1	1	1	1	1	1	1	1
801.5952@5.573906	1	1	143159	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35558	13809	1	1	1	1
1132.6049@5.57374	1	1	28305	1	27847	18975	26945	1	30655	13283	36117	26293	25210	12411	8726	7905	7872	1	1	44705	11955	27292	1	20819	1	11663	1	9039	6628	10291	1	21703	11592	18944	5821	4288	14506
Taurine	1013925	1097271	2192063	963114	1905657	946082	1416384	594816	1467599	764077	1711055	1197209	1185397	701937	812185	626573	784437	444533	327216	3181277	741469	3598591	355827	1063720	522629	1067455	751432	661500	503345	653641	495347	1086460	1057520	1508957	752066	678448	846143
947.6345@5.5724216	1	1	9859	1	1	1	1	1	6821	3140	12850	7260	14831	1	1	1	6424	1	1	1	7159	1	1	4989	1	1	1	1	2996	1	1	1	5427	1	1	1	1
C14 H30 N O8 S5	38269	67423	74353	62825	31747	13258	53458	23413	32889	15953	51137	25697	31781	1	35634	8037	14454	1	1	162188	21099	224625	1	43911	20218	66539	36934	9404	7304	18185	1	45174	41859	64858	15673	1	30909
1030.0757@5.573756	1	1	9271	2770	1	7461	8211	1	1	1	9096	1	7565	10170	3265	1	1	4675	1	1	6265	1	1	1	1	1	2668	1	9948	1	6833	9009	1	1	1	1	8603
1029.5725@5.5777907	8684	26466	83678	32035	57590	56438	67192	21355	72769	74602	75024	75483	70594	67973	36781	56705	48814	38401	27660	84627	64562	79397	39611	76635	39406	36855	27155	61042	51511	43979	50205	61372	77467	79152	42242	41070	53254
1404.6139@5.576851	1	1	11615	1	6141	1	9220	1	1	1	10310	1	5799	1	1	1	1	1	1	1	3738	2447	1	6474	1	1	1	1	1	1651	1	8317	1	10917	1	1	5664
1147.1143@5.5763874	1956	1	6662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18491	1	16475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1154.586@5.5741234	1	1	15100	1	1	1	1	1	1	1	1	1	1	1	1	1	6693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9507	14705	9580	1	1
175.0632@5.5745087	1	1	44482	32365	1	1	1	1	1	1	63979	1	69167	1	1	1	30498	1	1	1	65492	83584	1	41675	1	1	1	1	32031	1	1	52260	53229	24851	1	1	1
PE(24:1(15Z)/14:1(9Z))	1	2442816	1663072	1	1635322	2165165	1	201524	2570586	777159	1	534577	478968	1	233279	1	1	1014922	1	1	870835	1	2133723	1	1	97257	1	1200152	1	1	812166	1282605	862001	1484562	340744	1	1
625.0734@5.581407	12464	24047	22501	24005	1	4169	17801	1	1	1	17044	1	10729	1	4323	1	1	1	1	63863	5642	99423	1	10823	4765	17140	9212	1	1	1	1	9194	12733	15508	4747	1	1
1257.6191@5.5767083	1	1	10949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11471	1	1	1
835.5394@5.5966477	1	8978	64797	1	1	1	1	1	42293	27684	1	1	1	1	1	1	1	1	1	1	1	1	1	55527	1	1	1	1	1	1	1	1	49240	1	1	1	1
Indole-3-acetaldoxime N-oxide + 5.5751677	13767	45462	53919	28204	1	27606	1	1	39556	36539	79600	42383	68904	26428	1	19079	40330	1	1	1	65879	62808	1	51224	1	1	1	1	1	1	31120	53254	50163	1	24758	1	1
C12 H23 O5 S4	49216	39378	39823	41580	50901	1	29916	1	23901	1	32416	14708	23142	1	30470	1	1	1	1	288613	1	66587	1	24907	1	38134	26356	1	1	1	1	24682	24362	35648	1	1	1
772.0699@5.5819077	56251	51293	48374	81432	1	1	43250	17599	32882	17837	46072	25605	46342	1	57932	9535	13571	1	1	1	18741	125639	7999	33170	13684	48455	48278	11606	1	1	1	29204	37404	44759	17721	9436	26860
1160.6346@5.5763097	1	1	8160	1	1	1	4670	1	3871	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
904.5584@5.5794077	250974	464025	675963	524182	449548	626516	738639	261376	740935	662536	798605	778970	836511	560790	466155	459525	573377	300595	451575	579383	604250	354074	330796	796784	274935	544906	365518	536798	448066	563098	434970	814642	784162	839872	525395	437421	637690
146.9965@5.577626	74649	1	65701	1	1	56656	1	1	1	1	62454	1	55414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
437.2901@5.582	1	1	4686	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1058.6066@5.590686	1	1	9504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3620	1	1
1057.6025@5.5927076	1	33704	13672	1	23908	12703	19813	1	21262	1	19930	13792	1	1	1	1	8414	5025	1	30875	1	1	1	1	1	1	1	9981	1	6366	8596	10572	1	11591	1	1	7784
956.588@5.574065	1	1	65231	36724	1	39708	53893	25455	54021	48912	29935	51925	49391	1	1	1	50724	1	1	1	76606	21840	1	67021	1	1	20159	1	1	1	1	64055	74415	63508	89334	40531	37070
1043.5873@5.5872808	1	1	7560	1	1	1	1	1	1	5044	1	1	6575	1	1	1	1	1	1	1	1	2956	1	1	1	1	1	1	4534	1	5402	1	1	1	1	1	1
907.5738@5.564904	1	1	73279	1	64228	1	1	1	1	1	1	1	1	1	1	1	1	36631	53757	1	1	61325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
932.5893@5.5903926	42628	572231	166152	1	244370	176774	258616	63111	265425	1	275711	104259	157539	66702	1	53304	66325	88155	1	398333	122862	168989	32875	1	1	1	1	80367	60118	113409	62849	99299	99953	203992	206777	94994	58938
933.5927@5.5925508	1	1	138356	1	1	1	1	1	1	1	1	86217	1	52459	1	42984	47974	1	1	1	1	1	63976	1	1	1	23121	62815	45031	55672	52459	77136	79205	1	9518	89480	47556
C27 H46 Cl N3	1	37356	71152	1	32354	33257	23672	1	45199	30037	14671	69201	89654	14746	1	1	1	1	1	36133	148847	26800	1	174328	1	17003	15177	25345	90178	1	27782	37499	79084	42859	31467	1	1
C27 H51 N O4	23593	18808	30378	16151	31756	21742	31854	15424	24202	13231	15174	40654	37117	1	29234	17408	16969	17926	12479	17672	31627	30745	17464	30737	15015	25810	29355	15775	34809	8811	11845	27092	18048	26432	20906	18655	23643
948.584@5.5865912	1	19149	8891	1	12896	1	16736	1	5426	1	8235	5520	1	1	1	7419	1	4308	77073	1	1	83371	1	1	8673	1	1	1	1	1	1	1	1	1	1	1	9131
C25 H51 N4 O3	11641	11326	12793	1	18597	9424	20615	6668	9824	6915	9018	20031	17676	10904	1	11185	8899	14277	7748	7592	9447	12864	10384	9287	8737	11777	18310	6798	10319	1	1	9910	8259	8249	11064	11877	10624
C21 H45 N6 S3	43612	276351	242048	55576	247225	139090	74519	30078	220818	118269	143921	152157	77780	83737	19937	44921	52270	87659	40248	121302	68516	143675	103447	95644	16713	24137	39664	82665	73942	70527	90157	114218	69841	58779	98674	100974	26578
1571.1796@5.6125703	1	1	97874	1	87079	1	43268	1	45449	25409	1	1	1	38693	1	1	15628	1	1	19618	1	1	1	1	1	1	1	16825	1	1	16072	21204	1	23298	1	1	1
813.0678@5.5904827	1	48104	53376	128377	1	63923	15367	49195	74540	16281	23447	41334	53379	33090	43074	41340	44954	36459	50491	43074	1	37297	39773	46352	65328	55664	59762	33731	61564	1	64691	48100	13266	18841	33429	1	1
C37 H71 N13 O S	1	1	368210	89432	820777	1	1	85584	253817	1	135335	185069	81731	1	125532	111820	1	203790	1	1	1	1	1	190990	128118	123527	138734	154322	59618	62885	1	140534	1	1	11305	1	1
759.577@5.6334724	958535	1	4.29E+07	1	1	1	1.08E+07	1	1	1	1	1	1	1	8895569	1	1	1	1	1	1	1	1	1	9003617	1.14E+07	1	1	1	5325241	1.52E+07	2894098	1	1	1	1	1
1234.8444@5.5807633	1	29758	29780	1	48988	6294	1	1	12302	1	11588	1	6219	37969	1	1	5153	1	15537	9463	1	1	26246	1	1	1	1	36308	25776	1	35186	22907	12057	1	22350	37137	1
168.9783@5.6057706	27198	24011	12391	25482	1	1	16014	1	15780	22356	1	1	1	1	1	1	19227	1	20923	6458	23366	1	11717	1	22199	1	1	1	21437	24316	1	1	1	16497	1	14639	24644
553.3171@5.605	1	1	7694	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
910.5661@5.5977535	7148	1	4205	20883	1	9294	1	1	11938	12939	17135	7722	15339	1	28079	1	9842	1	1	1	7676	10463	8983	6691	21719	13658	17707	1	8013	1	9256	1	10555	1	13066	1	1
547.3865@5.5958776	1	1	44608	81035	1	1	1	34161	46924	1	1	1	7510	1	28685	1	30833	1	1	17873	31675	1	1	34158	1	1	43071	1	30805	1	1	1	1	26485	1	29068	1
938.5935@5.6093483	1	1	2346	1	1	1	1	1	3365	1	8648	1	1	1	1	1	1	1	1	1	1	8812	1	1	1	1	3381	1	1	11452	1	1	1	1	1	1	1
1235.3486@5.591075	1	1	17903	1	25468	1	1	1	1	1	1	29041	1	1	1	1	6660	1	1	1	1	1	1	1	1	1	1	23032	15431	1	1	1	6649	1	1	1	1
C21 H44 N4 O3	1	142126	19768	120131	15093	24541	32456	53443	27546	34149	30667	26902	31908	28165	1	22677	35792	1	31357	37133	34671	55047	40895	40823	61207	41936	52889	32909	1	21807	31247	36012	42521	1	38821	23474	42055
1164.8531@5.602666	1	1	5785	1	1	1	1	1	11527	5115	12560	4894	1	1	1	1	6590	1	1	1	1	1	1	1	1	1	1	1	1	7192	5140	1	1	1	1	6631	1
1248.8586@5.659231	1	1	12480	1	10421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1537.1033@5.5803547	1	1	31458	25724	85586	100494	1	1	325280	99773	66200	1	177891	1	8960	1	1	1	1	23032	1	84946	1	1	1	23918	1	1	1	49936	1	261535	208698	66043	1	1	1
952.5566@5.574498	41283	1	7663	1	1	8967	1	1	1	13592	7259	1	1	18441	20253	45947	1	40433	1	18497	16477	18288	11830	1	62456	15781	1	1	113484	1	1	8630	10702	11189	13714	1	41619
C27 H49 N O4	12140	12333	17815	1	14832	14015	19091	1	18284	9333	8994	23106	22140	7112	7157	8272	6880	5647	4171	13154	27941	13322	5696	28648	2980	1	9646	9819	24029	1	9353	10951	13027	11192	16449	11078	9250
1053.5673@5.591162	1	1	4647	1	1	1	1	1	1	1	1	1	1	1	1	1	3880	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11508	1	1	1	1	1
1164.3507@5.604777	1	1	9174	1	1	1	1	1	1	6780	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7089	1
441.3816@5.62037	1	1	3890	1	1	1	1	1	1	1	1	5553	1	1	1	1	1	1	1	1	1	1	1	3350	1	1	3270	1	1	1	1	1	1	1	1	1	1
1178.3657@5.6133084	1	1	4154	1	1	1	1	1	5658	1	5886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
926.5401@5.6069255	104623	106386	86643	176813	107713	145211	110736	1	126275	212336	124919	139705	161390	235208	174488	145521	187813	165454	1	124519	170001	192591	237283	161649	1	146629	117085	207673	1	155905	208539	147910	154945	142705	134885	115386	158251
538.0429@5.623743	1508	1	16542	46230	1	16166	1	1	25485	11550	1	1	11721	1	1	1	10416	1	1	1	10613	1	1	1	1	11434	23286	1	1	12411	1	1	1	1	1	1	1
843.6463@5.619676	65301	2908905	3434474	272342	1	2811230	2959552	678593	3391998	1799816	2860031	2261514	1727311	2036352	449199	1791555	1565079	2199430	1259691	2426884	1351490	353566	1705120	1596279	388781	442435	451870	2174045	1643268	1	2278774	1775780	1680685	1901303	2550212	3140915	1160428
C25 H41 O7	12171	46493	59856	6545	81146	39886	31378	1	33770	26983	39286	48986	32769	26112	18443	22484	26303	34256	27829	19919	22140	41585	24151	26992	11792	18228	32525	21484	22798	7527	31119	29791	20737	23646	14033	24418	20160
954.5714@5.6151385	1	95830	59886	1	79654	71352	90059	1	87659	70609	87674	54295	56979	1	1	1	1	1	1	147018	59591	82039	1	68481	1	25925	13519	1	1	1	40392	11589	70431	60636	1	79123	1
Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-alpha-L-rhamnopyranoside)	1	6956	10891	1	15492	12992	1	1	16511	1	10919	9165	1	9538	1	1	1	1	1	7545	1	1	1	1	1	1	1	1	1	1	1	1	1	6191	1	1	1
1539.1195@5.550503	1	1	68172	1	431435	177840	15619	1	1	1	1	1	1	58146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31525	234391	1	1	1	1	1	1
1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-dihydroxy-24-oxo-23-azaergocalciferol	1	14701	33866	1	17922	15787	1	1	19230	6939	6375	30102	20943	1	1	1	1	1	1	14772	42302	15027	1	55954	1	1	1	12224	25543	1	12649	29036	18362	22657	1	1	1
1172.841@5.6221595	1	240278	26633	1	21168	138529	31409	4722	115682	66412	58346	84549	54441	101911	1	68198	47617	1	36789	23791	42844	17386	81389	41548	1	1	1	76630	1	1	99305	1	47320	52923	47123	59421	29253
799.0525@5.617661	17305	32554	37048	57350	36141	38433	22390	1	51926	19941	34075	1	25574	29085	21372	1	26477	21670	1	1	20801	1	22025	22579	32793	1	30619	1	26902	1	30929	16939	19386	1	19886	1	1
C33 H47 N2 O7	1	16325	32823	1	13547	9868	1	1	1	1	1	25656	1	1	1	1	1	1	1	1	14905	12175	1	12534	1	1	1	9294	16244	1	1	33589	16197	1	1	1	1
1172.339@5.6183486	1	155913	19627	6096	16083	37535	13838	1	30354	80416	57928	26434	17721	107129	1	80138	56524	93074	1	6319	44355	1	96977	14770	1	1	1	23529	56588	8534	79378	15752	15283	17043	57465	22592	9504
Gymnodimine	1	12315	39294	1	36388	9965	4883	1	6909	1	6684	13514	1	4124	1	1	1	1	1	1	1	8757	1	7645	1	1	1	7654	9729	1	8839	6247	1	1	1	1	1
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1	515702	2056895	28829	1102099	436912	54120	1	319138	238445	198843	1333991	244318	118831	12527	79181	83333	24435	12470	153154	421869	431044	189640	407691	18809	32989	49226	370989	468320	65918	394728	1240468	592691	308418	216599	65333	31155
942.5212@5.609854	1	1	14807	14131	1	1	16326	1	9882	15924	7620	1	17134	13283	1	1	1	1	1	23075	14111	1	1	13750	1	14184	11035	15765	1	1	1	12083	11108	1	9419	1	1
1118.7058@5.63	1	1	3935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(24:1(15Z)/14:1(9Z)) + 5.6096344	1	153700	107560	1	134674	139042	50048	1	172586	1	88167	164781	1	1	9493	71020	1	1	26278	43675	37091	23608	216694	1	1	1	4426	1	187151	1	105751	55515	59403	69941	1	93605	20575
1305.823@5.602002	1	7782	37110	1	1	1	4956	1	1	9408	1	1	1	1	1	7324	1	1	8592	1	1	1	18818	1	1	1	1	1	12241	1	7287	1	1	1	1	4984	1
1332.8575@5.62822	1	1	53040	1	24967	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9499	1	1	1	1	1	1	1	1
1460.4879@5.632	1	1	4096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
569.2497@5.631603	1	4412	5273	1	1	1	1	1	1	1	1	6265	1	1	1	1	1	1	1	1	1	1	1	2385	1	1	1	1	4136	1	1	7654	1	1	1	1	1
C19 H38 N2 O3 + 5.6137967	121711	546713	86056	503339	144223	137862	137464	217581	120894	122577	83437	165412	1	140918	1	111396	150921	150860	130739	120478	108640	169825	217143	98261	115679	41144	146138	151510	1	115633	119073	130794	1	1	50359	112043	129181
C29 H52 N2 O6 S3	1	19633	17522	1	19544	7500	1	1	22737	9156	1	20612	17447	6475	1	1	1	1	1	1	18321	1	1	13715	1	1	1	10983	1	1	1	9203	18575	4923	1	1	1
495.332@5.636115	1	5088	7048	1	13550	1	1	1	1	1	1	5517	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1308.8578@5.5931044	1	1	102482	1	77382	1	1	1	1	12873	1	1	1	1	1	1	1	1	1	1	1	1	1	9851	1	1	1	1	1	1	7285	1	1	1	1	1	1
1280.8295@5.614704	1	1	127924	1	49680	43357	1	1	28006	1	1	1	1	1	1	1	1	1	1	1	18390	33105	1	16976	1	1	1	1	1	1	23838	28694	29731	1	6015	1	1
17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate	1	8373	9864	1	11535	8529	1	1	11713	1	1	10511	9715	3214	1	1	2759	1	1	4294	7401	5267	1	5391	1	1	1	3755	4133	1	3631	5931	10166	1	1	1	1
1272.857@5.6157455	1	1	7447	1	1	6733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6745	1	1
1434.9816@5.636219	1	1	11296	1	9669	1	1	1	1	1	1	8868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1326.8112@5.6306114	1	8174	27130	1	13763	1	1	1	1	1	1	15555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6406	1	6766	20181	1	3980	1	1	1
1159.8329@5.6279507	1	1	40792	1	42812	1	12639	1	1	1	1	56374	1	1	1	1	1	1	1	1	1	1	1	1	1	7352	1	1	1	11901	1	1	1	1	1	17359	18924
1056.1997@5.6362376	1	1	8203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2987	1	1	1	1	1
1026.57@5.638554	1	1	23362	1	1	1	1	1	1	1	1	8187	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9756	1	1	1	1	1
C25 H47 N O4	786841	318775	778977	331207	638572	375141	825675	405505	456408	225772	254149	1277078	1524751	224606	814840	376695	263180	229998	212547	321421	1089257	1041935	280393	1093921	239136	556885	568319	281956	1062327	207176	269544	583674	580309	750911	351961	391198	635986
1186.3549@5.631162	1	106295	27158	1	23798	105459	53502	1	129010	40646	55716	75406	1	56115	1	42013	25145	1	1	32282	26359	1	41083	1	1	1	1	66120	34057	10764	56755	36218	35634	14451	47122	58418	10817
1446.9763@5.63653	1	1	16647	1	6536	1	1	1	1	1	1	7899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5918	1	1	1	1	1
1285.862@5.637646	1	1	60713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8437	1	1	1	1	1	1	1	1	17716	9395	1	1	1	1	1
C23 H47 N4 O3	191349	173804	262920	70152	279872	169903	319013	142782	162728	108595	129215	408455	369789	131211	223266	157030	136563	172495	130200	113989	225371	213898	146156	203309	120789	177208	244315	119179	241928	56395	112536	162656	177360	170263	145462	173575	168714
1421.968@5.6381073	1	1	6730	1	1	1	1	1	1	1	1	5177	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1579.119@5.6050653	1	1	12077	1	1	1	6503	1	18372	1	1	1	1	1	1	1	1	1	1	19395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1042.1836@5.645	1	1	5563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1331.84@5.6136603	1	1	6362	1	3341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6448	1	1
C41 H75 N3 O2 S2	11836	73744	90644	1	1	76885	80431	29539	60257	45742	60313	43316	49688	38749	1	1	48076	42074	68112	60575	35036	41180	1	1	44041	41099	57573	61892	1	1	33747	32555	26876	1	32434	56764	1
993.5424@5.571306	1	1	4390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6453	1	1	1	1	1	1	1
1294.8314@5.5709243	1	1	7959	1	1	1	1	1	1	11788	1	1	4849	1	1	10233	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9909	4276	1	1	1	1	5406
Fexofenadine + 5.6458764	50261	381613	1546940	27959	1129062	332225	136824	10137	218255	194155	170488	694404	221678	118005	38224	107240	99764	75333	65329	161181	393705	448435	113238	413700	22060	59900	128811	267434	485313	59087	257018	713617	429072	179811	305884	124990	55829
Belladonnine	1	10169	19950	1	12811	5047	1	1	1	4670	1	11573	3250	1	1	1	1	1	1	1	9361	8960	1	11485	1	1	1	6093	12827	1	4758	17241	10526	4179	7741	1	1
794.0615@5.6344132	9243	254667	113814	1	89025	149924	94772	36502	139607	150146	116841	124312	84896	204294	1	151408	1	101199	68903	126011	120467	84199	137278	131681	1	45028	1	168895	139375	42798	116168	146096	129417	91118	156390	96843	43154
781.053@5.6240582	3466	211094	61995	1	1	1	71609	1	1	1	1	84096	71807	1	44810	1	1	126493	59276	1	1	1	130237	1	24774	1	1	1	72282	1	1	51875	1	1	1	1	1
1173.3455@5.6265697	1	192341	105799	1	71468	109376	1	1	112518	1	1	109139	62176	28609	2453	1	1	1	38114	23063	1	18702	1	37490	1	1	1	58600	1	1	1	45354	39220	54666	1	57369	1
1258.845@5.638881	1	9296	85738	1	59422	1	1	1	1	1	1	54109	18891	18981	1	1	9940	1	1	1	24922	1	6347	23814	1	1	1	45429	22149	1	8380	35617	17740	1	1	1	1
748.5728@5.65	1	1	1904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
545.2493@5.6476884	1	1	8495	1	1	3230	1	1	1	1	1	5251	1	1	1	1	1	1	1	1	5447	2031	1	5023	1	1	1	1	6171	1	1	8244	5991	1	3718	1	1
1173.8481@5.6473465	1	1	79251	1	66985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9728	1	29457	1	1	1	49080	1
1423.4832@5.651	1	1	8192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
509.3476@5.6477847	1	3582	11026	1	26714	1	1	1	1	1	2639	5695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3124	1	1	1	1	1
PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))	25217	29375	169092	1	156493	359573	1	1	355369	213459	1	164301	1	257975	1	220179	205545	1	1	165658	1	1	150664	1	1	71121	1	265961	185900	90742	165877	93287	195705	125198	224042	209693	1
505.314@5.6543446	1	10440	17044	1	18181	5162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3745	5377	1	5364	8849	3959	1	1	1	1
783.07@5.650009	1	1	95183	1	1	1	1	1	1	8910	1	162172	1	1	1	1	21775	1	1	1	11165	1	1	1	1	1	1	1	1	1	1	1	1	1	10772	1	1
848.5415@5.5953016	1	1	32881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41870	1	1	1	1	1	1	1	1
1186.8564@5.6376653	1	106966	105532	1	68228	88250	53297	1	108788	1	54687	45813	17794	48263	1	35152	1	32234	1	30535	16786	1	22399	21420	1	1	1	48554	28166	1	51717	26493	30966	30122	1	57330	1
1288.8859@5.658	1	1	21332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1437.999@5.6556005	1	1	9082	1	1	1	1	1	1	1	1	4368	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
491.3009@5.659	1	1	17083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1187.36@5.6824913	1	1	86479	1	1	1	1	1	1	1	1	1	23442	1	1	1	1	33800	1	1	1	1	1	5571	1	1	1	1	1	1	1	1	1	30089	1	1	1
C23 H55 N8 S3	1	9203	4761	1	1	1	4999	1	2470	1	5370	10425	7337	4239	3092	4222	1	3645	4228	1	1	8520	1	3770	1	3359	6129	1	2579	1	1	1	1	1	1	2258	3698
739.4585@5.6649942	1	30763	22242	42158	1	1	17310	1	1	1	1	21280	22517	28640	1	1	1	30245	1	1	1	50750	23477	1	19177	30316	1	19161	1	1	1	24214	1	1	1	1	1
1213.374@5.661	1	1	10964	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1045.2087@5.661	1	1	8607	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/18:0)	106890	429815	443924	86727	651043	205112	287818	84585	245500	114899	319637	470684	320538	204955	149617	197587	169835	248803	162584	188295	131655	263663	185321	154533	124887	157471	230490	143107	130135	77542	183197	157695	145509	183077	87635	182239	148319
842.5733@5.7326255	1	9670	24217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1238.8746@5.6606135	1	28290	22956	1	21773	9316	1	1	12918	1	8062	14414	11483	6416	1	9642	6933	20853	1	4167	1	6510	4672	3121	1	1	1	1	1	1	1	2077	1	1	1	16187	1
1200.3695@5.6790686	1	5394	46949	1	1	1	1	1	53880	1	33007	23102	1	5215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14694	1	3484	1
795.0687@5.6351714	1	1	147719	1	132904	88865	83347	1	105383	1	110019	1	72302	1	1	1	1	115428	55749	1	1	1	63221	19764	1	1	1	1	1	1	69020	19080	28166	79238	1	76462	1
1266.9056@5.6601014	1	6644	13478	1	22402	1	6125	1	5351	1	11294	19423	6389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H45 N O4	178493	182998	334198	102844	254703	189129	215754	63905	256007	126575	121997	555447	701658	94512	169293	133907	107182	70116	55396	178172	525994	360414	107601	540611	65879	156387	162194	117035	551420	67238	113248	237816	253585	326715	126388	114666	166937
947.5012@5.718541	1	1	11586	1	1	1	1	1	1	1	1	1	1	1	1	3627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H47 N O4	17958	14913	22928	7510	28574	15146	29107	12400	11634	8015	9620	32423	36516	8042	23800	13442	11977	12509	10969	8649	20905	24388	9955	20210	9494	16213	18606	8455	22886	6037	9736	16841	12424	17381	10419	13539	13679
799.6077@5.713952	2846	1	679577	28992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	191384	1	1	1	1	1
LysoPE(0:0/18:1(11Z)) + 5.671535	79137	1	250337	24600	323398	125093	93581	54023	158653	79421	146249	126808	83052	78984	52526	58651	72908	101460	94409	117330	86157	115002	73067	1	41182	54738	102597	93653	96979	22930	103298	103962	69238	78127	82286	118377	50570
5?-Cholane-3?,7?,23,24-tetrol	10312	1	11185	1	8430	6070	11002	1	1	1	1	14264	17850	1	10281	1	1	1	1	1	13113	15178	1	17407	3793	7103	7812	2900	14136	1982	2541	8802	7500	11976	4040	5036	7362
1216.34@5.673	1	1	10718	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
499.2695@5.6791496	1	1	115820	1	1	1	1	1	1	1	1	76463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	105675	1	1	1	1	1
794.5665@5.6749	1	46782	308153	1	184604	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	98369	1	1	1	1	1	1	1	1	1	1	162465	1	1	1
749.4838@5.6873937	42000	1	2755	27381	22640	1	114699	116202	1	1	30918	1	1	1	79490	31586	1	151524	84941	1	1	1	11482	1	87914	1	184867	1	13387	74783	1	1	1	1	1	137127	43625
1265.894@5.68	1	1	4873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18-OH Sulfatide	1	328499	529501	1	644115	464930	1	1	529769	280336	468923	415342	244763	1	1	159736	231762	238497	1	174312	210121	197820	254474	1	1	1	1	362971	1	1	326673	233305	195843	259606	370161	1	1
797.5329@5.690344	1	67890	200144	1	1	1	165575	1	1	1	114851	220844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	97017	154573	1	1	4736	1	1
808.0769@5.667867	1	68931	126459	1	115253	65157	76492	1	173211	52034	97727	103944	38095	63670	1	1	1	60475	1	67308	1	1	1	40212	1	1	1	81835	43106	1	83733	25112	55650	27395	104973	100445	8015
867.5293@5.7174015	5846	1	86078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5871	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57600
807.5757@5.6817484	1	1	3149359	1	1	1	1	1	1	1	2476146	1	1	1	1	1	1	1	1	1935274	1	1356934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Buprenorphine	1	12503	16640	1	25771	11804	5811	1	6056	1	13077	13594	6200	4681	3444	1	4604	8545	1	4829	1	13137	3453	1	1	2883	5061	4622	3067	1469	1	10393	7555	4741	1	1	1
C6 H11 N	56343	32188	69534	16626	37150	31096	51177	37512	36564	1	31728	31607	32754	25116	32165	25880	27572	24589	1	24507	1	64271	27255	32204	24415	35629	38820	28155	44804	1	23314	38629	23644	29955	26613	26466	35307
C25 H43 N O4	2862	23204	38731	1	26456	1	1	1	33186	17013	1	61128	75185	10766	1	1	1	1	1	22181	70370	39601	14256	73359	1	1	1	1	68305	1	1	35883	1	1	16548	1	1
827.534@5.6851373	1	6755	62059	1	1	15502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C27 H37 N3 O6	1	1	127370	1	191019	50496	1	1	1	44434	54237	1	28847	1	1	1	1	1	1	40829	40781	88663	15774	42936	1	1	1	37007	1	1	47239	1	43746	30516	1	1	1
782.0611@5.809481	32864	1	46897	52440	64397	49130	1	14288	54857	1	1	42051	1	31150	42938	1	19470	31738	25111	14335	35974	4827	37154	41612	30910	49281	30567	37668	32510	16749	1	46259	35367	54194	20005	27125	38974
1271.3468@5.622765	1	1	4051	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6512	1	1
798.5422@5.6435304	1	59252	66284	65213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59316	1	1	66694	1	1	1	64188	1	1	1	1	1	1	1	1	1
5-hexenal	87713	85188	277180	1	84426	120913	62213	43313	161890	135944	79287	1	1	45706	91162	1	51220	65552	1	65616	1	250634	45539	49561	1	205462	141079	117395	1	1	59646	124426	1	70362	53000	66361	80414
1436.9932@5.699	1	1	2292	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H45 N O4	586294	572867	1059673	343945	911624	484543	831997	354630	573066	297697	382886	1638336	1800049	297360	923055	470985	381410	419008	342617	317780	1091066	1042837	384365	1042284	383130	730174	756712	406790	1164426	230641	379274	680203	617298	804413	297246	425374	762074
1278.8188@5.6771846	1	1	23425	1	25317	1	1	1	1	10501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1306.8376@5.6857996	1	6076	12995	1	15783	1	1	1	1	1	1	1	1	1	1	1	1	2203	1	1	1	1	1	1	1	1	1	1	1	1	1	4570	1	1	1	1	1
1259.8494@5.6425667	1	1	5692	1	1	1	19461	1	29442	1	24545	1	1	1	1	1	1	1	1	13469	1	14116	1	1	1	1	1	1	1	1	1	1	1	15723	1	14405	1
C26 H35 N7 O2	145980	765079	1025712	30702	1181571	299249	194351	91888	227694	211374	321815	372648	143725	135885	56132	120839	145157	187261	121223	230062	165393	464754	102604	230906	47461	102798	202411	183339	328274	43994	221632	418834	173632	145236	316387	289676	74463
1262.8754@5.6864004	1	6133	42934	1	54854	1	1	1	10836	1	14726	6958	4741	1	1	1	1	4165	1	1	1	6141	1	1	1	1	1	1	1	1	1	1	1	1	1	13574	1
835.0809@5.708028	7982	1	35543	81880	34647	15360	27141	28939	37788	27578	15630	1	1	4968	1	1	25892	24624	24343	1	25179	33747	26828	25237	39566	30038	43503	26826	32474	9563	28354	1	1	23211	25342	33702	22715
1044.1997@5.705082	1	1	7095	1	1	1	1	1	1	1	1	3823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
918.5688@5.631685	1	67838	41846	43157	1	41701	1	1	50421	1	22979	1	1	29077	1	1	1	1	1	1	1	1	1	10910	1	1	1	11231	1	1	1	1	1	1	1	1	1
1270.8353@5.705	1	1	4006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1437.4934@5.705	1	1	2828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H41 N9 O2	1	10339	20041	1	16452	6889	4688	1	5320	6446	8060	7312	1	1	1	1	3437	1	1	5663	4143	12105	1	1	1	1	5049	5448	8565	1	6504	10502	1	1	8075	6847	1
734.5648@5.729747	1	1	196778	1	1	1	1	42653	1	1	1	94560	1	1	1	1	1	1	92052	1	1	29613	78282	1	1	60040	1	1	1	1	1	86095	1	1	1	1	34768
336.2663@5.6737914	1	4220	4403	1	7789	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1044.7029@5.707	1	1	5885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
914.5686@5.7162223	1	1	30589	1	68833	1	1	1	1	1	24246	1	1	1	1	1	1	41800	1	1	1	1	1	1	1	1	1	1	1	1876	1	1	1	1	1	1	1
1232.8291@5.614029	1	1	50894	1	44483	26311	23233	1	37945	1	32377	25436	1	1	2411	20290	1	1	23368	1	1	1	1	24083	1	1	1	1	1	1	1	7934	6216	18695	1	1	1
1424.9934@5.688225	1	1	4366	1	4884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
562.7315@5.7004576	1	8870	14529	31457	1	1	1	1	1	1	1	1	1	1	1	1	1	3259	1	1	1	1	1	1	1	1	1	1	1	1	1	3297	1	1	1	1	1
562.3963@5.705241	1	25778	30463	63442	20467	30010	1	25530	40229	20064	1	1	1	1	18507	1	1	1	1	1	1	1	1	18966	34701	23803	37396	1	1	1	1	1	1	19512	21538	26843	19596
465.2844@5.711231	1	1	36094	1	37121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H43 N O4	216113	103225	294793	98738	202164	103836	198419	98940	156321	64038	70571	366272	534472	63557	219895	92299	67840	56122	60935	102665	390968	363283	66213	454474	68151	159509	136062	92795	335538	53572	80424	257128	158558	249130	72468	94766	222490
1237.862@5.6580563	1	1	18613	1	42135	1	1	1	15357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4377	1	1	1	1	1	1
952.5583@5.6242895	1	1	9357	1	1	1	1	1	1	13544	6630	1	1	1	40629	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	63911	1	1	1	1	1
515.2631@5.7328444	1	1	9092	1	11856	1	9596	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H14 N4 O12	1	29645	39901	82317	1	1	1	1	47622	1	17368	1	23526	24702	1	18025	1	1	1	17529	24740	1	1	24616	36801	25834	44454	24022	31983	17650	1	1	1	1	1	1	22019
955.505@5.81734	1	1	13606	1	1	1	1	1	1	1	1	1	1	1	11243	1	1	1	1	1	1	12654	17029	1	1	1	1	1	1	1	1	1	1	10228	1	1	1
772.5806@5.6621075	1	1	181281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	329103	1
872.5581@5.718	1	1	19041	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1260.856@5.678267	1	1	11558	1	15909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4853	1	1	1	1	1	1	1	1
1210.8477@5.6803894	1	1	11712	1	16747	1	1	1	1	1	1	1	22092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
865.5359@5.6787786	1	1	74468	1	1	57321	1	45406	79889	1	87257	1	1	1	24904	1	40116	1	1	1	1	1	1	1	1	1	1	25310	1	1	1	37274	1	1	40600	1	1
435.2746@5.7212057	1	4792	6253	1	9141	2085	1	1	3338	1	1	4263	3097	1	1	1	1	1	1	1	1	4924	1	2371	1	1	3566	1	1	1	1	1	1	2778	1	1	1
LysoPE(0:0/16:0)	118338	415222	605034	91802	773630	303882	313577	92278	336153	173962	330842	487843	335395	258127	189412	222185	227131	318231	235455	223686	187305	377283	218479	233610	143762	183204	291444	213098	193514	77641	254711	256804	198933	239505	95240	184559	206910
539.2647@5.718231	1	1	18630	1	12721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C39 H43	1	11800	9647	1	14404	7371	4367	1	7621	1	5474	10264	6464	7529	1	4170	4048	6577	4199	4289	1	8746	1	4524	1	3603	6048	4836	1	1	4174	6116	1	4050	1	2832	3239
C23 H31 N9 O4	4611	8639	13001	1	1	7419	1	1	8830	4815	8056	12048	8223	6638	6949	11346	7414	7939	7967	1	6027	11584	5573	6701	5850	6322	1	6491	6739	1	6569	12312	1	6926	2589	3788	4685
552.7184@5.719266	1	1	11815	35803	1	13951	1	1	26088	1	1	1	8073	11192	10515	1	1	7813	10916	8262	1	10631	11891	1	19239	1	17896	10673	1	9031	1	1	10328	1	9185	13134	1
907.5171@5.729	1	1	13552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
557.275@5.728152	1	1	33258	1	40126	1	3986	1	1	1	1	6658	1	1	1	1	1	1	1	1	1	26524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H41 N O4	35782	31406	63441	18343	50776	32938	30569	8746	46470	21904	20327	95892	151782	1	30799	16944	15479	9901	6819	38051	112472	73856	13914	123968	9459	23356	29323	18699	113860	13049	15920	50029	44417	59334	26632	1	28855
393.2875@5.727985	1	23717	38934	1	1	1	1	1	12425	1	1	48623	69145	1	1	1	1	1	1	1	64422	23632	1	78542	1	1	1	1	38123	1	1	28063	28158	1	15579	1	1
C22 H43 N O4	15462	11678	19730	5304	20708	10968	14276	6598	9136	1	1	27490	30044	1	19128	8355	1	6577	7831	4599	20447	24002	1	21981	1	10820	14210	6455	23876	3427	6927	13477	7985	13915	1	1	11427
342.2878@5.6984196	1	1	26061	1	1	25776	31615	1	1	1	1	27093	1	1	1	1	1	1	1	1	1	1	1	1	1	178051	1	1	1	1	1	1	1	1	104152	1	1
C24 H33 N7 O2	4084	10333	27330	1	27524	6706	6804	1	6904	1	5326	7550	4660	5257	1	3649	4260	1	5878	5765	5009	13829	1	9273	1	4645	1	1	5404	1	14750	10390	3496	28832	1	5087	1
PE(O-18:0/0:0)	1	6432	7967	1	36610	4226	6146	2307	4476	1	5817	1	3850	3588	1	1	3647	4432	1	5330	1	1	1	1	3417	1	1	1	2184	1	1	5054	1	1	1	3974	1
87.0684@5.751166	1	1072292	925583	1	839518	1044595	1	1	1	1	1	940275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H39 N O4	20869	16205	39611	8593	18251	12825	12599	1	22054	5146	9962	141103	41320	15891	42457	6288	4165	8253	8948	19727	85714	31417	13575	57686	1	14136	19171	6993	38819	4871	8556	22557	15164	4438	1	1	29672
717.566@5.703049	1	1	12189	1	73803	1	29741	1	1	1	1	1	11674	1	1	1	2739	1	1	1	1	1	1	1	1	1	1	1	1	6645	1	1	1	1	1	1	1
314.256@5.7510114	1	13518	7656	20857	1	1	10421	1	1	1	1	1	1	1	4243	1	1	1	1	1	1	1	22608	1	1	1	1	1	1	1	1	1	1	1	1	1	1
clavirin II	1	12862	48607	1	66957	6344	5754	1	8282	1	1	25486	1	1	1	1	5485	1	1	6788	1	3928	1	18921	1	4017	6914	12591	23588	3693	1	4467	1	3224	2473	1	1
341.2563@5.7568197	1	5601	9976	1	9704	7117	8892	1	1	1	1	1	16274	1	6675	1	1	1	1	1	1	1	1	11138	1	1	8224	1	5707	1	1	1	5795	1	1	1	1
C27 H50 N5 O5 S3	1	1	23670	1	36179	17629	1	1	1	6772	8095	9819	24469	1	1	5411	1	1	3239	1	31953	34443	6724	9290	1	1	1	1	9947	1	14026	52561	35090	14094	18328	1	1
5-Oxoavermectin ''''1a'''' aglycone	1	8354	4383	7318	1	6622	1	1	1	1	5237	5763	1	3912	1	6851	1	1	6964	7750	1	5676	1	1	9166	4512	1	1	1	1	2602	4276	1	2654	1	4388	3436
663.412@5.761808	1	1	7574	1	1	1	37236	1	1	1	1	1	1	1	10545	16272	1	25653	1	1	1	11974	7382	1	1	1	1	1	1	1	11632	1	1	1	1	31502	26458
422.7695@5.855821	1	1	1924	1	1	1	1	1	1	1	1	1	4647	1	1	1	1	1	3342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H39 N O4	187776	96186	271280	93769	190001	86310	190125	80236	85525	45449	65111	307043	570084	46515	206101	91587	64081	63560	54603	78001	412886	290331	63449	426503	61075	161966	160557	57913	342580	61382	70710	192422	173421	180380	68552	73499	158641
400.2544@5.7805333	13602	1	27801	45214	1	1	1	1	1	1	20671	1	1	34464	1	1	1	20970	16570	1	1	44395	1	1	1	1	37846	18588	1	1	1	1	1	1	1	1	1
789.5528@5.725651	1	24263	139769	1	1813375	1	1	1	1	1	1	118671	63778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23250	1	1	1	1	1	1	1	1	1
C21 H41 N O4 + 5.770975	184938	108037	283351	116446	235382	108766	169907	82658	147882	64198	89483	401048	561674	60875	267660	94559	72778	84475	73325	88959	456241	315187	69406	491916	82968	213851	203701	93477	495364	67649	93848	180512	176389	217026	65010	80107	224051
541.2797@5.7577353	1	1	8362	1	12392	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
711.4469@5.780929	1	1	13667	1	28192	1	11852	9951	1	1	7557	8167	11105	1	1	4354	1	1	1	1	1	11649	17183	1	1	1	1	1	1	8175	1	1	1	14379	1	11881	7671
136.0247@5.8195157	1	1	26444	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
455.3242@5.78255	28055	1	5086	1	7093	1	21840	11829	1	1	1	1	9371	1	17534	4578	1	12456	3576	1	1	16684	1	1	1	14332	17218	1	13849	4780	1	1	1	1	1	13484	20113
533.2744@5.764907	1	1	8705	1	10648	1	3151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
576.7371@5.791368	8512	18666	10336	19413	9926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6418	3228	1	1	1	1	12278	6573	7731	3281	4340	7560	1	1	1	1	7348
783.4828@5.784205	1	23088	9801	25442	16007	18776	1	1	1	1	10021	7491	14554	18977	1	1	1	1	1	1	1	25048	14721	10008	1	12494	1	1	1	1	1	1	1	1	1	1	1
C33 H65 N6 O9 S	76182	1	7682	50462	30634	1	105054	133573	1	1	27302	1	7517	11143	122500	36452	13798	280540	110564	1	1	27476	32989	1	171464	73307	288187	1	20267	132827	1	1	1	1	1	136815	137836
C21 H37 N O4	12419	26166	21789	8805	14350	11373	10308	1	11954	1	4950	37766	49577	1	1	1	1	5555	4406	8916	61096	28624	9791	55462	5824	15729	15292	9941	47356	7309	10548	28278	27525	18979	12748	1	13682
131.0944@5.8056297	1	64901	108251	1	1	54315	1	1	44592	1	1	1	1	1	1	1	1	1	1	1	1	81210	1	1	1	71579	44947	1	1	1	1	37269	1	1	1	1	1
137.0476@5.814651	1	22594	30892	1	36383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
557.8497@5.802	1	1	2438	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
421.8748@5.806	1	1	4091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Indoleacrylic acid	168139	1215156	335401	233719	302779	386494	283565	143861	303662	364420	527368	410321	366390	229379	142435	289215	303842	1	1	385495	211396	151259	1	1	1	1	1	1	1	59700	1	1	1	1	1	1	1
623.8395@5.807	1	1	7095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.8526@5.807	1	1	7811	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
332.2098@5.805378	1	9648	5493	7462	1	5452	8102	1	1	3517	1	7630	1	3380	1	1	7864	1	6379	7995	1	1	5736	1	4062	9072	5706	1	1	1	4519	4025	1	1	1	1	1
215.9154@5.81	1	1	41979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
419.8769@5.811	1	1	13390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
351.89@5.812	1	1	12869	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
217.9131@5.812	1	1	12715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
962.574@5.814	1	1	2312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
798.8217@5.815	1	1	2736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
283.9029@5.816	1	1	5132	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
975.5878@5.821106	1	1	6695	1	1	6859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1994	1	1	1	1	1	1	1	1	1	1	1
921.6126@5.816	1	1	5100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H24 N O10 S	3550	25474	21076	11957	14180	29783	14842	1	25719	38424	68155	41927	38618	14376	5344	22142	24045	6797	10825	49667	15625	9075	7947	57643	11675	14887	7749	26490	10116	1	18257	9773	31138	1	15613	1	3900
908.1042@5.819866	1	1	4608	1	3092	7001	1	1	7427	4699	1	1	1	1	1	3276	2798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
628.3451@5.8304048	1	1	2743	1	1	1	1	1	1	1	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	1	1
955.1066@5.8285484	1	4499	5291	1	3534	1	1	1	1	1	6551	6825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2814	1	7394	1	1
942.0969@5.831553	1	1	7110	1	1	1	4525	1	1	1	1	3217	1	3981	1	2948	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2667	1	1	1	1
907.5991@5.8302107	1	1	11536	4310	1	10678	1	1	10909	8022	1	1	1	1	1	1	1	1	1	1	5981	1	1	9821	1	1	1	7569	1	1	7246	1	7433	1	6083	1	1
C6 H7 O5	1	9485	15886	1	18449	1	1	1	1	1	8962	1	1	5023	1	1	1	4348	1	1	1	10862	1	1	1	1	11057	1	1	1	5439	8263	1	1	1	1	1
627.8429@5.828968	1	1	4005	1	1	1	1	1	1	1	1	5965	1	1	1	1	1	1	1	1	1	1	1	5298	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 N2 O10 S5	1	14204	16939	7181	9948	23404	10756	1	22249	24214	33002	24057	18146	12857	1	11518	14568	6321	6086	20331	11944	1	9328	24408	5980	1	4201	16794	9120	1	13799	11416	20806	5857	15230	6388	1
954.6036@5.8253508	1	1	7350	1	1	11105	1	1	14477	9508	8678	1	6403	1	1	1	1	1	5861	6245	4722	1	1	1	1	1	1	6260	1	1	1	1	1	1	1	1	1
C10 H10 N3 O9	16241	36047	45454	25417	43407	48961	41412	15996	42190	52166	96929	66509	58289	30523	19480	38377	42183	22702	27739	81762	30144	35918	22747	62463	27199	33314	23518	36918	19594	6533	32103	22282	44730	16274	25092	16374	14121
C10 H8 N4 O4	92725	195254	237650	134105	200722	284562	196955	91207	247266	294683	521004	362919	331005	162306	94429	189061	209200	113874	126535	443976	158440	190295	110493	381446	134030	163565	114674	205101	109414	30377	180451	128400	243971	85551	151255	92949	78153
1033.6464@5.834314	15796	24324	54495	20671	44733	73172	44983	17229	72215	75304	93874	73925	60325	43399	11092	42790	47550	24930	27294	74387	39747	22770	27635	61478	15555	17438	12130	53389	27729	5272	45693	31803	56965	20650	52875	25849	12758
C23 H8 N2 O13	8459	18457	20450	11788	21057	24182	19959	8032	22167	25704	40360	31102	26809	13708	7746	17066	19206	11792	13775	35876	13222	15636	11289	26946	1	14607	11523	17830	12540	2953	15783	13143	18492	1	14425	9590	7813
C10 H12 N2 O14	54069	96601	132839	80557	116637	160719	118041	51542	141906	154231	249760	184392	170919	91288	57900	112361	113158	69400	76108	213124	84703	98481	66822	174255	75229	92580	71073	110762	63848	19640	104115	78617	133385	56528	82526	53331	49606
920.6101@5.8287635	1	1	4112	1	1	9701	1	1	15558	10990	1	11350	1	7362	1	1	1	1	1	6038	1	1	1	7912	1	1	1	9712	1	1	6478	1	6553	1	10256	1	1
C23 H6 N3 O8	11990	23528	25668	15927	25380	27723	23111	9840	27337	30941	51635	36523	32724	18539	11934	21717	23595	13495	13975	46667	18928	22314	12600	33947	16090	19527	12719	22282	11688	1	19934	15325	26459	10008	15756	10473	8405
663.7897@5.8360615	1	3069	4896	1	1	1	3622	1	7715	5515	8458	1	4867	1	1	1	1	2332	2199	1	3194	1	1	4973	1	1	1	4663	1	1	4777	1	4220	1	3998	1	1
1075.6187@5.8302174	1	1	4198	3009	1	1	1	1	5188	1	5289	1	6606	1	1	1	2737	1	1	1	1	1	1	6575	1	1	1733	3357	1	1	1	1	1	1	1	1	1
1101.6317@5.831313	1	1	9696	1952	7310	12892	9142	4381	12751	1	18956	14204	10916	1	1	5566	6229	1	1	1	1	1	1	10526	1	1	1	8414	3536	1	7602	4527	8215	1	10092	5047	1
398.0436@5.833098	1	1	2574	1	1	1	1	1	1	1	6656	3975	1	1	1	1	1	1	1	1	1	2640	1	1	1	1	1	2078	1	1	1	1	1	1	1	1	1
1007.6298@5.8353066	12480	9841	33455	14064	13540	17946	21502	8271	16603	1	1	50255	23971	1	15684	20666	1	7863	8905	1	19933	18853	10457	41313	19821	27626	16438	24279	14964	6372	12566	18436	27428	13505	7196	1	1
514.8062@5.831971	1	1	8366	8354	4531	9665	1	1	1	7607	9801	14962	10826	4647	1	1	5580	1	1	1	4950	1	1	13268	4182	1	3858	5788	1	1	1	1	7188	3663	1	1	1
921.1118@5.8219433	1	1	15044	1	1	17288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
515.3081@5.8251176	1	1	4903	1	1	4286	1	1	1	4092	1	7960	7801	1	1	1	1	1	1985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H8 N4 O19	1	6301	6016	1	6044	9113	6341	1	6500	7625	14233	8621	7870	3824	1	1	5646	1	1	11167	3311	4785	1	9052	1	4067	1	6604	1	1	1	1	6566	1	1	1	1
C23 H10 N O18	7238	14120	15846	11200	16697	19358	17096	6910	18910	19311	28540	23947	21482	11848	1	14265	13840	8564	1	25788	9996	14232	7637	21714	10408	11863	9576	12982	7929	1	11200	9473	16217	6372	11347	7641	5791
650.7829@5.8270373	1	1	2594	1	1	1	1	1	1	1	1	5305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
791.953@5.826739	1688	1	2297	1	1	1	1	1	1	1	8056	4520	1	1	1	1	1	1	1	4633	1	1	1	3642	1	1	1	1	1	1	1	1	1	1	1	1	1
879.5252@5.829118	138821	1	26173	38340	214998	1	1	1	1	1	53710	1	1	34590	103800	40904	47597	29502	45963	1	1	1	23759	2161	68466	101402	133686	1	19002	1	29153	1	1	1	1	1	1
PS(18:0/20:4(8Z,11Z,14Z,17Z))	341688	5268	76564	91535	437209	67351	97570	108246	11808	7300	97837	67732	42813	109741	302323	109593	75400	136743	100828	39697	1	1	86794	12976	180506	1	374576	38821	57160	125676	83757	9759	25565	78880	43610	92828	99906
450.7538@5.8311276	42819	1	7298	11397	192247	1	1	1	1	1	13577	1	7238	1	31161	1	1	85028	72590	1	1	122991	1	1	65514	32056	36645	1	1	6736	1	1	1	1	1	1	1
Nap-Ile-OH	6663	5933	5513	1	6141	6013	6168	1	6262	1	7929	1	1	1	1	1	3470	5295	1	8543	1	1	1	1	1	1	1	1	1	1	1	1	5204	4696	1	1	2551
C20 H3 N O20 S2	8270	1	11410	1	10910	13048	10363	5558	11073	13899	21403	12556	12281	6201	1	7899	8021	7807	4812	23260	7870	19825	1	13925	1	4812	1	9525	1	1	7845	6336	9898	1	5719	4580	3982
817.8513@5.8368354	1	1	3622	5006	4218	1	1	1	1	1	1	1	1	1	1	1	1	1	2339	4964	1	1	1	1	1	1	2081	1	1	1	1	1	1	1	1	1	1
675.3673@5.8394284	2041	1	2507	1	5111	3867	1	1	1	1	1	5251	1	1	1	1	1	1	1	1	1	6838	1	3560	1	7054	1	2164	1	1	1	1	1	1	1	1	1
C23 H2 N2 O16 S	1	5195	5503	3637	6716	1	5509	1	5380	5215	9734	4916	5683	4013	1	4154	1	1	2882	13689	1	13105	1	4139	1	1	3343	1	1	1409	2895	2995	1	1	3986	3163	3127
865.8623@5.833746	3562	1	5376	1	5324	1	4340	1	1	1	1	1	4264	1	1	1	3502	1	1	7713	1	9210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1051.4933@5.835	1	1	2567	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
781.5596@5.832357	1	1	826868	480421	1	1	1	1	1	1	1	1	1	1	521057	1	1	1	1	1	514709	1	1	595979	604972	835882	629954	494667	455319	643277	526670	588011	1	703126	1	1	752475
D-myo-Inositol-1,2,4,5,6-pentaphosphate	54601	59456	68626	39926	75393	46862	61244	38375	54871	51439	87805	58381	61887	42336	41963	42973	40006	44614	37314	117658	40072	122768	34270	45987	32803	36822	38718	32845	28198	23600	39246	40699	44206	42801	33835	37105	36137
661.9@5.8357377	1	1	5317	2945	1	1	4706	1	1	4603	6131	1	1	1	1	1	1	1	1	1	1	8458	2391	1	1	1	1	1	1	1	1	1	1	1	1	1	1
606.8838@5.833716	4880	1	6067	1	7596	1	5288	1	1	4535	8033	1	5872	4251	3608	3704	2980	1	2782	11294	3205	13147	1	4724	1	1	1	1	1	1	3491	1	1	1	1	1	3143
444.0038@5.835	1	1	3055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
103.9848@5.836444	72819	86618	93402	56376	93084	74951	82946	53259	77427	71999	119831	84100	88568	60732	62037	61231	61511	65700	53078	142884	61884	141639	53301	65872	47210	60153	52412	55152	40970	1	57541	61269	59774	64849	51817	53036	51089
C27 H3 O22 S2	13665	1	14442	8683	12976	12824	15320	10328	11731	12871	18889	14261	14486	1	1	1	10890	1	7275	24203	1	22125	7700	12008	8970	9559	8841	8378	1	6684	8814	10327	10258	8749	9061	1	6934
C8 H4 O11 S	60095	69519	84263	41401	82895	56194	73047	41005	59648	56591	98887	63132	71208	47831	47917	48192	46192	51268	34214	123505	48751	135523	38529	50031	32661	41603	36472	33682	28067	20841	41103	46812	46497	47862	37272	37753	37018
C21 O10 S	87378	101873	126158	60099	126082	88077	108225	59680	95648	86736	156144	102002	108810	67675	71564	69164	68551	77008	55837	192069	69681	212840	54496	74635	50558	67947	57438	52260	45031	37042	66841	69874	70481	73540	57540	60977	54983
946.8208@5.835306	13034	10444	10984	1	14534	10488	12195	1	10741	11428	11887	1	13189	11062	1	1	1	10177	9469	15375	1	18493	1	1	1	1	11231	3856	1	1	7679	1	1	9019	1	7965	8640
C15 N2 O19	61867	70367	82305	44100	84603	61539	73168	46089	64723	60560	103050	67925	74521	46965	48493	44920	47370	50264	37051	129908	45667	146945	39597	52505	34865	46184	39985	35497	28756	27347	44350	45082	48650	49698	39302	41063	37334
803.838@5.836441	25132	23407	27127	1	28153	21832	24131	19100	24097	21697	32941	1	25184	18820	1	18475	20217	19697	17871	39826	22067	38726	17016	19538	17250	17620	17306	15942	16012	15195	20482	20197	19577	17829	18176	16139	16855
C22 H2 N O21 S	42525	47808	56330	32746	57636	41950	51945	32990	44994	39452	67956	43920	51634	35118	34728	32412	33193	36020	30038	87013	31731	99785	27129	38135	24060	32929	27000	27896	21400	19479	31339	33822	36383	36362	29557	28967	28531
781.0538@5.8301435	1	1	29279	1	1	1	1	5826	1	1	1	1	1	17429	1	1	1	1	1	1	1	1	18334	1	1	1	1	1	12622	12771	1	1	1	1	1	1	11918
89.9695@5.836105	1824967	2103151	2395836	1386194	2375836	1770860	2125568	1354583	1945709	1824260	2782092	2018940	2151518	1462354	1513506	1541645	1481301	1628699	1243853	3377884	1547905	3522630	1286360	1592884	1165289	1430294	1324590	1240374	993568	817519	1463771	1525717	1559582	1591510	1302519	1292900	1253381
C22 H N2 O24 S	9525	12619	14242	1	14041	9991	14345	1	10631	10327	18635	10118	12975	1	8657	9149	1	7244	1	21998	1	24445	7077	8349	1	1	1	7335	1	1	1	1	1	8018	8139	7412	6296
C7 N O6 S	4184981	4949554	5667857	2990070	5781117	3878531	4997174	2921856	4468128	4005992	6676019	4585920	4909934	3203565	3294130	3361806	3186922	3558857	2618161	8359782	3356787	8946429	2716978	3501362	2424264	3105594	2831982	2609212	2039579	1697945	3151672	3265194	3385689	3533987	2764599	2848971	2693107
C8 H2 N O6 S	259183	303063	360039	181893	371531	244855	317945	183135	276996	252795	434625	292038	304895	198092	204240	209100	199517	226173	162639	540413	208874	587881	171917	221739	146979	194568	171254	157495	124003	100669	197979	203936	210916	221371	168688	171898	171025
484.7465@5.833539	19229	1	46826	31506	30597	1	1	1	1	1	12500	1	1	26860	29264	6787	8468	12326	25720	1	1	1	28889	1	36328	41142	52059	1	1	1	1	1	1	31895	1	1	1
C39 H44 N10 O	1	5657	6043	1	5776	4744	15830	1	6428	4298	7568	4759	1	1	9129	1	3597	4212	1	8850	1	10591	1	1	1	3703	1	3301	1	1	2980	3670	1	1	1	1	14202
C8 N2 O S	105796	127144	142665	77968	143306	105516	129452	81432	113985	107769	175642	117368	128871	87245	91741	92260	88553	90611	72215	209214	93462	216370	72806	97448	68713	84138	78657	70737	58944	47594	86341	87453	87316	92470	75031	73186	73015
C14 H2 O8 S2	618986	708910	808052	442493	824931	619804	725673	436309	649540	605555	1006357	665153	722460	494796	499931	479992	485314	520819	394845	1213744	484725	1291641	428654	518306	353772	477021	414815	389011	312056	261840	467352	486284	488993	517124	403984	408369	394666
C4 N O4 S	1317451	1526779	1743240	975097	1739636	1272338	1541872	961288	1399047	1274763	2005122	1442811	1531331	1026661	1060242	1084933	1031282	1162012	870510	2515177	1081303	2668460	866984	1112512	795701	983228	909400	846842	684728	579213	1029478	1052368	1091421	1118754	893838	907727	860057
C14 O13	95374	107868	129711	63467	126859	94026	113156	63125	100102	89650	147897	100623	109161	69550	74130	75752	67447	76838	57840	199160	72016	216331	57380	76021	51625	67922	60562	54379	46306	35720	69484	71794	72206	75176	62114	60841	54152
C7 H2 O11 S	404593	481652	541151	296106	557506	399418	483392	286826	426249	388583	622338	431449	469747	308819	317846	322677	304610	345181	255578	789342	319155	824162	263696	334452	237923	293484	268738	255782	199930	165097	300509	314965	326666	331081	263392	260634	253496
C18 H41 N7 O4 S2	21775	52731	43273	16695	31435	36259	34433	25316	39144	32014	39322	32543	28994	27146	13221	18438	21033	20513	20638	41085	26108	32051	21459	26145	11012	15296	1	23743	20543	14361	26107	27139	26839	28478	34212	27322	13726
C20 N2 O23 S	21056	23795	26512	17102	29406	23243	26121	16127	20862	21211	33813	20871	26801	18424	17162	17322	17744	20457	13354	43098	16211	50088	14768	20683	16189	17506	14260	14453	11201	10876	17451	18662	16487	18936	13322	14852	12539
807.5757@5.8332844	1047684	1461206	2143311	684437	2477754	1795764	1895380	1184835	2070289	1490585	1902571	1564522	673322	1496038	688452	1361631	1313223	1460970	1020741	1	1092853	1169802	1165511	1059745	560123	656209	669870	1197361	1009503	871524	1361941	1197789	1162642	1328061	1591977	1659066	868923
C15 H2 N2 O14 S2	340411	399837	440936	256585	466394	325055	406932	255906	367761	329339	540112	374004	395626	266431	280291	272813	267718	290956	225217	681308	272925	749258	234399	286456	212328	254910	238891	221052	179979	162838	265546	270563	277306	291423	228051	233790	221128
769.8438@5.836267	148523	161851	177116	116394	187478	133812	165635	108201	147886	137240	216389	155629	160632	115795	121603	120435	115523	122746	97520	278286	117875	300031	103229	122687	97119	111003	103255	95962	88412	78201	115200	118089	117943	115682	99467	102898	98858
C6 H2 Cl3 N2 O3 S5	35850	59391	53269	18942	36196	38998	35206	55946	47616	42732	46463	37680	34132	30114	16559	24636	24833	20562	21559	1	33009	34687	27454	28133	10584	15754	13062	30907	26381	12078	33938	34750	32722	28330	39904	26438	14133
C12 H2 N2 O12 S2	578192	672424	753458	422890	775783	527513	673385	421244	605882	553439	892193	627746	667487	446337	461118	454948	440176	492270	368907	1135954	467000	1238439	393620	483326	344506	440241	403598	369887	303221	266686	437519	463810	464907	489561	380800	394870	376687
C22 O19 S	11912	16231	15499	1	17342	13286	14606	8770	11306	11804	19645	12445	13874	9217	10409	8986	9190	1	6895	23120	9100	29093	7197	1	8032	9410	1	7046	6006	1	8112	9620	1	8746	7919	6808	7400
849.5468@5.8305397	305508	210675	436881	273647	409150	242734	422586	1	290054	1	1	356436	540911	209842	282964	195271	161823	224834	1	1	348069	56844	242172	236319	1	467311	329305	312738	169759	370045	208815	250220	194149	293863	123944	174889	253812
850.5503@5.838822	1	139304	267038	187026	282898	155328	1	1	187687	9613	133822	219551	1	143472	207083	121439	114179	183424	1	70703	1	1	159563	156731	1	1	1	1	111128	1	134013	156665	128570	191699	84706	118992	163886
875.5626@5.831394	563416	42292	1211183	394093	1143836	1050260	951221	1	1182421	887767	1118002	902374	759945	799956	1	1	661645	747089	530554	1	692351	736650	631045	625801	291249	326453	1	670208	562922	433096	785230	737501	711970	731324	905456	446345	458349
C18 N O19 S	248328	291544	314813	195030	331905	236783	296973	181958	262199	237654	393269	264578	286153	196723	202946	204681	192245	210182	166801	505889	197634	544752	174346	210165	159676	194607	174100	166618	137534	123822	195558	199732	205253	205934	168604	175047	165982
912.8277@5.835847	11343	10662	11875	1	13219	12526	12497	10315	11017	1	13658	1	12430	8568	1	1	9108	1	1	16612	1	20090	1	10898	1	1	1	1	1	1	8398	9372	1	1	1	10677	1
C21 N O21 S	197890	222822	235790	154747	259008	188956	229211	146151	202402	188459	304827	201969	212549	156944	162072	160988	152674	170403	136194	381442	159426	416895	134085	168382	127474	151495	135687	131857	110881	100171	156116	161489	160460	163426	134804	141196	134450
448.7721@5.8371835	7318	15052	19307	8627	1	1	8784	1	10563	10221	15716	8859	8008	8884	1	17944	20583	1	6703	7552	6512	1	1	1	1	1	1	6481	1	1	7430	6507	1	7778	1	7409	1
777.4445@5.8350344	1	1	5270	1	1	1	11071	17658	1	1	1	1	1	1	1	7391	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6826
C21 H2 O26 S	175264	203635	219403	139478	227270	165460	196792	138305	179658	170900	272446	185099	203401	139797	145639	148661	142114	150593	118823	342687	146670	373450	125315	154151	116055	136605	128397	116773	98151	91308	137768	141196	141917	143822	120325	123687	119298
768.0466@5.837	1	1	8591	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H2 O10 S	6433	6382	9081	4480	8717	5948	1	1	1	6190	11074	6708	8100	1	5603	1	1	1	1	15998	1	19470	1	1	1	1	3855	1	1	1	4703	5162	4185	4488	1	3625	1
943.5493@5.838889	37561	166290	215535	34237	108801	159723	101256	1	205158	141124	184954	136908	115108	133320	1	1	88274	65071	1	176319	107864	128403	101387	98485	18388	30655	1	103307	86287	66987	126302	116412	110589	121740	144376	68071	70185
847.5316@5.8262196	92008	145451	176898	111225	192893	13359	99191	247201	143468	410027	103751	140367	137271	154757	124306	118183	114796	1	321944	115690	1	128836	123072	91499	348384	68632	58813	77569	70035	59555	14009	96923	99252	108091	68016	98951	83912
Tylosin	1	22802	31679	18664	1	24048	1	1	24810	70863	29224	24805	25074	100652	110774	84534	1	49808	44617	23374	15512	1	23151	13552	18284	59781	74408	13670	4488	1	14771	15828	14067	24123	49350	1	1
905.8185@5.8362403	89736	97540	100269	73624	109350	81017	103990	74110	91614	86881	127689	91857	99807	73612	73168	74321	68597	75935	63640	155987	70014	172931	65033	76418	60229	69706	62517	61641	57409	44844	70642	71951	74467	73487	61470	64507	67731
837.8311@5.8359976	120881	129552	131102	92878	147672	112346	132626	92147	119405	113261	170353	121008	130565	95378	97917	97069	93645	100713	81873	213913	98249	233828	86768	101072	78905	89179	83807	78901	68948	63828	91208	94209	93872	94473	83927	84413	79755
810.8457@5.835415	12744	11560	14814	9365	11830	1	13361	10260	11405	11541	16869	14116	12313	1	1	1	9901	1	1	21357	10383	24806	1	9574	1	1	1	8543	1	4177	10321	10361	9812	9642	1	1	8914
851.8462@5.8362136	36449	37075	40778	28898	43594	34173	40077	27280	35851	35337	54572	37902	39799	25834	28205	27881	27060	30931	23384	65045	28036	71706	24319	28727	23735	27021	24143	21950	18242	14643	25861	27569	28900	27081	21488	24957	21133
797.8749@5.8360934	3778	1	4538	1	4619	1	5200	1	1	1	1	1	3737	1	2756	1	1	1	2645	8086	1	7314	1	1	1	2335	1	1	1	1	1	1945	1	2311	2235	1	1
63.0083@5.8371296	79444	87562	96598	66816	88663	69584	81210	66764	91632	79378	97684	84389	78378	60783	64893	65600	68011	79264	74268	105351	68128	102711	67707	74331	71667	63653	65029	60648	59502	51977	71199	67830	72628	68291	64787	53047	55414
829.0618@5.829703	1	1	42769	1	43123	26825	31845	10499	13994	8185	8684	15252	1	22074	17871	1	1	27426	18944	9396	20841	10360	26292	16152	14446	18542	14940	19082	20764	23857	21237	23729	1	28300	15037	28306	21268
1053.5077@5.837768	1	6626	15202	1	11441	7230	1	1	8565	1	6290	9384	9564	1	1	1	4912	1	1	1	1	1	8635	1	1	1	1	1	2960	7047	6772	6708	1	8598	1	6804	8656
C22 H4 O26 S	39872	47686	53173	32665	58163	39622	50747	28854	42181	37200	68593	46040	46469	32646	35291	34456	31802	37070	27785	83511	31500	92465	27079	34906	26254	30747	27966	27268	20205	20704	32788	35128	32279	32835	27056	27975	28000
919.8337@5.8361564	24922	26948	29039	20566	33830	23909	29553	18804	25722	23516	35341	28620	28678	19169	19118	20368	20509	20006	17399	43502	18084	52545	17206	20099	16399	19016	18175	16725	1	12120	19660	19729	18879	17140	16736	17750	15129
804.3401@5.8343563	6385	1	7291	5374	1	6397	1	5017	1	1	8996	1	6495	5068	1	1	1	1	1	10271	1	11272	1	1	1	1	1	1	1	3466	1	1	1	1	1	4004	1
859.5937@5.8170514	1	1	10335	1	1	11963	1	1	1	8276	1	4867	11294	1	1	1	1	1	1	1	2514	1	1	1	1	1	1	1	1	1	8864	9209	1	1	10085	1	1
C21 H48 N15 O12	5283	6571	6167	1	6948	1	6503	4512	1	5026	9512	5660	1	1	5784	1	1	1	1	10989	3260	13747	5010	1	1	1	1	1	1	1591	3444	1	1	1	1	1	1
1041.793@5.835891	57061	60123	58515	46489	67417	50391	60216	45878	56429	50848	73377	55612	57386	45429	44464	42864	44302	47176	39461	87641	45140	94772	41217	45206	38181	42122	39215	40665	37116	1	44033	43420	44757	46055	40184	38597	39807
1109.7798@5.8345966	43936	43654	43111	36450	48153	38820	46495	36684	42481	40305	54117	41156	41443	36765	34655	35094	35361	37536	30693	63931	35187	65894	30257	35091	32408	32382	31178	31611	28817	9146	33239	33783	33969	35430	31293	31030	29245
973.8057@5.83619	73955	76149	78694	61042	82692	67821	81325	61596	73821	68977	103200	74169	75625	56942	58141	1	58022	60543	50917	119447	59763	132371	50838	58507	49954	55141	50144	51102	45494	42536	55074	56917	56280	58732	50029	52875	51341
770.3469@5.8365192	1	6040	6387	5567	1	1	1	1	1	5488	9095	5301	5794	4712	4798	1	4974	1	1	1	1	10985	1	1	1	4698	1	1	1	1	1	1	1	1	1	1	4154
939.8123@5.83631	13526	19471	19583	1	22898	19559	20128	16417	17552	17442	22758	19876	20312	1	16202	1	12094	17227	16310	27106	1	28366	16807	15083	13764	14138	1	13099	14476	13166	16087	1	14112	14211	12389	13596	1
983.5121@5.836398	1	3685	11404	6261	1	8075	1	25884	8614	23948	31015	8095	1	1	8955	1	1	51055	1	1	1	3413	9400	1	1	5568	1	2782	4285	1	1	1	1	8620	4632	1	1
783.8587@5.836052	34298	36868	41272	27082	47191	32054	43037	24790	36339	31887	50900	34252	38235	26341	27608	27050	29187	27648	21267	67541	26109	72432	25844	27975	23678	26873	24860	22018	20176	17407	25042	27338	29966	28815	21333	25647	21681
C23 N2 O25 S	15862	27709	26235	1	31877	23203	29144	19682	23886	24288	40545	26462	25983	18030	18374	19012	18441	21094	17453	44281	21708	52741	17355	21737	16754	20453	16944	16611	12806	12023	19845	19032	16694	19848	16807	16281	17414
729.8868@5.838878	1	3946	5697	1	5761	4025	4440	1	1	3949	6023	4369	5360	1	1	1	1	1	1	8599	1	11111	1	2791	1	3285	1	1	1	1	1	1	1	1	1	2384	1
871.8255@5.8355293	16428	22137	21215	18303	23883	18918	22898	19688	25050	18499	29062	20973	24744	16596	17671	18385	17615	16981	16362	31045	18407	32777	15154	16449	16821	15542	17092	16481	14773	1	18197	18404	17805	17349	15487	17029	15780
987.8213@5.83667	19044	20230	24076	17701	26917	19759	23549	17073	21334	20961	29898	20981	21621	16984	17585	16238	17337	16869	15796	36377	15623	42101	16124	15215	14216	14327	1	1	11207	1	15233	15522	16152	15868	13118	14216	16039
1177.7671@5.8352966	28498	31130	30893	27445	38029	28785	34702	28414	30989	29510	36872	30965	32188	27487	27348	25718	27594	27651	24093	42312	26503	46447	23795	27871	25514	24453	24305	1	23627	1	26591	27567	26539	25825	24205	26324	24099
901.577@5.832553	9996	1	80184	1	1	1	1	1	1	39738	56299	37277	41260	33326	14391	23243	22008	27307	18148	50469	1	1	1	19173	12359	13976	1	30167	36693	20715	45021	1	1	1	1	1	16095
808.0772@5.838235	1	187280	230311	49998	206556	207818	139074	85494	216432	153366	3333	1	2696	147548	45694	100762	112322	106421	88307	96491	128651	72500	110692	1	37523	38876	42514	143916	115346	78722	157443	143160	133957	110708	212450	145385	52842
449.2734@5.8380837	1	1	6035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2428	1	1	1	1	1	1	2888	1	1
842.0702@5.8305163	15262	1	42663	1	1	1	1	1	21298	22821	13201	1	6998	29779	4211	26057	1	32939	20982	16376	21442	7449	23976	19625	1	1	1	1	24031	20948	28145	25218	21950	14856	38011	41965	1
634.3701@5.835955	1	1	5564	1	1	3855	1	1	3975	1	1	3854	4014	1	1	1	2596	1	1	1	1	7924	1	4184	1	1	1	4079	1	1	1	1	1	1	1	1	1
C21 H39 N2 O6	1	25464	24860	1	16710	19765	17717	1	23700	18261	23990	14107	13870	12835	6579	11381	26847	9208	10320	21014	18365	1	12534	1	1	1	1	13526	11709	7303	17316	15609	15280	12633	17115	1	1
321.9625@5.8377814	1	1	4595	1	3826	1	1	1	1	1	5748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1011.5367@5.8324213	1	2428	67181	20419	36499	51757	31246	1	64649	43465	57731	46053	41533	48673	1	39610	34866	45517	14193	54458	32725	43860	34092	29230	1	16768	1	33212	29378	22491	38278	39686	34315	42017	47380	29492	15777
963.5412@5.83427	1	1	30207	1	1	1	54919	1	1	1	5974	1	1	1	1	37971	1	1	1	1	1	1	18063	1	1	1	1	1	11760	26846	18609	1	1	22686	1847	19050	14332
795.0693@5.8305492	52801	123087	229483	91469	189895	159332	116216	54337	195450	60214	1	85602	1	119420	77112	87343	84370	102107	80584	52032	115874	54391	119085	110198	58312	81506	64204	119049	107423	111197	122792	138837	115991	145160	92879	94096	77691
1055.8082@5.836394	16638	17015	17063	14280	22107	17046	14867	13464	18227	14491	23257	16120	20799	14246	12585	1	12005	12787	11976	26911	1	30772	11482	13819	12545	12006	12898	1	10252	1	14742	13489	13228	12759	11066	1	12693
1245.7543@5.8367233	1	24423	23737	1	27826	22683	25919	1	25070	24172	28871	25079	25369	1	1	18882	21874	20641	1	33787	20598	35861	1	20709	19385	20791	1	1	17409	1	1	21128	1	1	1	1	17324
895.5501@5.8658733	1	3311	82647	84897	1	1	1	1	1	1	1	1	54022	1	88170	1	1	1	1	13820	1	1	53499	1	1	1	1	1	31220	53154	1	1	1	1	1	1	1
1252.7623@5.844826	1	5988	5193	1	1	6665	7562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9850	1	1	1	1	1	1	1	1	6159	1	1	1	1	1	1
482.7659@5.8355546	45806	99955	84072	38576	61362	73106	85173	46566	82236	72410	79443	68599	64093	51754	28286	49624	46585	41389	38264	1	58888	71091	43172	50582	22561	25596	21712	53694	45962	38439	59799	63491	59244	54989	72828	53222	36125
821.0843@5.800278	1	1	35831	1	25515	30889	1	11364	38874	18203	14440	20167	8299	9337	1	10351	8376	1	1	4825	11589	9212	10051	16486	17030	14489	1	1	15021	8658	22080	21300	18986	17869	22580	17163	7418
845.3416@5.8388686	1	1	3614	1	4907	3898	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H3 O25 S	1	9872	12929	6478	13961	1	13525	1	10810	10237	16623	8831	9821	7868	6917	7184	7555	8950	1	23944	1	23468	1	1	1	7548	1	1	1	1	7414	7593	7445	1	1	1	5472
794.5672@5.828769	72944	1	375229	142988	326203	260138	208754	93074	290296	94077	78457	149905	219220	188238	124956	146776	135749	200156	127110	88226	190784	99115	188195	181805	95835	127146	102069	184141	171964	175906	204715	215750	181834	231885	157929	160694	130686
844.8392@5.83787	10301	13078	13078	1	15450	13415	14382	10601	12549	12371	17903	13168	12669	9162	1	8689	1	10555	1	21659	1	20820	1	1	1	1	1	1	1	1	1	11288	9337	1	1	9504	9700
401.7705@5.8361135	1	38319	20201	15417	17963	36056	10470	1	18322	12382	10602	15933	17148	7498	1	8913	1	1	1	5889	38251	1	9254	14111	1	1	1	1	9672	1	10321	1	1	18007	1	7688	19517
571.7389@5.8378696	1	5392	9537	7990	10002	1	8112	1	1	1	1	1	6871	1	5824	1	3795	5748	3755	2142	1	10080	1	1	1	1	1	1	1	5147	1	4728	1	7699	1	1	4103
1116.7875@5.8262863	1	1	7745	8128	1	1	8838	1	1	1	9146	1	1	1	7376	7469	3945	1	1	11241	7787	1	1	1	1	1	1	1	1	3422	1	1	1	1	1	1	3660
469.758@5.835164	36217	33983	55523	43590	91132	30610	74889	19827	34100	23585	29205	41192	68548	51320	34883	21104	20033	29556	22920	14634	28660	112154	28116	31719	26206	34648	28407	23615	24562	23959	30612	33254	25597	76954	14005	19032	74643
863.5601@5.8353024	1	1	31271	30810	1	1	1	1	12059	16130	1	25921	1	1	1	1	1	1	1	1	15652	1	1	1	1	1	1	16199	1	51072	18968	1	4117	1	1	1	1
1143.7733@5.837648	6458	11289	10781	1	1	1	1	1	1	10862	1	1	1	11132	9917	1	11106	1	8190	15725	9072	16001	1	1	1	9335	10132	1	8260	1	1	10469	1	1	1	1	1
899.5612@5.8384953	1	36519	34396	34056	1	58466	1	1	72530	8397	1	1	1	1	1	1	1	1	1	1	51506	1	1	1	1	1	1	4636	6978	1	8407	50635	47554	1	43281	1	1
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))	1	39127	61864	1	1	42439	1	1	45570	31748	1	28302	23742	1	1	1	1	1	1	22409	19926	1	1	28892	1	1	1	26556	25296	16098	29766	27592	23140	30585	23803	1	1
1007.7995@5.835873	13304	16255	15521	14683	17780	14854	17333	14228	16147	1	20246	1	18492	16571	12916	15969	12025	14953	11817	21465	13017	24150	13601	15895	1	12194	11624	10972	1	1	14339	13099	13361	1	11640	11884	12652
1076.29@5.845338	1	4834	3292	1	1	2715	1	1	1	1	6104	1	1	1	1	2322	2773	1	1	1	1	6856	1	1	1	1	2746	1	1	1	1	1	1	1	1	3749	1
1079.5236@5.8340235	1	19348	22840	4834	24142	19242	22382	11421	24904	14143	22099	16155	13163	1	1	14468	12530	16883	7772	1	10774	9230	11968	10390	1	1	1	10974	8616	6217	13813	13968	1	1	15833	19077	1
776.8517@5.8353357	13460	12295	14448	11232	16924	13933	13147	1	10808	12844	18945	12190	13532	10197	9892	1	9497	10773	1	22503	9812	25312	1	1	1	10768	8576	8842	1	1	1	1	9506	1	8500	1	8173
878.8325@5.836661	1	12261	14361	1	17896	11104	13996	1	13904	10254	15307	13452	13467	10989	10194	9217	8496	8981	7351	22325	8681	22331	1	1	1	8821	10359	1	1	1	1	9754	9494	1	9233	1	1
C17 H40 N7 O4 S2	15691	14714	24451	22360	19914	17129	15297	8848	1	9899	13385	17338	19125	10054	15937	11172	1	1	8787	1	13141	1	12783	16174	12040	16470	11744	9911	8119	11135	1	14351	13191	17399	1	8623	12598
897.0496@5.836219	3794	8506	17391	6009	18141	8981	14954	7150	12428	3357	1	1	1	9434	1	1	1	11881	1	1	7584	3110	8860	6152	1	1	1	7098	6934	10998	1	7872	1	11054	1	1	1
828.56@5.8726873	1	33454	53225	1	1	1	1	1	43110	16799	1	1	14247	1	1	1	1	1	1	12640	6474	11921	1	1	1	1	1	1	1	1	1	38455	5602	1	1	1	1
788.0716@5.836024	1	1	5086	1	15986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34728	1	1
Macrocin	5138	22054	55655	1	1	32175	1	1	29507	1	30176	38157	32881	1	38005	1	1	1	1	1	21605	1	1	23064	1	12383	7109	19426	1	1	19463	26669	20294	1	1	1	1
957.5625@5.8360057	95448	1	15606	1	32290	9955	1	1	10480	1	9717	7630	1	7628	1	14053	6367	8218	1	7645	1	1	1	1	1	1	1	1	1	1	1	1	1	8235	4283	1	1
1123.7957@5.837211	14953	14014	14358	13646	15730	10231	15738	1	13709	13557	15610	13276	14526	11377	1	10529	1	12270	9425	20227	1	24025	11691	10958	10095	9107	10758	1	8010	4268	10182	11764	11051	12451	9325	1	10041
1191.7828@5.8374486	1	10163	11669	1	14150	10145	1	9922	8105	1	14880	1	10127	1	10155	1	1	1	1	15239	7696	16900	1	1	8749	1	1	1	1	1	1	1	1	1	1	9074	1
402.272@5.845971	1	6410	7967	6374	1	1	1	1	6911	1	1	1	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
1075.787@5.835121	10507	14475	10764	1	16399	13050	13383	1	13922	12635	17419	11752	14948	10692	1	10310	1	1	1	16706	11687	18659	10282	1	1	9307	9430	1	10311	1	1	1	9325	1	10993	10891	10333
584.7472@5.835981	16901	18925	17160	1	19731	13155	1	1	13933	11533	12431	1	8777	11856	7475	9593	8881	9757	1	13477	9532	12217	8101	6050	1	1	1	1	1	6274	10914	10922	6281	11348	11327	11271	1
965.0367@5.832467	1	1	5574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2362	1	1	1	1	1	1	1
C26 H41 N6 O5	6800	1	23893	26693	55817	1	88520	72839	1	7006	1	10179	25965	26029	49205	48352	37029	66863	27286	20283	1	20817	36738	1	29309	33895	33385	1	11098	9465	11520	1	1	19670	7685	62216	70127
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol	1	19246	16996	19884	21772	17999	19989	1	19439	18675	21747	17352	19295	1	1	1	1	17878	1	25004	15794	27068	1	1	1	1	1	1	1	8157	15823	1	16396	15642	13253	14912	1
1014.8065@5.8368793	10213	9446	8680	8019	10634	10078	1	1	11447	1	10660	9684	10566	1	1	1	1	1	1	12330	7588	14488	1	1	1	1	7929	1	1	1	6935	1	1	1	8439	1	7705
1381.7288@5.8379145	1	14648	13527	15818	1	1	16906	12632	14048	15816	16466	15046	1	1	14161	1	1	1	1	19636	12752	18511	1	1	8258	11639	1	12049	1	1	1	1	1	1	1	1	11372
725.4607@5.8712296	1	2295	11044	1	157729	11015	15289	1	1	1	10965	1	7448	12764	1	20452	19288	1	1	5903	6187	15883	21561	8650	1	1	1	2304	9015	1	1	1	1	7177	1	1	1
837.0475@5.843	1	1	6568	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1048.8005@5.8326983	8504	1	9363	1	9372	1	10021	1	10528	1	13817	9972	8674	1	1	5921	7398	1	1	1	1	14553	1	1	1	6851	1	1	1	6224	1	8480	1	1	7379	1	1
980.8144@5.8369884	9921	12202	11529	1	1	9078	1	9266	10684	1	1	9824	1	8742	1	1	8101	1	1	14844	8578	14148	8147	1	8866	1	1	1	1	1	10502	7857	1	8246	1	1	1
959.5251@5.8870316	1	1	13176	8265	1	3063	1	36052	1	1	13965	1	1	1	1	1	11556	1	1	4204	1	26531	1	1	18770	1	12461	1	1	1	4205	1	1	8985	1	1	1
585.2493@5.8437433	1	7214	9676	1	1	1	8079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8652	1	1	1	1	1	1	3784	1	4781	1	4268	1	1	1	1
896.5483@5.8350983	1	1	31077	20373	1	23356	1	41038	1	10954	14846	1	1	1	1	1	1	1	1	7805	13816	1	44525	11593	1	1	1	13066	36385	19103	1	1	4951	69324	20284	1	1
545.3452@5.8411083	8222	1	7683	8120	17169	1	47563	37458	1	1	1	1	3755	1	18909	19746	1	28312	1	1	1	10278	9916	1	14849	11997	14608	1	1	14131	1	1	1	1	1	25562	27708
910.0584@5.83152	1	1	14884	1	18353	11744	10606	1	10727	5138	5871	1	1	9578	1	1	3915	1	5895	6473	1	1	6813	4983	1	1	1	6786	1	1	1	9320	1	9194	1	13380	3434
931.5413@5.838464	1	1	17512	13922	27284	8909	1	1	3812	4664	1	1	1	1	1	1	1	1	7254	1	1	1	10078	1	1	1	1	1	1	18835	1	1	1	1	1	1	1
978.0434@5.845	1	1	4312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1585.6903@5.8315787	1	1	5604	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2831	1	1	1	1	1	1	1	2670	4896	1	1
1082.7947@5.8367896	1	7373	9385	9618	11638	9256	10481	1	1	9180	9853	1	8312	1	1	8677	1	1	7854	13578	1	1	1	8282	1	1	6627	1	1	1	1	1	1	1	1	1	1
1517.7032@5.835363	11006	1	8949	1	1	1	1	1	1	1	1	1	7802	1	7251	1	1	1	1	1	1	10421	4737	1	1	1	1	6966	1	1	1	1	1	1	1	1	1
793.4418@5.8989205	1	1	6343	3698	1	1	7331	1	1	1	1	1	1	1	1	3809	2110	9369	1	1	1	6781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
816.0658@5.8572316	1	1	22501	13197	27839	2067	9208	1	4162	3357	7577	1	6023	8155	12552	1	1	8680	6207	1	1	4811	1	1	10871	11851	10641	1	7435	10994	1	1	1	10935	3405	1	9435
944.052@5.837675	1	6601	11245	1	1	7867	1	1	11943	2411	1	1	1	6400	1	1	1	1	1	1	1	1	3456	1	1	1	1	1	1	1	1	7059	1	5533	1	9041	1
951.5211@5.8620505	17700	1	9140	1	1	1	20924	1	1	1	1	1	1	1	17151	1	12368	1	15519	1	1	18520	1	1	1	13270	34242	1	1	1	1	1	1	1	1	1	33995
802.0754@5.8414383	1	1	22827	7585	25834	1	5595	1	10270	1	5684	7848	2818	1	1	1	6297	1	1	3755	1	1	1	1	1	1	1	8595	1	1	1	1	1	9059	1	1	1
845.0528@5.836854	1	1	4268	1	1	1	1	1	1	1	1	1	1	1	1	7320	1	1	1	1	1	1594	1	1	6033	1	1	1	1	3146	1	1	1	1	1	1	1
161.0012@5.8517942	11774	1	13551	1	19096	1	11628	1	1	9640	1	1	1	1	1	1	1	1	1	1	1	18518	1	1	1	1	1	1	1	10715	1	1	1	1	1	1	1
Indoleacrylic acid + 5.8675737	1	1	8751	1	1	1	1	1	1	1	1	24025	1	1	13147	1	1	180520	242358	1	1	39066	190378	458121	252948	250660	203516	325359	212815	1	261369	174600	306513	118530	230958	168159	126796
C4 H2 O8 S2	35072	81021	61975	23555	65527	36101	47589	27543	1	33746	68378	39355	40541	25093	1	24931	24504	1	22761	105059	21858	113460	23926	29953	24350	29371	1	20019	17578	16550	23182	24045	23410	26013	22349	1	24953
C3 H4 Cl2 O2 S	9175	1	15745	1	17723	9912	2256	7406	9710	8881	18765	11609	10121	7192	10038	1	6441	8651	5071	28447	7614	1	5931	7254	6601	8101	1	1	4361	1	5925	6249	9345	7583	6267	1	5390
173.1415@5.891843	1	1	20380	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18406	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
773.5223@5.8986897	1	1	3141	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5959	1	1	1	1	1	1	1	2276	1	1	1
341.8533@5.920484	1	10570	13209	1	1	1	1	1	1	1	11842	1	1	6259	1	1	1	1	1	12238	1	15200	1	1	1	3051	1	1	1	1	1	1	1	1	1	1	1
135.9328@5.908012	1	1	4840	1	1	1	1	1	2645	1	1	1	1	1	2640	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 S4	34631	35639	48337	19854	57450	21523	36422	21247	29894	22733	1	29036	27979	18588	27280	18491	20761	19529	13830	52044	17889	78235	1	15851	18309	24396	24435	1	12102	9781	16307	16747	18649	23929	17270	19032	1
191.9028@5.903702	1	1	6865	1	1	1	1	1	1	1	1	1	1	1	4304	2257	1	1	2214	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H11 O4	1	1	25725	22542	24280	1	19387	21049	1	21273	21254	29105	20334	18802	22059	16109	19282	1	13772	19663	19868	28395	1	19198	17345	21129	22286	16658	15433	13163	19771	19752	21367	22303	19628	1	20234
123.9151@5.9123125	31039	27167	43320	24268	46429	20058	29089	19926	28650	24082	43469	28854	28985	18736	29066	17227	1	19680	12476	43219	20245	61508	15427	17821	16181	29058	27960	13305	12910	9716	15618	18253	19876	22378	22815	16231	17226
527.7499@5.9161034	2398	1	3526	2545	1	1	1	2596	1	1	1	1	1	1	1	1	1	1	1	1	1743	3320	1	1	1	2744	1	1	1	1	1	1	2327	1	1	1	1
121.9172@5.9112673	221907	197385	320672	165869	293765	140440	215436	146320	195900	154994	278572	205306	179630	126059	184480	115860	137752	125396	89173	281561	127750	407217	107286	128738	118652	199073	203212	97661	86576	68913	117682	136236	148989	161211	137099	120794	127935
C5 H3 Cl O3 S4	41080	52804	75050	1	83309	28006	53958	35643	32903	25199	64964	33849	1	24279	34202	23343	24672	24648	17943	65426	22128	95499	23223	1	24965	33457	43469	19740	17695	17632	24091	24519	24134	28068	24892	24677	24339
425.8138@5.9179	1	8440	10946	1	11703	1	10543	1	1	6444	1	1	1	1	1	1	7538	7015	1	10638	1	13421	6838	1	7658	1	1	1	1	1	1	1	1	1	1	1	1
207.8768@5.9150524	8025	7285	12669	6616	11802	1	7294	1	1	1	1	6701	7204	1	6796	1	3594	1	1	1	1	14816	1	3207	1	6587	7563	2947	1	1	1	1	1	5825	4695	3535	4584
C18 Cl2 O4 S5	8865	1	8594	7038	8341	6241	1	6894	5977	1	1	6085	6979	5352	1	1	4939	1	5762	1	5539	14919	5506	1	6855	1	1	1	6136	5084	6975	6785	7231	6963	6079	1	5788
364.1495@5.9124393	1	1	7213	1	1	3943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
205.8786@5.9137387	38414	28902	55489	25336	50997	19437	35616	20097	35249	18374	51458	27077	26510	15174	31064	14930	20753	15683	11170	34058	15004	65518	12646	15373	17945	28110	35229	11448	12203	8716	1	19151	20483	24098	19872	17091	18792
C5 H3 Cl O2 S5	38641	20366	55499	21834	48148	1	24857	20170	21840	15948	43074	22256	17623	14606	25039	13864	16041	11907	1	1	12879	61591	12021	12048	14698	26547	27961	1	10237	8698	13269	14427	16436	18759	16062	16506	16200
357.8269@5.9160357	11737	8773	12957	1	1	1	7995	6104	8323	1	12089	8912	6945	6094	8645	6790	1	5413	1	1	1	23911	5223	5694	1	8816	1	4512	1	1	1	5747	6565	1	6922	1	6563
861.6005@5.92	1	1	6559	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
359.8256@5.92	1	1	4333	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.6733@5.9165325	2401	1	2703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2878	1	1	1	1	1	1	2168	1	1	1	1
C46 H93 S	1	1	4064	3397	1	2553	1	1	1	3279	1	2910	1	3940	4111	2763	3275	1	1	1	3380	4483	1	1	3743	1	1	3240	1	1	2862	3750	1	3291	1	1	3666
C12 H3 Cl3 N O S5	1	5018	10471	1	1	1	1	1	6466	6049	7887	7236	5483	4623	7027	1	1	1	1	1	1	8975	1	3962	1	1	1	4132	3776	4553	4485	4452	1	1	1	5045	1
965.4551@5.922	1	1	2388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
593.7372@5.9140344	1	1	5925	4719	1	3776	3926	1	4456	1	1	3981	1	3927	1	3855	4280	1	1	1	4085	1	1	1	1	1	1	3819	1	2813	3978	4728	1	1	1	1	1
414.9328@5.923833	6142	1	8820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
907.5109@5.931003	61558	85719	120702	75021	90783	101159	1	97309	117344	81977	128680	97281	75998	56743	1	73862	36426	34247	46829	66528	53427	35097	29131	51611	1	1	1	54305	49400	15131	30858	55042	57827	1	83330	1	1
PG(18:1(11Z)/20:3(5Z,8Z,11Z))	122393	101196	245310	195721	1	176090	180213	63408	165511	1	141304	1	177629	96289	114304	78824	73725	79215	47697	97356	88363	182412	1	119904	66854	1	1	77484	36860	1	68324	1	92376	55911	1	66240	68013
C11 H2 Cl N4 O	50400	65292	59900	31709	88259	50975	43102	15528	49188	43765	101461	33097	47813	11699	17783	12580	16062	8727	7435	99227	12307	68002	4712	24676	7673	21526	13277	7565	4825	1	6234	7198	10407	9692	8179	5438	7798
797.5333@5.9138603	176179	17851	363003	262338	620305	233227	1	50352	102611	60568	1	140827	132768	78688	144300	85389	98888	71274	78770	125014	121972	179115	98871	91813	104631	149724	114954	91896	77658	102657	94608	112664	74148	139572	55062	80402	127050
882.4975@5.9283195	1	1	41564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10589	1	1	1	1	1	1	13377
C6 H6 Cl N5 O4	99075	115834	145715	95581	144949	67293	97903	38229	77416	45056	145127	71805	73701	26128	33290	21691	25839	18476	7990	96987	19424	147381	12587	18613	1	21942	21305	11454	8509	20490	14686	18387	18975	20430	16019	14154	14769
795.5181@5.9407687	40231	95415	136080	69754	199921	138502	1	26963	117378	351419	136748	123868	111944	79618	49494	69050	68006	24089	1	76219	51257	67065	49832	54899	25626	14810	13769	45476	29473	32478	28744	71556	25725	33402	19186	36048	33590
314.9979@5.938632	8770	12881	11784	7491	17101	1	8695	1	6106	1	1	5226	5345	1	1	1	1	1	1	1	1	13798	1	1	1	1	1	1	1	1	1	1	2117	1	1	1	1
837.5647@5.951487	1	19403	24463	1	1	40282	1	13265	41014	23727	29224	19242	1	1	1	1	1	1	1	36883	11082	1	9158	27024	1	1	1	16316	12934	14275	15116	22028	1	18981	3291	1	1
879.4795@5.9355116	1	42935	16226	93796	148370	61337	1	61958	68764	47281	87217	13867	90647	1	1	1	57803	1	1	43127	1	1	1	1	1	1	1	1	1	1	1	2884	1	1	1	1	1
823.5493@5.9155207	669833	46957	1059728	508317	761294	885565	1	687812	1114043	190830	1228974	221450	1	180099	668366	514919	191445	328000	347042	687717	487743	201933	217275	142245	354600	449079	1	179129	181940	165290	208167	172955	150059	199983	268735	360094	223025
398.9591@5.93759	13628	14854	16488	10862	1	1	10984	1	1	1	1	1	1	1	1	1	1	1	1	1	1987	15299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
392.9388@5.937971	5686	9888	6718	1	8623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H59 O5 S2	1	1	12123	10879	16109	1	48207	33505	1	1	11911	1	11837	11124	22791	20900	1	37366	15395	1	1	10364	12930	1	24347	1	1	1	1	6829	1	1	1	6263	1	33115	35396
661.3358@5.9364486	1	1	3827	5506	9655	1	23827	10501	1	1	7731	1	1	1	9467	6851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4764
771.5189@5.9460444	19884	48091	51930	37401	104917	50254	41143	17088	53959	43022	89229	38607	39797	24883	34554	23894	28636	27083	14717	57485	19961	30814	12808	25969	32510	28836	19830	27164	13603	16023	1	1	1	1	21543	31245	18670
910.5242@5.9389477	1	1	24022	1	1	1	17979	1	1	1	1	1	1	1	1	11090	1	1	1	16840	1	1	10099	1	1	1	1	1	5567	2654	1	1	1	1	8811	1	5038
C4 H7 N6 O2 S	25591	55032	34445	21760	62597	50423	33716	18622	54723	52257	103071	37029	62781	22454	24209	19627	28635	16527	19857	152103	21228	71935	9717	50041	17351	36464	22705	18758	1	1	14980	12509	17376	20542	17209	1	15820
119.0732@5.9559875	157667	1	163687	133821	1	1	218175	1	1	302943	1	1	1	181073	1	1	228855	159129	1	1	201974	1	119229	1	1	1	191120	189705	117921	63590	154469	151681	1	1	1	124118	146789
432.7322@5.9115353	1	1	3351	15910	8587	1	8276	1	5142	1	1	4881	1	8190	6461	1	1	5899	1	1	1	14852	1	1	4684	1	8592	1	1	3835	1	5886	1	5102	1	1	1
209.0548@5.948905	1	33945	104979	87268	1	31655	1	20631	37061	1	1	50018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24837	1	1	1	1	1	1	1
D-Phenylalanine	784643	1005253	868269	689237	1442416	1371851	998417	685590	1440912	1428236	2085270	1111069	1764900	897653	813332	929888	1163979	808878	1309226	3393051	1022200	1605937	616455	2033387	948455	1427482	1023379	1009474	619952	357230	777916	746093	788659	883110	757323	661846	796661
C5 H11 N6 O	1671897	1786525	2145416	2266855	2495238	1936120	2414835	1566337	2212725	1654947	3153317	2456510	2694664	1646708	1835186	1822537	1902506	1768185	1491322	3395392	1691033	3750362	1515441	2079538	1415869	1615409	1957117	1537021	1158789	4232219	1593512	1686118	1622530	1678240	1471890	1649498	1613612
C12 H12 N	1	24052	23928	26807	30463	19652	24833	1	25055	20790	36342	28939	32728	18357	23081	1	21196	19581	1	37525	23948	44703	18139	26588	1	1	28292	1	1	43644	1	1	18561	19192	1	1	18132
108.067@5.9536533	1	1	429141	1	28264	25342	1	1	24271	14726	34648	26357	31342	24094	1	1	1	1	1	36229	17791	36418	1	20593	1	25171	1	1	1	34742	1	1	1	1	1	1	17822
C13 H18 N2 O3 S2	23433	38020	33950	24824	39788	32956	1	23585	37236	33793	35579	30470	1	28225	22283	1	27005	1	26646	1	29362	1	1	30345	23246	1	30835	24289	23080	4909	7384	23447	1	1	24968	1	24185
382.9855@5.941736	10087	14227	13167	10995	15048	7643	11846	5542	1	6135	1	8187	6990	1	1	1	4842	1	1	1	1	13444	1	4344	1	1	3937	1	1	3412	1	1	1	1	1	1	1
821.5405@5.94856	1	1	61402	10070	38333	1	533639	32340	1	1	19466	1	1	10281	1	1	256556	1	1	1	1	185639	1	1	1	1	1	11083	158571	4749	1	7865	1	19011	1	1	27940
C8 H6	8015	202793	10161	1	322472	290825	15396	122381	285180	29011	473739	252210	395675	9907	171839	190065	12536	1	298276	716372	9744	368270	1	443075	192973	281692	9098	8019	13239	1	7719	8135	154926	181070	156376	1	1
847.55@5.9389186	1	1	19416	1	1	69185	1	1	1	1	103467	1	1	37576	1	46071	1	1	1	1	44581	1	1	1	1	1	1	1	1	1	97123	1	48678	1	3058	1	66860
AP 23573	1	3436	8371	14421	1	1	6735	1	11848	6978	8772	13842	6820	3165	3551	1	1	1	1	4074	1	1	1	5159	1	3148	1	3158	1	6253	1	6703	5989	1	1	1	1
409.8403@5.92334	1	1	3749	1	1	1	1	1	1	1	1	1	1	6341	1	1	1	1	1	1	1	1	1	1	1	3031	1	1	2813	1	1	5100	1	1	1	1	1
Azaconazole	3794	1	7153	6454	9592	1	6431	4038	6571	1	10308	6813	7936	3597	1	1	4093	1	1	12297	4263	14706	4744	1	1	1	1	1	1	1	1	1	3952	1	1	1	3451
1000.565@5.9466386	1	1	3713	1	7632	5617	1	1	7419	4896	6958	5304	8991	1	1	1	1	1	1	4663	1	7727	1	5715	1	1	1	1	1	1	1	1	1	1	1	1	1
849.5659@5.960564	1	44886	88934	1	1	1	1	1	1	1	1	1	1	1	48285	1	1	1	41141	1	1	1	1	40252	1	1	122167	63951	1	1	1	25115	1	1	1	1	1
1026.5842@5.949913	1	5134	7522	1	1	16012	5220	1	16565	15491	16640	9802	4692	3792	1	1	4486	2165	1	12544	5460	4783	1	9006	1	1	1	1	1	1	1	2038	4775	1	1	1	1
1032.603@5.9503527	5328	1	15301	11554	14804	21025	16332	6255	28587	18510	21884	23439	17736	11050	8606	7131	8624	1	9667	13973	11138	14546	1	9426	5516	9456	4625	7834	1	7715	9787	1	9956	7676	10364	5591	2740
693.4213@5.94974	18917	1	5710	1	1	1	75159	105872	1	1	1	1	1	1	29836	20431	12627	58178	22473	1	1	1	11897	1	1	1	1	1	1	60361	1	1	1	1	1	95850	35278
418.0974@5.958195	1	1893	2680	1	1	5519	1	1	1	1	1	1	1	1	1	1	1	1	1	20300	1	1	1	8962	1	5242	1	3446	1	2213	1	1	1	1	2716	1	2644
897.4915@5.957176	1	1	6238	1	63430	1	1	1	1	1	16032	3265	1	1	1	1	46101	1	1	13867	1	1	1	1	1	1	1	1	1	34452	1	1	1	1	1	72356	1
424.1178@5.951567	1	1	3023	5581	1	1	1	1	1	1	1	1	1	1	1	3284	1	1	1	1	1	1	1	3245	1	1	1	1	1	11041	1	1	1	1	2293	1	1
723.3879@5.951626	1	1	9587	1	14962	1	6933	1	1	2373	6160	3115	1	2798	1	3980	3927	4767	1	1	1	1	3661	1	1	1	1	1	1	1	1	1	1	5415	1	1	1
865.5128@5.9459577	59615	1	20363	56907	1	36569	1	1	15143	1	1	1	79449	1	87035	36819	1	1	49450	1	12688	92839	30518	9752	1	73890	1	7467	28530	39883	1	1	12050	58662	19006	1	33506
973.4955@5.9582157	1	1	8738	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15506	1	1	1	17343	1	1	4461	1	1	1	1	1	1	1	1	1	1	1	1
905.4872@5.956216	1	1	8232	7870	19237	1	131991	10326	1	3220	14306	4984	15543	11516	59696	1	15655	17260	1	7961	1	26312	1	1	1	24407	1	1	1	1	1	1	1	13353	4377	20778	19477
743.4708@5.9563046	1	1	10070	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17820	1	1	1
685.43@5.9629498	1	1	16860	1	1	1	1	1	1	1	1	14386	16616	11901	1	26558	1	1	1	18793	1	1	1	1	1	57478	1	6244	1	39432	19605	1	1	1	7377	1	1
325.138@5.949	1	1	1800	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
602.9168@5.949	1	1	2550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))	2496	1	5301	14698	8394	1	7322	3154	9632	8887	1	13174	11200	1	8569	1	7356	5795	1	1	15490	7915	5084	1	3545	8637	5670	10552	5890	19273	1	17279	1	13901	7492	3994	6635
988.6@5.927032	1	1	2507	1	9500	16313	7217	1	5839	5020	13785	6539	5420	13350	1	9516	1	1	1	3262	4117	1	1	4347	1	1	1	2884	1	1	11738	1	4016	1	1	3881	1
801.5448@5.9597397	1	1	8827	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1016.63@5.956869	6210	5178	12956	1	15306	27002	19331	9408	38970	1	1	37801	1	18652	1	1	1	1	10930	29583	1	1	14449	1	1	1	1	25024	1	24808	1	30558	29600	1	26703	1	1
193.0811@5.9493895	27076	1	40001	57001	72480	1	1	1	1	1	103628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
843.646@5.961125	1	1	20947	12617	33570	32539	38519	24316	45152	30980	29605	35894	27803	29412	15852	29176	28717	31957	26173	25688	26282	18418	25404	28984	15916	17765	19867	30287	18969	28207	28770	23968	23258	21521	33029	33871	14818
1010.6091@5.9572334	1	13130	5237	5348	9014	18055	6931	3661	27094	21953	19001	15220	18209	10253	2406	7681	12177	4477	7473	25719	17401	9245	1	24497	1	6077	1	16115	6330	1	12215	22439	13939	11010	14511	1	4315
991.616@5.9595737	1	1	3202	1	1	1	1	1	7232	1	1	11332	9418	1	1	1	1	1	1	5471	1	5865	4055	10042	1	1	1	1	1	1	1	1	5366	1	1	1	1
Dolastatin 11	1	1	2182	4396	5011	5598	3867	1	9815	1	1	10913	1	5544	4853	3758	2514	2613	2747	8131	1	14995	1	18198	2459	9024	4889	6855	2751	1	4802	6580	6024	10545	1	1	3211
Ivermectin B1a	1	57817	56373	1	1	70778	1	1	83697	70027	1	28721	65344	51350	1	1	54074	1	1	47098	57255	1	1	1	1	1	1	37213	1	33580	39986	38426	43857	44805	45325	52585	1
781.4305@5.9567456	1	1	10140	9152	1	1	1	1	1	4178	1	8053	13805	8648	14645	18123	10817	24717	1	1	1	1	7630	1	1	13016	1	1	1	1	1	1	1	1	1	1	1
PS(21:0/20:4(5Z,8Z,11Z,14Z))	1	994832	43959	1	1	35584	1	1	36370	33519	21749	34481	1	1	1	1	33893	1	1	1	34672	1	1	30109	1	1	1	31183	27454	1	20027	30894	30040	49240	27703	1	1
325.8793@5.917399	1	1	4261	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10594	1	3481	1	1	1	1	1	1	1	1	1	1	1	1	1
283.0502@5.968312	1	1	3069	4064	5159	1	5970	1	1	1	1	6221	6755	1	1	6872	1	1	1	10301	1	1	7663	6979	1	1	1	1	5337	1	7293	1	1	5348	6448	1	1
508.3148@5.95998	1	1	8734	32290	1	7559	1	1	8730	64921	65694	1	62739	8162	35042	44037	43722	27816	1	1	64477	39027	1	65886	17629	20551	20683	6478	30961	3048	51598	6854	1	44729	6748	38890	20719
591.413@5.978137	1	1	10920	31317	1	16411	1	1	18115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9142	1	1	1	1	1	1	1	1	1	1	1	1
Enniatin B4	166268	1	10195	90240	100499	1	129167	169782	1	1	54377	1	16560	27261	267137	63422	39930	244096	302159	19830	1	41489	43864	1	878903	182109	612983	1	25836	215149	1	1	1	9784	1	105831	99727
241.9178@5.956392	1	1	18069	1	32271	1	1	1	1	5643	27152	1	1	4131	1	1	1	6975	1	1	4993	1	7230	1	1	1	1	1	1	1	1	6822	1	6130	1	6929	1
377.8929@5.974949	1	1	5708	1	1	1	1	3089	1	1	1	1	1	1	1	1	2743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
445.8799@5.9378743	7084	11436	4576	1	1	1	1	1	1	8379	1	1	1	1	1	1	1	1	1	1	1	1	1	4975	3749	1	1	1	1	5235	1	1	1	1	1	1	1
743.4643@5.969522	1	1	15141	1	24532	1	1	1	1	1	1	1	1	1	1	1	1	41943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37725	33300
149.1052@6.0175924	1	341647	97943	317153	115916	152420	206135	1	1	1	1	1	1	1	1	1	105150	1	1	121012	1	200783	1	1	1	147836	94086	1	1	82325	99732	1	1	1	1	1	1
673.431@6.014859	1	1	100673	1	1	1	1	1	1	1	1	1	1	1	1	258853	1	330901	1	1	1	1	1	39362	1	1	1	1	1	1	1	1	1	1	1	268959	1
3R-aminononanoic acid	1	28820	31968	1	1	16495	1	1	17727	23079	36727	1	1	1	1	1	17752	17256	1	51604	1	1	1	1	1	14830	16557	23093	1	1	11607	1	1	1	1	1	1
637.3953@6.0117903	9408	1	9269	1	42397	1	43809	10695	1	1	15818	1	1	1	21007	1	1	39161	25798	1	1	13849	7467	1	26688	14511	23311	1	1	1	1	1	1	1	1	29105	1
225.9442@6.0356846	1	67324	23219	1	1	1	51969	1	1	1	54252	52132	1	1	1	1	1	50820	1	56207	1	54283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H59 O5 S2 + 6.0488815	1	1	24642	1	1	1	98926	64592	1	1	1	1	1	19523	45157	35832	18089	75317	23047	8226	1	34809	34485	1	45544	16076	1	1	10215	26707	7581	1	1	18603	6606	80204	83831
377.8936@6.051363	1	1	2467	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2649	1	1
429.9059@6.100129	9803	1	5738	1	27469	8079	14158	9911	7568	15566	5986	14359	14436	7414	6337	7877	7616	8746	5768	1	12786	15854	1	5242	8600	8548	1	6924	1	1	13022	8998	1	1	7447	1	7201
C5 H13 N O2	179029	68650	137399	138819	178431	69280	321723	377662	110863	69475	163083	1	134110	128638	403641	160568	146825	251676	246203	160920	1	322251	99490	59199	422467	243949	263199	48843	86340	94123	59145	59484	1	276964	47710	226296	309877
C15 H39 Cl N9 O4	10398	31321	26410	53317	32292	20316	36494	20727	25767	24339	1	1	37965	29081	19298	24659	22731	1	20597	23157	19051	49430	33552	1	24780	28931	1	26728	17133	1	1	1	1	20049	11968	1	13030
C33 H67 N3 S5	17898	1	8449	13931	14470	1	86049	97644	1	1	22918	1	1	9216	23497	19122	4657	83386	24451	1	1	12158	11135	1	18134	11453	23244	1	7042	29451	1	1	1	1	1	70659	53850
C19 H37 N O4	75358	36092	86271	41410	63462	33063	54922	31026	32880	20965	28849	115936	234157	16407	63574	25795	18719	19379	16903	28972	130829	97213	15555	162220	25579	60717	52122	21669	124369	21255	22959	51154	55432	54339	18752	18840	51883
5-Methylcytidine + 6.077912	7294	1	14897	1	1	6076	1	1	1	4919	8108	8154	8777	1	5319	1	1	1	1	1	1	11351	1	1	1	7195	1	5684	1	1	5436	4971	1	1	1	1	1
817.6278@5.993613	1	6338	8151	16387	1	8329	18682	1	17495	13093	1	3645	9771	17415	22390	15714	1	22675	17315	11258	15946	1	18011	8459	15744	23698	1	4042	11379	11757	14679	15574	13009	16248	8294	15709	18455
849.5448@6.090187	1	1	10688	1	1	8437	1	1	1	1	1	1	23997	1	1	1	1	1	1	1	1	1	1	8979	1	1	1	1	1	1	1	1	1	1	1	1	1
843.6458@6.0899096	10872	15666	11425	1	1	21441	1	1	1	16075	18902	1	14013	1	1	1	1	1	1	12043	1	1	1	10064	1	1	1	1	1	1	1	1	1	1	1	1	1
823.5493@5.98386	1	685970	32417	1	1	19772	1	1	15468	662816	1	639613	1	525401	1	1	1	1	1	1	1	1	300166	459303	338582	1	355508	341097	1	288795	378704	394612	460914	382583	483491	1	219737
797.5332@5.9773664	24860	146988	16172	1	1	7336	1	86096	220449	4388	1	466761	242162	118839	1	99418	1	1	1	1	1	1	155299	177967	1	255832	101610	95504	1	223412	111086	205063	118684	1	102013	1	101280
737.4224@6.0726657	1	1	12236	1	59234	1	20407	1	1	1	1	1	1	1	1	12543	1	1	1	15212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14369	1
PE(20:2(11Z,14Z)/21:0)	1	12773	7462	1	1	1	1	1	7281	6250	9819	1	7989	2761	1	1	1	1	1	6625	1	1	1	1	1	1	1	10111	1	1	3149	5235	4666	1	1	1	1
807.575@6.0009317	65880	109371	77631	1	1	148069	1	1	1	130299	1	57882	1	127697	1	132148	137057	146135	131751	194406	136563	120137	109294	193307	1	36423	1	148817	90092	1	125504	120222	106249	125584	125454	135903	70750
L-Norleucine + 6.0978947	1132080	1165321	923746	670082	1637374	1523887	907953	697970	1056667	1542791	2370040	910998	1754389	617383	663927	684941	634596	522438	506304	3372570	685191	1829650	421267	1780501	745960	1100174	731693	885632	430462	298275	559985	639009	664265	700551	763946	632916	508000
furazolidone	4141	10362	9516	6431	42974	1	7890	3715	4810	10619	13309	8727	12817	1	6622	7619	6131	6565	5927	15829	10338	13537	16050	14918	1	9574	6683	10415	5709	1	6835	7959	8205	7014	1	1	6736
Piperidine	219220	225159	184857	135914	312105	267125	189557	148412	210704	292092	408917	178328	322000	122581	130097	129993	123787	104071	101099	603628	134351	341933	91290	321411	159314	214125	142497	172852	91646	62110	111422	136459	138109	146240	154607	139198	108111
Guanidinosuccinic Acid	65013	66265	53608	45198	89723	73420	53364	47004	63789	84345	110370	56227	89577	38374	40273	41852	40222	31228	34795	140522	46547	89110	30151	99762	47529	62864	45839	58094	31953	22171	40238	44460	46262	44386	52366	45206	35469
C18 H5 N3 O3	29123	29085	22623	19794	39360	31284	22856	19461	26038	34377	36211	25756	34166	20776	18969	20168	19506	17367	15268	53917	21000	33192	16522	39063	20549	27091	20241	26253	17149	11925	19944	22585	24206	22151	23572	19015	16104
Trimethylamine	138193	124038	196051	83072	197495	104296	167980	131231	170777	97762	149643	172195	126129	108272	121481	97407	115875	98301	1	229028	121214	252999	85928	110435	89108	163680	191137	97413	107237	42400	77602	1	126153	110352	103221	107361	112740
242.1758@6.098005	1	1	26003	1	1	4654	10578	1	17586	1	9691	1	5807	1	1	1	1	1	1	16145	5223	17525	1	5453	1	7843	6666	1	1	1	1	1	1	1	2952	1	1
206.1994@6.099	1	1	44050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H13 N O	3.58E+07	3.17E+07	4.47E+07	2.57E+07	4.29E+07	2.82E+07	3.96E+07	3.37E+07	4.06E+07	2.78E+07	3.67E+07	3.96E+07	3.25E+07	2.99E+07	3.19E+07	2.75E+07	3.12E+07	2.77E+07	2.68E+07	4.69E+07	3.17E+07	4.98E+07	2.41E+07	3.00E+07	2.50E+07	3.81E+07	4.15E+07	2.65E+07	2.82E+07	1.36E+07	2.32E+07	3.05E+07	3.12E+07	3.00E+07	2.83E+07	2.89E+07	2.95E+07
C19 H35 N O4	17682	1	35920	1	19732	13479	1	1	10831	1	1	39891	83868	1	1	1	1	1	1	1	1	61437	1	72719	1	21243	17015	1	1	1	1	34397	1	25773	1	1	1
C7 N O6 S + 6.142795	1	38640	36101	1	56536	36736	34823	1	30637	31400	1	1	1	1	1	1	31479	32951	28914	16690	48301	27469	1	1	1	1	1	30866	1	1	1	53492	37648	43462	1	1	1
361.9185@6.1068883	6660	11068	10099	12259	15299	8425	1	1	1	16690	16041	5681	14770	1	7189	8718	8968	1	1	1	14228	7120	1	6543	10922	7088	10670	12238	1	1	1	1	13664	9222	12886	12443	7019
3-Cyano-L-alanine	1	139619	107294	1	86782	105189	128879	71420	65007	1	1	48074	104945	1	1	146971	66901	58859	1	75082	1	1	1	106056	1	92430	103932	74301	111938	1	80481	77544	1	1	1	1	125761
292.1057@6.155657	1	1	4938	3223	1	1	8794	1	1	1	1	8761	12502	1	11743	5532	1	1	1	1	1	19907	1	1	1	1	1	1	1	1	1	1	1	8517	1	1	1
154.0031@6.1584277	1890	1	3477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
569.2751@6.158	1	1	3772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1-Hydroxy-2-acetamidofluorene	12142	92582	160286	82474	181811	77975	12060	1	81684	57790	99590	235982	246797	53326	67672	77776	73075	49184	37313	125813	132122	279960	45035	144129	73535	118535	120677	41028	111884	28597	44488	111581	98724	71758	1	5653	57064
823.549@6.1567707	1	24611	40923	1	1	28900	63933	1	1	21644	1	58153	43393	1	1	50806	1	1	1	1	35787	1	1	14225	1	1	1	4774	12117	1	32112	35653	40816	34116	42820	1	117311
687.3826@6.1251607	10450	1	10225	40394	40515	1	28380	12782	1	1	15506	1	1	21541	12959	2820	1	8199	7509	14879	6011	19769	1	1	39314	18674	44121	1	1	1	1	1	1	1	1	14846	8366
C20 H5 O3	7296	1	6708	4742	1	6128	1	4116	7789	1	7870	1	4868	1	1	1	4598	1	1	10862	4060	7243	1	8300	1	6030	5347	1	3779	1	1	1	1	1	1	1	3225
886.5387@6.175174	1	1	3965	1	1	1	35993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14852	1	1	1	1	1	1	1
659.4156@6.2003565	1	1	33887	12177	64844	13323	1	16437	4876	1	103275	1	41753	1	65519	22669	23002	29300	15330	1	1	1	1	1	1	1	7533	1	5179	18431	1	1	1	1	1	1	1
797.534@6.1820374	19374	20424	30148	25174	1	1	7730	6523	13224	9423	16459	1	1	1	19537	1	1	1	1	1	13490	1	17986	7889	1	7353	13891	1	13089	10481	1	23910	1	29197	1	12162	19879
826.5642@6.1824474	1	1	9124	1	1	9758	1	1	10299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6644	1	6403	1	1
811.5308@6.1746435	9389	1	5374	6643	1	1	1	1	1	1	15551	1	7303	8149	8709	10895	11286	1	6206	1	1	1	1	1	1	22199	17054	1	1	1	1	1	1	1	1	1	7752
118.0418@6.172674	28685	1	21423	1	28368	1	33382	1	1	43456	1	1	1	1	1	1	1	1	1	10537	1	47742	1	1	1	1	24694	1	1	1	1	1	1	1	11865	1	1
1010.6296@6.1737523	15313	53908	34194	8159	16946	1	18518	1	40899	52068	38206	27787	16666	11405	1	8827	11241	1	1	54576	14752	10853	2746	32649	1	7584	1	17133	5759	1	1	7232	14972	8361	19272	1	1
984.6142@6.1728473	12051	13946	22135	8498	1	10783	11737	1	20263	12375	18204	14169	15538	1	3406	5678	1	1	1	12237	1	9414	1	1	1	8579	1	1	1	1	4153	5807	8508	6484	5088	1	4053
824.4897@6.173482	46077	1	3965	19871	34259	5245	30365	16277	7323	1	23310	8686	1	5671	42613	1	9535	24556	26051	1	1	23715	1	7786	59861	48322	62861	1	1	5943	1	1	1	6401	1	1	18593
935.6389@6.146784	1	1	9348	1	8450	1	1	1	9336	1	1	1	10750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
810.5937@6.1831403	1	25638	16936	6399	1	15975	1	1	25887	1	23663	19221	1	1	1	1	1	1	1	24364	1	1	1	15467	1	1	1	10027	6606	1	1	1	1	1	1	1	7756
Borreverine	10267	32218	29548	7987	23979	28216	15111	1	36188	30415	28372	33179	25414	7811	1	7897	1	1	1	34775	18730	17898	2030	29101	1	8265	1	20873	5012	1	9330	16646	20459	13694	28041	1	3981
795.5707@6.11247	1	1	4174	1	10871	7922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
o-Coumaric acid	315965	352449	264048	140447	30631	224485	289089	120026	223827	451810	554372	239785	199431	135830	1	167295	166548	11970	183063	1128765	168230	312964	1	337031	131557	221565	241809	182533	114697	1	8816	1	1	1	136932	1	19876
965.5178@6.2005954	2694	1	7504	1	1	1	1	1	1	1	1	1	9780	1	1	1	10662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydrovitamin D3 / (22S)-1?,22,2	10230	9152	13442	12064	12195	11745	8217	1	13809	8775	13367	25100	15888	1	4382	5863	4360	1	1	1	10219	15940	1	23228	1	1	1	13544	1	1	1	11477	11060	9115	7746	1	4542
L-Norleucine + 6.176548	768339	1	670548	525035	1011829	651147	731778	437938	842822	1053352	2040434	847698	1	1	594442	522626	521206	389218	371943	3666013	610129	1934757	322764	997076	462644	1160655	637080	726853	355182	218974	403675	610488	584954	595986	679648	552968	541395
889.5096@6.159235	1	1	5915	1	28175	1	77973	1	1	1	46325	1	37523	1	1	1	38129	1	1	1	1	36505	1	1	1	1	1	1	1	1	1	1	1	28092	1	22296	1
C8 H11 O6	69654	81427	55675	29615	1	51255	60881	22447	54824	105195	115451	54088	45483	30113	1	34710	10184	1	36763	220815	35623	59237	1	78745	22241	48573	46741	43523	1	1	1	1	1	1	28907	1	1
779.5432@6.142668	7584	55397	27374	9481	45749	23929	1	1	13834	23338	101886	9146	22182	17373	29155	14057	16264	1	1	66168	12044	12943	13852	17908	6990	6704	1	6766	7526	1	12901	11445	14041	16404	11037	1	8872
692.443@6.17	1	1	12693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
793.5769@6.17	1	1	1811	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
697.3932@6.172048	1	1	3107	1	1	1	1	1	3395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Piperidine + 6.1769915	1	180307	176300	124460	276334	147286	168494	102478	197911	247933	407201	180657	297897	76469	112811	115612	96635	80770	67364	758647	118081	363359	63886	206246	109469	218806	130468	151637	68852	46953	80456	124992	116581	123721	153700	108200	109184
807.5747@6.179015	61346	212780	163317	43410	1	141307	1	1	210475	1	203114	141120	137623	83036	1	67591	78362	1	1	175280	70478	99496	51337	110314	27475	1	1	79436	38904	1	55955	58489	75377	78547	102365	60708	31540
PE(20:3(8Z,11Z,14Z)/17:0)	4365	42336	14688	6040	1	45050	1	1	15526	33795	103720	12974	38646	5517	1	5865	7707	1	1	114838	6858	29207	1	6796	1	1	1	8503	1	1	6936	1	12252	6248	5730	1	1
843.6448@6.176442	1	1	10373	1	1	5233	1	1	8788	6408	1	5593	1	1	1	4553	3391	1	1	6439	1	1	1	2291	1	1	1	1	1	1	1	1	1	1	1	1	1
781.5589@6.1677556	34655	65119	79844	60419	1	48366	1	19590	66303	48557	1	72493	1	1	1	1	8653	1	20512	1	46801	50658	23388	80924	16362	36466	1	54851	25484	20546	21494	42866	27928	35010	18624	1	36980
973.5128@6.171725	1	1	9602	1	1	1	1	1	1	1	1	1	1	12474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
874.4692@6.1728597	49284	2514	4442	13276	1	1	27819	10658	3596	4959	16034	5325	1	1	1	8704	1	19262	36718	1	1	1	1	5697	40173	26910	61948	1	1	1	1	1	1	2793	1	1	14925
961.5452@6.168788	1	1	11353	1	1	1	1	2896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Guanidinosuccinic Acid + 6.1773696	37867	46090	42128	28582	72087	32381	38844	22954	47726	56364	90155	42102	71712	14480	28503	27748	16027	18553	14536	132930	30068	95145	15235	53863	20987	48499	1	36349	17027	11839	1	27985	29159	29485	35242	25620	21644
782.5624@6.1734033	19973	41151	46321	1	1	31058	1	1	44374	19615	1	47252	45393	20951	1	15839	14652	1	1	1	1	30917	12615	28113	1	1	12508	8007	1	1	13499	1	13889	23679	13790	1	1
737.4245@6.197877	1	1	44503	1	1	1	1	1	1	1	1	1	1	38980	1	57814	46474	1	1	1	1	1	7897	1	38327	1	1	1	1	1	1	1	1	22160	1	1	1
729.3927@6.172	1	1	4146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
908.6034@6.189715	1	1	3750	9973	1	1	1	1	3203	1	1	3322	4098	1	1	1	1	1	1	1	1	1	1	2860	1	1	1	1	1	1	1	1	1	1	1	1	1
915.5126@6.21173	1	1	20822	1	48778	1	1	1	1	1	1	1	1	39905	1	1	1	1	1	48283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
978.6075@6.184448	1	70655	31877	6474	1	30772	4179	1	43170	54822	46701	28290	17468	17865	1	9016	18132	1	1	43813	10933	11738	10978	18800	1	1	1	16946	2999	1	14072	14036	20547	11638	14279	1	1
695.4157@6.166829	4366	1	13825	29506	1	1	30057	1	1	6354	28108	9037	1	17674	1	26587	17175	1	1	1	1	27853	1	1	1	1	1	1	1	1	1	1	1	6748	7222	33232	1
976.6113@6.1854258	1	8426	6114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
894.5397@6.1718884	1	1	10141	1	1	1	1	1	1	1	1	2072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
865.5105@6.174917	18725	1	25504	18079	1	1	49982	1	1	1	46792	1	36001	1	25664	24770	41160	11639	13970	1	1	30450	1	4204	1	34906	23158	1	10858	1	8406	1	1	1	8503	1	1
923.5136@6.160925	1	1	22708	8757	1	1	1	17718	1	1	19209	1	10266	26734	1	1	1	24683	1	21362	1	60990	10431	1	1	1	1	1	1	1	1	1	1	1	4197	21514	1
707.4132@6.161253	1	1	21459	16869	1	1	1	1	1	1	1	1	1	24961	1	1	23510	1	1	7825	1	1	16373	1	1	1	1	1	1	1	1	1	1	11842	1	7846	18735
763.4245@6.177765	1	1	6372	1	1	1	1	1	1	1	9690	1	3120	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
751.4204@6.179335	7380	1	4612	1	1	1	1	22307	1	1	1	1	6658	1	1	1	13276	1	1	1	1	18613	3288	1	4827	21870	1	1	1	1	1	1	1	1	1	1	1
850.5511@6.184466	1	13847	23213	1	1	1	1	1	16318	8241	1	14762	1	1	1	3357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9526	1	6674	1	7637	1	1
875.5612@6.1523185	1	17206	75896	1	1	19728	1	1	47289	14995	32648	49604	27345	58525	1	86735	1	7884	1	21826	24729	26374	27546	12423	1	1	1	5544	20105	1	26038	25872	31990	50138	31211	1	1
952.5915@6.1858735	1	1	10239	1	1	1	1	1	25981	1	1	25286	18896	9793	1	1	11377	1	1	11906	6210	9756	6964	14337	1	1	1	9529	1	1	1	7647	6684	11154	1	1	1
953.5948@6.1923594	1	12947	7284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8719	1	1	1	1	1	1	1	1	1	1	1	1	4710	1	1	1	1
881.5729@6.2008414	1	1	31248	7059	1	6656	1	1	1	1	1	11847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4167	1	1	1	1	1	1	1	1
C36 H55 N7 O4	143459	1	222518	381283	1525021	84072	1105432	685766	84326	94634	897989	157197	203908	201921	1099240	349972	386720	2432671	1248196	330326	60433	578075	220671	92748	5660278	1	4359024	1	163604	1	107785	52850	52326	152520	1	985943	582625
849.5462@6.1949506	19108	1	19985	24892	99421	1	1	1	18209	9473	25018	19443	26078	18048	1	1	24396	1	15662	1	15720	35463	17196	20016	1	22004	1	15792	12012	11399	8352	19775	10522	25322	6547	1	18383
C4 H11 O5 S	1	118699	35074	16589	20033	41549	18588	1	61969	116686	162782	50293	56990	33357	1	24741	51669	21254	7650	203784	18121	45963	28338	33847	51111	1	14160	31256	1	1	22467	16524	32999	28965	18113	1	12717
55.0421@6.183447	1	9254	3642	1	1	1	1	1	1	7864	11556	4234	5077	1	1	1	5046	1	1	15478	1	4146	1	1	3671	1	1	1	1	1	1	1	1	1	1	1	1
605.3303@6.182323	1	1	9854	1	34014	1	43460	8321	1	1	1	1	13061	7091	32598	15405	11587	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19923	29613
THTC	79139	961669	408711	238439	248835	433321	274447	26852	584937	1071398	1561739	514012	519653	476886	74557	358836	604146	289682	139224	2306578	246821	483091	404758	396159	582947	249411	225703	365460	153842	92065	324916	235756	375422	360025	252791	190953	221778
103.0454@6.188102	1	39316	16631	1	9783	20932	1	1	1	1	64925	20807	22951	20027	1	13220	25108	11390	1	100213	1	22924	15769	1	21923	8674	1	13756	6129	4021	1	1	15508	14796	1	1	1
795.5183@6.1894217	1	6504	14055	4808	1	40541	1	1	5859	4316	1	1	1	28015	1	2340	1	1	13526	4218	1	1	4854	5926	10968	1	1	7203	1	1	1	1	1	1	1	1	1
396.9769@6.1869273	1	3140	2160	1	1	2586	1	1	2956	1	1	1	2594	3207	1	1	3345	1	1	1	1	1	1	1	3241	1	1	1	1	1	1	1	1	1	1	1	1
635.3802@6.181629	1	1	26951	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10712	1	1
707.4762@6.172116	13475	1	10989	7137	29058	1	20697	9888	8116	1	11011	4780	1	7045	17684	1	14111	1	1	5230	1	16221	1	11364	65952	20598	35024	1	1	1	1	1	1	1	1	5716	8817
C26 H51 N13 O3 S	60442	1	10628	32606	55276	1	135688	132766	1	1	51764	1	21957	4755	100294	37099	27143	110471	78183	24116	1	37906	17637	1	135232	78218	127024	1	1	35182	1	1	1	15160	1	97297	51895
C31 H51 O10	26742	1	16915	41392	81949	1	117172	83533	1	1	64127	1	23968	22990	118673	40974	18554	129342	61470	30773	1	71973	50799	1	191002	98646	141044	1	1	33190	1	1	1	22952	1	68606	76464
225.9444@6.2077603	1	31879	22835	1	27453	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
633.8694@6.181037	1	1	2012	1	2735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2239	1	1	1	1	1	1	1	1	2250	1	1	1	1	1	1	1
497.8944@6.163314	4981	2698	3943	5152	10543	3964	1	5873	4833	1	1	4032	1	3427	4240	4278	4657	3403	1	1	5029	1	1	3656	4637	1	6792	4857	3351	1	1	1	1	1	1	1	1
310.1097@6.2	1	1	2041	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Trolamine	79796	100869	110612	94960	84345	1	108419	1	116387	108999	72771	110304	95779	98174	1	105834	128760	103088	1	121176	96954	1	1	102727	1	123967	90497	1	1	79338	116416	1	101927	91051	95384	1	84545
C10 H18 N2 O4	1	10585	9843	6534	9682	7157	1	1	7233	8638	12722	7432	9804	9588	1	1	6823	8059	1	28918	5628	21057	4618	9899	1	8768	8236	5395	1	1	1	6232	1	1	1	1	1
C25 H18 N	1	1	5687	8407	8086	1	1	1	4431	6028	1	5704	1	1	1	5133	4712	1	1	5164	5882	16552	1	1	1	1	4531	1	1	1	4536	3132	1	1	3230	1	1
C9 H16 N2 O9	17664	30403	30765	36174	49993	18912	34222	20669	25850	26527	31925	26655	42864	38274	24112	32347	30764	33981	22361	26286	24456	81834	31590	25505	26586	28664	33123	16571	14604	27961	24665	24366	16068	18284	28832	30006	21978
N(alpha)-t-Butoxycarbonyl-L-leucine	18479	22377	26775	23893	27646	28184	22501	16100	26352	23102	28444	24357	23731	21090	23175	23691	18082	17124	20429	25155	16742	28765	22003	25338	19617	21849	21960	19350	22628	20286	18154	21512	21326	17881	24585	21454	18546
C8 H16 O6	42824	90970	90825	166325	157607	70497	120009	50363	88495	100889	146986	81619	177546	152401	60973	126782	99545	154141	84733	215408	112595	351853	110913	118525	101332	88789	119720	73955	55858	98652	77108	100112	50174	71640	85440	75106	69833
C10 H20 O7	251627	414127	444316	627272	641134	267899	437804	246489	370251	431950	558144	413425	629401	547284	317425	446000	442678	432588	297021	779451	380204	1264093	436654	423001	370845	396705	421871	253194	219140	363069	324555	352021	260742	272648	408872	359445	263790
Sethoxydim + 6.207309	1	1	13613	24921	20706	1	1	1	12539	12792	12761	13971	20894	20343	1	13677	12776	10278	1	13078	17334	35701	16068	14717	10971	9218	1	9431	1	1	12109	12255	1	1	8848	1	1
C11 H18 N2 O3 S2	21553	39383	53125	52363	65445	1	36309	1	36085	34460	46906	34779	49728	43121	27292	31671	34885	31889	1	60964	29653	122432	35164	1	25386	30244	33526	1	1	28585	26776	29626	22150	22197	31488	28989	1
C10 H16 N7 O2	1	19792	30401	33604	1	1	1	11965	21568	22787	29111	25093	35128	32125	1	25667	24853	21125	17484	34951	24524	61862	23620	23672	1	14451	21187	9321	1	18845	1	18973	1	1	20687	1	9124
151.0241@6.208787	1	1	10355	1	11035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
186.0503@6.2070704	4601	1	5798	1	13357	1	1	1	4769	6455	10740	1	1	1	1	6661	7326	1	1	22159	1	1	5257	1	4175	7342	6669	1	1	1	1	1	1	1	1	1	3713
771.5214@6.1945395	1	1	4146	1	1	4039	1	1	1	1	1	1	4224	1	1	1	1	1	1	1	1	1	1	2008	1	1	1	1	1	1	1	1	1	1	1	1	1
225.1252@6.2085943	1	1	21456	1	1	1	1	1	1	1	1	16934	1	1	14595	1	1	1	1	1	1	54655	1	1	1	18351	1	1	1	1	1	1	11999	1	1	1	11693
C28 H63 N8 O3 S4	44673	1	11942	1	58662	1	27498	32004	5585	1	33768	8070	10500	1	1	1	17135	76863	83630	8739	1	19349	18363	5688	193426	78275	209295	1	10589	31900	8264	1	1	12057	1	49740	48308
Diethanolamine	101110	1	106613	101962	98239	97728	103559	84706	118269	124992	98631	92605	110821	89225	84717	88914	104490	83919	86265	126100	103660	111499	94337	119288	90130	89269	101443	105530	90332	86622	104703	98048	98746	97982	93140	89268	88043
105.1179@6.208194	1	1	3885	1	1	1	4716	1	1	1	1	3921	1	1	1	3542	3382	1	1	1	4524	1	1	1	1	1	3356	1	1	1	1	1	3488	1	1	1	1
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	15012	17405	15252	10210	1	8952	12096	8733	13115	13864	19211	10714	11693	6921	9148	1	9931	1	1	30177	1	23516	9915	1	8313	11823	8650	1	1	12536	8238	9140	10554	13875	7636	1	1
883.5194@6.2030034	21651	1	16268	1	1	1	1	1	1	1	1	1	1	67483	1	79096	1	1	1	19867	1	1	1	1	1	1	1	1	1	1	12298	1	1	56761	1	1	49179
189.9855@6.2203403	1	1	6412	1	1	1	1	1	1	8411	6220	1	1	1	1	1	1	1	1	25712	1	3248	1	7285	1	1	1	1	1	1	1	1	1	1	1	1	1
725.4245@6.1867743	1	1	2543	1	1	1	1	1	1	1	1	1	1	6206	1	44172	1	1	1	1	1	1	1	1	36075	1	1	1	1	6071	1	1	1	1	1	1	1
C7 H17 N O3	38348	53926	110226	2429911	62717	49375	69145	1	1	62793	51730	1	68760	55966	1	40878	55663	48430	44300	59782	1	101028	53479	1	47496	81333	57356	1	52673	36164	1	87135	169863	167151	1	1	55046
131.0943@6.2169356	1	820093	360725	1	1	1	1	1	130532	119598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
858.5787@6.2458777	1	1	5186	1	1	1	1	1	1	1	1	1	2803	1	1	1	1	1	1	1	1	1	1	5325	1	1	1	1	1	1	1	1	1	1	1	1	1
190.0742@6.2385063	188484	1	42306	28383	77509	1	1	1	1	1	24553	1	27261	1	40066	1	25015	1	1	1	44999	61216	1	1	27161	284395	487501	1	1	28209	1	1	1	1	1	1	1
C19 H42 N6 O5 S	42070	34727	46400	67350	46664	38691	54876	35536	45025	43490	41775	39542	44741	47216	38840	39633	40765	41053	33296	36772	35489	65312	44808	39023	46204	45728	43863	37284	37865	35214	42790	43960	38277	35602	32005	35278	35869
340.1108@6.251222	1	1	4447	1	7517	1	1	1	1	1	1	1	3831	1	1	5532	1	1	1	1	1	22559	1	1	4086	1	1	1	1	1	1	1	1	1	1	1	1
466.7954@6.2498627	1	17584	17299	30022	22299	16895	22491	1	19114	15988	16738	1	19270	20537	15907	1	17417	1	15337	15325	13146	24592	18811	1	17854	19263	19467	15046	17611	1	18524	17669	1	1	1	15427	1
C12 H24 O8	102969	265962	348325	895886	614216	181369	326380	159683	325191	388747	304584	354115	615077	598198	256741	450435	388365	287799	334905	340094	439546	1144739	539262	351056	342727	304442	382792	211363	197761	293931	364115	324822	139664	190801	275667	262404	180881
687.4467@6.255388	130660	1	61972	82566	452939	1	324942	240842	1	1	95661	23012	72333	109802	121779	178954	1	1	81212	1	1	131211	1	1	123085	142022	86364	1	37896	88619	1	1	1	44907	32814	258777	1
Mesquitol-4beta-ol 3,8-dimethyl ether	1	1	6060	7181	14426	1	3884	1	1	1	1	3714	5721	5411	1	1	1	1	1	1	3822	26264	1	1	1	1	1	1	1	1797	1	2673	1	1	2689	1	1
C18 H33 N O4	12540	6025	9331	1	1	8741	10560	1	1	1	1	10749	13957	1	1	1	1	1	1	1	11554	1	1	15987	1	4795	7612	1	11603	1	3257	1	5504	1	1	1	4505
620.7641@6.2687526	1	3514	12947	1	1	1	1	1	14251	1	1	1	1	1	1	1	1	1	1	1	1	1	3734	1	7033	1	1	1	1	1	1	1	1	1	1	1	1
595.3291@6.2622085	1	1	3092	1	1	1	1	1	3703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3093	1	1	1	1	1	1	1	1	1	1	1	1	1
827.5301@6.2577877	1	1	3367	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60509	1	147307	1	1	1	1	1	1	4853	1	2451	1	1	1	1	1	1
C30 H64 Cl N3 O5 S2	124040	13273	68362	70634	215069	70009	114967	59834	7423	13294	1	24274	40589	49422	119084	62299	52003	77529	72279	1	1	51045	55136	8102	31608	129260	148826	8750	29999	43442	31627	8025	1	36697	21138	93922	99721
C26 H49 N O S2	31744	15365	16698	1	21224	15340	18673	9016	7567	6650	8799	9047	25395	3839	1	5814	5641	7317	17549	15555	23504	14759	1	33799	4044	8097	10528	4625	19423	1	7541	9391	7052	3969	4721	8389	1
859.5919@6.2863774	36714	1	55555	38917	1	1	73188	1	1	8060	1	16822	40989	44519	1	1	51420	1	1	26859	1	1	1	1	1	81723	1	1	1	1	1	1	1	30298	1	1	35064
C32 H53 O10	141779	1	19520	56072	143635	1	176887	179283	1	1	54860	4200	21651	27710	133994	49783	27462	182765	110798	24810	1	36762	32546	1	184816	95569	174010	1	17887	61382	1	1	1	13858	6846	105015	88918
C37 H55 N10 O4	1	10911	163666	75292	1	1	571241	1	1	1	1	32538	1	92252	118154	159450	76931	251928	43663	1	1	139179	120422	1	102226	113500	121634	1	21941	152672	1	6869	1	80475	34643	234872	158389
783.467@6.2879863	1	1	9405	1	1	1	40659	1	1	1	17707	1	7811	6193	1	9853	1	1	6826	1	1	1	1	1	1	1	1	1	1	3580	1	1	1	1	1	11566	14606
C38 H55 N O2 S2	1	1	76689	1	59123	1	29901	1	1	18415	36737	41028	1	16636	1	1	20297	1	1	1	1	18747	21578	10940	1	23607	1	4976	12357	1	41912	9460	1	29633	19721	1	26925
C17 H33 N O4	63885	21091	71221	31962	36425	20180	41021	20714	27183	13308	18887	78875	142437	13235	41793	14924	13951	1	10133	29213	68314	98205	7647	82801	15031	40139	33052	12412	57833	10011	12198	38024	31610	31621	10897	15600	38626
717.4255@6.283607	1	1	48889	1	1	1	1	1	1	1	1	6689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6868	11301	13663	1	1	18787	1	1	9519
C36 H59 O9	254161	33042	46151	128981	805587	31581	249106	241800	37643	16670	169245	34911	47526	72614	408845	111045	97335	356816	316169	101500	31586	110133	1	57876	878533	436598	838090	35554	63037	168079	44227	19233	17314	43920	1	1	154888
930.5614@6.2842803	1	1	1888	1	1	1	1	1	1	1	4517	1	1	1	1	1	2853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
643.3485@6.295	1	1	11137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.5286@6.3052125	1	1	14127	1	1	1	1	1	1	1	1	1	7937	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
885.5366@6.297	1	1	27881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
745.453@6.243471	1	1	18664	1	1	1	1	1	1	1	6994	5272	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12222	1	1	1
662.4001@6.320037	1	1	6454	1	1	3130	1	1	1	1	1	1	1	1	1	1	1	1	7189	1	1	1	1	1	1	1	1	1	1	4894	1	1	1	1	1	1	1
923.5141@6.2941384	14614	1	10776	2588	1	1	1	1	1	1	1	1	1	1	1	1	13648	1	1	14236	1	107982	1	1	1	51092	1	1	1	1	1	1	1	1	1	1	1
725.4223@6.3109884	16134	1	29419	22177	1	1	1	1	1	1	59341	1	1	1	1	1	1	36306	1	1	1	1	1	1	49105	1	128463	1	1	1	1	1	1	1	1	33539	28761
881.5054@6.233009	21498	1	17902	22050	1	1	1	1	1	1	51114	1	3257	7202	1	1	45122	1	16758	43028	1	73135	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
922.6299@6.2725844	1	1	7399	20965	1	1	1	1	1	1	1	1	1	1	1	2315	1	1	1	1	1	1	1	1	1	1	9049	1	1	1	1	1	1	1	1	1	1
765.4477@6.248923	1	1	4490	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2390	1	1	1	1	1	1	1
779.5437@6.280878	8223	14288	14416	1	1	16374	1	1	11749	13374	113659	51743	14020	6010	1	1	1	1	1	29771	1	20974	1	53145	1	1	1	4079	1	1	1	1	1	3569	14283	1	1
879.5551@6.20763	1	1	18774	1	1	2615	1	1	1	10443	1	1	25565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11403	1	1	1	13632	1	1
795.0674@6.3	1	1	2917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
739.4018@6.1945596	1	5746	10957	38499	111530	1	92292	49588	11466	8284	1	14792	1	1	91829	1	1	81763	70258	1	6634	17252	12654	8400	173762	70894	131456	8780	8616	33300	9616	4770	1	1	1	41340	25056
707.4179@6.2172894	1	1	3366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8230	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16898	1
891.5799@6.301	1	1	6293	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
709.4292@6.274426	58607	1	20837	18620	1	1	94242	44076	1	1	53651	1	23794	1	1	12426	1	53185	1	4736	1	15628	9072	1	1	25572	1	1	1	7922	1	1	1	1	1	1	1
3-Buten-1-amine	270829	300987	277974	211246	444609	347593	253388	164486	270450	370157	589882	252960	424505	180196	212450	193282	177323	155043	126320	1236585	174966	617038	121570	383347	206492	378561	174693	236195	88004	96572	132482	166928	158289	195774	220653	180570	168731
C42 H61 N4 O S2	1	1	69452	21615	88377	1	98693	1	1	8347	1	11704	50652	2841	1	57636	32223	1	9880	148926	1	224775	1	1	14176	118673	27011	1	1	19544	49905	1	1	25420	11830	1	48801
884.5937@6.302	1	1	9546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C37 H59 N3 O8	1	1	26451	48782	328248	1	171069	49001	1	9882	75788	17130	56328	51095	122445	86804	42396	70773	1	1	1	1	52367	1	1	78078	1	1	10508	1	1	1	1	22075	1	95330	62669
781.5591@6.291927	46124	36469	105726	40842	1	48482	1	1	34290	29949	1	1	98414	1	1	1	26205	1	1	1	18705	50573	1	1	1	62340	1	15647	1	1	12830	18139	1	22598	1	1	26796
823.5486@6.2920547	1	36523	10460	1	1	8345	1	1	6317	9311	12199	1	8423	1	1	1	1	1	1	1	1	1	1	3470	1	1	1	45513	1	1	1	1	1	1	2460	1	1
808.5782@6.3269615	1	1	67608	1	813671	68444	1	1	1	56135	1	1	61980	1	1	1	1	1	1	1	1	1	1	52310	1	1	1	1	1	1	1	1	1	1	1	1	1
961.5498@6.305397	1	1	10794	1	1	1	1	1	1	1	8593	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
861.6042@6.31493	1	1	11651	1	140247	1	1	1	1	1	1	1	25238	16525	35106	1	1	1	1	27973	1	40709	1	1	1	1	81406	1	1	1	1	1	1	1	1	1	1
946.6349@6.3132734	1	5764	8556	1	10322	8091	2150	1	7450	6353	12320	4393	6234	1	1	1	1	1	1	13203	1	5088	1	1	1	1	1	1	1	1	1	1	1	1	3132	1	1
843.6465@6.319154	12598	18389	26822	1	1	20410	1	1	17806	17812	26327	14583	17824	10606	1	12528	10176	1	5645	1	2186	17282	1	11912	1	1	1	1	1	2577	2575	1	3369	1	10730	17617	1
784.5787@6.303	1	1	7253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
507.1513@6.3193593	1	1	5489	3391	1	1	1	1	5396	7494	9455	5192	7679	1	1	1	1	1	1	15902	3667	7489	1	8158	1	1	1	5045	1	1	1	3166	1	1	5245	1988	1
2S-amino-pentanoic acid + 6.319823	1290235	1404112	1311930	984202	2138896	1625886	1203254	776917	1195480	1791242	2957038	1235396	2056149	807952	946309	853572	804105	690850	572650	6047505	759369	3029081	510647	1894756	939594	1744010	747482	975641	380481	406797	576656	743495	687417	842249	1017066	789757	733990
817.6272@6.315239	1	8383	23066	9632	1	12616	23583	1	1	6785	14287	14688	17879	7089	1	6573	1	1	1	4378	3071	16043	1	1	1	16320	1	1	1	1	1	1	1	7613	1	1	1
763.4357@6.3182545	1	1	1971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14789	1	20945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
753.4222@6.2633877	1	1	9630	8441	50003	1	1	20207	1	1	1	1	1	3448	17314	16724	1	1	1	1	1	1	1	1	19270	1	28945	1	1	1	1	1	1	1	1	1	23803
875.5855@6.263925	1	46043	16301	1	1	12854	1	1	1	36606	1	1	42707	1	1	1	1	1	1	23933	1	1	15320	25563	46751	168413	1	25134	1	1	1	1	1	1	1	1	1
878.549@6.219427	1	1	5424	1	1	1	1	1	1	5092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9228	1	1	1	1	1	3597	1	1
755.5426@6.27439	6054	1	17402	45981	1	10208	1	1	10855	13863	1	10145	31708	19938	1	33452	1	1	9987	1	2185	1	1	52225	1	1	1	1	1	1	1	1	1	1	26780	1	1
797.5326@6.262022	1	1	7812	1	1	3398	1	8971	20443	14811	1	4207	5063	1	1	1	1	1	1	1	1	1	1	3312	1	25613	1	1	1	1	1	1	1	1	1	1	1
779.4236@6.391583	3686	1	4514	8294	1	1	1	1	1	1	1	1	15419	12209	1	1	11817	1	1	1	1	29634	1	1	1	1	1	1	1	1	1	1	1	11986	1	1	32807
805.5471@6.3419127	81878	5546	68008	1	1411435	71732	1	1	1	66127	1	1	57908	1	1	1	16114	1	1	1	1	17884	1	48957	1	59523	1	1	1	1	1	1	1	1	1	1	26747
831.5622@6.308235	1	24179	190037	65106	783018	1	1	1	20053	1	1	77283	121100	102892	99964	138842	1	1	1	317562	1	1	45606	45916	1	1	1135882	20193	59949	1	1	1	1	1	60267	90530	1
899.5149@6.2114425	1	1	21021	1	1	5050	1	1	1	1	149899	3850	1	1	1	1	1	1	1	1	1	1	1	1	28309	99650	1	1	1	1	10547	1	1	1	10916	1	33297
C4 H7 N3 O4	81805	92357	91675	75520	95538	100205	68912	52569	85269	76042	125422	86514	113170	62934	55169	61577	60657	45565	43131	191526	68568	122025	45767	106568	58261	87079	44442	81240	44225	1	56067	74018	68195	74069	82768	61840	54488
667.3843@6.2930074	45409	1	26037	5766	38056	1	1	1	1	1	1	1	43867	1	1	1	1	1	1	15550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22574
C15 H16 N4 O S	15873	19175	15606	13631	18243	25563	12519	1	18350	28056	32326	15904	25130	9778	10213	9634	9982	1	1	64616	14081	30978	7487	29052	1	15960	1	18210	6753	5311	9873	12798	1	10834	17856	9284	8272
694.4609@6.312085	1	1	11653	1	1	1	1	1	1	1	1	1	1	15468	1	37275	23679	72542	152794	1	1	33306	1	1	1	116882	1	1	1	1	1	1	1	1	1	1	1
721.413@6.305599	1	1	21860	1	1	1	1	1	1	1	1	1	30274	1	1	1	12634	1	1	1	1	65356	1	1	1	1	7136	1	1	1	1	1	1	6738	1	1	1
795.5799@6.2869425	1	4239	6213	1	15635	3318	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7907	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
188.08@6.305256	1	25305	35648	22767	30522	16199	7230	5850	34756	36327	30561	12155	15251	1	13771	1	11167	10319	1	1	1	1	1	1	1	30050	7630	1	1	1	1	7826	6767	18379	1	1	12272
489.3458@6.308818	1	1	6255	1	1	1	1	1	1	1	1	3770	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
681.4055@6.251462	2163	1	20777	37072	1	1	1	1	1	1	1	1	1	14725	6252	2561	1	1	1	1	1	1	3720	1	73737	1	97369	1	1	19916	1	1	1	1	1	1	1
C17 H3 N3 O3	1	22144	24585	18427	17613	1	14547	15405	1	1	1	22622	9450	7151	1	1	1	1	1	1	19113	22531	14382	1	12441	1	9942	19508	13857	1	16630	19551	17376	16234	22515	1	1
735.4266@6.313911	1	1	13611	1	74528	1	1	19438	1	1	29802	1	16098	1	1	1	1	1	1	16117	1	1	1	1	1	21493	1	1	1	1	1	1	1	1	1	1	1
C27 H52 Cl N3 O	4465	1	6900	1	9088	6324	1	1	7489	1	1	11582	1	1	1	2809	1	3591	1	1	8362	9078	1	14382	1	4548	1	4295	1	1	1	3242	4126	6791	1	1	1
751.4294@6.2809825	1	1	1838	1	1	1	45079	1	1	1	30665	1	1	1	1	1	1	1	1	15749	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H66 Cl N4 O8 S	118312	30056	94486	85695	759327	1	334498	260093	22006	21307	147110	26885	60334	101807	111355	73227	113972	216727	104252	98410	1	1	1	25928	336582	56584	1	1	1	19105	1	1	1	31976	9279	211822	51114
C31 H58 Cl N5 O4 S	69657	12420	58520	52684	364268	32984	106634	37792	1	15499	126431	28361	94737	52740	93831	91145	62387	66996	25723	59774	1	184257	49170	32006	37386	115236	64084	9857	1	34028	21118	1	1	39907	15500	76799	71225
C30 H61 N9 O S3	289205	24871	77704	194785	1355304	58193	837500	351431	18438	55547	406792	46324	287362	274211	457855	447611	289958	494948	246280	349711	9513	559537	212415	27227	148285	545838	263941	7694	82382	103976	40014	9344	9390	127712	56972	583656	365039
549.3423@6.3215413	1	11949	9059	1	1	1	1	1	14509	1	11148	3071	11918	1	1	7261	1	3165	1	12697	1	20801	1	6980	1	10905	1	1	1	1	1	1	1	3848	1	1	1
C35 H58 Cl N5 O4	160192	15538	100288	89498	512571	1	504960	367684	23990	31414	225265	49211	103426	84647	239138	181152	130963	255561	102699	151119	11708	206312	74976	33432	204777	286489	1	18099	38162	151966	30238	9116	9262	65752	47896	298724	171601
C42 H65 S4	1	1	34522	1	1	8896	1	59838	1	8851	78523	18282	76519	26359	115232	84560	48992	1	26227	1	1	1	29072	11075	1	1	1	1	1936	1	1	1	1	45706	1	1	128386
C17 H31 N O4	98673	35769	108271	42405	44888	29850	70866	33971	45045	21669	38704	177658	212204	49232	101313	27430	22388	22005	20750	30879	166369	155648	37831	145613	28005	81757	63222	29882	83811	15150	26343	75433	55057	59762	33038	35080	80135
C24 H47 N O S2	30715	10177	14488	4084	14032	6432	18367	8525	4955	4040	6193	14184	26856	4467	6867	4432	5778	5513	11043	11191	27085	18583	1	43696	6108	9282	8100	5719	21041	1	4972	9927	7371	8152	6546	8642	6247
C13 H22 N7 O4	1	104885	10731	176541	21049	72775	1	1	84394	8753	1	94116	140094	162030	7384	101027	98079	94308	75674	1	87437	279726	131327	77155	8130	13681	10679	71778	64719	1	79171	114058	60399	60982	1	1	77056
357.1994@6.3411026	61734	1	81651	1	128157	1	71339	1	1	76237	88116	1	1	1	62198	1	1	1	1	79884	1	1	1	1	69608	96764	89717	1	1	67134	1	1	1	1	65872	59934	1
833.5774@6.353084	176587	1	41067	16024	437019	1	65510	59641	1	1	98566	23168	1	45670	126361	48831	47690	56479	72740	28549	1	76080	26652	10322	79661	171687	187147	1	21317	121036	1	1	1	25978	18570	67815	37151
C33 H61 N3 O9 S	145691	19084	359927	192786	604582	77443	1282305	479717	1	59196	384060	137029	338989	275072	566614	480844	370098	1041539	203152	376246	16563	797218	300931	35215	571413	423511	457407	53820	97739	319225	139749	20431	20795	294959	131300	1041706	943100
N-palmitoyl glutamic acid	1	10802	6475	1	12084	10448	1	1	5698	8344	6438	1	1	1	1	1	1	1	6853	15927	15252	1	1	16943	1	8015	1	2605	13740	1	5271	3879	1	1	1	1	3531
835.5934@6.3548064	1	14862	81083	98890	1315740	1	1	1	1	4973	196770	35061	78444	61970	193096	132739	91993	210038	1	1	1	96533	74578	1	336190	332456	1	14047	41974	1	51290	1	11404	50128	1	152810	51700
C13 H40 N14 O4 S	15382	60177	44329	79209	51092	51867	63353	44689	55631	49135	47889	46885	55837	53475	44182	41221	45027	45273	45971	46220	1	68956	56589	50571	49112	52208	53832	47489	45246	33872	45944	46868	45105	45904	41071	48916	44089
C30 H41 N7 O3	1	26479	12324	1	32275	11291	9699	1	20943	11348	14866	8841	12818	12758	6362	7930	7771	11974	7672	32913	7357	16432	1	11816	7407	7800	12766	7257	8305	1	9102	7137	6853	6750	1	9778	1
C36 H61 N2 O S3	83832	1	75860	70201	195077	29743	277671	165353	1	16457	62640	33369	69660	64746	178098	122429	86251	246567	88842	90302	1	126127	73525	1	256717	109375	268765	1	36497	107424	34364	1	1	51117	1	167028	168844
C29 H55 N13 O3 S	656257	35311	65434	259969	762556	48712	277765	351074	38194	34543	103021	1	1	94692	807897	171612	89350	501137	743161	126701	26351	1	105826	43952	2570569	846808	1826977	71877	79032	236984	41051	18252	29543	1	41519	173049	179483
C31 H64 Cl N O8 S	45634	1	43124	115605	808200	20396	269184	152459	1	16000	1	28750	102749	132251	255199	228533	154232	295202	99679	1	1	1	179330	1	100448	283911	415725	1	49210	86622	33286	7019	1	85062	28186	283772	209479
C29 H49 O2 S2	19986	1	15813	11058	85022	1	55486	48399	1	1	22444	1	15298	13947	52974	21987	16911	55288	35943	6076	1	37273	1	1	80345	43768	79304	1	1	10796	1	1	1	1	1	33745	34845
C24 H43 N8	11158	13360	17714	9283	38121	11318	18562	7099	11723	9160	12739	22820	29933	9910	22298	12440	12495	17984	16102	11989	18548	18907	10018	22676	12577	20650	28006	9222	15235	3341	8603	9897	12729	13043	6088	12374	16708
653.3909@6.3722744	8122	1	9584	1	1	1	72409	29734	1	1	1	1	1	8479	1	9242	5544	15980	1	1	1	1	1	1	1	3687	1	1	1	9470	1	1	1	5285	1	27487	25206
C7 H8 N2 O	409342	436649	704544	291027	532373	326917	480901	375128	667987	369839	627303	286960	543249	526883	366059	256774	412182	424796	419547	514224	663186	1098200	253042	468595	166377	422062	264363	408917	237514	106769	360620	530656	182508	459255	670511	504586	347574
C24 H41 N8	28203	8314	24145	14240	33668	13142	26758	13681	19011	9111	13429	43527	67725	1	44865	10913	9775	9004	8931	18286	44949	47291	8768	54763	13134	30124	26253	12588	38490	8328	9449	17575	17289	34338	10028	14494	36293
679.4426@6.3809533	161746	1	21977	46552	165433	1	113749	1	1	1	1	10480	1	1	152362	1	1	94514	149608	35460	1	1	16301	1	388386	162366	422548	1	1	44055	1	1	1	1	1	69979	78654
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	19807	142586	143936	37119	160596	93652	92296	15834	41848	97603	65530	113655	102041	80331	92633	23804	40409	33882	44954	114473	80715	118719	33177	36568	27957	89733	113248	73355	50765	19225	43383	146359	16509	81639	1	107859	103886
C36 H45 N11	9791	1	18093	1	57542	1	1	24685	1	1	19690	1	1	8600	1	22631	18482	38078	22814	1	1	1	1	1	21107	1	27355	1	1	1	1	1	1	11060	6731	1	28222
PD 173074	4025	9834	8621	1	25476	6435	7717	1	7195	1	7694	1	6521	1	8883	1	1	8596	9191	6398	1	9301	1	1	11013	7781	12382	1	1	1	1	1	1	1	1	5397	1
311.2095@6.39893	10325	1	12024	1	1	1	8236	1	1	1	1	7746	15387	1	7510	1	1	1	1	1	7698	17843	1	13337	3050	7598	1	1	9316	1	1	5146	4957	8546	1	1	1
707.4034@6.3928003	1	1	9547	1	30839	1	34693	1	1	1	12169	1	1	1	1	12818	1	18162	1	1	1	1	10375	1	1	1	1	1	1	11396	1	1	1	11879	1	1	1
C34 H67 N3 O4 S3	342314	11338	190772	151893	309744	40364	989741	700981	1	28405	260879	49755	148026	185863	381950	383631	233139	617997	289015	1	1	254380	140658	12563	408193	334820	471644	1	68651	300609	81414	9386	7809	125289	90525	602193	477504
C34 H49 N7 O4	201025	18513	115562	165811	297695	39729	405833	295032	26981	32108	129680	45860	110928	106127	261580	299091	1	1	1	79927	1	1	122221	1	201503	258929	317085	1	1	155202	64429	16798	1	92017	55461	307083	393115
C7 H11 N O	1	139364	294645	1	260870	129388	1	1	198358	131578	167337	327656	152181	109399	181868	105565	89030	72839	1	244862	1	401861	70992	1	85967	164759	182104	162917	1	1	148478	86441	1	75788	1	82780	1
2''-O-Methyladenosine	109024	82852	206954	81436	139345	74331	112893	64754	114270	71656	78398	109339	117007	65212	74344	53413	67238	58300	46085	197767	83582	301370	46787	96179	54902	120407	98860	63099	59454	33730	69750	78238	51407	58750	53779	61882	49864
664.4146@6.403508	1	1	47887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	105447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
807.5627@6.3825874	1061897	111754	152750	28293	1	59262	255019	257364	86552	55556	349913	94017	192302	52913	1091420	324437	388231	451606	414956	167185	22305	382017	203191	40342	993413	38352	2202934	40325	92613	292204	130525	29363	16596	37069	54132	277002	247062
19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol	7334	1	8430	1	12073	5102	1	1	1	5569	4305	1	21490	1	7702	1	1	1	1	7644	16310	13451	1	18787	1	7816	5057	1	17090	1	3357	5237	7626	11201	1	2843	7407
C16 H35 N O10	47286	63331	52383	86891	73246	47639	50316	45167	45956	44365	50119	49012	69186	74437	47416	53753	54539	51725	44497	48501	41765	130803	68136	41006	47613	69549	52525	45113	38709	41297	47517	1	38765	40035	37306	45841	43591
661.3968@6.4051466	1	1	47773	1	151414	1	196228	86768	1	1	64337	1	48743	54573	1	1	62700	106516	1	31891	1	83570	55394	1	1	1	1	1	1	31666	24215	1	1	43324	7030	145966	62654
C19 H51 N22 S2	99313	1	12719	46860	192080	1	39162	50757	1	1	1	7919	13577	1	144929	1	26980	46346	125943	1	6423	1	11564	9564	319366	174753	359653	15285	23693	1	1	1	8736	1	1	1	25799
2-Hydroxyfelbamate	10482	5655	12858	4492	18870	4607	8185	7688	5557	1	15881	6278	7078	4234	8364	5923	6524	6282	3662	23407	1	52155	3713	7584	5050	13682	18386	4026	1	6687	1	5103	4407	6985	1	6727	6267
Fibrin	95740	350502	171610	79412	206275	124900	71461	96610	126676	201389	259568	60411	57174	153945	87414	105682	254962	172007	169747	376978	86499	129758	95532	76511	104289	153388	304971	87113	85423	45252	107596	85340	61862	53694	34722	63859	60917
659.3791@6.4306164	1	1	4627	1	1	1	1	1	1	1	1	1	1	1	10155	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6226	1	16126	1
C29 H55 N3 O8 S	115338	19923	136273	125098	380994	54603	450745	267324	29587	27474	148572	60458	142810	117805	327324	207761	160565	388040	112001	65198	16603	195780	139428	21469	304829	253786	296554	25826	54453	159883	64598	21543	18292	151172	47555	318486	377371
797.4334@6.438	1	1	22339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
717.4249@6.439	1	1	5267	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.1258@6.447583	1	10835	23802	1	1	1	1	1	1	8281	12003	10288	1	1	1	1	1	1	1	19814	1	16840	1	1	1	9612	12306	1	1	1	1	1	1	1	1	11646	1
C35 H57 O9	1303761	51999	218321	475213	1931127	79724	2217385	1902755	78644	6550	414546	96385	230672	326375	1382549	640718	352356	1563216	1011981	176976	51800	406461	376948	74287	1675175	1161148	1814254	53147	204544	732915	90532	35253	43631	165109	124793	1215385	745553
C24 H49 N S2	17344	6371	17724	11019	25754	1	19421	9748	12615	6386	8411	36233	48081	4337	33075	9076	1	8548	7503	6803	30270	25778	5770	32841	9483	21332	23038	7544	31130	4171	7139	12478	12092	17100	4140	9187	26647
C22 H37 N8	1	1	20425	1	22375	1	19371	1	1	1	1	32130	43675	1	27803	1	1	1	1	1	28799	31358	1	29126	1	18637	15885	1	26053	1	1	1	1	21412	1	1	26481
835.5934@6.4524255	670480	1	67813	92665	1	1	1	1	1	19179	124993	31659	1	86735	1	1	112150	1	186123	1	1	1	52815	11918	309304	422442	1	1	1	1	1	1	1	1	1	1	1
C30 H51 O3 S2 + 6.459119	5318	13103	11532	1	27516	1	10137	1	1	1	8946	7405	8494	6059	10526	6417	5521	7490	7225	6634	1	8198	1	1	10851	8501	17158	1	1	1	1	1	1	3676	1	1	1
131.1308@6.462798	1	10650	14825	1	1	1	1	1	6207	1	1	1	1	1	1	1	1	1	1	1	1	13028	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H29 N O4	52555	17708	54652	30337	33839	9524	39831	19077	17142	10432	14988	62373	131851	12539	50216	13383	11539	11871	12824	30086	59553	101776	11466	73075	18765	47067	38383	10963	58251	1	10906	33818	33332	36437	36895	14735	37919
401.2769@6.468075	7940	1	4954	1	1	1	6603	1	1	1	1	1	6546	1	1	1	1	1	1	1	4727	6003	1	7825	1	1	1	1	5619	1	1	1	1	1	1	1	1
306.115@6.4683075	1	1	7746	1	1	3707	1	2035	4943	1	6614	1	3947	1	1	1	1	1	1	7298	1	11311	1	1	1	1	5308	1	1	1	1	1	1	1	1	1	1
603.3537@6.488152	1	1	5531	1	43609	1	1	1	1	1	1	1	1	1	1	7608	3312	9821	6261	7013	1	15337	13599	1	6771	6784	1	1	1	1	1	1	1	5910	1	11652	1
C31 H59 N3 O9 S	347574	20786	279504	190923	414593	54658	1274595	706539	1	42171	299496	80744	169323	226580	516325	431291	283075	1143280	340696	125374	14023	370988	216395	17925	406344	393213	617782	1	100700	356301	104399	13252	13386	175928	75243	717407	808906
C13 H3 O12 S5	4333	30367	17630	35263	21398	22458	27638	1	23904	20613	22583	19073	24295	22005	17512	1	19210	1	20067	21574	20137	21415	20925	19590	20239	18983	22503	18192	19647	16788	1	18440	17910	17137	17227	15432	17618
C31 H61 N3 O4 S3	97527	1	502594	96390	550849	1	1105711	432693	1	35643	247180	154371	229022	186502	623726	380977	316028	1428679	219271	100877	1	460564	183338	17969	493481	418704	401153	15560	96063	198510	102688	10096	1	369071	1	722823	1233783
511.3239@6.486	1	1	6175	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H39 N O11	40709	58490	42510	72535	56492	36582	43351	35120	37079	37580	42558	37791	52041	60611	38661	40314	38580	43976	36886	40251	32216	103801	54954	36117	36827	58806	41406	33094	35775	30810	35455	51477	33308	33072	34136	36447	36999
DL-2-amino-octanoic acid + 6.4934916	1	187995	176130	37292	119107	119418	1	1	91443	144525	214676	64121	58182	61031	1	59460	112155	91716	60538	344977	66900	66367	40435	68954	1	96201	102635	92033	61078	1	75959	38365	59797	1	1	1	1
807.5627@6.4858313	972561	52789	136814	273574	2386850	32678	261185	232886	1	1	298807	69404	156927	221646	1132999	288198	375347	414841	335760	146280	1	300720	173175	30834	912617	1350747	1921275	41950	87831	256511	103704	22942	20358	123498	54135	228249	233295
C34 H55 O9	623728	48505	224049	447432	2039016	64584	1123065	795337	59997	54170	272405	118756	262605	287059	1403610	582743	347034	1230145	497014	94059	26699	468801	478812	43089	1489970	1024894	1392197	49830	145239	626196	107098	38698	49960	193064	92647	845989	817497
C33 H53 O9	1853676	111008	271661	722240	3970214	156945	2631934	2025799	1	86577	733019	138330	368326	498910	2455750	949820	608628	2407998	1695739	314902	76222	632604	657191	138342	2862584	2105780	3369499	92026	339814	871676	180966	58434	63035	260726	136863	1592540	1316881
657.3973@6.4957185	1	1	13148	1	1	1	6403	12009	1	1	10597	1	1	8857	1	1	9300	1	1	1	1	1	1	1	1	1	1	1	1	9589	1	1	1	1	1	1	1
745.449@6.5826335	1	1	10096	1	64095	1	1	1	1	1	1	1	1	16460	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14693
N-palmitoyl glutamic acid + 6.5176063	21669	1	17287	10871	22432	1	14480	9878	5799	1	1	29383	43602	1	23133	4975	5321	1	1	7548	26378	25299	1	28391	1	17507	21276	2780	32360	1	3371	10094	12803	17066	2685	5980	15768
665.4479@6.506688	59375	1	10548	17912	1	8727	1	1	1	1	1	1	1	1	1	1	1	1	58936	21662	1	1	1	1	168686	1	87495	1	1	1	1	1	1	1	1	1	1
C34 H43 N11	1	13486	54301	78627	680858	1	274535	148900	1	15749	1	1	1	1	191994	1	81395	237163	1	1	8453	1	97100	21323	241920	221115	303871	1	39952	1	1	9789	1	1	13560	1	1
C12 H34 Cl N8 O2	1	4024	13073	8418	1	4947	1	1	5198	1	2733	9973	13396	1	13324	5662	1	1	5975	7246	5974	12147	1	28127	1	9709	16080	1	17875	1	1	1	5481	1	1	1	10282
Corey PG-Lactone Diol	42791	1	24398	11247	14057	1	25670	15445	1	1	1	19283	40980	1	17385	1	1	1	1	1	13585	40376	1	26597	5819	18151	13643	1	22425	1	1	12905	12626	18417	1	1	14129
753.4422@6.5427628	1	1	13948	1	45413	1	54705	20602	1	1	1	1	8412	8535	1	15670	8035	47788	1	1	1	21119	1	1	1	1	1	1	1	19988	1	1	1	9641	2294	41344	39857
C14 H12 N2 O3	377017	9960	14858	271602	541780	19189	614812	386451	7918	7678	253097	12135	132292	90174	525283	234839	135008	372413	408695	85576	2368	228071	84238	17980	682612	1010460	1096666	17870	39871	26056	9171	1	6780	11347	8136	101380	143295
C22 H45 N S2	14091	1	13577	1	17743	1	11855	7025	8485	3327	1	33710	35118	1	23349	1	1	1	1	4282	28887	21279	2793	26939	1	14510	15220	2258	27260	1	1	9866	8885	13479	3255	6137	16034
C35 H43 N8 O	1	1	4315	1	84047	1	53106	51775	1	1	1	1	1	1	43494	15420	9499	31814	33713	1	1	15828	1	1	30460	63600	30264	1	1	1	1	1	1	1	1	25630	1
672.5208@6.550808	1	1	10394	1	36720	1	1	8369	1	1	1	1	8232	1	8445	1	1	7093	6098	1	1	1	7018	1	1	1	1	1	1	1	1	4790	1	4601	1	13665	10153
767.4581@6.5532007	26922	1	19873	17881	31895	1	166417	128279	1	1	22665	1	16833	21435	41272	38176	1	93293	1	10627	1	24570	22626	1	37185	23893	34670	1	8802	32881	5760	1	1	15052	9506	92770	60162
2S-amino-tridecanoic acid + 6.56059	10976	16262	17234	6028	14904	5966	17394	14506	10657	12657	20543	9200	9690	1	17787	1	13122	11689	7405	19854	12984	13286	6791	7081	14827	14253	11200	5926	4135	13373	6444	7602	14124	8728	5074	10817	12712
C32 H51 O9	1220329	154540	555714	1204734	7235586	278386	3327880	2069959	177223	159015	1168783	290620	796802	815251	4154979	1584602	1052713	3543486	1472955	415316	102347	1341169	1447447	181338	4283413	2929995	4204397	179764	428021	1209236	318747	130659	112354	529503	208586	2333017	2307816
C20 H43 N O12	34431	43883	33448	52626	46893	31473	36563	30662	30808	29203	33121	31103	39890	49846	29754	34048	33305	35922	27817	28695	27848	82926	37336	29093	30882	49250	35909	29271	26955	29765	31031	44079	27646	25525	29036	28445	31734
385.2819@6.574148	9706	1	8132	1	7896	1	1	1	1	1	1	1	18648	1	10881	2510	1	1	1	1	8482	15184	1	12106	1	1	1	1	1	1	1	1	1	1	1	1	1
717.4215@6.706364	1	1	9451	1	1	1	1	35544	1	1	27845	1	1	1	1	1	1	1	29893	1	1	38346	1	1	1	1	1	1	2304	9698	1	1	1	1	1	32878	1
Indospicine	407343	55807	77393	138660	326669	47476	265213	232934	39006	1	104257	44514	102920	99297	281917	80628	147818	257413	189788	1	1	144292	80374	29420	98940	391775	302667	38499	35055	37843	79356	60925	17237	45479	36899	64967	74563
C15 H44 N14 O5 S	10703	56950	48313	60401	1	37420	57795	45286	46656	44204	42388	38704	44327	43104	39808	41375	41725	36038	39664	38658	38182	50826	51914	43009	49231	45494	50193	36888	38325	41316	44198	41196	42279	35875	38813	40630	38966
C43 H74 N O6	139942	438935	564279	252810	1639812	554018	860289	390503	617750	316969	531098	697524	684761	444175	498531	561576	432815	731663	330230	342653	377310	375649	494280	251491	367274	286935	409053	342895	243168	135425	407261	368565	445564	470480	367837	651340	462142
130.1103@6.589767	1	1	22406	1	1	1	1	1	1	14389	24260	1	25560	1	1	1	1	1	1	33901	23375	21988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H N2 O8 S5	19749	28246	19361	30859	1	18609	26705	17802	24165	18386	19777	19235	19210	18160	17470	17915	1	16500	17136	17537	17408	21714	21253	16552	20832	19323	19080	19664	17957	1	22701	16196	17400	16792	17174	17446	1
551.3944@6.5830207	35113	105458	137411	18959	1	66288	115137	45678	1	1	1	76078	80710	46131	51512	51939	43096	4254	1	39393	1	4292	35974	1	38656	50302	2245	59585	50690	1	49631	1	38712	1	36922	58924	39289
C35 H57 O10	1108921	19347	80452	241023	862937	30028	580721	694222	20110	20737	1	28309	99037	68236	670861	194030	105758	417171	448214	61800	15932	175477	124373	18524	739966	665182	674802	12866	62338	217622	28046	1	13447	49698	47768	327496	200010
C35 H49 N2 O6 S2	1	17799	15498	1	1	13676	1	1	29942	7701	1	16490	14990	5618	1	4545	1	1	1	6964	13508	4557	6938	11289	1	1	1	14687	7334	1	13314	16394	17826	9659	7859	1	1
231.0095@6.603	1	1	3129	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H54 Cl N8 O S	41655	282295	218638	19473	212844	87990	148181	61226	140643	80784	89967	67853	75815	78874	48807	77960	49839	86566	54422	85533	48521	78584	38105	87866	37144	62425	79759	95129	61113	30289	70368	60067	48300	94532	46192	60595	47613
C28 H51 N6 S3	27822	8509137	4552706	147220	3805236	4775011	495438	1	8964603	2426495	1625073	3882332	3490980	1406813	87749	829826	804079	277190	272137	2223714	2432648	1358216	1344393	2409249	212650	1	302761	2851156	1371356	336442	2533209	3158288	3565155	1853766	1473185	494596	219319
689.239@6.658449	1	7008	3411	1	3463	3695	1	1	7334	1	1	4063	1	1	1	1	1	1	1	1	3434	1	1	1	1	1	1	3079	3061	1	2840	4206	4152	1	1	1	1
C26 H55 N O6 S4	1	106338	43489	1	39800	42682	1	1	80979	17745	17079	20228	1	1	1	1	1	1	1	20483	7385	1	3177	1	1	1	1	6479	1	1	6577	10424	16357	1	1	1	1
C28 H47 N15 S	1	117376	55858	1	1	48248	22050	1	139654	15913	18339	36099	1	1	1	6972	6395	1	1	20730	17022	1	1	12608	1	1	1	21481	1	1	15208	21317	31993	11564	7763	1	1
223.1065@6.6072083	1	1	9632	40848	1	1	1	1	1	13092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C37 H58 N6 O S4	1	81144	27574	1	12431	31164	1	1	28458	12609	12016	5175	3811	1	1	1	1	1	1	12673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C39 H65 O8 S2	11888	1	45648	21921	102219	1	152601	67340	1	7809	60781	17568	1	36453	53095	59105	35461	94780	32347	1	1	72630	46755	1	1	23719	1	1	11097	38458	15780	1	1	37521	12077	102694	96327
549.3196@6.60588	1	1	15110	1	1	1	1	1	13290	1	1	6011	4767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6851	1	1	1	1	1
381.2525@6.6175404	1	1	3541	1	1	1	1	1	1	1	1	4173	3403	1	1	1	1	1	1	1	4812	1	1	3689	1	1	1	1	1	1	1	1	1	1936	1	1	1
731.437@6.643628	1	1	22052	1	88268	1	1	1	1	1	1	1	1	23741	1	45910	28845	1	1	1	1	40313	1	1	1	1	1	1	1	1	1	1	1	1	1	55718	54136
C35 H53 O4 S2	59752	19362	69019	19511	1	29818	559272	65840	18283	37317	1	29199	9851	1	1	1	1	1	38959	5433	5278	1	8773	20709	52323	1	1	28631	36342	18394	40252	19466	25076	10963	1	1	1
1132.6462@6.679582	1	85147	13974	1	1	17713	1	1	87964	62853	1	6332	5680	1	1	1	1	1	1	47125	117134	1	22435	91416	1	1	1	1	120780	1	114582	230004	1	48505	86433	1	1
C9 H7 O S	15485	13287	33123	52050	25322	52185	31703	30695	33327	71842	96744	31472	30610	40427	22580	26959	31807	21145	12303	1	1	39844	13776	21658	15302	24188	13680	14866	3456	1	11637	9492	13315	1	1	14418	1
304.0617@6.6423573	1	8902	4834	1	1	7177	1	1	3801	1	25805	3309	1	1	1	1	3613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
101.0477@6.64677	1	43100	23809	19996	1	1	25861	1	1	1	1	1	1	31351	1	1	1	1	1	107346	1	44393	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Threonine	100192	281420	141749	135201	221795	237467	155527	100724	210722	301967	446740	201068	211040	199868	102933	142520	146293	166934	75039	745883	92020	293323	82403	173933	101764	166798	111073	152041	34643	69662	105044	94195	105033	104608	156573	106587	97532
LysoPE(0:0/22:0)	22308	106220	219271	11963	370997	65580	104598	31753	79659	40673	98598	64740	62543	41430	37371	48933	47789	71937	54079	64009	24025	83781	22458	45342	26120	41298	52261	38245	41488	7018	48485	65345	31141	37029	25602	30445	25816
C41 H80 Cl2 O5	56505	80980	85248	30333	366735	90401	182894	112135	91802	44125	88691	87482	104831	57170	30350	1	49137	76075	1	53039	31956	52314	23810	29704	37496	1	56137	32853	1	5172	43676	31003	41609	38642	30792	64488	1
645.3952@6.63152	1	1	12288	10616	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18225	1
706.3543@6.665628	1	124612	32665	1	19927	65700	1	1	93245	60214	64940	26743	34469	16330	1	5160	2921	1	1	126327	2454	5157	1	15190	1	2820	1	8267	2635	1	4867	1	6907	4704	15396	1	1
C29 H55 N5 S5	1	25749	12778	7753	5668	13042	1	1	28118	7142	7275	12702	12334	6842	1	4167	8147	1	1	8100	16936	1	6594	13779	1	1	1	13978	10509	5001	15320	12191	18467	8337	14932	1	1
781.5591@6.644777	1	1	27935	14629	1	1	1	1	1	1	31153	1	1	1	1	1	1	1	1	1	1	20774	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8706
747.3969@6.627762	1	1	22024	1	1	1	48367	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
650.2908@6.6315656	1	10013	2876	1	1	7565	1	1	11195	1	1	1	1	2823	1	1	1	1	1	6271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3183	1	1
1108.6462@6.6316924	1	1	13543	1	14959	24776	1	1	1	8892	8376	12298	18032	1	1	1	1	1	1	1	7011	1	1	1	1	1	1	1	1	1	1	1	8683	1	1	1	1
C42 H76 N O S2	11887	35964	39032	16975	1	1	172330	59680	49224	18926	49503	36014	1	9675	35582	36780	1	31821	1	41692	26212	26890	29968	23824	18835	11271	35795	30667	22353	1	34933	1	23868	12653	61990	80910	1
C31 H61 N4 O S3	1	281703	65265	1	1	98740	1	1	224174	48376	1	79410	93847	34642	1	1	1	1	1	74683	47830	131658	1	51385	1	1	1	60982	1	1	35955	1	55940	30794	36378	1	1
C20 H45 N12 O3 S2	86028	1	827361	50109	1	1	308788	73394	1	1	1	1	1	446600	128765	241290	199926	129513	115316	1	1	322503	1	1	68731	76614	112762	1	1	23238	1	1	1	1	366488	173660	47978
1112.6746@6.635087	1	28717	8472	1	13070	1	1	1	1	1	1	4224	4409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H40 Cl N5 O	2800	170947	66696	1	49718	86948	18435	1	111657	70977	71830	54020	55237	32156	1	9537	14641	6281	5670	75019	32333	31529	8856	44729	1	2436	5670	30794	13138	1	25200	22997	34252	15519	20291	10382	2521
1111.6644@6.6977015	1	1	4305	1	1	10813	1	1	42075	1	1	1	1	1	1	12853	1	1	19780	1	1	1	1	57634	1	1	1	1	46369	1	1	66114	51965	1	1	9513	1
757.4516@6.590354	1	1	44048	8336	1	1	1	17797	1	1	16198	1	1	1	29605	1	18517	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5042	1	1	1
C30 H45 N7 O2	8108	24260	23747	1	38687	18034	17662	4685	24679	10085	15639	13319	13550	12518	6435	1	7144	17213	12118	17108	9828	16247	1	17000	1	11766	15038	12097	9958	1	12033	11161	9042	8442	1	12451	5891
C8 H15 N3 O3	1	149783	199770	1	1	107768	48074	1	132141	75916	139874	109673	128413	93586	1	1	62856	1	1	181275	49065	140092	41286	85139	1	20324	1	74681	41956	1	80510	94328	1	1	1	48561	1
708.3716@6.6435385	1	1	13466	1	1	1	1	1	1	1	1	1	1	10473	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
584.3088@6.639361	1	1	8238	1	1	1	1	1	12739	1	1	1	1	64439	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
761.4131@6.644644	14464	1	14523	1	1	1	1	1	1	1	27186	1	1	14238	1	39197	1	73290	1	1	1	32417	1	1	1	1	1	1	1	1	1	1	1	1	1	36742	1
826.996@6.6420746	1	22918	7543	1	1	1	1	1	21292	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
702.3598@6.6438975	1	38662	12665	1	1	20934	1	1	43332	25680	1	6141	6937	9485	1	1	1	1	1	30866	7805	9811	1	16904	1	1	1	1	1	1	1	1	1	1	5520	1	1
Batrachotoxin	1	56561	52806	1	1	31413	1	1	49802	18979	1	20929	24790	14971	1	1	1	1	1	13564	9938	13933	1	7096	1	1	1	13485	2595	1	13135	11486	14069	1	9495	1	1
C31 H41 N7 O2	748303	1.69E+07	8295051	765209	5500135	8484627	1986022	1	1.66E+07	6242382	6745084	7145959	8005353	3173068	1	1918812	1714954	1	1360752	9008448	4445739	2684536	1957775	3496765	729561	1	1179592	4815427	3691235	395714	4997173	4771471	4256720	3807032	3133331	3085527	1
(2-Chlorophenyl)diphenylmethane	1	6807	3603	1	1	5982	1	1	6750	21111	26034	5274	1	5813	1	3541	1	1	1	76323	1	7123	1	1	1	1	1	1	1	1	1	1	1	1	3252	1	1
843.6467@6.6297626	1	12281	5732	1	1	1	1	1	12564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C36 H53 N5 O3	1	1	37998	1	63786	26712	18328	1	58609	12709	23798	25182	25559	17596	1	11988	1	1	1	26261	18186	1	1	20271	1	1	1	1	14502	1	20683	1	17301	12495	8325	11528	1
1088.6764@6.644992	1	1	66176	1	88760	1	13053	1	1	1	1	1	1	1	1	5090	1	3941	1	1	1	14882	1	1	1	1	1	1	1	1	10153	1	1	5389	7820	1	1
C44 H65 S3	87659	1	6570	1	1	1	37021	62508	1	1	42071	1	1	1	67308	1	1	84639	61194	1	1	1	1	1	1	57866	111616	1	1	1	1	1	1	1	1	30181	33262
C30 H60 Cl N4 O11	36371	35717	22548	1	111478	17672	1	12528	14304	1	40512	1	1	1	1	1	1	1	1	33274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64584	1
555.8315@6.64319	1	21462	16751	1	22903	1	2327	1	19583	4448	8495	8897	10541	1	1	1	1	1	1	25639	1	5015	1	3646	1	1	1	1	1	1	1	1	1	1	1	1	1
807.5745@6.648491	1	38672	134765	27794	1	95266	1	1	112746	84520	128879	24872	1	70919	1	1	55068	1	1	99673	36484	1	39128	54973	1	1	1	1	34766	1	1	40331	1	1	58957	1	1
C20 H52 N19 O4 S2	5885	41177	47415	7032	53838	34904	66992	18936	35124	15272	79978	1	60239	13887	14925	11903	18894	16305	11483	77427	8320	47265	18359	13540	30200	31765	15715	15033	1	30856	10724	4676	1	10884	19706	17342	25362
C35 H67 Cl2 O3	29958	82834	174258	39551	635797	151082	106540	21327	93172	75734	226509	86971	75497	139206	55427	55885	61593	175443	75447	135143	38743	134643	62167	57817	45070	81465	103056	77798	58912	24640	102199	58056	46940	36475	18039	57218	48116
635.3181@6.640159	1	1	13424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4491	1	1	1	1	1	1	1	1	1	1	1	1	1
817.0117@6.7273498	26034	13849	15820	23973	36906	1	40425	13857	9742	123361	106416	6866	4885	78390	6333	57878	63975	1	41717	150322	99592	79581	62530	110111	18688	36464	36385	105782	89141	14819	96761	87606	99177	82021	106504	53087	29606
918.5296@6.647	1	1	5349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
740.5257@6.656862	1	7493	8961	1	1	6613	1	1	1	1	1	1	9764	1	6994	1	1	9467	1	12471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5531	1
C35 H43 N11 O	8054	1	11038	9176	112983	1	47647	1	1	1	149542	1	8660	17929	1	16672	20931	33125	12427	80983	1	11240	7343	1	37449	58430	1	1	1	2516	1	1	1	1	1	40319	35962
885.5269@6.7010765	19159	1	12567	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24631	1	1	1	1	1	1	1	1	1	1	1	1	2818	1	1	1	1
782.6289@6.725286	1	1	4879	2027	1	1	1	1	1	1	1	1	6985	1	1	5480	1	5519	1	1	1	1	1	1	1	1	1	1	1	1	6257	1	1	1	1	1	1
D-Proline + 6.653455	3128098	6708951	3380198	2702622	4294253	4827841	2822270	1455184	5523582	1.01E+07	1.25E+07	3729475	3218139	3563635	2074124	2748553	4155495	3299805	2488891	2.34E+07	2649705	5866232	1685208	5264808	2138535	3839501	2963556	2916828	1479874	897078	2431955	1940347	1956041	2162901	2501739	2033634	1781413
Isobutyronitrile	120439	251623	140590	104591	176527	183578	107165	65631	210865	370807	466510	147277	128006	132590	82240	107832	157566	134326	95862	857971	109290	234992	69517	207925	83156	144456	113195	113878	61436	34513	96216	78531	77340	91784	96984	87676	70718
817.5051@6.6574545	1	8722	12536	1	42017	1	1	1	1	1	1	1	6934	1	1	1	1	1	1	1	1	7823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
682.3905@6.650678	14714	1	69592	1	1	1	40435	10479	1	1	1	1	17986	1	13170	1	1	1	15164	35915	1	1	1	16846	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H48 Cl N3 O2 S	34143	82146	129489	15650	136885	57580	106158	1	60964	48413	88366	135734	68364	49006	39604	60666	38242	62035	53410	70080	25017	136256	19630	113445	29727	46410	60557	33572	51694	1	35150	41122	31431	29992	41790	51580	26137
C10 H7 S	35452	42421	27031	27069	18426	26185	15119	15053	29494	62654	75052	22353	18248	21706	16925	21235	33547	21664	19939	175514	28872	34333	17753	41569	22484	28712	20212	24747	19018	8387	21601	17770	1	20470	22724	17807	20184
C45 H78 N O6	10110	55279	66515	1	123279	1	1	1	74425	1	61781	1	64980	1	1	60718	1	63137	49125	56456	1	45067	1	1	1	40233	1	1	1	7071	1	1	1	50886	52196	1	1
C26 H56 Cl N4 O S4	5995	11415	15241	29477	9531	8747	1	1	1	1	13714	11368	24180	1	1	1	7918	9307	1	1	1	11918	4150	1	1	7108	1	6010	1	1	6289	6022	5881	1	6674	1	4263
713.2601@6.652	1	1	3342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H51 O7	3319036	7015260	1.12E+07	1190347	1.73E+07	4241790	1.10E+07	5258755	5035329	2736705	5761895	6679714	5545326	5319339	4192324	5031305	4234152	6771092	4198125	3892539	3586414	8883444	3113935	4213216	2786468	4264675	6177822	2876126	2585363	878477	3324994	4389364	4409706	2842832	4269965	4413432	3348030
C30 H53 N3 O3 S3	21222	13072	121061	9689	172727	30157	86305	1	1	28454	93165	33777	199373	92141	24563	1	75641	68646	36581	1	7934	184282	89121	20503	21127	29365	40786	17648	1	20840	60390	21509	17148	91615	1	119046	82567
1069.7112@6.6805434	1	1	43809	1	69256	1	1	1	1	1	1	1	1	5939	1	1	3044	1	1	1	1	1	1	1	1	1	6824	1	1	1	1	449544	1	1	469156	1	1
685.2645@6.654895	1	4727	5459	1	1	1	1	1	3280	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2947	1
C35 H74 N7 O4 S	34616	1	174223	1	316225	154710	234508	96254	131457	56596	119951	97787	91904	63516	85189	100580	88208	121753	1	108370	61074	48253	1	63137	73117	50167	87327	84699	56315	14900	61720	47406	1	59564	70275	126945	63046
C24 H47 N5 O4 S2	27594	29621	26895	38859	35835	1	29265	1	24516	22446	27977	23051	30356	38291	24623	23224	24605	33784	1	1	21256	65026	1	25553	24416	1	29788	1	20942	21638	16872	31813	21089	19595	20107	22655	22636
613.3333@6.6498113	11191	14652	38409	1	36502	10455	24295	15097	1	1	1	18235	13711	1	12077	13246	10383	16032	13311	5927	1	16921	1	1	17886	11027	16053	10587	16686	1	12802	16813	11958	1	12012	32382	11023
581.4167@6.651465	40738	139451	249364	11076	1	1	201932	74241	1	1	1	133094	118967	1	1	1	1	1	55986	1	1	1	1	1	1	1	95980	1	1	1	1	78412	1	1	48745	1	1
C29 H43 N7 O	4575	9706	17686	1	30007	5820	15737	6665	10450	6724	11998	10611	9410	6869	1	8211	5441	9006	1	8314	1	10962	4508	5491	1	4348	9787	1	1	1	6661	7366	1	1	6098	6698	1
807.023@6.656	1	1	20513	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
628.3089@6.6666245	1	13468	14474	5157	1	10907	1	2359	8127	12015	1	7325	11233	11597	8616	1	1	3429	1	14181	6966	14411	1	12474	1915	1	1	4272	1	1	1	3737	1	4965	2795	1	1
1044.7101@6.658286	1	19551	38115	1	120311	49547	120593	1	14777	1	57272	110459	90628	35641	1	1	1	55193	1	1	1	14495	1	1	1	1	8757	1	1	1	1	40698	1	1	1	5165	1
609.3645@6.665151	1517680	41342	128933	440655	1490766	74548	878184	1086363	1	1	311953	52753	190898	1	1366733	1	92468	797981	793701	1	26167	370272	222260	46593	1452720	1464722	1927533	49281	14567	298625	1	16969	23772	104512	1	590730	349391
401.1517@6.655898	1	1	5343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3631	1	1	1
694.3912@6.6498046	1	5806	29850	1	1	1	1	1	3452	1	1	7274	1	14818	1	1	1	1	1	1	1	1	1	2617	1	1	1	1	1	1	1	1	1	7379	1	1	4069
C18 H29 N8	1	4076	15277	8684	6716	4954	12327	7706	6108	1	5447	22287	40989	3170	14763	1	4707	1	1	1	21125	30229	1	30366	4617	17075	9671	1	20680	3848	1	11293	10142	16758	1	3691	15516
595.3635@6.650905	1	100140	60297	1	1	13967	1	1	96990	22984	142049	77615	22744	1	1	1	1	1	1	80282	43702	52125	1	61940	1	1	1	60675	1	1	73746	27278	47656	1	38804	1	1
806.5212@6.657296	1	1	26262	1	36663	1	1	1	1	1	1	6900	6761	1	1	1	1	1	1	1	1	5066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
748.3648@6.658	1	1	6609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
DL-pipecolic acid + 6.6582723	62469	195085	215365	120842	195176	170913	116826	53665	146677	167832	275075	193993	118450	90814	69943	77429	93110	1	37331	360620	56411	348384	78969	94358	95521	147931	1	115283	50174	1	100184	141128	73432	77753	54640	62082	1
779.4392@6.660742	1	1	1973	1	1	1	1	1	1	1	1	1	1	1	1	1	10442	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
896.1223@6.6608067	1	1	3448	1	7228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C42 H76 O9	1	1	228862	1	138378	132104	274221	41080	134930	1	1	138334	200644	79856	65434	161744	100389	125872	157743	1	69036	77485	82929	65063	127147	107711	106430	97825	53957	28041	80252	58941	98612	47280	91860	96231	96185
C39 H44 N10 O2	1	40039	34228	1	25650	33926	1	17909	57767	99537	69097	117493	67060	106947	50178	62997	55136	87367	1	151920	23746	70282	16601	47567	13996	38707	25575	34364	4108	1	26869	28566	28579	19490	41354	25478	32698
714.4183@6.681069	1	1	15925	1	1	1	8768	1	1	1	12123	1	14844	9216	6993	1	1	1	1	1	1	15864	1	1	1	1	1	3799	1	1	1	1	1	1	3305	1	1
1064.6768@6.7338667	45761	1	221359	1	1	225927	159388	309115	298406	1	226358	223578	207273	1	1	130650	117379	135992	81602	1868204	1	1	880847	1	1	1	81648	139924	1	1	143070	1548613	555331	1	2281700	423192	5003
2S-amino-pentanoic acid + 6.656693	46797	866935	927251	175379	403118	274033	1	1	268520	956823	911156	1	1	283413	223770	202485	401283	314075	162100	1331891	1	1273779	197302	133207	244212	186358	458436	843403	1	1	221428	400464	124013	248484	1	49433	225354
C28 H62 Cl2 N6 O6 S	1	69385	29978	1	79636	36222	1	1	53087	43286	95727	38900	20600	26920	1	1	29469	50063	1	58616	20931	64074	18471	26223	1	34986	1	31257	14503	1	28079	21924	19821	20769	20208	28325	1
598.382@6.662	1	1	8539	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.3636@6.660173	40188	1	30652	13913	1	1	105303	1	1	1	1	1	1	23713	68106	54819	1	1	1	1	1	1	1	1	1	39625	60229	1	1	9837	1	1	1	13319	1	71058	1
894.6133@6.662	1	1	7680	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Cys His Ser	1	1	11428	22156	45352	1	7565	1	1	1	42529	1	31825	11985	1	10822	18404	1	1	1	11561	39562	14800	5672	6164	1	1	1	16875	4354	1	12251	6849	4786	1	6911	1
C20 H41 N S2	19341	6508	20593	11426	12928	4862	12041	9552	6959	4593	5963	43412	55229	1	14405	4772	1	1	1	6461	33229	36247	1	32162	5449	17336	17588	1	31931	1	4652	13652	16133	18554	1	1	15501
577.41@6.656556	56946	75272	438600	71558	1136433	90763	305703	113187	397277	170611	276048	46451	80768	26831	229324	226381	214483	448363	81527	304599	147948	336020	137472	8470	216985	280312	291197	216413	195945	1	227645	170100	175221	160347	97512	272282	215650
650.3263@6.6655273	1	3671	3946	1	1	3060	1	1	4079	1	1	12467	1	2089	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
643.254@6.674936	1	6024	4354	8118	1	11346	1	3188	8558	1	1	4239	5926	1	1	1	1	4687	2412	1	1	1	1	6071	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H45 Cl2 N6	25784	1	77332	1	69903	59516	56116	70052	92586	54505	70927	67681	42561	64210	34420	35263	35131	57622	38344	96889	38148	88301	27298	62873	19752	44088	41918	38838	26556	1	40040	32295	37850	44547	31609	37234	27759
Trilobine	1	14775	5188	1	1	6634	1	1	12961	8066	6465	1	1	1	1	1	1	1	1	11130	1	3219	1	3373	1	1	1	5097	1	1	1	1	1	1	1	1	1
C31 H35 N10 O	1	223875	106472	1	86515	117216	1	1	199215	117814	85750	1	44282	50792	1	1	34065	1	1	149035	45591	1	23193	1	1	1	1	78282	1	1	70173	84094	43094	32898	8695	1	1
601.2884@6.669409	2956	1	7099	1	1	1	1	1	1	1	1	4821	8028	14583	1	1	1	1	1	18298	1	12328	1	17357	1	1	1	6240	1	19599	8260	4882	5895	13480	1	5581	1
C29 H43 N7 O2	2571917	8171410	6973623	1145768	1.04E+07	4860218	4845686	3147494	9352732	3251114	4266546	5300334	6951456	4938103	3705709	3000430	2610171	6344946	3460487	6097610	3217976	6466831	2513667	4880848	1900081	4667935	3639745	3182121	3052181	851294	3768657	3788445	3429503	3745557	2564280	3644712	3481586
814.9952@6.668993	1	1	3513	1	1	1	1	1	6751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H41 N7 O	1	12207	11557	1	12907	1	6710	3076	12611	1	4966	1	10109	5673	1	1	1	7494	3799	6149	4731	1	1	7274	1	1	4661	1	4258	1	3864	5482	1	6509	1	4901	2879
532.333@6.6456695	32149	1	12414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5753	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H22 N5 O2	1	23572	19947	6061	19262	18226	1	1	20200	13498	34338	4745	1	12458	6440	1	6884	1	1	15146	1	18420	1	3872	1	1	17358	15520	1	1	6126	12546	4603	1	1	1	1
Trimethylamine N-oxide	1	68642	440900	33088	42434	34051	1	1	47097	198468	97729	26067	12726	196499	43042	23318	78710	68071	21319	266733	11530	443717	21820	36142	22599	10208	35786	31343	13948	1	75376	244658	49894	1	2398	1	15094
781.5592@6.673686	1	1	5981	10307	1	1	1	1	1	1	1	1	1	20801	18127	1	1	1	1	1	1	1	1	1	1	13625	1	1	1	1	1	1	1	1	1	1	1
607.3828@6.6744514	1	1	20399	1	1	1	1	1	40052	31864	1	1	1	161508	1	280068	219361	76760	84273	140353	1	75141	1	1	88351	72467	80909	1	1	1	46077	1	1	1	11904	48888	1
C23 H55 N6 O2 S4	51506	29622	84875	1	143596	47450	1	1	1	15578	1	1	116578	83961	1	63629	25967	136812	48467	56929	1	59559	33558	1	30971	42819	34779	1	1	20056	1	1	1	26017	1	1	28907
C25 H55 Cl2 N8 O5	1	26809	41767	19435	1	1	92958	39560	1	1	35428	12638	31918	27613	57916	45023	36064	1	28104	1	1	52406	28510	1	1	58279	1	1	13094	1	1	1	1	23020	8799	64303	69452
Diethanolamine + 6.678039	61796	51091	52078	91336	50351	1	71509	79256	66669	53322	1	1	57034	50324	60801	74482	69748	58351	46755	58690	50012	108893	73273	53756	53366	67640	53676	57142	1	70596	57413	58373	55977	56758	1	59885	57709
C37 H65 Cl2 N2	39198	130157	166085	51760	1	108491	136030	19073	165962	66836	134817	147269	142842	1	74312	117570	114561	1	48509	115838	65159	86543	1	61688	1	86947	105242	88163	79664	14204	83241	75092	56191	84718	1	78333	72265
C43 H76 N O6	126450	406841	1475484	201975	2423759	1021086	1491898	1	1098099	304774	615709	1214430	1039568	655150	797615	834419	1	1063398	246706	707078	676245	199302	803571	1	1	1	667227	1	517180	93888	749939	654813	732814	535335	616726	848576	1
LysoPE(0:0/20:0)	90909	237473	336732	48555	592846	225270	313257	125527	186048	133556	216809	235055	162014	140142	150993	139861	132431	201197	168533	167925	118418	325082	83025	160760	82176	124862	275479	146284	152223	28713	152079	225936	120590	144735	136089	187364	83474
C39 H54 O13	1	6384	7743	1	1	10791	1	1	8569	21557	15929	20560	14744	9143	1	4870	11161	1	1	43056	16919	22859	9491	28699	1	1	1	24238	5558	3094	19547	24922	22892	16839	23528	1	1
C42 H36 N5 O	7058	1	2288	1	1	1	4733	4455	1	7950	8239	3857	2946	6157	1	5535	6305	6542	5779	7948	1	1	4873	1	3192	4406	4023	4151	5051	2549	5537	1	5086	4550	3988	5568	4537
PS(20:0/0:0)	14062	31933	34084	53430	1	28848	1	19225	25745	1	1	1	1	1	32706	1	1	1	1	31882	24803	1	1	1	24002	29732	22096	34957	1	53924	32356	28765	13749	1	27554	1	1
642.3997@6.6936607	1	25685	22837	1	14994	5843	1	1	1	1	7820	1	1	1	1	1	1	1	1	5165	1	1	1	3229	1	1	1	10001	1	1	1	12254	2456	1	1	1	1
645.3098@6.692476	1	8088	4845	1	1	9016	1	1	6650	1	1	11982	5132	1	1	1	1	1	1	1	11706	4675	1	10266	1	1	1	10002	10831	1	11608	17123	14308	8902	7543	1	1
726.3587@6.689968	1	5180	10380	1	1	1	1	1	1	4054	1	2687	1	1	1	1	1	1	1	1	1	1	1	4258	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H49 N8 O S4	1	100069	94435	1	70059	95832	13671	1	74382	88645	48671	111097	71664	34680	1	28206	32833	1	11817	64986	94166	75482	59044	92543	1	14635	17996	77314	85380	10179	95026	138162	115369	80318	73842	21925	12926
C27 H45 N2 O8 S	58173	133290	58806	22186	75746	110119	80023	40552	141006	126556	135898	84588	107496	119402	43561	85541	88825	87963	72362	173532	78061	119282	68051	93458	37536	57011	65714	83987	70021	15946	89703	77131	77598	86553	87290	86684	45696
Xamoterol	1	17507	16361	1	1	6147	1	1	10955	21516	24240	1	5775	8801	1	6038	6965	1	3673	45879	1	1	1	10749	1	1	1	6403	4439	1	5071	1	1	5226	3961	1	1
1140.705@6.726694	1	23234	33350	3629	1	1	1	1	1	1	1	1	17009	1	1	1	1	6409	1	1	1	1	1	1	5852	7930	11919	1	1	1	14066	1	14307	8717	1	1	1
893.0994@6.7026844	1	1	3091	1	1	1	1	1	1	2212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1860	1	1	1
C30 H59 N O10 S	1	263698	319128	1	247291	259275	1	1	191235	158373	108521	269983	177145	1	1	1	1	1	1	120791	210880	138526	140540	225622	1	1	1	221550	217213	1	236164	354922	283731	181115	153341	1	1
917.1009@6.701	1	1	4882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
565.4096@6.6920786	9073	1	43797	1	144994	1	1	1	1	1	47262	1	38079	1	1	1	1	1	1	34520	1	42180	12473	1	9297	1	1	1	1	1	1	1	1	1	1	1	1
557.8466@6.702	1	1	2508	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1243.8802@6.7027717	1	6184	4739	1	9163	7930	1	1	11811	5777	7707	1	7672	1	1	5225	1	6960	1	1	1	1	1	3614	1	1	1	1	1	1	6002	1	1	1	1	1	1
C13 H25 N O4	322092	70987	209332	162615	95803	69295	179067	106883	69980	48313	60290	288872	650818	53518	313980	64344	60933	42953	42789	190869	257549	612427	48552	383717	95337	202017	148070	44011	298204	72326	46097	169040	138761	228123	43432	55283	241534
C25 H55 N6 O5 S	880717	2210765	2179658	487255	5143305	1636050	2937151	1239792	1696993	935191	1875983	1929227	1966128	1084649	1330965	1527051	1325110	1478069	746824	1427668	520093	1992912	940315	795937	703118	1297044	1863599	1335576	1162061	388745	1102486	1563664	987009	943109	885755	1379060	1086495
1108.6462@6.711971	7921	703565	526409	16443	1	519487	36308	1	536199	305075	200256	1	340901	164783	6953	87962	103898	30105	41547	341394	484769	121563	143485	476524	1	21133	1	386895	367933	1	443183	510327	468728	295068	373328	55826	18777
793.276@6.705	1	1	9647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H49 N3 O6 S	371359	1.65E+07	2.11E+07	1142198	1.51E+07	1.30E+07	1530395	125090	1.10E+07	7586725	5351306	1.40E+07	9078859	3721353	262956	2922409	3056297	774466	1072631	7427720	1.01E+07	6537650	5129237	1.08E+07	564731	1160785	1637784	1.08E+07	1.03E+07	1307008	1.18E+07	1.92E+07	1.41E+07	8270467	5560389	1912060	948596
745.2767@6.706	1	1	11579	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H41 N7 O2	6905880	3.39E+07	2.14E+07	2955332	2.49E+07	2.41E+07	1.27E+07	4982267	3.68E+07	1.90E+07	2.21E+07	1.97E+07	2.38E+07	2.14E+07	5878163	1.37E+07	1.33E+07	1.42E+07	1.15E+07	2.75E+07	1.35E+07	1.85E+07	1.14E+07	1.81E+07	4945888	6965925	1.03E+07	1.64E+07	1.48E+07	2787496	1.84E+07	1.38E+07	1.70E+07	1.53E+07	1.28E+07	1.41E+07	6788883
883.9824@6.71352	1	1	13340	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4468	1	1	5530	1	1	1	1	1	1
C31 H47 N7 O2	357336	1020630	2106554	308560	2195945	868335	875945	630529	1031604	858799	1157046	773880	730029	758052	544533	714140	668032	940829	877167	1005509	512970	952130	526823	835019	453480	853693	774573	725929	884340	150736	774528	779738	557847	811073	514121	689186	469632
554.8481@6.7059627	1	1	18774	23226	16637	16214	21221	16903	13125	1	17586	1	1	17862	13703	1	15924	14120	12798	17623	15241	16186	21641	16116	16522	13330	12683	13023	14131	17347	1	13964	13108	13824	13128	14079	1
C31 H49 O S2	7206	45870	21707	1	33033	25962	13766	5793	41853	20642	24631	22509	26824	23197	1	14715	14232	17568	1	28634	14611	20707	10731	17613	6416	8543	10116	16979	15306	1	18718	17666	17877	16178	13200	13119	7772
C37 H46 Cl N4 O4 S	1	1	28468	1	1	3294	5406	3670	1	1	1	1	1	3302	1	1	1	2985	3266	1	1	1	4509	2619	1	1	1	1	5089	1	3222	1	1	2915	2807	4377	1
671.318@6.708	1	1	5091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
725.2892@6.615661	1	1	25457	1	1	2607	1	1	7889	1	1	5834	3958	1	1	1	1	1	1	1	1	1	1	4358	1	1	1	5732	2326	1	4813	5645	5843	2658	1	1	1
1116.7@6.720474	13279	31926	37600	1	155308	16375	19782	1	1	1	14283	1	23241	1	1	9030	1	1	1	1	1	1	4778	1	1	1	1	23015	1	1	17850	1	18667	10635	15646	9653	1
859.4785@6.711199	1	8053	36208	1	8285	14629	1	1	9221	17456	1	12838	8652	1	1	1	1	1	1	1	20768	1	1	11997	1	1	1	1	1	1	1	13085	5709	1	1	1	1
C40 H48 Cl N O3 S	1	16880	170775	1	13501	18737	1	1	11464	17580	8168	19021	12474	5609	1	5881	4711	1	1	6794	19897	7419	10134	15974	1	1	1	15423	18952	1	20251	27640	23093	15316	11228	1	1
C24 H51 N O14 S	24047	42650	187636	12034	21399	39206	25068	13348	48591	42681	38143	30564	32526	38057	16188	32130	28439	28680	24822	1	29438	23722	27553	29801	12394	11347	16647	19787	30961	11512	33091	22306	25290	31438	24710	28380	17281
822.9757@6.726171	5901	9364	128855	1	1	4821	1	1	74766	51534	56885	5174	1	26428	1	1	1	11478	1	1	40364	7545	1	1	1	1	1	1	4954	1	1	1	1	1	1	1	1
1126.6724@6.721178	1	15085	22447	7756	1	1	1	1	28725	1	1	17726	13469	1	1	1	1	8450	1	13879	1	1	12293	17669	1	1	1	14881	1	1	1	18827	1	1	17053	1	1
865.5133@6.723139	1	1	13081	1	1	1	1	1	1	1	1	4166	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4470	1	1	1	3085	1	1	1	1	1
1176.6359@6.7098045	1	10348	68461	1	1	1	1	1	7014	1	1	1	5422	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1160.6833@6.708128	1	4882	14761	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5474	1	1	1	1
1244.6294@6.711	1	1	11184	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
639.3479@6.711	1	1	33547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1224.6375@6.711	1	1	27070	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
836.3195@6.712	1	1	6921	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
856.9808@6.712	1	1	55164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Gymnodimine + 6.7119865	51925	1835203	121549	12554	97375	1100214	62859	29812	1746899	69110	988051	958457	65203	919852	160675	52132	61152	698222	68254	1020477	46198	92112	41112	77563	34411	64306	41462	685341	49301	23579	836474	63258	43232	719401	46390	53817	176514
899.5088@6.712	1	1	8472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
893.4804@6.712	1	1	10544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
878.9938@6.713	1	1	44995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
939.5066@6.697387	1	1	5978	1	1	1	1	7158	1	1	1	1	1	1	1	1	11376	1	1	1	1	1	1	1	1	9069	1	1	1	1	1	1	1	1	1	1	1
700.3441@6.6884465	1	7470	34678	1	1	3620	1	1	5127	10686	1	1	1	1	1	1	1	1	1	10991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1232.6616@6.714	1	1	5721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
847.4818@6.711363	1	1	126518	1	1	40414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
898.0054@6.714	1	1	8580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
864.0098@6.714	1	1	17341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C46 H49 Cl O	21521	13345	66995	21782	1	21393	1	1	21550	42966	30549	1	6787	16508	4434	9979	13851	1	4453	1	1	1	1	4967	1	1	1	4870	1	2804	2616	3367	2368	1	1	1	1
670.4314@6.715	1	1	14563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
954.5166@6.715	1	1	5239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
905.9861@6.715	1	1	4671	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
720.3317@6.710173	2799	1	19522	1	1	1	1	1	1	4083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
800.981@6.7109313	7731	123075	61339	1	39984	79523	19838	1	210054	78759	81134	50106	73205	82493	1	32698	35461	37820	25443	115640	48033	52423	30208	65513	4206	12168	18442	49957	41253	23180	52633	38581	47466	47449	41314	32620	1
834.0077@6.716877	1	1	8677	1	1	4009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7541	1	1	1	1	1	1	4097	1	1	1
872.0026@6.708735	1	1	46469	1	1	1	1	1	1	10742	1	1	1	1	1	1	1	1	1	18933	1	1	1	13302	1	1	1	1	1	1	2767	1	1	1	1	1	1
1344.8184@6.7148447	1	1	4153	1	1	1	1	1	12996	4864	1	1	1	1	1	1	1	1	1	4519	2084	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1239.668@6.715	1	1	4645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1172.6432@6.7106576	1	1	14089	1	1	4192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4297	1	1	1	1	1
631.8314@6.716	1	1	10725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1084.6464@6.7162704	1	1	481498	1	432627	1	1	1	1	291951	1	1	385300	193589	1	1	144762	1	1	6701	193802	228061	1	217321	1	1	1	647344	771453	1	733707	619937	1	1	747250	94261	1
881.4998@6.712976	1	1	8496	1	1	1	7110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10112	1	1	1
823.4794@6.717936	1	7113	144164	1	10113	1	1	1	12394	46732	9602	1	9473	1	7939	1	4781	1	13822	1	1	9411	1	1	7367	1	1	1	35408	1	1	1	1	1	31585	1	1
1196.6388@6.716	1	1	17696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
846.9771@6.715647	1	7919	154640	1	1	7783	1	1	7027	7948	25667	5870	4300	1	1	1	1	1	1	1	8273	1	1	8989	1	1	1	1	1	1	21873	1	35048	1	17540	1	1
890.9917@6.716	1	1	20325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1109.1533@6.712312	1	1	47429	1	1	33726	1	1	34188	1	1	29207	11777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25889	36923	1	1	23115	1	1
1094.6523@6.7301574	1	64937	23308	1	1	17654	1	1	20060	5137	1	1	22921	1	1	1	1	1	1	1	27822	1	1	1	1	1	1	1	1	1	1	15202	1	1	1	1	1
1072.648@6.73766	40287	66711	19576	1	34720	25958	1	70188	56720	27891	25815	1	19508	1	56923	1	1	6743	1	22730	19199	1	1	23048	1	1	7055	14962	14603	1	16138	37002	1	13539	29641	1	1
1128.6364@6.715271	1	23534	108322	1	1	16623	1	1	1	1	6858	1	1	8780	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15668	1	1	1	1	1
917.4829@6.717	1	1	24471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C36 H52 N8	1	1	23465	7880	27934	1	27646	15218	1	1	28518	16103	16801	15246	1	24404	26295	23674	22526	24440	9030	26772	11015	17378	14333	18742	23224	18679	17261	1	14744	16502	10034	14580	9024	1	13469
915.4928@6.717	1	1	6018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
810.9799@6.7803564	11911	1	57612	9483	1	1	1	9994	1	1	1	15912	1	1	1	1	1	1	4581	1	1	1	6758	1	1	1	1	1	1	6568	1	1	31676	1	1	1	1
1152.6371@6.721898	1	6167	48413	1	1	8568	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8310	1	1	1	1	1	1	7883	1	1	1	1	1	1
813.9876@6.738321	1	1	34974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5188	1	1	7817	1	1	1	1	1	1	1	1	28331	16018	1	1	1
1058.6392@6.7523494	14683	10780	4804	1	1	7966	1	1	14261	5240	1	1	1	1	1	1	13879	1	1	6158	21768	1	269365	32578	1	1	1	1	3662	1	5737	27026	1	6965	23835	1	1
1104.6385@6.776997	12738	31042	36690	8474	1	25365	1	9663	35012	13293	5753	1	1	7586	1	6597	11809	1	1	1	11931	1	7641	7116	1	11135	1	8282	22318	1	8805	1	1	20940	10857	1	2677
C33 H39 N4 O3	1	19851	22835	1	1	17386	9794	1	23509	27425	15396	14776	19256	14983	5401	15286	10309	7821	3889	24211	14963	1	17431	12190	1	8748	1	1	8620	5923	11647	1	20478	16965	15797	17823	1
1104.7081@6.743061	1	1	16570	1	52355	1	11026	1	1	1	1	1	1	1	3852	1	1	1	1	1	1	1	1	1	1	1	9653	1	1	1	1	1	1	1	1	1	1
936.4962@6.718	1	1	17091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
268.9863@6.7109904	2772	1	9981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H52 N3 O3 S2	39990	60865	55792	62518	28774	47105	86728	1	49528	45158	43963	36725	36019	38426	43314	33662	36323	26874	42916	56947	40611	49358	43745	25817	27108	49773	46957	47198	1	35482	46074	25673	41374	39039	31203	30367	38304
1118.6545@6.721209	1	15798	34308	1	1	1	1	1	1	1	1	11474	1	1	1	1	1	1	1	1	17689	1	1	1	1	1	1	1	1	1	1	27216	1	10373	1	1	1
653.2906@6.719228	1	1	16523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2863
1071.1466@6.781477	1	1	20501	1	1	1	1	1	1	1	1	3657	1	1	1	1	1	1	1	1	6255	1	1	1	1	1	1	1	1	1	1	1	1	1	4230	1	1
103.0998@6.718	1	1	1696442	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
866.9933@6.7204127	1	1	35349	1	1	1	1	1	1	7577	5501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
888.0051@6.718	1	1	5704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1402.8167@6.718	1	1	6067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
883.4816@6.713018	1	1	49247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9474	1	1	1	1	1	1	1	4664	1	1	1	1	1
1142.6505@6.7308717	1	9602	36140	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7786	1	1	24381	1	7728
926.4965@6.719	1	1	19111	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1199.1501@6.719	1	1	6647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
855.9999@6.719	1	1	3373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
982.9911@6.719	1	1	6194	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
811.461@6.735163	1	1	11338	1	59777	1	1	8792	1	1	1	26334	1	1	1	16974	1	1	1	1	1	1	6721	1	1	1	6812	1	1	8209	1	1	1	23742	1	25532	1
1117.1516@6.726603	1	1	44868	1	1	1	1	1	15011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8968	1	1	1	1	1	1	1	1
1200.6433@6.719	1	1	18356	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1049.148@6.723988	36112	21549	6849	1	34882	13421	1	1	25623	9433	1	1	13797	13573	1	1	6301	1	1	14954	7227	10497	1	8045	1	1	1	8471	5681	10267	8686	8335	7350	7692	4303	1	1
958.4937@6.719	1	1	14693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
995.5017@6.719	1	1	3248	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1164.6595@6.7237415	1	1	19267	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2124	1	1	1	1	1	5482	1	1	1	5508	1	1	1	1
1208.6783@6.719	1	1	13062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1165.1477@6.719	1	1	16312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
777.4815@6.719983	34056	1	14544	9876	32122	11921	27973	1	1	14338	22823	11920	31304	18024	1	37273	41894	23389	1	16354	6805	23694	15066	17226	37885	46923	47426	7973	7709	1	10417	1	1	11940	1	17230	1
869.4817@6.72	1	1	88530	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1186.6555@6.72	1	1	11036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
557.3427@6.711174	1	8462	29946	1	37326	1	1	8881	1	11680	1	1	1	6629	10073	6475	9603	7373	2297	1	1	1	1	19983	9504	17448	1	20306	1	1	16212	1	1	1	1	1	1
946.4973@6.72	1	1	18192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
846.5107@6.72	1	1	4461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1133.6501@6.715746	1	1	32857	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57877	1	1	1	1	1	1	1	1	1
878.4915@6.72	1	1	14420	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
974.5052@6.72	1	1	8561	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
951.4997@6.72	1	1	12892	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1202.1691@6.72	1	1	8580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
946.9896@6.72	1	1	13522	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
982.4947@6.72	1	1	10020	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
133.0113@6.7236185	20161	1	24409	24498	1	5564	1	8272	1	14433	7602	1	1	1	6212	5962	8147	1	1	1	6861	1	1	3730	1	1	1	1	1	1	1	1	1	1	3075	1	1
1141.1508@6.72	1	1	47073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
917.9889@6.72	1	1	14796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1150.163@6.721	1	1	8307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1155.6552@6.721	1	1	9499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
835.4775@6.717925	15402	10235	94892	1	3952	8734	1	1	39251	40001	24312	1	1	25891	1	20156	1	1	1	38820	1	20741	17732	1	1	1	1	1	9279	1	1	1	1	3462	1	1	1
1092.7054@6.7188115	1	1	97763	1	1	1	77790	1	123327	1	1	94154	90505	69922	1	48463	1	1	1	1	1	61758	35660	1	1	38073	46844	1	1	1	1	1	61164	1	1	1	1
Indole-3-ethanol	1	43033	27467	1	42113	31898	20562	1	35834	20769	23565	1	28945	25787	14423	1	18487	1	1	1	1	27437	17953	19646	1	1	20550	19744	19324	1	22300	25718	1	1	17329	1	14171
834.9834@6.716259	1	57634	117533	1	1	10278	1	1	34754	1	36482	26998	27044	1	1	1	1	1	1	48773	1	22734	1	1	1	1	1	15785	1	1	1	1	3069	3053	1	1	1
971.0016@6.721	1	1	11914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
696.3319@6.7216897	3138	1	16138	4052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1107.6675@6.7435803	1	8497	10312	1	1	1	1	7253	1	5563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7806	1	8187	1	1	1	17634	1	1
1131.1487@6.7121453	1	1	49021	1	1	1	1	1	1	1	1	11114	8912	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Erythromycin estolate	1	48916	47315	1	37603	45848	46022	1	40180	51564	154513	42962	51566	61529	39493	29116	47865	33267	46935	66256	30407	18447	37816	30517	24978	1	39936	33126	26690	1	37393	25260	29244	38530	25837	38578	1
963.4992@6.702772	1	1	8050	1	14843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3889	1	1	1	1	1	1	1	1	1	1	1	1
970.5031@6.721	1	1	8098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1083.1466@6.726859	1	1	50853	1	1	5970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
905.5024@6.695068	1	1	21920	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22856	1	3757	1	1	1	1	1	1	1	1	1	1	1	1	1
788.9807@6.717811	7852	86681	58491	8934	44205	61152	54246	1	81838	67674	173101	56008	74386	73022	20661	45928	49142	34956	24512	80570	36013	65848	40123	43645	13213	14458	47721	42541	32092	1	44174	32360	37541	45614	30815	38646	23152
902.4971@6.722	1	1	22913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1105.1655@6.722	1	1	13561	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
813.4832@6.7213345	1	67501	77918	1	80733	1	55079	1	64388	64190	35521	1	48253	25563	1	1	1	13973	15538	72525	1	40625	27890	63570	3216	7870	17668	44849	1	7921	49641	44019	59377	1	54086	1	10682
1177.1482@6.722	1	1	18007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H48 Cl N O8	22149	1	155647	19688	1	12274	1	20112	15105	29356	1	16495	1	21605	22381	19611	21020	1	20873	19179	17197	1	18620	16087	16830	17224	13659	13304	1	10254	17441	19902	18002	17302	10806	16346	20515
1080.6337@6.722	1	1	34361	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H60 N2 O4 S4	24040	1	52745	23276	1	11589	1	1	1	21930	1	7310	5995	11910	8679	8775	11122	9500	1	15749	5862	1	10110	6645	14336	6893	1	1	1	8011	5398	1	3479	6782	1	1	8736
1140.1711@6.722	1	1	10423	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.3492@6.723	1	1	17800	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
631.3134@6.7891026	1	1	74798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16961	1	1	1	1	1	1	1	1
895.4986@6.7065053	1	1	10480	1	1	2752	1	1	1	1	1	1	5977	1	1	1	1	1	1	21240	1	1	1	1	1	1	1	3202	1	1	7848	5759	1	2113	6826	1	1
744.3314@6.723	1	1	13229	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H43 N3 S2	55420	26065	31941	42830	29842	35605	41587	35338	22198	53135	64313	45190	34330	1	65320	1	1	50341	1	42689	38202	56173	42343	1	40638	56822	46089	32983	15170	18583	29728	34177	1	40335	1	34560	58202
1187.158@6.724	1	1	14979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/22:0) + 6.722954	468333	1419755	2179785	352475	3406573	1196103	1572310	621618	1207900	796812	1612606	1122249	1154224	880373	883348	1242535	1233130	1166535	1156813	1385022	478935	1651637	576857	1019736	717689	827987	1180451	937341	936709	274227	946439	1128935	683119	817980	503094	646993	606069
1189.6509@6.724	1	1	20036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1153.1493@6.724	1	1	27381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.1991@6.724	1	1	34536	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
801.4827@6.7187943	9421	92107	117628	18998	34915	63380	18619	7950	171616	58753	64425	84248	56037	61007	28876	30286	30434	31935	22032	93727	37657	43136	24244	48956	26107	22092	48434	37913	33824	1	40926	51228	37363	36108	32512	26963	1
941.0073@6.725	1	1	13746	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.2891@6.6340356	1	1	12053	1	1	1	1	1	6400	1	1	3359	3644	1	1	1	1	1	1	1	5169	1	1	1	1	1	1	1	4678	1	3045	1	4521	1	4845	1	1
676.3436@6.7267213	1	1	24043	1	1	1	1	1	1	12969	1	1	1	1	1	3060	1	1	1	10478	6662	1	1	7484	1	1	1	1	1	1	1	1	1	1	1	1	1
894.9928@6.725	1	1	17420	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1095.148@6.7403483	1	7922	56675	1	1	1	1	1	4905	1	1	1	4352	1	1	8691	1	7277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
634.3056@6.7991104	1	1	39292	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1356.8273@6.7293777	1	14506	18319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6236	1	1	1	1	11583	1	1	1	1	1	1	1	1
1180.6661@6.726	1	1	24007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1039.1656@6.7213483	1	1	36108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60057	1	30355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
637.3313@6.726	1	1	5595	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H59 N6 O3 S3	441350	8125	45744	192338	486334	17243	502816	391558	11750	12425	45869	20852	75932	177107	541438	250581	261180	415561	335477	24845	1	154829	134039	10033	534704	535697	594456	15624	1	1	1	1	9646	54692	28392	283077	313281
830.0165@6.7268186	1	1	17705	1	1	7754	1	1	7105	6185	10981	1	1	1	1	1	1	1	1	1	1	7164	1	1	1	1	4514	1	1	1	6384	1	1	1	3701	1	1
861.4953@6.6541076	1	8206	41264	1	1	1	1	1	7602	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1036.6469@6.742055	49108	740935	526003	17054	808794	1	187804	1	2065969	1	2254714	1820432	504487	1698019	1	209524	216666	1560090	184661	1	457288	395709	181388	369275	36738	70037	215320	1912046	298963	569779	1	379260	525992	1	259310	241742	1
1056.7094@6.7286563	1	23561	15666	1	59693	17997	1	1	29115	1	1	1	1	1	6335	1	1	21350	1	26790	1	1	1	6383	1	1	1	1	1	1	1	1	1	1	1	1	1
896.5225@6.6986985	1	1	16978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3506	1	1	1	14214	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1128.168@6.7263756	1	1	14032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4988	1	1	1	1	1	1	1	1	1	1	1	1	1
940.5112@6.727	1	1	10881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
860.9945@6.684272	1	11374	51880	1	1	1	1	1	11650	1	1	1	1	1	1	1	7318	1	1	1	11062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1112.6766@6.7417307	12457	140877	181916	10241	104489	121775	23124	23078	104689	75899	66100	122047	86711	39750	51794	37188	36809	29749	1	75333	80401	11043	47235	100934	40918	54812	21816	110007	92356	2773	1	140401	115257	75485	80322	25773	13413
1026.665@6.730253	2307	1	45822	1	40552	1	26552	1	1	24139	1	8196	1	32798	7130	20370	6551	1	1	1	1	10332	1	1	1	6991	10295	43840	1	1	25643	33801	1	23992	28005	1	1
1032.7107@6.7273417	1	8368	9161	1	46423	1	109873	1	1	1	11498	8661	1	1	1	1	5817	8361	6620	1	1	13820	1	1	1	4999	1	1	3652	1	1	8638	1	4385	1	1	1
C28 H47 O7	8170136	1.71E+07	1.87E+07	5979192	2.52E+07	1.43E+07	1.48E+07	9824551	1.37E+07	1.06E+07	1.57E+07	1.82E+07	1.64E+07	1.27E+07	1.24E+07	1.24E+07	1.23E+07	1.52E+07	1.22E+07	1.19E+07	1.04E+07	1.71E+07	1.13E+07	1.08E+07	9053224	1.29E+07	1.65E+07	1.15E+07	1.07E+07	2951300	1.31E+07	1.46E+07	1.20E+07	1.23E+07	8444000	1.18E+07	1.09E+07
D-Alanine + 6.7376966	159585	199463	133331	203593	168488	226170	122415	1	249339	388246	426597	135348	123341	160103	96130	159524	202541	147492	105550	940484	105029	285137	99576	169531	102433	117295	80448	149450	53090	91106	103850	92681	110724	106891	114212	81559	100064
1145.6696@6.7330256	1	1	31092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4564	1
C28 H45 O6	12990	29804	29649	10406	45063	23164	24231	15601	22510	15399	26164	29723	28097	22126	20498	19581	18004	23197	18953	20123	17902	30509	21331	18453	15190	19489	29644	17782	17561	1	20538	26877	19550	19686	12723	18091	19154
852.4935@6.76875	1	1	20034	1	1	1	1	1	1	1	1	1	1	1	7260	1	1	1	1	1	1	1	1	1	7509	7187	1	1	1	1	1	1	1	1	1	1	1
916.5116@6.729	1	1	8246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
884.9982@6.729	1	1	24698	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
598.4318@6.693839	1	10407	31584	1	20745	1	1	1	1	1	12816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2404	1	1	1	1	1	1	1	1	1
C27 H44 Cl N8 O	43979	32152	121060	1	78043	17883	1	1	1	33778	1	1	12043	1	37726	266689	56827	27380	20366	53444	1	1	354104	1	28147	1	1	1	1	11927	21659	82510	87036	1	74841	1	39629
1074.7529@6.734126	1	16658	30590	1	1	10473	1	1	1	1	1	1	1	1	1	7465	5324	1	1	1	1	12022	1	1	1	1	1	8245	1	1	5160	8310	1	1	1	1	4418
1150.6895@6.758904	1	1	9991	1	1	1	1	1	1	1	1	1	1	1	6316	1	1	1	1	1	1	1	1	1	1	12171	1	1	1	1	1	1	1	1	1	1	1
644.3385@6.8315	13976	1	3987	11108	1	1	1	1	1	13239	11352	1	1	9805	1	8320	1	7332	1	44279	9717	14067	8682	17021	6575	7702	1	9358	1	45138	7878	7555	11367	1	1	1	8849
646.4316@6.73	1	1	19018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
814.9966@6.76363	1	8115	72114	1	1	8094	1	1	1	1	1	1	1	1	1	1	4497	1	1	1	14417	1	1	1	1	1	1	1	11001	1	10975	12158	1	6951	1	1	1
C34 H44 Cl N O5	21604	55397	28197	31715	15255	63652	16301	1	41895	84234	38251	29060	29070	29205	5208	30409	32343	1	20975	88574	98745	33035	38803	101461	12549	17111	16234	60051	62010	19356	62865	56726	68659	48302	84350	20422	1
C30 H59 N5 O S3	67281	269976	141989	82334	123442	278473	85102	21421	217961	278579	194337	173056	167919	149337	31708	133131	141253	53002	98003	247786	379783	119529	166564	322751	49867	82227	82179	197863	343615	58176	205787	254935	286834	217534	314019	115309	72692
778.996@6.729058	15383	13650	30355	11142	1	1	1	1	1	19982	1	24070	20150	1	47255	26190	1	1	27812	18051	9567	33681	22820	11073	22476	1	30219	16020	8553	1	18351	1	12045	18723	7075	1	26272
828.5058@6.807597	1	1	39283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13462	1	1	1	1	6403	1	1	1	1	9380	1	1	1	1	1	1	1
802.9964@6.72857	23113	77408	88754	10923	44669	76760	51571	4045	1	66926	97374	70016	69726	79904	1	55300	61678	37799	31215	84896	47797	73877	37382	56293	12808	28217	39901	47727	40821	1	48899	1	45317	48983	31600	49773	18315
C31 H64 N2 O4 S4	25091	4004	57619	43183	1	12807	6908	17865	14346	39223	17128	1	1	24239	15505	17430	22007	13335	22841	27281	17567	13910	18362	17622	31667	1	7782	17633	1	33963	17224	8334	14722	19981	16137	9860	18440
1051.1628@6.7305937	1	27623	19040	1	1	30413	1	1	30945	21590	28798	25340	25797	25334	1	1	1	21788	18148	80804	11419	16521	15138	10515	1	1	14499	23309	1	1	24631	15986	1	12284	1	1	4423
930.5291@6.7198124	1	1	10809	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1170.703@6.8274302	5891	1	11899	6899	23659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11676	1	9228	1	1	1	1	1	1	1	1	1	1
724.3626@6.736779	1	1	20902	3150	1	1	1	1	1	1	1	1	1	1	1	1	4471	1	1	1	1	1	4339	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.8322@6.729526	15243	1	23117	14127	1	6965	1	20435	1	119300	1	1	1	1	15195	70614	70727	10961	52749	17073	5406	13156	67623	5357	13551	39768	52413	7041	3855	5555	6307	1	4392	9449	1	8439	12824
852.0101@6.732	1	1	32071	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
827.0036@6.7323446	6884	1	113577	8405	1	61663	17155	7422	61126	58309	44134	1	40231	32090	9509	25733	30150	12870	15674	32191	79832	38527	27506	87476	13011	16214	16069	62940	59656	6157	59406	1	68415	40022	60851	17221	10734
1041.6815@6.759513	1	1	185912	1	109068	1	1	1	1	1	1	1	1	94000	55112	1	1	1	1	1	100755	296719	69851	1	1	1	1	1	1	38119	1	1	167224	1	1	111773	1
C23 H49 N8 O9 S	66255	26399	239606	61047	1	35147	18329	1	34411	58734	37651	1	14872	49985	63595	50907	58506	44936	50208	34882	39234	31679	59499	37063	82555	44877	37509	40167	39846	42991	39637	32478	1	43440	39264	44541	1
1123.1776@6.7328677	1	1	34933	1	1	1	1	1	1	1	1	6468	1	1	1	2394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1204.6812@6.734	1	1	14976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
681.3237@6.7346516	6007	1	26797	5884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4379	1	1	1	1	1	1	8708	1	1	3823	1	1	1	1
1082.7208@6.737261	6874	19246	29741	1	1	22445	1	81448	1	17930	1	1	1	1	1	1	1	28504	19830	27666	1	36641	1	15061	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H41 N7 O2 + 6.739948	3049072	1.99E+07	1.70E+07	1	2.15E+07	2.17E+07	1.01E+07	1	1.93E+07	1.85E+07	1.65E+07	1.20E+07	1.66E+07	1.26E+07	1	1.15E+07	6654677	2561113	9387439	2.39E+07	1.99E+07	1.42E+07	7949846	2.86E+07	1809141	8426011	3845611	1.90E+07	1.79E+07	2311604	2.08E+07	1.63E+07	1.65E+07	1.65E+07	1.75E+07	1.06E+07	16725
1146.6792@6.7254405	1	1	30858	1	10736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14766	1	1	1	1	1	1	1	1	1	1	1	1	1
1122.6833@6.7380176	1	1	59609	1	17458	1	1	1	1	39124	27045	1	30116	22260	1	1	1	1	1	1	41636	1	1	1	1	1	1	1	1	1	1	1	1	33181	1	1	19784
LysoPE(0:0/22:1(13Z))	46884	125284	152923	74442	227055	127191	98469	133067	121994	193317	128285	102431	93135	86128	70461	80723	187789	94231	205873	349012	91545	163794	61564	143192	87504	95443	122491	274522	263868	29319	275868	285605	77965	190319	192053	224066	105861
793.0118@6.7376933	51719	42872	86130	35656	40234	57060	72859	86516	68484	72661	1	63857	61865	77632	83752	81786	85923	82645	1	70553	35387	85494	73379	32379	70455	78512	71141	51603	28091	16494	51247	42684	40763	50775	33467	57563	72495
1147.1825@6.738	1	1	14904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
793.5134@6.7371907	36979	29302	56958	24683	26535	34069	51596	59202	37985	44198	1	47401	41715	47585	61720	52618	60206	58147	46078	43435	22215	61131	47749	19188	50293	54537	49798	33776	18150	12316	33065	29221	29810	35860	22431	42709	50697
1136.6937@6.7200484	9109	7132	122143	4815	1	1	1	26528	8629	1	24605	1	1	26184	1	1	27569	1	1	1	32745	1	1	1	1	1	1	46653	1	1	1	1	1	1	1	1	1
1098.6692@6.7408805	1	3746	70802	1	31721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50195	13704	1	1	50280	8367	1	1	1	1	1	1	1	1	1	1	1	1
792.0027@6.752398	18640	1	30896	10653	1	1	12846	14040	1	1	1	1	1	1	19656	1	27977	5698	1	29386	1	1	1	22080	1	1	1	1	1	4150	22672	1	1	35037	1	15984	1
1074.6633@6.739281	1	1	56538	1	1	64421	1	1	1	1	1	1	44246	1	1	1	5220	1	1	60261	59537	1	1	32349	9039	1	1	47972	52748	1	49750	1	1	39311	1	1	1
626.463@6.7095947	1	1	57112	1	8519	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
603.3987@6.737478	1	1	35438	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64943	1	32074	1	75638	1	1	1	58915	1	1	55807	1	1	1	1	1	1
alpha-D-galactosyl undecaprenyl diphosphate	108021	695995	568996	100441	519081	640581	198500	51973	624990	537326	392608	490582	452712	322537	62082	280211	279551	133338	1	672676	311391	364268	311352	1	88361	131923	179876	1	1	57506	1	659022	648802	453659	1	249222	125280
1075.1666@6.734685	1	1	49140	1	1	50071	1	1	49583	36855	1	1	44226	28316	1	1	1	1	1	5422	78423	1	11636	65815	1	1	1	25480	48317	1	20217	21634	1	15645	40833	1	1
1089.1797@6.738956	1	1	55531	1	1	1	1	1	1	1	1	1	1	1	1	15850	14016	5120	8758	1	39369	21306	13995	48254	1	10662	1	36715	44173	1	37623	1	43373	22690	44971	11526	1
840.0126@6.7495103	17809	5020	37014	1	1	1	1	1	1	1	1	1	1	11608	13483	11343	1	1	11678	12067	1	8852	12350	1	1	1	30580	1	1	2188	8990	7591	1	1	1	9628	11260
1088.1742@6.748498	1	1	17117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7342	15100	6852	1	16569	1	1	1	10549	13109	1	11575	1	1	8628	8778	1	1
817.5137@6.7405787	17994	83439	103117	19013	1	69485	1	12634	82464	81970	1	50785	54426	1	18745	44396	45268	1	31362	103530	62462	52671	45638	70898	20478	32873	1	75912	65440	11524	62152	1	68570	61073	76606	35996	23059
1018.6954@6.735626	325773	1022978	344728	189185	869340	727197	499490	548476	909191	486784	918325	1042277	914117	680938	599719	666166	606195	800071	541923	557823	129087	555045	530624	348937	396731	540925	807733	486051	378430	44199	595111	640517	226341	1	366160	624412	168033
841.0198@6.7438426	8648	21876	83821	9431	22615	24069	1	31604	1	1	1	9800	1	22064	1	25044	23307	24348	19974	1	1	15689	20731	1	1	23724	1	23534	1	5409	23147	10988	1	1	1	19633	21258
818.0169@6.738546	1	1	67222	1	1	1	1	1	1	1	1	1	1	1	9890	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1113.1857@6.737803	1	1	33838	1	8650	1	1	1	7272	5483	1	1	1	1	1	1	2668	1	1	1	1	1	1	8291	1	1	1	1	1	1	12042	1	7604	1	7996	1	1
1058.7225@6.745097	1	36066	39733	1	1	25763	1	1	1	1	1	8133	1	1	1	4453	1	1	24562	1	1	1	1	5739	1	5218	5806	1	14905	1	1	8045	1	1	1	1	1
816.5055@6.7398295	6466	1	33364	5282	9511	24769	1	1	12535	27644	1	1	15188	1	1	1	15951	1	11774	1	29014	1	16350	35037	4563	1	1	25154	26452	1	23797	23219	24507	23032	22149	1	1
C37 H70 N O4 S2	1	7974	12663	7117	1	6725	11059	7584	11812	9931	1	7674	7046	9097	1	7960	6330	6687	5492	11323	1	8753	1	4431	6946	1	6571	4646	4982	3294	5550	6136	5100	1	1	1	1
1325.8492@6.7529597	1	1	3536	1	1	1	1	1	1	1	1	1	3534	1	1	1	1	1	1	1	30493	1	1	1	1	1	30907	1	1	1	1	1	1	1	1	1	1
1137.1982@6.745	1	1	20226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1112.1748@6.7427835	1	1	14646	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1055.195@6.742428	14813	32670	35668	7040	27529	28225	58194	43401	34147	22331	50546	44056	42562	39513	34187	41891	34629	50411	32815	23285	1	48856	26857	12222	23207	29830	42222	22076	13453	1	22335	23036	22150	24072	15235	32874	29031
1350.8615@6.743828	1	24508	16441	1	12612	15684	1	1	14900	1	1	13987	1	1	1	1	1	1	1	15617	1	1	1	1	1	1	1	1	1	1	15277	16426	14341	1	1	1	1
1564.0385@6.741403	1	1	9809	1	18076	1	17753	1	1	1	13327	20336	14350	1	1	9185	1	14898	1	1	1	14492	1	1	1	1	14471	1	1	1	1	1	1	5259	1	10359	1
1078.6917@6.7408233	18272	142387	134654	11707	4495	110671	64797	17597	1	87428	1	102973	99790	80442	19648	77499	74256	59221	58183	126744	1	95387	55561	103032	21305	15403	52220	106223	91780	1	98666	104284	101366	78390	104078	60020	19375
1397.3671@6.747	1	1	5760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1079.1945@6.7449346	8239	75434	71210	5402	39050	64948	31512	7001	62876	43326	71049	58557	51879	38834	8271	41966	39208	19319	21289	69077	1	46057	31324	1	10490	15533	24365	59416	1	1	56577	57957	63573	42925	61167	32107	1
1374.3676@6.749	1	1	12182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1136.1887@6.749	1	1	9991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1350.3567@6.7431374	1	27885	29261	1	13617	20025	1	1	16135	7826	1	16293	11007	1	1	1	1	1	1	16938	1	1	1	16489	1	1	1	11094	1	1	17088	1	17375	1	18202	1	1
1103.2036@6.751945	1	1	36523	1	1	1	1	7700	1	1	1	8888	1	1	1	11380	8110	12488	1	1	1	1	1	1	1	1	9790	1	1	1	5553	1	1	1	1	1	1
1349.8542@6.7444973	1	1	7647	1	1	5375	1	1	4522	1	1	1	1	1	1	1	1	1	1	1	15010	1	1	17061	1	1	1	1	1	1	3633	5973	4629	1	1	1	1
807.5292@6.7505903	85506	73797	128840	55013	43277	80339	135196	148544	104187	104455	140246	99705	92803	108344	112905	128707	121680	117141	89484	108191	1	114460	99950	1	120666	97835	92979	90593	1	39841	1	1	1	1	1	110792	99542
1102.7004@6.740651	1	30455	59452	1	1	1	21724	49692	1	13690	23531	32204	20131	19755	33691	22571	22965	19677	1	33632	16783	1	1	22696	31601	1	1	23383	21393	1	24098	1	18279	19503	17236	1	1
1373.8617@6.75	1	1	15155	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
807.0266@6.7518077	127207	127868	202748	86508	52946	123395	210758	224173	172400	168427	214961	165181	144397	170598	165064	199678	197304	185449	152427	172907	1	178878	165487	1	179040	147636	139632	139503	1	60509	122688	1	132402	1	1	167127	157407
1315.871@6.750585	1	1	19835	1	1	1	8603	1	82645	1	8839	9523	8259	1	1	5707	1	1	1	12759	2811	10060	1	1	1	1	8682	1	1	1	1	73445	10674	1	1	1	1
1340.8748@6.7489786	1	1	25490	1	25401	1	18109	1	1	1	1	1	23155	1	1	1	9903	1	1	27649	1	1	1	1	1	1	1	18070	1	1	1	1	1	1	1	1	1
1610.0223@6.7472215	1	40702	26155	1	1	26830	1	1	33941	14326	1	27569	21547	1	1	1	1	1	1	30514	1	1	1	22877	1	1	1	19268	27144	1	28907	35867	23541	15425	1	1	1
1054.1866@6.7490864	8753	15752	20080	1	1	16485	1	13646	17156	12276	19658	17931	16924	17487	14485	15405	14149	19625	14646	14863	17864	22993	13974	10587	8368	17159	17885	12090	9317	1	1	14548	12375	14166	9167	14238	13633
672.37@6.766469	66194	10167	17914	83486	1	16552	1	21726	1	56617	30861	9288	1	1	15412	13083	14283	7077	7349	55665	1	11951	6503	7116	6274	12449	1	1	1	19741	1	1	1	1	4710	1	1
C30 H51 O7 + 6.751893	3.67E+07	6.32E+07	7.81E+07	2.93E+07	8.75E+07	5.02E+07	7.70E+07	6.03E+07	5.90E+07	4.04E+07	6.22E+07	6.92E+07	5.88E+07	5.16E+07	5.26E+07	5.20E+07	5.04E+07	5.78E+07	4.33E+07	4.73E+07	3.73E+07	5.85E+07	4.81E+07	3.54E+07	3.97E+07	4.30E+07	5.53E+07	4.23E+07	4.46E+07	2.00E+07	4.45E+07	5.37E+07	5.12E+07	4.04E+07	4.65E+07	5.19E+07	3.92E+07
C32 H57 N2 O7	942450	866305	682457	686126	640027	830120	1124677	1134186	941888	968640	1093927	924149	635561	927247	929136	974417	942924	638121	814210	984221	637224	946933	893207	639768	951026	843713	802364	791011	621030	479574	776378	689274	779791	747650	785656	880711	849681
1077.6865@6.751426	5355	43972	35001	2592	11724	32706	1	1	1	1	1	1	24985	18631	4751	1	14746	1	11061	36534	98907	24578	14286	35116	4770	8860	1	31977	29814	1	32042	35791	30308	50206	1	1	7307
1363.8763@6.755	1	1	21676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1339.3646@6.751571	1	1	46658	1	1	43296	1	1	53158	20863	1	11887	11614	1	1	4390	1	13095	1	1	1	41673	1	1	1	1	11563	33993	1	1	36849	1	11260	23785	38594	5810	1
1069.2097@6.7527413	1	1	94832	1	56841	1	158896	113524	88996	1	125888	1	1	1	75427	100715	1	1	61313	1	1	1	1	1	60789	57914	1	1	1	1	1	50700	1	1	1	1	1
1360.8519@6.7451816	1	1	23165	1	1	8125	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11290	1	1	1	1	1	1	1	1
1078.1871@6.7516475	3638	34208	28914	1	1	28729	1	1	30511	20964	25665	21886	18432	15205	1	11980	13789	1	1	30428	65768	20275	1	78886	3993	1	1	25959	78147	4126	27860	28978	29059	20286	23710	10368	1
C31 H53 O S2	28980	72393	78147	19373	115516	52763	82507	47428	58507	35514	61761	68821	63553	45904	43767	51232	41805	50877	40042	41819	28501	57883	41470	30944	35728	39655	57196	31569	34252	11117	44915	45674	41028	36729	39626	51530	35864
C26 H51 N5 O2 S3	300018	146711	118077	266489	104779	152011	237755	275847	178009	234931	234690	1	188023	198481	235967	220807	196409	188968	173242	233084	139469	228464	233553	131771	249637	221888	175130	156324	128398	196145	151811	126799	154304	167411	174886	194846	224460
1102.195@6.753214	1	1	24659	1	1	17305	1	1	16248	7844	1	1	1	13406	20217	7298	6099	7837	1	1	11263	17166	12274	1	1	17300	1	15814	1	1	1	1	15156	17224	12122	17673	1
1362.3644@6.7494783	1	1	38413	1	1	1	1	1	3103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
515.2982@6.7537384	11026	1	27113	1	1	1	1	1	1	1	1	1	1	1	6587	1	1	1	19022	1	18583	1	1	1	1	1	1	15404	1	1	12394	1	1	1	1	9263	1
1044.711@6.7576165	647113	5517588	5194130	443832	1699594	4084998	940010	500489	755119	755709	740618	5521025	4864212	1329524	1058792	487582	3279560	4061542	3063883	1299085	2279013	4963894	998038	2209248	241400	1	4153133	3175021	2764479	91945	3489812	1648088	3490314	3085315	1274753	4209788	1
C21 H46 Cl N11 O7	59712	7916	317685	57089	440768	43974	164671	1	10374	45214	182965	125456	221820	165402	50622	197060	143179	147868	92518	131689	17302	353313	229728	21627	32614	95590	149795	15131	83025	87627	109639	28967	18023	231315	163219	210088	174528
1338.8595@6.754689	1	1	25088	1	23779	1	1	1	1	1	1	1	1	4643	1	1	1	1	1	1	5970	1	1	28880	1	1	1	6876	1	1	1	1	1	1	6414	1	1
1590.0529@6.757922	19128	104090	87103	7435	1	67140	1	68276	38852	7535	1	122155	21820	23515	41941	1	1	1	45028	63885	18772	1	1	1	24871	1	1	43367	25488	1	51041	58552	1	1	1	1	1
869.5302@6.762807	17832	5922	11266	1	1	8293	9077	1	1	1	1	1	13835	1	1	1	1	1	1	11632	6065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C27 H39 N7 O2	207374	440173	472222	139924	458217	349759	258832	225438	494382	280229	277676	272476	352560	318280	276768	252790	269176	307298	372670	345288	251962	431071	243956	502299	219415	321719	236755	314230	237487	69372	298565	381031	258849	406114	189274	221993	318357
1315.364@6.7503686	1	1	7388	1	1	16899	9603	1	1	9893	9659	11276	7458	5839	1	5400	1	8237	16357	15259	1	10206	1	1	1	15323	7690	1	1	1	13606	5811	4410	1	1	6448	4124
806.5214@6.7602997	71411	55744	84793	43884	27077	62914	55608	84085	73918	75734	74853	61018	64175	74548	69961	71965	77954	71252	1	88380	104420	80809	76554	103416	65280	78821	62154	72169	99628	24609	146864	118949	149580	145440	151145	73395	79711
1328.373@6.7618995	19287	92708	107442	5219	91255	72543	22265	11023	23688	1	22054	104546	107170	14251	10068	13190	12799	18758	14612	1	1	1	1	30816	1	54167	94306	13171	1	1	1	1	1	15156	1	96645	41756
DL-Serine	49681	53897	36076	57174	43030	50814	66464	30178	57171	76810	117875	61892	57996	54217	32773	46128	46544	44531	33447	326636	1	108764	1	54332	1	43287	1	30312	14027	1	33973	30007	39163	38859	1	31666	26426
806.0191@6.7614183	91873	76151	114629	55204	36171	81732	80288	1	103438	102895	100828	79162	86463	98177	93059	90830	105179	89693	92091	114108	159974	107088	94106	167166	80002	100328	78012	97050	145336	29735	90078	181547	90758	211819	220819	94758	100865
1328.8748@6.758981	18112	1	84957	1	1	59124	129053	1	23453	29280	1	1	51889	14111	1	14774	11902	1	45765	55882	1	1	33916	1	1	44432	82771	1	1	1	15821	1	1	40895	1	79246	35094
1338.3572@6.7551336	1	1	11407	1	23713	10229	32413	1	10566	1	1	1	1	1	1	1	1	1	1	56427	1	1	1	37766	1	1	1	1	1	1	8058	1	1	1	1	1	1
1067.195@6.7645507	29011	1	144127	9278	78374	48015	42833	40072	60614	34429	1	55051	54164	47614	34007	45146	41649	1	46386	53797	90766	67230	35186	1	20226	102521	47599	47425	105563	1	158310	1	1	145627	1	50722	37932
C29 H41 N7 O + 6.7687273	14294	19194	27925	6639	32147	18868	16253	13861	18060	1	14973	17303	16922	12415	13200	1	12647	14618	16193	16890	13759	21696	11010	20137	1	15878	18129	15281	18509	4785	17350	18951	14544	15544	12138	16613	13013
C38 H61 O11	184482	1	25549	272987	365944	24647	199502	92924	10066	14111	115542	28396	124108	104904	370150	165973	128735	148183	157572	64893	1	132134	199408	1	376528	323049	252565	15371	72760	177796	23105	13793	8002	66591	13214	139125	136668
C29 H43 N7 O2 + 6.7690563	1.97E+07	2.79E+07	3.36E+07	1.07E+07	4.05E+07	2.43E+07	2.20E+07	2.03E+07	2.56E+07	1.65E+07	2.32E+07	2.31E+07	2.31E+07	2.03E+07	1.96E+07	1.76E+07	1.78E+07	2.33E+07	2.29E+07	2.40E+07	2.01E+07	2.97E+07	1.72E+07	2.71E+07	1.41E+07	2.35E+07	2.50E+07	2.04E+07	2.49E+07	6028099	2.47E+07	2.51E+07	2.02E+07	2.43E+07	1.96E+07	2.40E+07	1.93E+07
805.5136@6.7704606	53474	37017	49341	28790	1	40666	32208	45591	48032	48304	47655	1	37796	43313	40067	39961	44341	41741	1	1	51086	47657	1	61913	39252	61707	37500	56794	46041	1	46764	42481	47104	55770	51336	44722	51801
805.0113@6.7644286	60663	6973	62176	33697	1	57119	39607	56735	62487	1	52608	25641	48928	58437	48995	51877	56149	53384	70638	1	69059	61927	64868	85464	43358	72892	45010	75250	58163	16670	71510	62702	66958	77705	68544	54997	67062
Fosinopril	1	73653	88677	1	1	66621	1	1	65159	97889	1	1	1	1	1	1	30621	1	1	92201	71239	1	1	87831	1	1	1	80758	51963	1	76053	102810	52725	36228	1	1	1
C31 H49 N9 O2	456727	281410	263986	313597	220388	313232	250119	340534	322380	351536	300255	246734	278601	309621	307231	269586	303638	290472	361503	426031	263513	364010	324244	457753	279543	401248	291239	337469	364125	176599	245532	314238	311186	370885	304741	320508	354764
C17 H31 N22 O	120834	49307	64883	105109	1	59698	33921	74351	59975	84442	70324	45470	50051	66182	77476	56779	61770	60685	68530	103901	79906	69858	79541	101710	68280	84642	52949	62590	63016	60027	63152	58999	64666	81404	58384	57540	80769
1120.6667@6.7619934	1	1	10082	3112	1	16974	1	21616	1	1	1	30174	11666	1	16252	35492	1	1	25959	16834	1	52839	24019	16480	1	1	21079	18588	11327	1	1	1	1	19822	28060	49512	1
LysoPE(0:0/18:0) + 6.773583	34834	94220	87086	22873	118759	76700	46731	31237	64681	56077	75187	60945	58271	52029	64244	48885	57709	66631	71524	67389	51474	84156	38082	67368	41805	53080	80973	46804	55711	13561	62082	68975	43044	53647	25346	36443	34717
1074.6833@6.7730823	1	1	20947	1	31228	1	55066	1	1	1	22008	1	1	15598	1	24778	1	76578	27697	9833	1	26323	52414	1	1	32299	44803	1	7053	1	7163	1	1	4852	1	36396	31985
1586.0208@6.77367	1	1	51879	1	1	1	1	1	1	11884	58743	1	39236	21123	1	1	1	1	7591	1	1	1	1	40906	1	12524	1	1	1	1	1	8171	1	19660	1	1	1
1032.71@6.7740765	1	48620	112089	2479	133109	31098	63521	1	1	14682	103482	45823	1	23807	1	26948	21621	1	23125	22259	25772	1	1	1	13075	19349	39289	17459	13394	1	1	28266	21817	18348	16507	1	1
1084.6512@6.7760005	1	46557	38355	36381	1	41330	1	1	1	1	14578	1	1	1	1	1	1	1	1	1	41100	1	1	47952	1	1	1	39216	34936	20746	40151	52254	1	1	1	1	1
Gibberellin A3	1	39623	100587	547763	304866	39690	95846	1	107129	58177	800921	108207	524143	202854	1	169055	307562	1	1	53503	314490	552330	256073	127074	159615	1	1	45638	239986	170464	82505	187804	163526	99371	121437	87173	11050
1132.6534@6.7372594	2503	176016	13572	1	1	144559	1	1	94757	1	36387	126454	67926	14986	1	14171	12360	1	1	1	1	1	1	34170	1	18696	6270	5875	1	1	1	5284	1	1	1	7163	1
1097.6714@6.7602186	1	1	29847	1	1	37823	60203	1	48142	1	26710	1	17063	36187	38463	46186	1	61325	46026	16652	1	38535	1	1	1	36213	35368	1	1	1	1	43205	71585	18068	1	56608	39721
1357.8373@6.7605205	1	1	8324	1	1	11325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6435	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1064.1718@6.7759967	18780	90984	101852	1	1	1	1	1	1	59551	1	1	1	64834	1	49744	1	1	32709	1	1	1	1	8976	1	59449	1	73981	46609	1	1	1	79800	1	1	1	1
1042.6948@6.7706194	1	1276238	1394318	1	1	1	1	1	1	1	1	930260	1	1	1	669839	1	1	1	1	871924	278768	1	1	1	1261156	1	1	1078598	1	1	610498	1	1	356034	1	961655
C35 H42 Cl N6 O	15937	1	18094	7724	1	14473	18244	56680	10488	24006	37265	11440	23258	28048	1	38781	28199	1	29623	48934	18265	16465	34063	17576	18383	12951	33177	13909	27114	42629	20001	12124	13602	37050	43416	44483	14560
C22 H53 N11 O4 S	1	21242	19562	18600	18523	22908	30402	28203	27277	27516	27519	20617	22511	21416	26201	22464	23947	23641	21636	25631	19940	26723	20806	19785	23308	21315	1	20909	1	12808	21728	23253	19888	20618	20004	20014	20124
C25 H53 N2 O4 S3	2387986	3732946	3778254	2325609	2650502	3039771	1	1	2756472	3320833	2458213	1877922	1755864	2031401	1171746	1613214	2194560	1374418	1848323	3347379	2828539	1931216	2104723	3387249	1422665	1409479	1	2914329	2943299	1	3021505	3722692	2542595	2364844	1551893	1	1
1118.6686@6.782578	1	1	10074	1	1	1	1	1	1	1	1	1	7338	1	1	1	1	22167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
835.9888@6.7837543	1	1	12047	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7474	1	13879	1	1	1	1	1	1
1057.6709@6.7785945	2901	1	20805	1	1	1	1	1	30525	1	30823	1	1	1	1	1	4812	1	1	1	1	1	1	1	1	6197	1	1	1	1	1	1	1	1	1	1	1
1080.6539@6.7936654	1	41139	41838	1	13954	1	36063	1	1	40775	39999	29917	38704	6293	1	1	9974	6979	1	1	39376	32719	1	1	1	22708	6085	1	29743	1	1	1	1	1	1	41245	1
1323.3326@6.791218	5703	1	37875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24828	1	1	1	1	1	1	1	1
LysoPE(0:0/20:0) + 6.7854633	1332090	2390599	3001295	741547	4047242	4044126	2699093	2474264	2087873	1421138	2396182	1990742	3376149	1478851	1842069	1770638	1676623	1976973	1716899	1743579	1226933	2431093	1180207	1438559	1349403	1561880	2303069	2325666	1417848	545679	1761629	1878383	1365703	3159706	1232892	1758894	1562383
C25 H51 N6 O8 S	812121	18949	88596	578540	1005041	46292	638162	736512	21970	26949	199272	44672	162580	191276	1709338	377656	302113	569349	416355	76642	18815	308682	305421	21812	1447556	1352836	1385336	32668	78028	380145	53729	14013	18344	102837	38485	476404	508582
C30 H39 N7 O2	1	25976	28857	1	23279	1	10714	1	19811	24938	1	13092	12253	12150	1	12675	12604	1	15910	21989	21447	1	1	14899	12012	1	21160	20229	20785	1	1	26876	20960	21171	1	1	14897
1092.636@6.79531	177059	1	50890	26155	37341	15288	113923	112429	1	15833	17867	1	49817	75512	96869	1	1	1	1	70054	1	1	1	1	21948	78885	15797	1	1	19459	19739	1	1	56983	1	153748	1
C28 H53 N3 O3 S3	410923	1	356335	94693	43210	1	584174	223796	1	1	391491	1	52574	307832	191116	335376	203447	371755	304295	253771	19682	267361	338942	1	53085	276451	302068	1	263006	1	1	1	1	270559	1	596698	280446
C25 H49 N3 O8 S	2475111	39428	471522	405891	752028	122613	2135962	2806303	1	89324	964271	138861	619264	891469	1610776	1004157	571484	3542984	1630604	649324	31185	1191015	534395	1	424353	1032934	1370369	1	333019	489518	191094	15496	14182	352535	235825	2098049	1548621
2-oxo-5-amino-pentanoic acid	1	56155	58025	91437	35953	1	1	1	45981	88284	1	1	1	61595	1	54500	48039	69455	18550	135969	53323	159120	1	46062	21536	59168	53528	21872	22527	45858	39456	39692	1	45927	1	13990	29150
1028.6792@6.791958	18946	113941	221063	1	195716	81677	1	1	52968	126245	183610	1	125411	45727	22118	56510	48946	44805	51269	77221	37112	66472	20859	122698	1	1	1	47082	152336	1	48207	38512	56193	127641	45475	39318	18205
579.3526@6.790475	1	1	17178	1	1	1	1	1	1	1	1	1	1	17950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1128.6401@6.7898264	7996	11099	13529	1	1	1	1	1	5929	1	1	1	1	1	1	1	5858	1	1	1	1	1	1	13503	1	1	1	1	12246	1	11900	10388	7475	1	1	1	1
1060.6465@6.7738442	66320	843413	824372	40584	410791	1	587069	1	827016	928420	1	1	368591	1	1	1	1	1	1	1212573	834434	1	1	1796798	48576	746062	1	1198064	1	16497	1	519143	794289	874388	1	1	694391
1061.1486@6.7742157	21344	92103	75413	1	53141	78880	1	1	63719	65593	63922	27679	44600	46837	1	41531	52386	31502	42236	1	67995	1	11811	31620	1	23617	1	22331	95162	1	25636	80458	75169	22902	92980	16733	1
583.3281@6.7737036	1	1	20454	1	1	1	23373	1	13800	1	24779	22006	29256	12061	1	1	18025	1	1	1	1	33072	19980	1	8622	12428	11677	1	1	1	1	1	7736	1	1	1	1
Gambieric acid B	20677	1	35328	1	53459	1	1	1	1	1	133042	1	29468	1	1	128367	61803	309804	179368	1	6596	115621	71265	40465	12634	1	103947	1	73076	1	12201	1	7619	26012	65023	40992	168128
1039.6659@6.7487736	1	1	1178250	1	1	1	39862	1	1	1	1	1	1	1	1	58803	47278	1	1	1	1	1	43130	1	1	1	1	1	986722	1	1	1	1	1	1	1	1
C32 H54 Cl N4 O3	515172	548868	406484	385409	305538	544675	312598	328951	452038	608673	513873	371667	412668	446930	272603	433163	482997	368721	425608	683614	615968	441550	439487	597953	298554	357291	359387	506448	569754	318086	618728	490495	511611	492008	598294	462876	377549
Erythromycin estolate + 6.7943406	73042	46922	45636	54553	57130	53902	49647	53169	45465	72922	53213	43904	35507	59201	42881	55879	63820	43238	55167	46610	71529	47396	64852	48324	42299	55088	38620	63721	61799	40146	46270	42662	57894	59915	58114	51381	54024
1076.6222@6.7902412	20966	17854	23248	1	1	1	1	13383	13695	20594	1	1	1	15962	1	18231	18376	23784	20303	51887	17630	1	1	19464	1	1	1	1	24512	1	1	1	1	1	27265	1	15323
788.981@6.799258	97011	59780	63543	66229	15693	73540	1	56780	76636	115828	63105	59637	48598	77915	1	73274	76566	54316	56952	87542	99812	57517	84334	1	53864	63344	47235	86431	80784	48233	83436	68727	84778	67215	92822	62547	1
1018.6929@6.803256	38961	128775	140701	20537	223599	89654	174212	84042	111381	51038	109358	151294	121762	81492	77979	84019	68760	104140	68671	537128	49267	1	66253	49896	51787	74201	106641	59984	1	7007	71238	79681	73181	66857	50757	77911	57352
C29 H41 N7 O2 + 6.8017373	2.80E+07	6.14E+07	5.50E+07	1.71E+07	5.68E+07	5.18E+07	3.18E+07	2.21E+07	4.16E+07	3.73E+07	4.63E+07	3.90E+07	3.99E+07	3.54E+07	2.15E+07	3.61E+07	3.90E+07	3.53E+07	3.70E+07	4.81E+07	3.71E+07	4.28E+07	3.11E+07	4.52E+07	1.82E+07	2.80E+07	3.97E+07	4.03E+07	5.12E+07	1.47E+07	4.62E+07	4.81E+07	4.09E+07	4.08E+07	4.73E+07	4.01E+07	2.73E+07
1555.9762@6.804018	16739	78607	64026	1	1	63744	27740	1	51139	52229	56494	1	45291	43043	1	40386	47463	39766	38192	75420	55794	49958	1	75703	9841	24840	33586	57176	68706	1	67645	71323	63166	56013	62796	41960	1
C26 H51 N3 S3	1	53975	56321	11535	60525	46923	21632	13474	36807	32491	36637	34515	33291	28329	15165	40224	1	27828	25032	40705	1	39408	25003	40721	18030	19431	30924	33903	40881	1	35798	42307	31855	31146	35831	29081	19143
1004.6788@6.8061867	10481	68154	29923	5757	92344	29131	164486	12956	20672	51677	35798	37144	30955	20660	21027	27323	21736	33753	25397	20716	14400	79687	15520	15449	71450	93827	40089	15742	43651	1	22540	61508	18581	22933	12135	21003	18210
1296.3127@6.8058305	13078	60608	54300	1	1	1	1	1	1	1	1	1	1	40680	1	1	1	29420	34844	60790	44077	40188	1	60009	1	1	31947	49243	62418	1	54963	1	1	52170	54385	1	1
1005.6828@6.8080063	1	1	17088	1	1	1	1	10162	25261	1	1	1	1	1	13118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H29 N22 O	125689	83714	142455	106405	51022	96185	56838	65992	82566	131676	79314	62902	65956	73654	55472	80514	86652	52306	78943	124132	102040	84869	77166	85505	68938	71198	62599	88042	95835	94249	92167	83179	99167	91508	112778	81780	73624
Gymnodimine + 6.8054833	2887425	303692	1674652	1762192	937465	308640	237157	1997506	291316	4664418	266288	207827	209084	194844	2030925	3578150	4026159	214724	253388	2216573	185244	318950	3231816	324537	1699396	2809723	277170	219704	1872894	79978	4994772	5350010	4969516	3796855	5057637	3833707	2318640
1037.148@6.8080397	51601	73884	64845	38301	26873	78046	45811	46592	69658	86503	68766	58602	59448	69615	44243	63773	68504	50837	63609	80138	81160	53585	69184	86823	40795	49808	44975	75294	78069	21717	76917	70443	73609	72128	80784	64673	52085
1284.8132@6.812852	21095	65960	56144	1	24357	61066	38323	1	59930	53993	1	51034	53080	51883	26210	46611	50694	42824	43469	60415	53597	49434	46461	62255	18764	35689	42535	55935	60243	3596	60515	60164	58656	56087	51781	44539	1
1014.6645@6.8127747	1	2985713	3231235	1	3924785	3415115	1936580	1031524	2575823	1745597	2540548	2629035	2409589	1949711	1226158	1903912	1933850	2079036	2474747	2330499	1842827	2606942	1734578	2238791	1	1265511	2246904	2089053	2380501	1	2102909	2684848	2246142	2261747	1821500	2034235	1419903
1284.3116@6.8134904	25106	71515	60906	1	29751	65895	43033	1	69811	61046	63116	58385	56216	54048	1	51772	57844	47846	45935	65421	61449	53456	51395	69589	1	40197	46801	63968	67505	1	68382	67134	65432	63189	57213	1	1
577.3368@6.763976	1	22656	95521	36842	95876	1	129369	1	1	29335	45872	23069	1	51656	1	36939	1	1	1	1	16376	1	1	16716	1	1	140255	18607	1	27384	4492	21906	15841	28804	1	1	107552
1531.9764@6.815504	38504	119235	100648	21599	63609	97122	66224	37593	100434	79608	95589	89445	87588	79689	47752	75793	83144	79024	76270	93759	87522	85564	77307	95133	41433	63373	74335	88035	92388	7625	97735	102181	92538	88618	81665	73164	62714
2R-amino-butanoic acid + 6.82218	96007	147419	87886	325993	53802	129983	114808	1	131901	181964	163706	141221	219362	97788	112348	61963	92560	79581	53191	406916	135185	220122	57055	197152	60277	214518	105497	76743	70098	200559	85194	112638	132967	81720	62602	45820	85959
C16 H27 N8	18894	1	6579	10295	1	1	7423	7628	1	1	1	14133	21123	1	7997	1	1	1	1	1	15421	22135	1	17134	1	1	1	1	16883	4858	1	6235	1	8362	1	1	1
C25 H4 Cl3 N4 O S3	4443	5202	9382	20545	1	1	1	13127	1	12623	1	1	1	10776	10476	9505	1	1	9325	10618	1	1	1	1	12586	11641	9471	1	10385	13364	11879	1	1	1	8684	8771	10450
1002.6647@6.8201976	137967	15077	183106	119041	29227	181664	131535	151875	185015	164912	171535	129766	8700	177292	153170	169477	161382	140801	164030	10530	176540	130772	173483	185785	113345	129817	111846	182419	8496	1	176547	13797	182851	178668	133476	152268	153324
776.9807@6.819493	131286	87771	74568	130502	23864	96407	1	111265	88998	143231	88838	54884	78759	101521	81741	95339	98250	74610	96206	118602	115266	72148	112681	115801	88601	87097	57539	103999	101129	88419	88566	86370	100175	87354	109519	87706	90328
1052.6343@6.819329	31656	1	59927	18822	36517	1	1	1	1	1	1	17882	1	1	1	28841	1	1	1	35036	26335	1	27740	1	1	22977	4211	1	19389	12071	1	21385	1	29483	28674	26279	1
1025.1486@6.82224	90166	122812	101332	77480	52954	116192	99859	99234	117439	131231	110011	96407	105725	115766	80220	107339	109952	91803	105342	117934	119629	90565	117916	117735	86508	93653	83405	113409	114757	39643	119696	106731	119568	107814	108623	101735	98160
Buprenorphine + 6.8252945	46378	41454	45889	15247	55301	48447	42718	40155	40809	44542	31032	34866	39528	28720	44511	23449	40748	46066	65655	36493	40432	46528	20168	75252	31870	41284	43337	45318	31426	1	31680	43492	26242	23559	24886	38056	26189
777.4822@6.8201733	110817	53938	54799	95785	20984	62829	72252	95726	65168	93298	66200	34313	56468	69238	70333	71658	77433	55585	71697	78717	79783	55455	86671	79318	72914	52902	1	69340	72148	69130	65352	57099	66983	61695	79130	70547	73248
C24 H51 N3 S3	66937	127159	131254	57015	185129	103315	114715	88792	137396	73144	105202	160331	120587	92197	91540	89302	80340	125457	81983	74228	70672	115703	111517	72466	73769	110386	108244	78566	73695	35765	89162	97463	81802	87368	68475	78149	78028
1519.977@6.8249807	1	33522	29499	1	21840	1	24474	1	32909	18776	30594	34317	30431	25409	18667	24991	23265	27711	23070	1	22789	27794	1	1	1	22295	24198	25086	22038	1	28804	29146	26963	29762	1	1	19980
1272.3116@6.8238025	38000	109980	98100	28385	64918	103485	89294	57165	110724	85305	98472	99906	99119	91090	71602	90355	87839	86166	83553	83779	80765	90598	85469	85749	54595	75013	80271	91651	83955	9814	98163	99070	90619	91864	66913	81892	78999
1272.8135@6.8237433	33801	94340	87384	1	53902	85820	80021	49106	94394	74211	87853	91036	84430	81541	62814	76732	77703	77132	69857	73706	71707	84183	77424	72947	51760	70299	69752	77834	73676	9218	87787	84951	80918	86941	1	75799	63626
1033.1337@6.83	1	1	9181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1485.9955@6.829586	1	192673	28862	1	56871	14267	192251	106607	197881	104825	174494	32872	25299	148120	160831	139263	132209	177173	131885	109673	117692	24860	151517	105828	129381	151913	173356	130394	94893	1	148160	1	144111	147284	1	116351	145336
C28 H47 O7 + 6.827037	6.40E+07	8.90E+07	9.66E+07	5.72E+07	9.84E+07	7.77E+07	8.62E+07	6.80E+07	8.49E+07	6.58E+07	8.08E+07	9.37E+07	8.75E+07	7.35E+07	7.87E+07	7.56E+07	7.22E+07	8.31E+07	7.25E+07	6.46E+07	6.25E+07	9.14E+07	7.07E+07	6.29E+07	7.54E+07	7.87E+07	8.46E+07	7.16E+07	6.47E+07	3.85E+07	7.44E+07	7.61E+07	7.07E+07	7.27E+07	5.43E+07	6.90E+07	7.26E+07
1032.6418@6.8487053	4491	1	19615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30404	1	1	1	1	1	1	1	1	23452	1	1	1	1	1	1	1	1	1	1
Chivosazole F	8436	1	27536	40339	1	1	108859	80171	1	1	34218	1	31435	34652	63712	69552	61618	85002	33682	11400	1	72889	1	1	80554	44503	1	1	9407	48919	15514	1	1	27850	11406	95404	85118
1507.9768@6.831932	49211	1	174861	45126	149222	135137	1	1	1	1	1	210687	177925	1	1	1	1	1	1	1	1	157181	1	1	1	1	1	1	1	15347	1	141292	1	1	71556	1	1
1268.2981@6.838	1	1	18369	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
175.157@6.835272	10640	1	15871	1	1	1	1	1	1	5840	1	1	1	1	1	1	8040	1	1	12437	1	27073	1	1	5048	1	1	1	1	1	1	10197	1	8019	7734	8190	1
PA(O-18:0/12:0)	6801	8978	8858	9051	9296	1	1	11063	1	1	1	8607	9395	7759	8366	1	6985	9290	8469	1	6839	1	7338	1	7231	1	8564	7654	6186	1	1	1	1	7319	5275	1	6876
1260.8141@6.833457	33159	110571	112415	1	100090	92567	133033	1	130473	68368	101111	153751	130211	104418	123112	97810	86600	110924	87066	1	73321	114422	102582	1	92930	105631	108277	85563	1	11562	93364	94878	90484	93130	1	78862	98823
1021.1354@6.841	1	1	16015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1028.6204@6.834223	29470	45220	161772	29536	37648	34948	41926	38974	44675	35438	42239	45735	39389	38307	39466	35059	34771	36795	34319	39957	1	44508	38786	33844	36606	39437	38320	33852	28322	17868	1	35536	1	35870	26512	30727	36912
1260.3116@6.833325	40250	123595	134585	40855	115760	104533	153084	90957	150147	75657	118488	173408	151342	119830	141475	112179	97598	129421	99272	74778	84241	133607	120919	70883	109471	124664	127346	100593	69812	1	104714	110128	108622	109101	45785	88171	116454
1020.6348@6.8375387	1	8151	22476	1	1	1	1	1	7325	1	5467	1	5991	1	5974	9922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10509	1	1	1	1	1
1013.1486@6.8360367	111161	183911	181271	123054	129464	164770	214096	186612	205195	162997	174665	219334	207305	190047	208581	178771	168479	170573	162265	132699	154746	174106	195449	133058	201721	183765	160597	164626	129556	55062	170837	163119	172433	168141	101702	144167	188466
C26 H49 N2 O3 S3	283173	252260	875109	296713	1	225570	183716	1	230377	233283	215710	234008	294235	360346	1	1	197048	116787	151601	209178	196314	202089	1	192634	238631	1	47684	184672	160312	223376	191799	179035	197848	1	185259	166220	177795
1047.1418@6.8365364	7978	1	17974	8844	1	11313	13736	17517	13531	11273	11438	10137	1	14002	14415	12975	10288	8450	9200	1	8333	10678	13735	10682	13900	11827	1	1	10030	1	1	9983	9884	1	7573	9369	9387
Iriomoteolide 1a	1	2224360	1674787	1	1244842	1625628	1866329	1	1886261	1	1708717	1876643	1	1748295	1	1	1	1	1	1598409	1609194	1	1890687	1503960	1	1	1399417	1	1313632	1	1991716	1562889	1	1605769	1256479	1501829	1
1024.1401@6.8401666	1	1	8953	1	1	1	1	1	1	6550	1	1	1	1	1	1	1	1	1	1	7156	5516	1	9160	1	1	1	1	1	1	5740	1	1	1	1	1	3357
C30 H53 N2 O7	1099927	1055423	982337	1106598	1042679	957501	1200084	1185233	1063632	1004368	998141	1030222	1033113	997383	1095435	991862	941377	986127	972826	912639	896765	1015664	1057231	870960	1110306	1063928	959736	911516	855945	792488	1	902074	926956	942690	793543	955261	1033120
1001.6554@6.842292	1	18184	17844	1	1	13378	3842	1	1	1	11599	1	4521	1	1	1	1	1	1	10605	1	1	1	1	1	1	1	1	9962	1	10671	13906	1	1	1	1	1
988.6487@6.842798	31569	122969	220709	15228	329456	92318	95241	51335	106009	40591	80544	108522	1356303	61729	78128	59238	59575	78156	81426	58023	50879	157216	127864	87314	101343	96243	96130	69426	58687	3053	78652	112976	1200287	96666	38772	63395	67037
764.9809@6.841587	205173	205807	194522	251459	125011	195104	218346	262549	236763	238824	204907	231102	210480	227036	236332	211154	205030	183464	195655	187429	211276	194081	242621	185051	258743	215970	172730	198542	173889	150259	201098	187240	203185	192881	154206	167960	220930
1080.6335@6.839742	30579	19817	34426	25057	1	17136	19428	31930	20873	21654	19295	18544	18818	1	1	19989	17879	18660	21591	11762	17933	15162	24545	16842	29113	19452	15631	16583	14526	11976	18970	15517	27254	17013	13644	19403	21795
765.4828@6.8413987	152461	137031	127852	170888	99032	132333	156986	185239	152123	151195	138555	149425	144825	146133	166761	142564	135339	122552	134093	127807	135944	126317	156348	124260	183608	153623	129161	137872	113544	106795	132657	118284	135261	133408	108926	122567	150456
1042.1292@6.8395057	8869	8668	6964	7364	1	7916	1	1	1	9472	8063	1	7873	8305	11503	7458	6298	1	9790	7311	1	8156	1	6717	12005	1	1	7298	8384	3423	6841	1	1	1	1	1	1
799.4766@6.841476	14118	1	14173	14413	1	10101	16460	20666	12069	12789	12620	10529	9924	1	1	12788	11311	13702	13195	1	1	8371	13391	9117	16164	10322	9925	10006	1	37965	9023	1	8682	1	1	10345	1
563.4306@6.8347106	1	1	7739	1	26912	1	13400	1	1	1	1	1	1	1	1	1	11190	1	3611	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1022.6371@6.841638	1	6479	9193	1	1	1	1	1	1	3399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H41 N6 O5 + 6.846096	1	5224131	5297127	1	4610012	4752946	5021033	5305067	4790279	4914364	5051808	4745527	4776023	4585059	4633364	4419097	4330378	4194685	4259152	5170511	4311479	4919149	4592967	4447414	1	4432780	4008867	3960169	4052998	1	4230182	4247479	4323790	4251124	4022853	4292027	4320291
N(alpha)-Benzyloxycarbonyl-L-leucine	13100	1	13824	1	14667	1	1	1	1	1	1	1	1	1	165436	1	1	1	1	69539	1	24745	1	5892	1	1	11963	1	1	1	1	20523	1	174631	1	1	345858
1046.6506@6.8346033	1	19035	39609	14263	54635	17090	57041	88811	20120	19982	1	19235	39082	184169	1	45578	24405	158934	61104	25140	51638	48261	31160	17261	24945	33611	69179	18013	23786	6885	53704	15497	54973	1	18952	22321	57516
601.2724@6.781951	1	1	4597	1	1	1	1	5451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
798.9747@6.841982	21045	14278	20902	19748	1	15656	15518	23912	18311	19630	17135	13377	15562	16485	20990	16767	16074	12540	15876	8987	16189	11869	22615	14255	1	12441	9411	14528	13858	11494	14675	12790	13429	15439	14582	1	17006
C26 H37 N10 O	1	51239	50097	90594	54260	31855	17291	1	319465	21953	29903	22249	26261	17656	1	13695	187136	18372	17715	33709	19918	29245	9840	31449	7927	16790	20548	23980	198111	34011	24660	368118	21260	22615	150979	16062	1
1040.6787@6.8086042	1	1	23403	75293	36630	1	494713	1	1	1	1	1	1	1	19666	1	1	21520	1	1	1	1	1	731995	123111	1	1	1	1	45641	1	1	1	271596	1	1	20120
775.9726@6.845179	1	1	6759	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8203	1	1	1	1	1	1	1	1	1	1	6102	1	1
1005.6468@6.858	1	1	6050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H26 N14 O	11569	1	6370	13458	1	7040	5698	10635	6823	7996	1	3792	5213	1	6648	4849	1	3018	1	1	7519	1	1	5603	1	4693	5535	1	1	11594	6689	1	5487	1	3996	1	6544
315.2041@6.853121	15748	1	75519	13199	1	1	32874	1	27372	1	16892	53160	21332	1	20480	1	1	1	10881	11491	61665	31587	21153	33677	1	18518	6957	11522	22278	1	11018	21405	13411	1	1	1	24580
C27 H39 N7 O2 + 6.8536544	1557807	3012871	5416540	1161525	6513191	2447740	2362724	1690811	2603318	1455789	1959481	2367709	2402819	1747331	2216304	1731982	1836061	2075854	2573359	1947918	1797475	4117057	1593016	3706921	1376629	2825732	2255632	2305496	1959930	517256	2244856	3288611	1925052	3037714	1410923	1820138	2273639
1010.6306@6.851698	63812	172333	256451	1	218865	125318	112415	73541	1	77517	106220	125533	1	89372	94264	78137	1	82652	1	119859	90547	177421	1	155409	1	117585	81314	1	1	1	112061	1	1	144179	1	75970	102006
1097.6228@6.8419857	1	1	6366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6796	1	1	1	1	1	1	1
C31 H37 N7 O2	19761	37804	32915	1	1	29185	7587	1	1	1	1	13488	13842	17377	3672	17082	1	1	21670	1	1	18039	10887	1	1	1	1	1	1	33545	1	1	1	1	1	23113	5043
1090.6193@6.863	1	1	20402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
dl-alpha-Tocopherol nicotinate	1	11569	21441	1	42043	12243	13782	1	12358	1	12155	1	9993	1	9613	9238	8796	10997	11725	9272	7543	16204	1	1	1	8053	14313	11568	6457	1	10887	9678	6362	1	1	1	1
609.3274@6.860917	1	1	56964	1	77571	1	1	1	1	1	41718	1	22434	23885	1	1	8419	1	1	23421	1	54549	9625	1	1	1	1	1	1	1	1	1	1	1	1	1	62913
531.2726@6.8609977	18810	23971	65494	8940	1	15962	22270	14083	17094	10862	18677	14522	17369	13320	15744	1	1	15315	1	26444	9684	43728	164830	20347	1	23377	1	11278	10738	2191	11579	16533	1	17786	1	16105	16509
544.3336@6.8745794	1	1	10870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5782	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
998.6344@6.852148	9395	53043	51088	1	89836	33202	1	12149	1	15745	1	1	1	1	19342	1	17732	1	21018	32957	17903	1	13252	19559	11381	1	1	1	15328	1	1	1	17947	1	8421	13785	1
793.4773@6.8570323	23918	1	10747	1	25448	1	25842	15947	1	1	11423	1	1	7034	22025	8484	1	23245	18346	1	1	18341	1	1	1	15939	21848	1	1	1	1	1	1	1	1	1	13484
109.0196@6.859479	1	5681	7163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28656	1	1	1	6403	1	1	1	1	1	1727	1	1	1	1	1	1	1
763.4585@6.8378754	1	1	7678	1	1	1	1	1	1	1	1	1	1	1	19390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3400	1	1	1
580.3108@6.865396	1	1	7711	1	1	9727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9339	1
C28 H45 N2 O11	95255	54589	101206	99703	1	55423	1	96654	66523	68198	74914	54649	59602	1	1	1	66859	46817	61498	40808	63792	1	72914	55124	81126	1	49101	55379	55795	70116	57506	52993	57732	51824	58034	61227	1
1008.6152@6.863984	1	1	23561	1	1	1	1	1	1	1	1	7208	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
648.3156@6.8607154	1	1	8988	1	1	1	1	1	1	1	1	1	3647	1	1	1	1	1	1	1	1	1	1	7176	1	1	1	1	1	1	1	1	1	1	1	1	1
131.0943@6.864739	1	1	44328	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60916	1	41695	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H39 N6 O5	319531	397124	646847	1	1	310952	342905	283391	323235	222274	315554	276474	334382	245892	326881	270192	270890	267417	384702	447391	222929	620720	208205	1	219141	431713	272771	260871	252538	1	259309	376762	226495	383558	166979	258783	361032
996.6153@6.8679085	1	7248	11316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6901	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/18:0) + 6.8673964	375006	970701	1300431	244238	2250606	849999	722912	399337	775359	553611	793055	857746	795210	574169	754924	584215	604644	839234	752887	650658	486125	1016198	400351	618903	415177	560050	1165851	488744	609874	120344	675451	774508	476600	599071	245681	361904	355436
1069.6382@6.8650694	1	1	49570	1	1	1	1	1	1	1	1	1	1	1	49034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H23 N O4	491057	728622	515978	277436	612363	523555	327191	212297	686469	548144	626231	395971	655006	395692	489401	231950	360849	191204	249510	1285692	318061	701435	147408	762891	376368	687010	449992	341860	390027	79155	363909	258033	189707	432962	164157	163808	378341
C33 H61 O S2	1	72868	72083	1	200265	46396	72314	23252	36852	22910	53466	30226	43472	36628	38051	55046	45043	46945	48407	43658	25491	68409	34373	33760	32483	26313	75025	35045	32585	1	27361	40433	24607	18941	1	38848	23728
1068.6357@6.8537664	71903	1	52244	1	234271	15887	169791	104956	1	8609	98103	17371	42838	30880	40221	52642	34842	185163	90914	47995	3994	145595	1	4239	25679	66845	132583	8132	26040	27305	16592	5313	1	18720	13590	107225	80169
826.4695@6.874	1	1	3979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
624.3148@6.8631196	1	1	5555	2732	1	1	1	1	1	1	1	1	3105	1	1	1	1	3658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1054.6232@6.8659854	4513	1	17147	1	46209	31203	1	1	1	1	1	1	1	1	1	1	1	1	1	3721	1	24739	1	1	1	2360	1	1	1	1	1	1	1	1	1	1	1
615.324@6.877	1	1	20419	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
595.2878@6.874849	1	1	58697	1	40718	1	1	1	1	1	1	1	1	1	1	1	1	1	8177	1	1	17762	1	1	1	1	1	1	1	1	1	1	1	2235	1	1	1
1066.6194@6.8686886	1	1	29845	1	1	1	21985	13687	1	1	1	1	1	1	1	8277	1	1	17153	10844	1	35500	1	1	1	13837	1	1	1	1	1	1	1	1	1	1	15672
565.4437@6.880974	1	1	9634	1	44445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
103.0998@6.8621335	1	1	159210	1	1	1	1	1	1	80164	1	1	1	1	1	1	1	1	1	1	1	1	1	75611	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H53 N2 O9 S	5644910	50374	59579	1	184729	1	81044	41545	30052	1	56651	46346	1	1	24413	41425	27215	37652	33093	61105	1	56858	20097	1	3944349	1	4294309	16984	1	1	20449	21247	20685	19928	18140	42641	4478139
682.3174@6.8773327	1	1	7866	1	1	1	1	1	1	1	3206	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H55 N5 O3 S2	206531	1	51501	85376	272159	1	205638	204756	1	1	61912	1	23478	26146	147623	55226	33165	337396	159272	16420	1	127418	82190	1	36767	121424	261908	1	19027	84524	1	1	1	16875	8745	219038	140841
C32 H41 N6 O9	1	4693	25934	12475	33727	5355	1	1	1	6623	1	7891	14599	10768	1	11840	1	22767	7119	34755	6164	7783	9764	1	7403	1	1	7259	1	13094	1	7646	1	9684	7721	17546	12962
571.2884@6.881691	17093	1	21841	1	46800	4469	1	1	1	1	19787	5685	1	1	1	1	5783	31533	1	1	1	1	1	3961	1	1	1	1	1	1	4549	1	1	1	1	24571	15018
C42 H76 O9 + 6.875981	24259	19961	26902	25900	42176	16692	39127	1	17933	1	37402	20070	26468	13318	22832	21987	1	26913	19966	45283	5611	24624	10481	1	1	15559	1	1	1	1	9521	5115	7255	1	8136	20409	1
C24 H49 N2 O10 S2	185207	1	53163	19700	169316	1	189393	157114	1	1	100754	1	32533	26541	114134	53689	32874	238978	105514	77952	1	164263	10293	1	12922	88899	170393	1	1	1	1	1	1	13398	1	143022	94812
559.396@6.8820767	1	1	12133	1	32688	1	18033	1	1	1	11414	1	8925	1	7467	1	1	1	9767	13420	1	19269	1	1	1	1	1	1	1	1	2244	1	1	1	1	7469	1
C38 H65 O6 S2	77031	1	21757	90282	302056	1	167186	78692	1	1	74867	12795	54115	37286	197070	82985	23480	114160	28951	17677	1	96017	102834	1	186626	220202	245226	1	21117	61988	1	1	1	20193	4056	66681	45589
407.3158@6.883729	1	5346	10331	1	10914	1	6314	1	1	1	1	10784	1	8469	11316	1	1	1	1	1810	8142	1	10635	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H55 N2 S4	163861	44302	225218	1	616893	1	323976	259339	31292	1	200010	138246	209105	1	126088	124725	113964	214017	1	1	21655	1	1	31809	44599	49360	1	28914	56468	19144	51497	34496	41905	69989	28848	1	150454
653.3904@6.8542004	13449	1	29020	101329	282095	13022	1	1	1	1	94253	12502	46826	1	585985	83833	1	1	57603	26058	1	74689	192940	8579	222555	204248	1	8289	26999	84618	1	1	5097	1	8461	82864	61228
C25 H49 N3 O8 S + 6.8840065	1.35E+07	66480	4028118	1829379	1.26E+07	375939	1.28E+07	1.39E+07	1	255682	5738867	607287	2303304	2373829	8922348	4577247	2620090	1.97E+07	9704575	3132494	38675	9670278	1817503	26410	1415295	7761961	1.45E+07	1	1554521	1257106	632255	59128	53050	1575344	881085	1.30E+07	9377636
451.2333@6.8841558	21448	1	7444	1	17273	1	17002	21019	1	1	8151	1	1	1	14397	7847	1	29600	14654	1	1	14470	1	1	1	12171	23134	1	3968	1	1	1	1	2928	1	22940	14433
641.2918@6.8850284	25235	1	35312	6371	31558	1	31853	1	1	1	20160	2976	9122	1	17627	15235	9248	1	18353	1	1	31669	6404	1	7465	22890	39509	1	1	1	1	1	1	1	1	31321	1
485.2148@6.887975	24433	1	10090	4299	10401	1	1	1	1	1	15136	1	1	1	1	9743	5868	18972	13389	15517	1	1	1	1	1	15471	1	1	1	1	1	1	1	1	1	1	14950
267.157@6.9060035	1	1	6315	1	1	1	1	1	1	1	6749	1	7838	1	1	1	1	1	1	1	1	7668	1	1	14153	7423	1	1	1	1	1	1	1	1	1	1	1
C27 H37 N7 O2	21237	69653	88265	1	142207	49812	39101	1	41324	28023	42693	39450	39014	17057	23575	14781	25119	20577	24600	57331	23788	69409	15127	45664	11088	24633	32767	35844	32620	1	37044	55911	20656	35873	35431	37678	12760
670.3174@6.8896723	16529	1	28815	3124	1	1	14799	8835	1	1	18021	1	4505	3847	1	6456	1	1	6689	1	1	29194	1	1	1	1	11545	1	1	1	1	1	1	1	1	5838	5690
809.5898@6.886464	1	17204	26470	13995	26918	12133	27916	23934	14025	1	1	16672	1	1	16387	16705	12718	22763	17437	22901	1	25236	1	1	1	17505	16957	1	1	1	1	1	1	1	1	1	1
C7 H3 S	17836	1	20633	23161	1	20512	15320	15847	23732	29386	23358	11130	25171	21176	1	1	23490	16199	15583	1	25047	1	1	1	16891	18238	1	24137	1	8704	24448	22868	27938	24518	17383	1	1
781.5601@6.892	1	1	6945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
254.9701@6.890026	1	1	9015	5561	1	1	1	1	1	1	1	3412	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H15 Cl	1	1	53261	6686	84021	13111	1	1	18411	9456	13943	16029	1	14257	18495	6751	17639	8946	1	17848	1	466349	1	12835	1	18017	9216	13137	1	1	1	40845	7268	15995	1	1	17510
661.2837@6.8928146	1	1	13493	1	12905	1	25687	1	1	1	10938	1	1	1	1	1	1	1	1	14791	1	1	1	1	1	1	4952	1	1	1	1	1	1	1	1	30958	9407
555.2937@6.9114327	1	1	25032	1	41288	1	26325	39391	1	1	33293	1	11572	1	23879	13664	14154	60139	38094	30918	1	54957	1	1	1	30442	59673	1	1	1	1	1	1	1	1	1	1
243.1041@6.8980436	1	1	2743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.3661@6.894082	13186	24283	41305	4846	1	14618	1	1	15178	7504	1	18290	31695	16146	1	26469	20637	1	1	1	1	1	7119	1	1	25504	1	1	1	1	1	10083	6924	1	1	1	1
689.388@6.898637	121287	1	5628	22815	1	1	1	1	1	1	44436	2498	17123	21019	135476	38274	25250	1	79999	1	1	62252	1	1	1	161301	1	1	1	1	1	1	1	1	1	1	1
561.3419@6.9630547	1	1	67968	1	78935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28222	1	1	1	12463	1	1	1	16464	2724	1	1	1	1	66632	1
529.3502@6.8969727	26140	30044	61927	10748	1	1	1	1	1	11382	1	30306	47714	24774	36502	29990	1	1	1	1	1	1	1	1	1	1	1	1	18296	1	1	1	1	1	6793	1	1
579.305@6.9375105	1	1	9639	1	10755	1	1	1	1	1	1	1	1	1	1	1	5930	1	1	1	1	1	1	1	1	1	97164	1	1	1	1	1	1	1	1	1	1
C28 H51 N3 O5	61183	216531	264361	46365	947239	157862	335038	100086	153169	84726	238946	164368	192548	125321	168459	149816	144289	222275	158288	178521	1	288910	100677	107242	110262	1	224481	124678	95797	34797	118273	146018	104249	111754	76095	186155	108669
C28 H45 N7	6725	1	22630	1	69823	1	22519	7306	5979	1	1	1	7424	9425	1	11827	13077	16925	19049	8382	1	12944	1	1	8079	1	1	5443	1	1	1	12361	1	1	1	8864	10961
C23 H52 Cl N8 S	139851	273299	425925	98411	1139848	246718	433224	232006	283005	128878	307875	282630	276210	199940	177290	171389	175234	279574	215929	260350	287120	404872	137967	190861	113948	382022	490002	212629	179133	53820	231122	245166	257057	206471	144993	302363	171153
C23 H51 N6 O6 S	163714	248349	109422	46270	545992	156628	211831	202385	179644	82532	287641	192413	226957	162114	171213	178252	150532	256067	286322	347202	126028	61998	74436	165954	124781	198036	274032	126375	108785	30175	118654	114025	104864	120719	88836	61592	141304
489.2826@6.9054165	44676	46985	94660	1	1	37397	1	1	31160	25634	84276	46428	74081	27836	79921	36283	42905	1	90823	1	1	1	1	3867	38801	1	1	1	1	1	1	1	1	1	1	56888	1
603.3504@6.9003468	24900	1	4597	1	1	1	1	1	1	1	1	1	1	1	20001	2067	1	1	9553	3011	1	1	1	1	27701	19772	19791	1	1	1	2584	1	1	1	1	1	3364
505.2566@6.9110227	1	1	4588	1	17158	1	4189	1	1	1	4656	1	1	1	1	1	1	1	3879	8591	1	11804	1	3122	1	1	1	1	1	1	1	1	1	1	1	1	1
229.0887@6.9149833	1	4215	10574	1	9221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66881	1	25302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H49 N9 O S3	45665	1	74810	24648	99075	1	99765	155103	1	1	26664	21815	26067	29721	109508	55184	29975	157065	83530	9754	1	64017	26602	1	111309	71510	223702	1	11693	14326	1	1	1	10222	1	70688	98285
Buprenorphine + 6.915001	275610	419853	670996	123165	1501221	425876	483292	336636	371185	288440	346927	418536	445854	222247	370130	214559	304815	487866	495072	484740	352707	748566	198208	618461	231927	505111	699004	409402	356660	74096	346132	470042	277852	287560	195837	303346	288268
C38 H56 Cl N6 O3	29871	1	18956	37179	153313	1	1	58150	1	1	24724	1	21727	21085	68174	40507	28076	59614	120068	10880	1	1	24787	1	84487	62938	107055	1	12050	21349	5885	1	1	15876	1	50437	45266
C29 H59 N6 O9 S	405082	1	23979	170468	1130785	21704	284157	327151	1	9188	1	17346	80169	91445	393928	1	103176	290729	251352	106025	1	120906	116126	20606	457464	440035	723223	10295	1	95175	16952	4773	7411	36261	12633	194084	131331
273.0781@6.9156756	1	1	3436	1	3261	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10719	1	5877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Otonecine	1	31693	36070	19534	38311	19937	1	1	21684	22547	32940	25368	31836	20514	22254	21043	22811	19268	14042	46465	19317	62830	16588	23378	19524	16638	18803	12535	14898	1	20448	21477	17914	24340	1	1	18056
693.4212@6.8952637	62018	1	19431	1	158470	3370	104012	102605	1	1	1	1	1	1	100815	1	1	56921	122755	1	1	1	11134	1	110990	113956	1	1	1	1	7946	1	1	14028	1	75264	42301
C27 H41 N7 O	16262	40772	17878	1	52263	36604	23161	1	19660	25496	40986	11641	25495	23176	24512	25960	34178	1	29701	28293	24173	28453	1	31818	16536	1	30944	25465	33503	1	19046	28235	21740	29299	1	16768	24432
C24 H48 N13 O3 S	30048	34896	23346	41530	29670	24437	35820	28928	30976	26802	26682	25307	26590	25736	24720	18809	28666	24752	22984	22915	22544	31026	30268	25188	1	28835	29643	25464	27910	17465	27044	26773	24761	22224	21567	25323	25621
C18 H N O21 S	1	17856	13669	24429	1	11171	16556	14106	15666	1	13187	1	1	12732	12236	13456	1	1	10076	1	1	13779	14563	10554	16708	12256	11199	12994	12012	12826	14161	14324	1	1	12815	12913	11946
C29 H43 N7 O + 6.9334135	1	21311	28648	1	54319	18817	15709	4096	20012	10350	13738	20885	18264	14875	6947	11465	10769	10097	6817	10890	13023	17784	6263	12985	5045	10075	16206	20016	13719	2982	18216	19317	21047	14172	10255	14044	6555
639.3017@6.907033	33371	1	110434	1	1	1	1	94882	1	1	1	9429	1	1	1	1	1	113916	1	1	1	45887	1	1	1	1	1	1	16590	1	1	1	1	1	1	1	1
C26 H54 Cl N O7 S	59050	32337	132445	63713	1	1	240627	55379	1	11968	89494	25167	110677	87411	46299	109846	70336	1	1	1	1	1	69216	1	77849	106858	1	1	1	11320	86753	1	28911	48740	22721	1	1
533.3111@6.9052505	561296	1	61969	1	858466	31998	1	629410	1	1	137972	1	1	84618	605951	1	1	976486	1	1	1	1	1	1	139879	1	774502	1	71179	61994	49622	1	1	1	1	574993	1
425.7754@6.963058	1	1	21157	1	1	1	1	1	1	1	1	1	1	1	1	4336	1	11714	1	1	1	2728	1	1	1	1	1	1	1	1	1	1	1	5214	1	9174	1
C28 H57 N6 O9 S	131859	1	32793	151941	630286	21126	162559	97393	7147	1	98700	20957	100529	73809	319384	130841	97146	135667	117739	29198	1	102781	155472	7855	270648	348468	311802	12664	47491	90228	24281	11258	8615	40208	12618	118393	102892
C28 H57 O3 S3	78877	1	49047	18380	151081	1	210220	128949	1	1	1	55146	6770	1	20618	77271	134101	49874	169070	1	34910	9554	1	47305	68782	1	306286	34229	142362	1	1	25655	1	80445	14037	69092	30263
C3 H8 N	1	52446	39004	36680	1	1	55760	26489	40208	35706	48220	46355	34741	31655	1	27688	37941	1	1	99786	44872	67841	1	52091	1	30524	39417	19983	30631	17078	24474	23564	1	1	20628	19995	21320
235.1951@6.961	1	1	3746	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Carboxynorspermidine	1778513	1936241	1462166	1358929	2195141	1309860	2013013	1112348	1570035	1314338	1816402	1601977	1300843	1151715	1056049	1097576	1476552	1150854	1302410	2956414	1412544	2321107	777420	1847181	786764	1181175	1324604	701540	1072927	610419	832066	938250	950689	1144292	749280	732444	848242
C11 H26 N2 O4	35340	42623	26627	26336	52175	21079	45705	20542	33065	23078	40577	32998	24553	1	17649	18926	27809	20890	23236	89378	27254	57012	1	40724	1	24189	30079	1	1	1	1	1	16293	19737	1	12434	15993
2S-amino-pentanoic acid + 6.959881	4.16E+07	4.48E+07	3.66E+07	3.42E+07	5.25E+07	3.46E+07	4.85E+07	2.91E+07	4.04E+07	3.49E+07	4.61E+07	4.21E+07	3.48E+07	3.17E+07	2.88E+07	3.01E+07	3.87E+07	3.07E+07	3.49E+07	7.07E+07	3.89E+07	5.69E+07	2.15E+07	4.89E+07	2.13E+07	3.20E+07	3.65E+07	2.03E+07	3.08E+07	1.75E+07	2.33E+07	2.70E+07	2.71E+07	3.24E+07	2.17E+07	2.04E+07	2.45E+07
C7 H7 O4	85696	63902	80391	54928	110430	41572	101402	52086	50086	41294	90259	61689	54444	45190	54870	47458	60117	58035	56511	64402	46643	132014	26905	56918	40335	65351	76319	22758	36286	1	26447	27735	29011	42368	22446	38685	43623
Cyclopropylamine	29410	29256	23844	23968	32933	19850	29459	17615	26271	21024	27384	23854	21673	1	1	16434	21240	16934	18211	56108	22629	37675	1	29392	1	18396	1	1	1	1	1	1	1	20131	1	1	1
243.1471@6.9732127	1	15739	16817	14138	15830	16113	1	1	17840	13841	24654	12602	10161	8957	12970	8967	10426	1	9182	23473	12310	1	1	16570	1	24193	1	14820	9644	1	11406	7732	4972	6440	7154	1	9265
C28 H49 O6	224062	606567	779046	185899	1701995	471159	599234	305957	483334	276793	533881	540548	647355	438991	398210	456273	383616	554510	451864	310227	362441	500632	327293	397418	341284	445392	646215	414854	360185	118408	430188	460348	460972	450100	237748	445017	346153
358.1423@6.9777107	1	1	8758	5687	17307	1	1	1	1	1	26077	1	18964	1	1	1	1	1	1	1	7419	18287	1	1	1	1	1	1	4879	1	3192	1	3550	1	1	1	1
355.103@6.9773817	1	1	6650	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C27 H39 N7 O4	37722	1	17717	11195	29698	1	39232	65825	1	1	9639	1	6626	6532	55650	13896	9080	42026	49725	1	1	33560	6360	1	36985	39891	44566	1	1	1	1	1	1	6873	2025	28613	42669
Lindheimerine	1	8187	5051	7625	1	1	1	6443	5205	1	5897	1	1	7970	1	1	1	6891	4613	1	1	13368	6460	1	1	1	6698	5632	5696	1	4721	6852	1	5370	5885	4949	4174
C34 H55 N3 O10	67481	18036	29317	30674	74474	5765	113491	125784	13502	12555	27170	11541	27771	38193	68869	1	53256	87007	45736	18160	8600	46155	24750	10585	58740	48292	60862	11630	1	40498	15329	15378	11039	20712	12549	93299	75705
Butoctamide hydrogen succinate	9068	1	36208	1	7463	1	1	1	12157	1	7125	16954	9264	10467	1	1	1	1	1	1	18424	9080	1	9183	1	8464	15034	1	6689	1	1	6850	1	1	1	1	1
C32 H65 N3 S5	52109	1	34665	60864	165068	11399	179009	136498	1	8924	53383	1	45754	55488	144971	87128	66450	136951	68258	19758	1	104644	54414	1	183628	111140	120614	5357	22711	63811	18432	1	1	35992	12986	129718	136467
C28 H47 O8	65333	136320	137788	57257	223395	108158	7374	63680	7347	72093	122014	11618	128131	90076	78085	89025	75335	125073	156256	110907	144923	5657	68055	166175	67386	12986	140751	89478	8086	29940	111859	74394	95008	83676	46800	64317	80991
575.3213@6.9962454	1	1	32962	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11655	8101	1	6551	11204	1	1	1	5172	1	1	1	1	1	52475	1	1	1
C27 H41 N7 O + 6.987086	1	24923	30351	1	68545	22030	13592	1	1	12064	23687	17295	17995	16274	16438	12950	14754	20000	22112	12704	16616	24211	1	19926	1	14517	25434	22514	15823	1	20332	1	16130	17591	1	1	9780
C31 H41 N4 O5	1	11347	84932	15576	90051	20471	94278	56667	8152	12637	33453	24796	29152	50883	44295	37403	21486	71051	40617	37724	1	101475	10904	13728	1	1	86709	1	9833	9458	36597	1	1	17303	18382	58870	39834
103.0631@6.9277816	1	1	13904	1	1	1	29726	1	1	1	1	1	1	1	1	1	1	28561	1	1	1	27473	1	1	1	1	29403	1	1	1	1	1	1	1	1	1	1
583.3118@6.9762897	535975	1	66485	117210	262322	1	377888	832577	1	1	1	25685	1	1	322209	1	1	540985	324677	1	1	132314	1	1	99049	206837	642655	1	1	1	29643	1	1	1	1	564729	373931
565.3066@6.94053	1	5579	17069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8329	1	1	1	1	1	1	1	1	1	1	1	1	1	1886	1	1	1
Nelfinavir	1	1	314611	60081	281239	19635	232122	351760	1	17113	139888	49516	1	64888	220681	97600	82758	363255	284737	115158	1	36916	54451	1	1	196117	452453	1	86317	17822	90474	1	1	57852	75809	280331	150252
727.2809@7.007	1	1	4424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H56 Cl S4	63266	1	17167	5712	31602	1	50260	100087	1	1	22305	1	1	10879	24646	15672	16652	34115	80213	6025	1	43165	4515	1	34261	46639	125936	1	7196	1	1	1	1	1	1	54885	30806
C29 H45 N3 S	1	21545	25579	3048	69732	24359	7894	1	24925	15608	24838	14340	11733	19376	10351	8869	15374	14817	22221	14653	12921	14767	6904	17123	9914	10236	25987	19861	15941	1	22529	18747	8936	1	4146	1	6387
131.0943@7.024115	1	1	52605	1	44277	1	1	1	1	1	49050	1	1	1	1	1	1	1	1	82489	1	60316	1	44816	1	1	41679	1	1	1	1	1	1	1	1	1	1
583.3608@7.019922	1	13168	15037	1	1	10123	1	1	12647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13544	1	1	1	19347	1	1	1	1	1
C29 H39 N7 O3	636824	57690	490506	215071	853780	130218	528984	884944	29071	66324	606258	135434	329699	342754	578096	434058	703093	812182	866553	248229	26306	746534	155261	1	549431	665444	1186659	53883	243143	61730	208350	53664	45698	201082	167833	513582	457981
C28 H49 N3 O7	142896	11384	55899	1	1	11117	116910	21268	12830	1	28043	152760	18379	52583	21317	27066	1	32210	35358	1	17866	60646	46250	14682	1	1	59259	1	23758	32983	1	15249	1	80463	1	110989	41281
C14 H23 N8	23647	1	21618	14965	16944	1	17909	11077	1	1	1	28651	40060	1	16858	1	1	1	1	11938	17023	45579	1	24619	1	24034	18647	1	20150	1	1	1	11710	16105	1	1	15372
DL-2-amino-octanoic acid + 7.0471787	4918321	1.03E+07	1.59E+07	5300625	1.64E+07	6808443	1546099	415234	7570312	8166673	8859052	9865118	3981833	6472526	5976908	4122624	8282172	4790270	4105573	9764905	4075281	2.39E+07	4561031	8375748	3818513	5763499	1.13E+07	4167503	2110721	881773	5589888	1.03E+07	4031475	3612739	1621412	315400	4472292
C37 H63 N3 O6 S2	1	6878	23511	65304	261150	5822	104553	35278	1	5104	62945	1	57449	5292	159729	85946	68620	68102	36766	14724	5137	90664	64004	1	119414	130019	166783	5394	1	5217	14192	1	8090	34515	9573	49605	75753
237.1036@7.046772	1	1	6053	1	9527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3684	1	15637	1	2938	1	1	6728	1	1	1	1	1	1	1	1	1	1
59.0732@7.0499783	1	1	6320	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2085	3024	1	1	1	1	1
195.1024@7.051669	1	39576	50166	1	53091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C27 H56 N8 O4 S2	25459	30884	27491	38717	29745	23848	28421	23890	28125	22096	24070	20843	21448	1	24482	25832	23165	24370	20920	20430	19765	27267	1	21503	26357	23865	24256	20962	22454	14477	21186	21372	18625	19804	20300	1	22511
p-Aminobenzoic acid	1	3439484	3186854	877118	3786519	1558651	1	1	1564676	2881857	3983434	855701	1132866	1486126	314450	961890	1872074	1814458	1113601	4329527	334780	2021850	783897	475118	566731	1405088	2508086	1144540	381781	510466	1109778	1317958	1003811	530584	1	1	296460
Heliamine	305309	1239244	872891	1042747	1	989721	1005401	974461	1010464	998539	955290	997422	963512	891458	911626	938736	917970	911702	860012	898499	904454	798197	983416	903653	898200	873406	902798	925939	908670	1	915748	891908	874013	903636	897633	945191	1
C25 H O18 S	12668	17134	12768	18258	12908	11216	13954	1	12266	9841	10685	10243	11150	1	10063	8590	8374	8438	8510	11397	1	11896	11505	10252	11825	10936	10797	9724	10654	9882	1	10208	10397	1	9886	10873	1
N(alpha)-t-Butoxycarbonyl-L-leucine + 7.0559106	828376	1516743	1551818	717646	1351845	1456930	723079	428351	1827903	1309022	1465883	1086951	1312083	547143	1112517	448842	637013	448172	383395	4989423	770212	1763173	291094	1599398	635549	1392684	1056602	614197	816451	210787	672121	877896	714152	912839	361903	329175	810888
C26 H45 O6	8177	31903	42542	8918	134770	28895	13370	8443	31580	17093	39726	24904	28611	20501	22329	18771	20912	23396	24187	20203	24691	33692	12835	25846	13419	17496	42190	31903	23881	1	30078	30725	20715	17060	1	9111	15643
259.1604@7.056808	1	1	14367	1	103129	1	1	1	1	1	1	1	1	19511	1	29619	1	30297	34897	1	1	1	1	1	27929	51200	64158	1	12266	1	1	1	1	1	1	20905	1
C25 H49 N3 O7 S	1064072	1	755503	653213	7121011	260583	1417036	610964	1	129963	1265167	141541	979925	774409	1157274	1433430	1324667	1223717	1308742	76303	82299	2074696	480050	137128	1077599	2008615	3113066	105180	451755	58172	280075	131693	106708	377486	1	912389	863595
651.3768@7.0585084	1	1	8635	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3364	1	1	1	4725	1	1	1
C25 H47 N3 O8 S	142172	52341	275487	51956	64215	60292	30259	219176	18986	33487	78350	59495	65757	105174	87491	120883	268341	136065	61334	95997	15922	94991	28358	50487	229634	166106	305642	42161	25876	16732	91036	39282	20254	64243	63479	118167	44346
292.8785@7.071	1	1	1531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H46 Cl N2 O4	17487	14248	26840	18730	48274	11142	32702	33312	11442	9312	35000	20865	30782	18441	31245	17748	27357	28526	37332	1	3663	46444	11286	1	57709	36273	50358	8586	15897	1	13172	1	1	18454	8949	22036	33746
C26 H51 N6 O S3	1	1	36200	1	476466	1	68781	1	1	1	130978	1	66035	87864	1	59332	52806	1	1	39377	1	114823	36811	1	40356	51278	71026	7875	56078	1	16727	1	8647	31006	42908	31245	23882
537.3405@7.040515	1	3530	85584	1	577621	1	1	146136	1	1	1	45416	1	1	129934	1	1	1	225159	1	1	260297	1	39459	212138	256214	1	1	1	9355	1	1	1	53359	41687	138137	131918
727.2811@7.078	1	1	21103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H21 N3 O2	1	31104	43674	17308	43275	14331	1	1	29483	22152	42519	1	14741	5773	7869	6653	16177	1	1	70683	9150	28954	1	24008	1	20030	21789	13172	10813	1	19139	11860	12821	1	1	1	1
Lentiginosine	1	754517	942828	392016	906761	372388	1	1	680149	557230	908145	319909	325681	159461	204653	180525	345459	151957	264566	1580820	292313	525769	91393	598751	119746	464899	434564	385530	292493	57140	402208	275592	385510	275086	1	1	115414
511.327@7.059204	38754	6802	20085	1	1	1	90397	1	121199	1	1	141560	9236	20178	10081	9472	1	1	1	1	1	94690	1	1	13155	92351	10720	1	129873	12863	1	9476	1	31762	5056	1	15923
L-Leucine	1	529609	116496	1	116058	194973	1	1	204522	409086	529892	597510	1	90247	175670	1	83529	128684	79876	1244481	559200	265327	1	166443	1	142111	90464	379457	242086	1	131204	71594	56112	1	1	1	78570
HA-1077	1	17847	20130	1	1	10985	1	1	15315	11593	29004	1	1	1	1	1	1	1	1	24336	1	13713	1	1	1	8363	11016	1	1	1	1	1	1	1	1	1	1
C31 H50 Cl N2 O S2	87687	1866	20901	17953	39605	1	59232	151312	1	1	1	1	10836	1	1	1	1	1	87264	18310	1	31978	1	9159	1	57822	128272	1	12389	9452	1	1	1	1	1	1	1
1-Aminocyclohexanecarboxylic acid	1	2652914	2444683	733765	2254534	997085	1	1	1585117	1880964	3059578	748855	519622	434893	370051	290403	866936	457920	495043	5223423	992889	1073326	305833	1165927	236166	923693	1174903	1071683	633943	157542	1021057	565314	710747	655637	1	1	264604
247.994@7.1363106	8192	1	6841	1	1	1	1	1	1	1	1	2277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H19 N3 O2	1	140912	135512	41419	125232	47729	1	1	84628	96778	164838	39877	28329	20596	17294	13203	43577	26615	26596	255305	45644	60585	12328	56420	12942	51860	63263	48683	31790	1	50320	26306	31485	30657	1	1	12444
289.1524@7.1266785	1	80667	17081	1	95646	1	1	1	1	25168	1	2039	7741	1	1	1	1	1	1	1	1	1	1	1	1	6186	1	1	1	1	1	14599	1	2553	1	1	1
559.3266@7.105367	1	1	47829	23274	1	1	1	27061	1	1	70429	1	1	37148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
7-Mercaptoheptanoylthreonine	1	62076	21024	12212	21929	29432	10058	1	48096	43054	49105	53168	20436	44643	6814	30062	32411	27109	9015	88327	6546	20240	8979	18004	26044	19658	19890	15095	23233	3158	24783	23429	5799	54129	4692	1	1
731.4001@7.1242943	1	1	3161	3623	31861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
587.2859@7.144086	49195	21624	25363	1	1	25799	36903	1	1	3449	23778	1	2030	1	1	1	20163	31365	23366	19734	1	25291	1	1	1	27188	1	1	1	1	1	1	1	1	1	1	15037
521.3464@7.126409	1	1	33578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17389	1	1	1	1	12630	1	1	1	1	1	1	1	1	1	1
541.2805@7.1380987	1	6678	20944	1	36570	1	1	1	1	1	58040	1	19000	1	1	6594	7675	1	1	10489	1	1	1	1	10116	9533	1	1	1	1	1	1	1	1	1	1	1
577.3382@7.1293626	1	1	130496	1	1	1	1	1	1	1666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35225	1	1	1	1	1	1	1	1
Taxine B	247884	1	37188	1	115704	1	126858	430990	1	1	46795	1	1	1	203424	55988	60161	230801	128680	1	1	73218	1	1	97998	110095	1	1	1	9338	1	1	1	1	1	1	95859
C26 H57 N2 S5	263968	42432	150196	46063	1	27482	138696	37434	13340	23866	184446	49643	64452	42371	60801	49079	63250	54139	39794	122723	3288	1	1	15073	37685	50848	40409	1	21728	6787	10548	11014	1	29427	18119	19043	22602
539.2624@7.139333	1	1	8545	1	7505	1	3239	1	1	1	15198	1	5304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
609.2786@7.1349373	12117	1	7369	1	30295	1	1	1	1	1	1	1	1	1	1	1	1	6753	1	5195	1	9334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
595.2915@7.1524053	1	1	22635	1	19815	1	59400	1	1	1	24808	1	1	1	1	6063	9743	9304	1	7243	1	56195	1	1	1	6422	1	1	1	1	1	1	1	1	1	1	4490
550.0468@7.132708	1	7434	2670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H48 Cl N O10	128818	1	109472	20012	97320	1	106869	160713	1	1	63577	54425	54541	38697	52401	33936	42408	78213	35923	28958	1	1	1	1	12808	41002	1	1	5355	12013	42984	1	1	26355	26035	74680	46991
507.2959@7.1324625	7519	1	19701	5926	22607	1	13806	1	1	1	14294	1	1	1	5453	1	8782	1	10814	1	1	35531	1	1	15518	8865	6953	1	1	1	1	1	1	1	1	1	1
621.3027@7.150303	1	12427	80817	20769	1	1	1	1	1	1	91768	1	1	17723	1	13160	24053	1	1	1	1	143316	1	1	1	1	1	1	1	1	1	1	1	18984	1	17080	1
C29 H39 N7 O4	150967	1	147359	1	141918	20917	105947	157352	1	1	129381	1	159253	27143	49087	1	51473	67046	61028	1	1	225027	1	1	49305	74289	160676	1	93063	1	14557	1	1	1	10697	31971	140430
454.0656@7.141039	1	1	6510	1	1	1	1	1	1	1	1	1	2369	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.2764@7.1573286	1	1	14309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
730.5977@7.133	1	1	6741	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C27 H39 N13	8544	1	29850	1	101076	11696	19503	1	16246	9602	21361	12924	17404	1	1	1	5819	1	1	1	1	11771	1	7781	1	5713	1	1	1	1	1	10214	5869	1	4711	1	1
C8 H10 N S2	9113	7204	29254	1	21420	6639	1	1	18938	30276	56913	8486	25158	1	1	1	1	1	1	190006	7264	138021	1	21143	1	4592	1	1	1	10478	1	11915	1	14554	1	1	1
643.2748@7.1448765	25653	1	63560	1	26450	1	1	42715	1	1	24482	1	1	1	1	1	1	1	1	16186	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H34 Cl N3 O S5	1	11585	34454	1	25873	1	1	1	16059	21954	34823	1	23019	1	1	1	1	1	1	78155	1	75794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
611.2839@7.1403446	56493	10629	207518	20123	1	27336	1	53631	1	20922	1	1	1	1	1	1	97076	30143	1	30236	1	122196	1	1	1	29733	1	1	1	1	1	1	1	1	1	1	37660
724.546@7.138001	1	6046	7831	1	14550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
541.3119@7.1386695	1	45729	27633	1	56531	6734	1	1	10772	6210	1	1	8656	1	1	1	1	1	1	1	1	2904	1	5493	1	1	1	1	1	1	2339	1	1	1	1	1	1
C5 H6 N5 O2	251794	274406	580855	175441	512521	217143	272266	171821	508957	627738	1131507	298455	605709	171309	1	163599	253057	215946	146186	1	289534	2270665	80615	518877	139569	208134	93015	178878	114189	368632	199239	409529	253485	460367	1	138888	157247
C16 H18 N4 O S	5143	4457	33745	1	20938	3011	5389	1	22667	39826	97925	1	36478	1	1	1	3890	1	1	1	7292	268422	1	27223	1	1	1	1	1	13212	1	15903	1	19208	18225	1	1
809.5901@7.1536684	36836	41483	31460	14398	38099	23826	24181	18115	24569	16162	28149	24273	18242	11111	12909	12503	10822	20513	1	18901	11625	21090	1	21792	6950	14035	1	1	1	16135	1	14275	9744	1	13783	15346	7467
C32 H17 Cl N5 S	27884	36332	57443	16251	39296	21898	24224	9376	47578	26809	68033	29210	50292	13996	16640	13708	17154	18148	4557	110754	26115	52386	1	19968	4901	14805	1	15351	1	1	15404	36695	21929	35703	20147	10518	11084
555.2959@7.1404343	1	1	10011	1	40873	1	1	1	1	1	12316	1	8729	1	1	1	1	1	1	1	1	189688	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
629.0915@7.145855	1	3415	7498	1	3327	1	1	1	1	1	3830	1	1	1	1	1	1	1	1	12323	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
886.1474@7.1472406	1	6955	10493	1	4506	1	1	1	1	8139	13565	1	7951	1	1	1	1	1	1	1	1	5566	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H37 Cl N6 O S4	21471	25459	52992	10474	42363	1	18152	1	42158	47208	58813	25767	47963	9876	14672	11070	13059	13050	1	149373	19633	54777	1	37003	1	10350	1	9621	1	30532	14414	33687	19265	37058	16110	1	1
(R)-(+)-2-Pyrrolidone-5-carboxylic acid + 7.1568255	1412749	1503759	2085152	955521	1977341	989947	1279991	780601	1547441	1693070	2964525	1151576	1829144	793139	1012833	836935	918073	956443	616564	1.07E+07	993816	6866413	436257	1397463	608299	869766	431607	740834	393581	1135388	794367	1176323	883636	1287720	856305	660638	652702
826.5469@7.144751	1	1	8752	1	1	1	1	1	1	2923	22752	1	1	1	1	8680	1	1	1	1	1	14377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
150.0401@7.154275	1	1	29165	1	1	1	1	1	19886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9384	1	1	1	1	1	1	1	1	9211	1	1
806.6268@7.1548924	8872	16919	23681	7666	5320	1	26476	1	35638	1	1	16439	1	14363	10337	12637	1	18060	1	13464	5315	8550	1	8312	6465	1	1	9577	1	11784	6741	13640	9121	16204	10577	7572	8668
C37 H16 Cl N8 O	1	2869	7604	1	1	1	1	1	6660	1	9211	1	7021	1	1	1	1	1	1	20075	1	1	1	4266	1	1	1	1	1	1	1	1	1	1	1	1	1
810.5933@7.1469507	1	1	22793	1	23964	1	15941	1	14156	9617	15163	1	10696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
685.2835@7.157126	22731	1	94616	1	65688	1	37059	24899	1	1	1	6627	25112	1	33084	8504	6225	38690	1	13904	1	30715	2022	1	1	19475	1	1	1	1	1	1	1	14488	5892	19629	19709
(+)-gamma-Hydroxy-L-homoarginine	11463	13380	19520	1	18366	1	9846	1	14257	18659	25598	1	15456	1	1	1	1	1	1	60634	1	45736	1	11137	1	1	1	1	1	1	1	1	1	11531	1	1	1
835.606@7.147991	1	1	15275	1	16380	6397	4823	1	1	1	11064	1	6555	1	1	1	1	1	1	1	1	1935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H33 Cl N O4 S3	15607	12306	28698	4886	21596	1	1	1	21482	21828	32034	8678	22144	1	1	3592	7410	6528	1	76104	1	67663	1	16572	2180	1	1	3062	1	5554	1	10198	1	16103	4823	1	1
881.1695@7.1471276	1	1	2883	1	1	1	1	1	1	1	5356	1	1	1	1	1	1	1	1	1	1	9294	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H21 Cl N2 O5 S2	87389	143750	179619	63831	156244	87487	79600	45857	140340	149614	197152	91064	150736	12318	60753	14257	63166	55979	27333	306880	77738	257627	22994	86376	35431	51259	13201	48853	15586	53915	49388	98529	65448	100900	55063	30578	11617
C29 H55 N3 O S2	29525	41360	38320	8896	129382	22095	95649	40043	23547	15145	37286	23988	37794	10425	5686	28711	23836	42457	13140	15999	1	50262	8714	11092	6137	15480	12936	3569	4422	1	1	15944	10762	23477	5947	23158	1
358.0837@7.1584635	1	1	21451	1	17623	1	1	1	1	21133	1	16033	22290	1	1	12922	1	1	1	1	1	26179	1	1	9474	1	1	1	1	1	1	1	1	1	16757	1	1
538.5926@7.1526527	1	1	5683	1	1	1	1	1	3810	4772	1	1	1	1	1	1	1	1	1	13112	1	1	1	1	1	1	1	1	1	1	1	2960	1	1	1	1	1
627.2882@7.155508	1	1	37994	1	39799	1	17062	1	1	1	1	1	12572	1	13312	1	1	15208	59818	1	1	1	1	1	1	11484	1	1	1	1	1	1	1	1	1	1	1
C30 H44 Cl N5 O5	135161	1	144263	50688	1	1	289863	218679	6680	1	284473	30165	253544	70961	165718	53648	99731	15359	107843	48494	1	1	12728	13775	1	1	167622	1	15207	14900	20715	14680	1	43727	53735	1	56158
622.6164@7.1532307	1	1	1913	1	1	1	1	1	1	1	6310	1	1	1	1	1	1	1	1	1	1	6273	1	1	1	1	1	1	1	1	1	3099	1	1	1	1	1
526.1343@7.157906	1	5111	10207	1	1	5869	1	1	1	1	16511	8719	12390	1	5962	1	1	5951	1	1	1	1	1	12151	1	5592	1	6514	1	12197	7062	1	9166	1	1	5577	1
832.6427@7.1578937	1	29873	46464	1	94119	27375	19996	1	52498	27814	1	23840	34942	13827	13659	16773	14915	21874	10555	23868	20858	11965	4346	24857	7845	9195	1	12752	1	18100	13304	17086	15378	23760	6454	4711	7060
624.3108@7.156334	1	1	9670	1	1	1	1	1	1	1	1	1	1	1	1	1	5505	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H27 N O6	94876	35735	65722	45383	43956	47418	69011	43672	49048	34372	52833	62641	107139	19496	66424	19222	22153	17286	13419	65772	38333	119107	14519	91386	20270	42540	29480	38405	41357	11541	23638	46591	26582	46221	36379	31494	37393
509.3471@7.141533	1	11727	25665	1	40476	1	1	1	13595	1	17558	1	1	1	1	1	1	1	1	1	1	19227	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
783.5751@7.1442885	1	1	9985	1	1	1	1	1	1	1	13516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H6 N4 O5	13174	1	57404	1	56975	41373	44905	1	1	47948	68599	1	66858	47671	44806	49280	1	44909	1	90841	56911	1	36507	61575	1	47861	1	49457	1	15281	56578	67455	1	63996	56116	44258	46158
Cucurbitine	265268	330491	276510	258468	275967	250754	280307	241382	264055	265438	277509	241273	256784	243395	241491	241807	244613	248998	243306	268991	245518	285460	245268	263465	231730	245273	245155	234927	246686	139326	247490	265687	272099	259962	255522	247026	239865
83.0371@7.149738	1	1	38647	1	37363	1	1	1	25686	28886	47941	1	29117	3595	1	13816	1	1	1	162120	1	106383	1	1	1	1	1	1	1	5779	1	1	1	1	1	1	1
C28 H55 N5 O2 S5	1	1	178022	1	100974	1	57870	32853	1	4562	1	14872	9382	18434	29494	22220	18744	59694	6116	30857	1	104359	7552	1	1	1	8048	1	1	1	1	1	1	29740	15305	27492	62371
243.0154@7.159626	1	1	15049	1	11034	1	1	9598	1	4808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7328	1	1	1	1912	1	1	1	1	1	1	1
579.2584@7.147218	1	1	12638	1	1	1	1	1	1	1	11713	1	10233	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
695.2912@7.160348	1	1	78662	1	30443	1	1	1	1	1	1	1	22762	1	1	1	1	1	1	8958	1	1	1	1	1	1	1	1	1	1	1	1	1	12577	1	1	1
677.2784@7.1513696	8730	1	44900	1	1	1	18445	11314	1	1	1	1	1	1	1	1	1	123108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H49 N2 O4 S2	1	44545	71687	1	146739	25581	114365	76517	37812	25932	72033	30221	1	12164	1	1	125801	1	143484	18800	16204	179375	39917	24610	116635	1	1	13207	43724	1	16980	26977	14766	20249	10182	1	1
Leu-leu-tyr	1	16766	14511	17770	15226	12116	15626	12700	14590	12858	13762	13210	17930	16530	13074	12248	12158	14890	13382	1	12575	28844	15183	11768	1	16265	14441	12198	10066	11391	10524	15389	11273	9801	11541	14558	13529
651.2824@7.161963	1	1	17364	1	1	1	1	5025	1	1	1	1	1	1	1	1	1	1	1	1	1	19811	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
407.7461@7.1548643	1	5655	5060	4780	5185	4044	1	1	1	1	1	1	4626	1	1	1	4052	5690	1	1	1	13013	1	4653	1	1	1	1	1	3230	4068	1	1	1	1	1	5202
661.2835@7.162141	161208	1	73862	17431	133869	1	212848	256115	1	8781	84943	13565	68353	30917	126441	52204	1	1	1	99073	1	213042	1	1	7378	106233	1	1	9636	1	1	1	1	1	32393	125905	99027
513.2487@7.149972	1	1	13264	5769	25445	1	1	1	1	1	9720	1	9233	1	1	1	1	1	1	3695	1	19344	1	1	1	5020	8643	1	1	1	1	1	1	1	1	1	1
633.2838@7.152	1	1	9232	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.3603@7.1609025	1	1	2844	1	1	1	1	1	1	1	1	12047	2083	1	1	1	1	1	1	1	1	5803	1	2124	1	1	1	1	1	4110	1	1	1	14552	1	1	1
618.3061@7.1534834	1	1	5844	1	1	1	9361	1	1	1	1	1	1	1	1	1	2804	1	1	1	1	10533	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
569.2727@7.155	1	1	5669	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
404.1125@7.1544294	1	1	7299	1	1	1	1	1	1	3691	4098	1	6332	1	1	1	1	1	4387	8673	3819	1	1	1	6364	1	1	1	1	1	1	1	1	1	1	1	1
413.7751@7.089203	1	1	2022	1	1	1	52523	35864	1	1	3136	1	3960	1	1	28623	17339	38356	1	12408	1	1	1	1	1	1	3269	1	1	1	1	1	1	1	1	1	1
533.3089@7.159063	274305	66019	250796	19335	113693	34779	1	1	1	1	1	1	1	1	1	1	41137	1	1	69328	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
573.3039@7.171632	258307	71195	340091	100547	1	82425	265343	397916	1	77187	1	1	433810	199500	318238	249554	541319	1	1	447341	1	1272455	30089	83043	22890	287573	335423	31017	48401	13392	1	68609	1	176872	128715	192505	1
C28 H62 N6 O4 S3	13991	22629	22376	27196	22684	17857	17588	22401	22704	17205	14199	16758	17657	16268	18440	16333	16128	17932	16153	17715	12973	23500	19443	17246	17383	21006	18565	17112	16458	16827	15569	16082	14860	15344	16643	16329	16603
C23 H N O22	1	14032	9058	14867	10357	8685	11129	1	10446	1	8801	1	1	7756	8690	7362	6553	5885	1	1	6045	1	1	7403	8243	7172	8396	9034	1	8229	8658	9996	1	1	6350	8239	1
C28 H47 O8 + 7.165878	572099	78983	312413	35345	149596	47684	533477	58260	71034	73937	191945	1620853	222040	369653	139905	184055	61240	170984	144269	123970	188664	791923	371560	206668	149324	172896	136100	69021	160643	398474	78450	201782	80631	1005216	43964	573604	280734
C23 H47 N6 O7 S	1	1	369757	100702	923812	1	1	1	109302	89402	1356409	190782	1	1	1	1	1	895933	752016	604611	41398	886504	1	1	911885	1	1	74632	246949	1	277080	79959	73804	1	215341	1	412154
609.2794@7.184307	1	1	7825	1	1	1	1	1	1	1	9381	1	12499	1	1	1	1	1	1	15614	1	20686	1	1	56138	5403	1	1	1	1	3898	1	1	5441	1	23088	1
553.4088@7.1903095	1	1	3572	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11419	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
587.297@7.182724	1	1	36478	1	1	1	1	1	1	1	1	1	14244	1	1	1	1	1	1	25999	1	1	1	1	11121	1	1	1	1	1	10964	1	1	12050	9726	17351	1
Alanine	25875	1	30800	1	23852	17654	26669	1	1	21624	1	1	22014	1	1	17679	1	19245	1	32879	20617	42114	1	23897	1	22591	22744	1	22417	1	1	23092	1	1	1	21008	21016
p-Aminobenzoic acid + 7.2129807	1	78388	54033	75813	61382	78291	1	1	72682	74909	168586	71420	85264	59467	32888	42250	70855	45445	42788	276921	47749	140774	27863	91167	55085	84403	87475	63247	36474	1	55719	38235	56281	92722	1	1	38634
C19 H35 N5 O6	12530	15772	14935	14948	17852	12947	20422	15619	15592	11516	12134	11023	14177	1	11888	1	11602	19477	12730	11410	8338	23609	13711	11603	13041	12965	13933	12545	12247	1	12443	13684	10274	13268	9546	15986	14526
551.322@7.215779	738291	1	311620	1	1	1	549186	1063294	1	1	340338	1	1	1	735620	563945	1	1	1	1	1	1	1	1	1	553125	1169954	1	1	34673	1	1	30538	1	1	1	1
581.2965@7.160646	26270	1	7375	1	1	1	1	1	1	1	12394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
565.3007@7.2515063	1	6451	16128	1	43856	1	1	1	1	1	1	1	21800	11802	1	14087	41461	1	1	17126	1	61310	1	1	1	1	1	1	8210	1	8576	1	1	9062	1	1	1
C25 H3 N3 O18 S	1	9147	8262	11144	7124	6356	1	6509	1	7583	6134	1	1	6366	5321	1	1	1	1	5390	4777	7205	1	1	6632	1	7559	6518	1	4711	6536	5782	5467	1	4979	1	5096
C26 H44 N22	17646	17166	13660	19825	21431	13238	17114	15205	16547	13349	13688	9172	12568	12067	14223	11827	10158	12034	10792	13176	9590	14807	15565	10647	1	15817	17335	11156	12272	12710	12957	12259	10112	10047	1	14465	10986
C10 H19 N O4	715948	2656582	1527091	1030679	2306063	1182545	693910	338622	1709725	1221941	1947546	2130683	1677772	745515	1601558	680156	888546	703834	832858	4960198	1156807	2481532	585044	2094558	842582	1904034	1820276	785984	1110262	314442	883400	1023211	1163704	980533	355433	350448	1221377
545.3455@7.255325	1	1	12628	1	1	2750	1	1	1	1	1	1	1	1	1	1	1	1	1	3443	1	10763	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
616.3201@7.29	1	1	10741	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
637.298@7.2244306	1	1	14439	1	1	1	32481	1	1	1	1	1	10137	1	17796	6293	5952	1	1	1	1	90135	1	1	1	1	1	1	2655	1	8729	1	1	1	1	1	1
647.3896@7.294	1	1	3032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
511.3634@7.2952766	1	1	7523	1	11117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
533.2756@7.28151	1	1	24517	1	6668	1	12758	1	1	1	17337	1	9216	1	1	1	1	1	7567	1	1	22616	1	1	11769	12299	18146	1	1	1	1	1	1	1	3232	1	1
449.1275@7.2953653	1	10904	19115	20198	1	1	1	1	1	1	15416	1	8732	1	1	1	1	1	1	23384	1	14684	1	1	1	11517	1	1	1	1	1	1	1	1	1	1	6704
611.2844@7.2674084	1	1	6012	1	1	1	1	1	1	1	6200	1	1	1	1	1	38025	1	1	1	1	140891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
651.2779@7.2972927	1	1	31326	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3646	1	1	1	1	1	1	1	1	1	1	1
493.0913@7.2942114	1	1	3334	4990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.3517@7.283889	1	1	7731	5018	17504	8622	2687	1	1	1	1	1	1	1	17668	7055	1	10957	10617	1	1	19171	1	1	14965	16660	27306	1	1	1	1	1	1	1	1	3222	1
568.2358@7.2971396	1	1	6407	8447	10485	1	1	1	1	1	9280	1	1	1	1	1	1	1	1	23912	1	18692	1	1	1	1	1	1	1	1	1	1	1	12601	1	1	1
832.6428@7.2603955	1	1	6406	1	1	1	1	1	4389	1	1	1	1	1	1	1	1	1	1	48682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
515.1155@7.2971454	1	1	3163	2233	1	1	1	1	1	1	1	1	2348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-Alanine + 7.295138	64969	141089	155538	173709	137093	98082	92763	47360	109776	88648	155967	105006	138730	88897	82670	67943	77431	52977	48323	294430	90209	241519	47102	114539	52733	116248	67985	65573	35125	74726	56678	104415	99060	210623	60950	68985	101693
306.1022@7.295262	2865	14032	12403	16084	13860	6633	1	1	1	9584	15181	11355	11265	1	6452	5127	1	1	1	1	10510	1	1	14893	5181	11104	1	7326	1	1	1	13832	12592	17979	7501	1	13457
340.1164@7.2961936	1	1	4026	1	1	1	1	1	1	2505	1	1	4169	2498	2386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
431.1647@7.2953277	1	1	3760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8879	1	5904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H13 Cl N5 S	1	1	21332	28843	14011	1	1	1	13297	1	21000	11833	17541	9266	8265	7061	1	1	1	16324	1	1	1	14386	1	1	1	1	1	5981	1	10721	9974	1	1	1	10020
C11 H27 N8 O9	25890	246815	367575	433546	276035	133938	101857	1	190194	116194	389917	164975	289613	103809	96607	1	72685	1	1	798064	118683	631170	1	205428	1	242988	1	45084	1	54840	1	181433	143267	564219	1	1	157198
C15 H40 N8 O12	1	80696	126162	165897	86591	1	22228	1	57482	1	131367	46690	94199	1	24204	1	17119	1	1	446088	30174	307464	1	65346	1	73910	1	1	1	12882	1	55258	40634	245588	1	1	47744
C22 H39 Cl N7 O3 S3	1	27599	56743	70361	1	1	1	1	19004	1	44685	12849	32189	1	1	1	1	1	1	130783	1	102691	1	1	1	1	1	1	1	1	1	1	1	96510	1	1	1
677.3294@7.294579	1	1	71679	98415	1	1	1	1	1	1	73225	1	52269	1	8538	1	1	1	1	273311	1	189414	1	31021	1	43221	1	1	1	1	1	1	1	172289	1	1	25561
C6 H5 N2 O4	16852	31410	44165	41322	40996	23455	26853	11729	30561	22624	40186	28027	30609	24116	26548	17682	19951	14229	1	1	21391	55943	1	25791	14710	32310	20204	15185	8701	1	14199	25848	25203	1	13263	16714	23654
Creatine	7236302	1.82E+07	2.11E+07	2.30E+07	1.81E+07	1.29E+07	1.13E+07	4979272	1.47E+07	1.18E+07	2.11E+07	1.36E+07	1.80E+07	1.12E+07	1.06E+07	8576975	9570183	5886757	6490974	3.66E+07	1.12E+07	3.07E+07	4960167	1.48E+07	6043884	1.54E+07	8309306	7637552	4639702	8618935	6337401	1.34E+07	1.23E+07	2.59E+07	6904372	7589719	1.28E+07
Creatinine + 7.2947903	94968	185064	229159	244742	237224	1	150675	79170	1	1	235596	1	204681	131676	139842	107134	119793	87425	90180	1	119281	1	59951	163564	87947	202130	129363	84534	49257	96099	74283	151668	129023	275370	77626	112628	171678
C9 H7 N2 S	11462	16004	18374	1	17734	15311	11880	9348	15288	15203	15536	1	17970	15732	1	13234	14759	1	10477	9308	15742	1	11061	17027	11593	18188	12145	13244	11580	12776	13787	16987	18066	21769	1	14559	16440
C5 H11 N3 O4 S	24231	33414	30455	1	34369	19770	31205	22208	32069	32505	1	1	33117	29764	29967	28099	29270	25640	25280	19586	28327	1	21380	1	25898	33185	30369	26632	23103	17219	23518	33160	29287	18627	27845	28022	32940
C8 H17 N2 O3	28283	60332	68590	73977	59741	39265	36465	18980	51404	40871	67353	46081	56906	33616	35631	28790	32474	22724	21962	93295	36630	83315	16543	44983	22929	46742	28940	26931	19176	25702	23050	46876	38699	66028	25744	30382	40266
342.036@7.2958136	1	1	4398	5237	4315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2540	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
682.3912@7.300772	1	1	4434	1	9763	1	1	1	1	1	8095	1	1	1	1	1	1	1	1	1	1	27248	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
669.2875@7.2142096	1	1	11919	1	1	1	1	1	1	1	1	1	26070	4753	12763	1	1	1	1	1	1	35742	1	1	1	7144	3369	1	1	1	1	1	1	1	1	6822	8560
685.2841@7.299097	1	1	16671	1	1	1	9989	1	1	1	1	1	1	1	4968	1	1	4584	1	1	1	10229	1	1	1	7998	8482	1	1	1	1	1	1	1	1	1	5175
613.3006@7.2726746	1	1	58565	19243	88665	7692	69054	1	1	1	28613	1	1	48739	1	32256	1	1	1	1	1	1	1	1	1	38054	1	1	1	1	1	1	1	44593	1	44236	1
835.4429@7.301504	1	1	1794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H44 Cl N6 O	159734	14605	202269	112244	346125	48152	215665	332962	1	1	252354	41646	1	1	245079	1	1	202346	213265	99703	1	407622	1	1	85995	193068	441400	1	1	1	50332	11852	10834	1	1	138532	172845
577.3692@7.3056474	1	1	7390	1	1	3646	15013	1	1	1	1	1	5256	3918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3412	1	1	6789	1
451.7715@7.3240523	1	1	3741	1	1	1	1	1	1	1	3905	1	1	1	4526	4066	1	4582	1	1	2773	7802	3611	4069	1	5259	1	1	1	1	1	1	1	1	1	1	1
C35 H57 N S2	9724	20297	7208	1	26846	1	1	10316	1	1	1	1	1	8517	4915	11403	1	17040	11097	11581	1	31396	1	13226	1	1	10109	1	1	1	1	11605	5753	26346	1	16293	13263
303.168@7.3418775	44237	1	48648	1	1	1	39479	1	1	1	1	47625	35052	1	22837	1	1	1	1	19892	33177	41798	1	1	1	1	22638	1	1	1	1	1	1	1	1	1	23425
497.3482@7.3292627	1	8085	20307	1	39981	1	8608	1	6500	1	7171	10170	1	7797	7720	1	1	7676	6609	1	1	11598	1	1	1	5412	8035	4344	1	1	1	1	1	1	1	1	1
2-Formyl-1-indanone	1	14027	35994	27388	43308	10375	1	1	10483	10868	21364	60640	64173	7973	11860	1	10987	7583	1	23396	31525	55334	1	29569	6409	27406	37004	6324	22289	15642	1	22820	31095	12535	1	1	13743
451.235@7.3751965	1	1	12513	1	1	1	3628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
275.1737@7.3720307	1	1	28073	16876	1	1	1	1	1	1	1	31715	29829	1	22632	1	1	1	1	20739	1	66855	1	31051	1	1	1	1	1	1	1	1	14171	19445	1	1	18443
C8 H4 N O2 S	1	35705	23376	17062	23549	27023	1	1	26715	40156	67963	14590	16484	11340	1	8740	17383	11331	11908	69170	13231	17183	7118	16476	7441	19060	28860	21176	10495	1	23323	7274	12899	1	1	1	1
C29 H60 N13 S3	9024	15077	11652	19700	15508	1	11599	1	13570	9878	9234	7579	1	8694	9110	10518	8302	9254	7304	10082	1	11194	11959	10062	10311	10173	1	10720	8014	8816	7252	8650	1	7811	7793	9054	9526
Phenylenediamine	1	1	1118878	1	571775	1	1	1	1	1	35704	33145	37081	1	1	1	1	1	1	31696	1	1665742	1	1	1	1	1	1	1	1	1	27403	1	307350	1	1	1
686.9271@7.3878713	1	8010	5882	1	1	1	1	1	7149	1	1	1	1	1	1	1	4541	1	1	5271	3678	6388	1	1	1	1	1	1	3948	1	1	1	1	1	1	1	1
140.0583@7.4610987	1	1	69352	1	23664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25245	1	1	38976	1	1	1	1	1	1	1	24548	1	1	1	1	1
C15 H43 N11 S3	10505	11832	9798	11612	12200	1	1	9795	9400	8431	1	1	8320	9594	8486	1	1	1	9636	1	8656	16663	9625	6846	9128	10027	7647	7497	9147	1	10064	1	7848	9693	6700	1	8709
C25 H45 N6 O8 S	1	1	63271	1	1	1	1	1	1	1	45609	1	1	37359	1	1	26657	1	30947	1	1	1	28742	1	1	24574	1	1	27941	1	21701	1	1	27494	33451	135945	92200
261.1572@7.4086576	1	1	10393	1	11750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6298	1	9980	1	1	1	1	1	1	1	1	1	1	1
535.2909@7.3816295	10236	1	9148	1	1	1	16811	8317	1	1	9900	1	7380	1	1	1	1	10376	1	1	1	12847	1	1	6399	1	10372	1	2905	1	1	1	1	1	1	1	1
C24 H35 O10	221112	1	17544	20160	40265	1	132105	369325	1	1	28509	1	9279	8308	160969	27716	16983	223634	146480	12982	1	72397	12031	1	53876	82376	324142	1	14295	23547	1	1	1	3444	1	118447	113703
C30 H49 O11	1130184	15470	170660	139079	621983	21523	663511	1756095	1	16699	170892	37043	170011	132183	992969	262743	330156	1038433	782250	109553	7450	836650	23282	1	402936	798441	1995514	1	1	32707	56857	1	1	86288	69846	479044	481011
C15 H37 N9 S3	6901	7781	19729	6502	43047	6768	17084	28656	1	1	13830	1	9958	7518	19828	9425	8061	22971	20882	12686	1	46258	1	9734	17256	22041	51783	1	1	1	4767	13023	1	1	1	10777	12788
627.3389@7.43657	1	1	2233	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23186
202.1316@7.44014	17418	1	32371	13062	15548	14871	29702	10442	17016	8467	15002	34717	21575	1	13610	14776	12738	1	1	44214	14679	50527	1	19278	12460	28997	8436	12058	10308	7225	1	8646	1	19802	1	1	7833
361.2102@7.461995	1	1	3801	1	1	1	1	1	1	1	1	4784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Nelfinavir + 7.450638	127370	18227	50710	117992	229025	57365	133482	142164	1	1	245187	17343	76446	41722	123587	99965	150605	106731	291568	58890	1	215837	50155	72935	283369	163559	298294	1	47474	16241	26343	17638	13728	25022	20388	69119	97073
188.116@7.466275	1	19540	22915	1	1	14939	1	1	1	17828	31900	16269	16920	1	1	1	1	1	1	66980	1	44340	1	13292	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H27 N7 O3	10634	1	9152	1	19818	1	10648	17941	1	1	13541	1	5499	1	9509	1	7387	10176	16201	6644	1	24100	1	1	11296	13631	21799	1	4179	1	1	1	1	1	1	4984	8852
C24 H33 O9	119247	1	22228	30153	69078	1	123221	210528	7951	1	71331	6174	21569	22847	111914	47054	49481	135885	186141	22247	1	91641	15170	15096	123095	94347	287227	9873	17991	16677	8908	1	1	6214	1	74312	79223
345.2152@7.4814754	1	1	6100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H39 N4 O4	8474	10428	7022	9724	1	1	1	8304	9462	6628	1	1	8411	9386	1	1	1	1	7133	6512	1	7997	7439	6906	8012	6612	1	7902	6904	7037	7010	6645	6062	5432	7897	1	1
618.3347@7.486	1	1	9061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N2-Acetyl-L-ornithine + 7.505078	1	30337	55478	24964	52962	23401	1	1	1	28535	71304	1	18482	19717	1	20778	1	25132	17632	116456	19383	65945	1	1	1	1	1	1	1	1	19902	23502	1	18471	1	1	1
477.9677@7.500159	5660	7213	5745	10510	5483	1	6568	1	1	1	4851	1	1	1	1	4475	1	1	1	5610	1	1	1	1	1	1	1	6614	6297	1	1	5396	1	1	1	4433	4787
C23 H25 N7 O3	17447	1	15745	11668	28214	1	22729	32077	1	1	17808	1	9409	6390	10864	12140	16506	20115	12554	12458	1	37615	4228	1	1	16802	19908	1	9012	1	1	1	1	1	5755	11150	12564
C43 H52 N10	8500	11661	10600	14471	1	1	10799	1	9227	7778	1	6419	4505	7800	1	6938	7267	8227	1	5671	5709	1	9951	6553	1	14118	1	7314	7711	8482	6931	5793	5613	1	1	1	1
C10 H13 N8	1	18114	6846	1	20260	11179	12838	6778	20049	7754	15907	26472	37862	11163	19874	12743	12428	10252	1	32575	8490	72958	5207	13908	5926	1	15518	5726	1	1	1	5332	12519	10781	1	1	14719
381.1719@7.508095	1	5320	6277	1	50259	1	1	1	1	5095	1	1	1	2967	20883	1	6564	4262	1	18086	1	75287	1	1	1	24971	11023	1	1	1	1	1	1	8630	1	1	4340
Decaline	72557	1	14636	19242	47207	1	65447	142720	1	1	43077	1	10558	1	66557	25688	27330	78134	95555	10207	1	84968	9432	1	46483	60384	128392	1	9325	1	1	1	1	4130	1	48505	46318
C14 H27 N O S2	72109	19599	43285	33157	30291	23947	56800	26087	24297	24600	29236	21257	30572	11813	31901	9846	15238	10427	10999	41500	27175	60048	10141	30422	11124	23945	18538	19169	15075	9737	11007	22660	13224	23313	16315	19059	21291
1-Aminocyclohexanecarboxylic acid + 7.5476794	1	24782	34253	1	33188	1	18461	1	1	1	28495	27279	46041	1	29811	1	1	1	1	34326	1	64851	1	28226	1	1	1	1	26657	1	1	20143	1	31108	1	1	20804
3-Butynoate	26131	22822	36162	25578	35777	20840	1	12141	19670	15942	22516	37312	47290	10478	27023	13371	15100	10237	8525	42147	20112	75590	8844	34328	14885	21546	19563	10320	23830	10700	1	20434	22110	29246	1	1	17209
Methylitaconate + 7.548231	30292	28228	43283	28103	40338	19797	24552	12471	24484	18525	27984	38202	53270	14400	1	15644	18925	13215	1	49882	24492	92811	1	37150	16285	25314	25068	1	30400	12986	13405	25603	24693	31448	1	1	22568
Isopentenyladenine	3.68E+07	3.65E+07	4.60E+07	3.72E+07	4.53E+07	2.67E+07	3.15E+07	2.09E+07	3.29E+07	2.69E+07	3.50E+07	4.43E+07	5.27E+07	2.19E+07	3.63E+07	2.52E+07	2.76E+07	2.01E+07	1.56E+07	4.93E+07	3.24E+07	6.77E+07	1.78E+07	4.29E+07	2.43E+07	3.25E+07	3.21E+07	1.90E+07	3.65E+07	2.15E+07	2.20E+07	3.49E+07	3.35E+07	4.08E+07	1.15E+07	1.35E+07	2.94E+07
C16 H13 N2 O3	13812	14807	27091	18960	32856	9957	18260	10639	13476	9979	16115	1	36891	1	17966	10021	12241	7378	1	36156	13741	57236	6924	24975	10029	18364	19571	1	18306	7945	7598	17684	13524	25371	1	1	1
C7 H15 N O2	1294225	2667745	1822952	821909	2274832	1690983	1278728	679956	2525234	1762671	2986590	1432441	1113066	825621	1227915	1020656	1274826	790898	1058054	6582855	1223587	2691479	465197	2331299	743498	1257016	1267333	1437192	1696233	304168	1260559	1189941	830907	1060321	521679	544973	983621
211.0667@7.565759	1	2846	6907	1	9626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
94.053@7.574835	1	1	364403	1	24670	74301	1	113432	1	1	17578	1	17957	71022	1	1	1	18169	1	26070	76937	24372	1	1	1	1	1	20433	1	1	1	1	1	1	1	1	40107
N-Acetyl-L-Histidine	3982	1	15067	1	12013	1	1	1	7788	1	9500	1	1	1	3623	1	5493	1	1	23967	1	27245	1	5309	1	11975	3812	1	1	1	1	6765	1	1	1	1	1
C36 H57 S4	1	1	42749	14609	63324	7318	1	1	1	1	1	13598	1	1	1	24743	1	1	1	1	1	56646	11669	1	31955	15052	20531	4811	16811	1	19137	9597	1	14351	13196	1	1
593.3329@7.587085	1	1	48010	1	1	1	1	10371	1	4669	1	12705	1	1	1	89659	1	69480	103096	1	1	1	1	1	147256	92702	1	10062	12357	7773	28420	1	1	1	33773	78112	69949
608.3146@7.587	1	1	4497	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
128.0583@7.588201	1	20862	21993	1	26122	1	1	1	1	1	25964	1	1	1	1	1	1	1	1	42367	1	26211	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Alpinine	116291	1	11388	21959	64199	1	75262	151086	1	1	22557	1	10701	13542	90378	25562	28828	97568	136634	7377	1	66547	7899	1	86434	63240	203648	1	8972	13556	1	1	1	1	2986	54193	53681
273.1578@7.610445	1	1	8932	1	1	1	1	1	4829	1	6862	9005	9148	1	11550	1	1	1	1	11926	5071	13873	1	10902	1	5339	1	1	8147	1	1	4374	1	14814	1	1	18331
C35 H72 Cl N3 O S4	6979	8151	7594	11381	9769	1	1	7024	8474	5756	1	4836	5938	1	1	1	1	3971	1	6093	1	1	1	7121	1	6494	1	1	1	1	5383	1	1	1	1	5795	7172
C11 H17 N8	1	1	12395	1	13066	1	1	1	10572	1	5049	9318	1	1	1	1	1	1	1	1	1	25487	1	1	1	1	1	1	1	1	1	6336	1	1	1	1	1
Ectoine	1	761369	560539	72820	325422	216158	1	1	189012	640830	836118	46592	53321	260518	36613	136440	433644	345186	229704	1398978	60872	230276	215892	98562	119029	171384	568602	147098	82821	33293	182726	88894	75700	50929	1	1	23951
6-Hydroxynicotine (R)	1	22520	25028	27522	28293	1	26047	22470	23938	24647	31356	18858	22584	1	24209	17449	20848	26502	20280	29503	25103	663491	18214	1	21181	25327	1	1	1	1	18279	20879	21831	1	1	22747	21569
Tyr Glu Ile	68396	1	29465	20889	95549	8093	59773	105942	1	1	61605	6270	26985	22034	59579	28675	38522	57031	61161	34965	1	124524	1	12355	40288	68300	127243	1	14014	5306	11163	1	1	10120	9179	31957	37023
2-(6''-Methylthio)hexylmalic acid	259596	980413	1156143	385330	951663	598716	361948	347733	649626	680637	1281300	490192	718341	352657	392429	282730	392898	334054	254566	1078565	363842	1070622	197799	511985	311310	593590	807885	357268	366080	126500	385411	327141	373337	286791	208852	191039	302514
5-(1-Hydroxyethyl)-4-methylthiazole	1	35551	39323	12271	36306	22137	1	1	22021	21160	48588	15857	23707	1	13902	1	1	1	1	35954	1	36903	1	1	1	17703	29579	1	1	1	12055	1	15521	1	1	1	1
2-Cyanopyridine	1	113003	110781	1	116144	1	1	1	75975	1	136500	1	76129	1	41562	1	1	1	1	108728	1	115475	1	1	1	60893	120582	1	1	1	1	1	1	1	1	1	1
505.2073@7.660431	1	1	15494	1	27568	1	1	7533	1	1	19231	1	9317	1	1	1	1	1	1	10291	1	42520	1	1	1	16783	28733	1	1	1	1	1	1	1	1	1	1
216.1224@7.649899	7701	17645	24046	14457	30775	17375	1	1	1	18482	44374	6333	9942	16434	1	6532	8808	1	1	250800	3926	107667	1	7521	8289	13858	10917	8420	1	1	1	1	1	6907	1	1	1
C19 H37 N6 O2 S3	33423	1	51774	25302	152188	4281	73058	43709	1	1	44900	8122	38086	15402	41985	29590	27305	49055	17587	39947	1	251865	16418	1	18628	64264	79564	1	14152	6520	10759	5037	1	15279	6584	30013	46049
C6 H9 N6 O2	23743	25403	39857	31320	73919	31398	33190	13376	35627	43579	72789	25899	31451	18202	17606	24093	24746	35079	1	101397	18924	53174	1	45438	1	67403	25419	23242	1	15207	1	19843	19412	1	17907	1	1
C21 H31 O8	1681225	110530	299304	387308	1100526	138985	1618667	2844209	90083	64671	930279	90520	280702	283041	1556274	541296	483336	1805152	2437650	708239	38443	2085873	192681	165093	1761729	1164948	3254473	109030	196846	196200	83021	45588	52510	102894	76108	851387	881528
275.1734@7.676384	1	1	37590	1	1	1	1	1	1	1	1	26689	39917	1	15270	1	1	1	1	46199	1	91327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16112
C17 H18 Cl N2	6719	1	15198	2333	28668	13153	1	1	1	7625	21149	2724	28015	15038	18504	13985	6155	6870	8237	76958	48065	281390	17003	3249	17267	12188	1	20463	1	1	1	44779	1	16005	1820	1	8112
593.3322@7.6570454	1	1	48168	1	1	5097	1	103575	1	1	59821	14416	37828	21914	46293	1	47925	1	1	56387	1	132973	21128	1	1	1	1	1	30467	1	23381	5960	1	1	21307	1	1
657.3119@7.664868	1	1	32181	1	1	1	1	1	1	1	34172	1	1	1	1	1	1	1	1	34008	1	105368	1	1	1	1	1	1	8722	1256	1	1	1	1	14225	1	1
605.2961@7.675415	1	1	23784	1	49052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	114207	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-Methylene-L-glutamine	1	119943	700378	87417	271939	101341	115034	44271	135606	189446	1194335	82891	107649	63356	8055	68310	72185	31620	82694	4168095	118122	1451379	30700	167313	37314	208008	56597	79083	1	102449	64500	133931	49988	66014	61835	45168	1
437.2172@7.6887274	41613	1	7694	8089	52646	1	37496	77566	1	1	26284	1	11020	1	37639	19821	23630	53607	48782	30020	1	110482	4539	1	1	28406	55264	1	1	1	1	1	1	1	1	20749	20164
L-Methionine S-oxide + 7.688807	104918	44527	53854	109444	847805	37693	271943	237054	27781	46323	521561	38482	107370	114294	295512	147706	181059	358563	355481	1	27120	2004636	113849	31483	228310	365657	538415	21995	1	1	1	23561	1	34724	24494	87766	133543
137.095@7.6975284	1	19922	25330	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6950	1	42096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
131.0692@7.698	1	1	42256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
140.0585@7.70209	1	1	50882	1	38017	1	28676	1	1	1	31735	1	1	1	19187	1	13144	1	1	61593	1	75343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H23 N O5	192296	172709	427089	148463	435069	125290	217053	133193	184907	139290	286791	140761	199840	96846	129493	113301	139898	105620	74503	610135	172295	684805	57537	233708	95043	207576	234088	89054	136582	58022	81689	181328	82551	187828	73875	81434	106272
PS(14:1(9Z)/0:0)	193703	11346	46736	72123	200281	23270	152932	250456	6507	1	178038	11277	43604	41230	190600	84153	94727	224495	327929	115145	1	441560	29139	30647	192302	247123	562740	1	24185	14516	11705	6429	1	14220	10777	79982	109768
275.1367@7.721021	15232	7686	47637	10279	22729	8320	25002	8363	11399	13577	32868	5002	10622	9090	8253	4671	7783	6105	7400	78119	11950	54033	1	12961	4517	12573	9457	1	4030	5622	1	12113	3273	8534	7546	1	1
C8 H17 N O3	34806	112843	188261	47226	202690	87252	34171	1	92741	82128	143868	62566	74049	64157	102238	67538	87910	63168	49531	226953	43654	367038	47252	62519	61025	1	41942	53731	36875	1	61477	121638	40751	118027	1	1	86238
129.0426@7.740634	1	1	68167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27787	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
752.9648@7.718909	1	1	3337	1	1	1	1	1	1	1	1	1	1	1	1	1773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2511	1
C11 H21 N O5	34252	161081	271348	90698	343541	93237	38912	50203	101677	130061	240552	89703	76612	58186	35664	98410	134672	93745	35913	420757	57627	219960	46279	114994	100788	126729	172826	54633	43615	26281	59539	64334	75155	51805	36904	22642	35828
419.1701@7.719386	1	1	4531	1	1	1	1	1	1	1	1	1	3472	1	1	1	1	1	1	16560	1	26424	1	1	1	4146	1	1	1	1	1	1	1	1	1	1	1
317.1851@7.733579	1	1	11879	1	1	1	1	1	1	1	5675	1	1	1	1	1	1	1	1	1	1	10534	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
623.306@7.729	1	1	14888	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
187.1207@7.745295	1	1	83952	1	1	1	81266	1	1	1	1	1	1	1	1	1	1	1	1	72018	1	254498	1	1	1	1	1	1	1	1	1	47963	1	48470	1	1	1
399.1654@7.735736	18841	1	8553	1	21284	1	22122	36124	1	1	1	1	1	1	8778	5754	5947	16839	1	1	1	54193	1	1	1	12509	29645	1	1	1	1	1	1	1	1684	14005	10770
C30 H49 O10	506895	80420	438482	210492	855288	140631	461438	861772	25833	52213	880610	117144	366210	291593	656247	398389	839537	622653	766881	934764	26982	2311411	106944	78286	872062	753738	1424110	45740	179055	32919	157392	57320	27377	150118	111186	281915	382078
577.3184@7.73694	1	1	5796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27871	1	110437	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
393.7853@7.744	1	1	1644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
215.0558@7.740745	1	1	16053	1	22979	4054	8334	1	5409	1	10254	6245	6060	1	1	1	1	1	1	48318	2791	75872	1	1	1	6522	1	1	1	1	1	1	1	1	1	1	1
142.074@7.7497344	1	1	20451	1	1	1	1	1	1	1	57511	1	1	1	1	1	1	1	1	34280	1	37955	1	1	1	1	16277	1	1	1	1	1	1	1	1	1	1
172.0848@7.757964	1	1	17997	1	1	1	1	1	1	1	32575	1	1	1	1	1	1	1	1	56044	1	26884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
403.8122@7.766	1	1	2766	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
453.2119@7.810957	1	1	1592	10986	15890	1	1	22193	1	1	10060	1	1	1	1	1	1	10383	1	1	1	16782	1	1	1	16604	23150	1	1	1	1	1	1	1	1	7121	7973
C21 H31 O9	215499	1	35838	66814	124538	13271	143001	332846	12285	9140	99632	9563	41696	35482	174963	62079	63441	159256	375775	79926	3617	378956	21374	18289	379344	125003	394121	22727	23604	16850	9620	1	1	15830	11443	103067	102854
Trimethylamine + 7.8191104	1	11216	12875	1	16936	1	1	1	1	1	12978	1	7152	7019	1	8822	1	1	5468	25147	1	17175	1	9343	1	1	8056	1	1	1	1	10041	8793	1	1	1	5640
C8 H17 N O3 + 7.813616	1	23461	62421	1	46999	1	1	1	1	28573	34709	1	1	1	1	1	1	1	1	1	1	63506	1	1	1	1	22076	1	1	1	1	22325	1	1	1	1	1
Amiprilose	1	22376	41870	1	79473	1	1	1	10336	7197	30477	1	1	5479	1	8863	11934	1	1	178872	1	59204	1	8671	1	11168	1	1	1	1	1	7627	1	1	1	1	1
Acetoacetic acid	7468	20631	31829	1	30825	16461	10792	1	16135	1	23563	13751	11266	13257	12018	15492	17934	14299	11364	42004	1	30224	1	15159	12885	16629	12758	1	1	6127	9851	15366	1	13557	1	1	9156
C14 H11 N2 O2	4576	16080	20825	10746	27955	12001	10589	1	13200	13523	25983	11164	8427	12200	1	14742	15752	12172	9894	1	10122	29590	1	14542	10642	1	11809	5954	5548	1	1	12180	10212	13024	4981	1	8661
C7 H15 N O3	2.04E+07	4.64E+07	5.22E+07	3.58E+07	5.65E+07	3.67E+07	2.90E+07	1.93E+07	3.76E+07	3.41E+07	4.72E+07	3.42E+07	2.84E+07	3.11E+07	2.96E+07	3.57E+07	3.96E+07	3.04E+07	2.63E+07	6.66E+07	3.29E+07	5.30E+07	2.23E+07	3.60E+07	2.84E+07	3.72E+07	3.38E+07	2.44E+07	2.11E+07	1.62E+07	2.72E+07	3.62E+07	3.37E+07	3.49E+07	1.98E+07	1.85E+07	2.64E+07
C20 H29 O8	124230	1	45949	59319	171463	1	131979	200104	1	8092	125387	1	44568	36796	127205	57110	51958	120304	233795	1	1	222374	20080	29378	176903	144471	333145	11081	33314	9337	14156	1	1	12888	1	68482	93974
C11 H21 N O5 + 7.8318696	313422	78558	227288	513062	177851	92582	208281	100163	153017	86281	142859	486148	805194	40143	336482	64094	53117	33043	24674	445081	242891	1384460	33741	499749	65598	224406	123088	69201	275200	234781	47017	126734	222056	442401	24646	36333	303945
385.1498@7.806281	6866	1	15441	1	16226	1	1	1	1	1	1	1	1	1	1	1	1	23359	1	1	1	25166	1	1	1	8673	10662	1	1	1	1	1	1	1	1	18080	1
C22 H31 O3 S2	26644	1	28451	13701	55273	1	59299	81794	1	1	34893	1	24362	10014	32243	21928	27360	40967	36015	14592	1	84782	10945	1	18665	33498	46682	1	13962	3707	8852	1	1	1	1	31857	32523
413.1449@7.856848	1	1	8551	1	1	1	13680	16296	1	1	1	1	1	1	1	1	1	9954	1	1	1	20775	1	1	1	6512	12410	1	1	1	1	1	1	1	1	9077	11243
581.2237@7.939148	1	1	8864	1	7682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Piscerythramine	40418	1	30272	16106	53984	1	55432	60577	1	1	39973	1	21829	10858	23772	18798	5800	29863	30996	23893	1	93077	6809	1	15153	30766	43925	1	13774	1	1	1	1	1	1	1	27850
C15 H29 N6 O6 S	147259	1	33531	43911	195977	1	223537	272852	1	1	96971	7549	69348	52879	97070	87540	72052	116897	112488	76023	1	267581	38438	1	42014	93977	127666	1	42823	10607	11158	1	1	19714	20160	122776	86637
610.3332@7.952792	1	1	2213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14549	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H39 N3 O4 S2	26532	1	6868	31990	65695	17249	36449	32171	1	1	84809	1	18011	1	20207	26039	32716	27982	74403	15226	1	56043	9793	20248	48734	32694	62315	1	7252	1	1	1	1	1	3365	9224	21827
479.192@7.890396	17595	1	33057	5234	23938	1	28692	28571	1	1	23812	1	22205	1	1	1	16275	18871	12829	1	1	52278	1	1	1	19708	21347	1	5106	1	5606	1	1	1	1	12527	15058
265.1524@7.893908	1	9203	10001	1	1	1	1	1	1	14470	22200	1	1	1	1	1	9549	8998	1	68225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
211.0957@7.9009995	1	1	15980	1	8702	1	1	1	1	1	8588	1	1	1	1	1	1	1	1	20484	1	31688	1	1	1	1	1	1	1	1	5346	1	1	1	1	1	1
333.1781@7.900907	3143	1	3560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
483.1873@7.910163	1	1	16967	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15087	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
363.1689@7.933963	1	1	21589	1	81666	1	6442	1	8074	1	65271	8442	52994	1	1	1	1	1	1	1	13868	48190	1	1	1	1	1	1	18042	1	1	1	9300	1	1	1	1
C27 H41 S4	9791	1	32749	8985	49583	1	33297	33477	1	1	27929	1	28468	10340	17878	22076	21616	23689	15084	20446	1	122372	1	1	13139	22422	32347	1	8035	1	5277	1	1	1	5591	16838	24803
AK-toxin I	14534	1	8773	1	27689	1	13515	46443	1	1	21775	1	4169	3019	14516	10916	7205	23763	30216	1	1	74853	1	1	40529	17756	41094	1	1	1	1	1	1	1	1	7239	8670
395.1702@7.932486	1	1	5062	1	10973	1	1	1	1	1	1	1	1	2027	1	1	1	1	1	1	1	1	1	1	1	1	10100	1	1	1	1	1	1	1	1	1	11836
C19 H19 N7 O3	14231	1	24502	11641	56495	1	39275	32722	1	1	24812	4560	24815	1	24669	19438	20871	25648	10269	1	1	101526	10186	1	17729	23727	36383	1	7161	1	1	1	1	1	1	17572	25338
383.1343@7.940375	1	1	24256	1	40565	1	1	1	1	1	9844	1	1	1	7474	1	10989	1	1	1	1	75879	1	1	1	18880	20840	1	1	1	1	1	1	1	1	1	1
350.1736@7.9568853	1	1	7522	1	1	1	1	1	1	1	12059	7133	14315	1	1	1	1	1	1	1	7024	21651	1	1	1	1	1	1	1	1	1873	1	5494	1	1	1	1
C20 H25 O9	39182	1	25075	20822	1	1	78851	92419	1	1	49794	2404	24152	14682	29036	27802	25558	40026	46461	31164	1	99356	1	1	31477	38232	64220	1	1	1	1	1	1	1	1	35260	33647
465.1764@7.9728107	13694	1	38846	11675	32192	1	40364	35272	1	1	29548	1	26932	8584	1	13927	19058	21379	11785	17412	1	76640	1	1	1	33390	46616	1	7578	1	7688	1	1	1	9152	16576	29814
C18 H29 N3 O2 S2	1	4722	22235	23104	73721	1	48166	38157	1	1	42584	1	21271	13442	37336	18393	20413	33290	39672	31417	1	97370	9970	1	36990	42973	66324	1	10402	1	1	1	1	1	1	21675	32312
483.2226@7.9873667	60201	1	10804	1	28629	1	43241	96864	1	1	26959	1	1	1	44456	12813	1	53742	90472	15706	1	65482	5034	1	93922	38491	119325	1	6430	1	1	1	1	1	1	33910	31978
C17 H33 N3 O2 S3	1	1	26728	28486	165332	1	1	76926	1	1	49263	7291	50699	30019	1	48267	43138	72733	30842	1	1	259281	29909	1	29111	58899	79819	1	14837	6835	7637	1	1	12136	1	1	58106
C17 H31 N3 O8 S	135630	13509	281889	107290	491328	30205	305481	188343	1	13026	201795	46147	179352	72291	173634	166408	139990	213150	105674	139291	1	960086	73330	15805	92172	207176	277121	1	70077	38895	54059	24822	16493	64763	42572	1	265584
451.161@8.014229	1	1	24520	1	13742	1	12600	1	1	1	11585	1	1	1	4214	3610	1	1	1	1	1	53313	1	1	1	1	13280	1	1	1	1	1	1	1	1	1	12397
261.1211@8.051272	1	1	10276	8460	12182	3884	1	1	6507	1	5297	1	1	1	5621	4197	1	1	1	24027	1	13471	1	1	3164	1	4816	1	1	1	1	1	1	1	1	2708	6493
Novobiocic acid	9806	1	32290	1	57606	6089	59328	35596	1	1	46239	1	30393	1	24778	22525	23413	30720	21519	22757	1	130155	1	1	27454	34313	55108	1	1	1	6943	1	1	1	1	22436	32418
359.134@8.060961	30583	1	10400	1	29864	1	34312	55728	1	1	3934	1	1	1	23563	9924	7021	25287	14870	3423	1	42688	1	1	1	20514	39317	1	1	1	1	1	1	2026	1	19173	16961
Thr Phe Asp	194724	12370	116145	59776	197787	20089	281766	329505	1	1	166758	19142	102682	64179	125400	97262	103546	163220	160257	161522	1	415621	38064	18339	106670	157499	228992	1	57140	1	27985	11581	7014	31551	36574	130063	121693
195.1366@8.126203	1	1	105984	1	103889	1	1	1	1	1	92838	1	1	1	98812	1	1	75755	1	152176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H35 O3 S2	17905	1	7679	12574	26543	5289	18020	18846	1	1	22577	1	1	6182	18030	6375	13426	12962	43166	11239	1	42779	1	1	71713	19902	41897	1	3254	1	1	1	1	2876	1	9208	10312
369.1543@8.145372	27574	1	12865	1	38522	1	44493	40450	1	1	17408	1	1	6816	1	12894	13214	26774	24034	19151	1	79028	1	1	24135	28609	41230	1	1	1	1	1	1	1	1	21926	20272
419.1704@8.163052	1	1	7463	1	13635	1	1	1	1	1	6798	1	1	1	1	3862	4666	1	1	1	1	43594	1	1	1	7848	7734	1	1	1	1	1	1	1	1	1	7212
C11 H23 N6 O6 S	76150	11477	147475	64201	221572	21473	207725	138743	1	10119	153883	26982	139107	61023	107824	90979	98936	123214	80801	137231	4087	579923	45776	14385	103154	120350	188537	1	51158	29584	30604	16674	9582	39399	24325	94892	124618
541.1924@8.202197	1	1	22316	1	12143	1	9996	1	1	1	1	1	1	1	1	1	5710	1	1	1	1	24503	1	1	1	1	5968	1	1	1	1	1	1	1	1	1	1
L-isoleucyl-L-proline	1	293090	318475	287589	1	206478	165683	76632	222436	168942	692483	89582	84534	1	79950	137036	1	68538	46423	1019256	87568	568345	1	116626	102917	117179	67476	153398	104398	18441	114858	123975	79760	376396	114685	119040	122800
C15 H24 Cl N8 O2	18933	1	17384	8389	27371	1	36860	42900	1	1	22507	1	12968	5944	14453	13218	14854	17892	25025	30855	1	84068	1	1	18035	11645	17309	1	8165	2363	1	1	1	1	1	19298	14782
C20 H27 O9	385353	1	264446	118879	508050	29620	466752	506666	1	16690	268032	38233	168451	89063	194407	164690	175383	275254	265058	338838	1	1224325	67053	23489	135098	309169	357712	10182	98452	37221	47649	17460	1	64415	73020	271021	242004
216.1474@8.275755	1	1	11193	1	15182	1	1	1	1	1	14639	1	1	4260	1	3800	1	1	1	32901	1	19701	1	1	1	1	1	2108	1	1	1	1	1	1	1	1	1
C23 H33 O5 S2	24031	1	58266	22868	119939	1	78995	48062	1	1	57514	5768	53407	22371	38016	34534	41697	48637	37180	68279	1	340453	16200	3788	28490	50932	77197	1	15985	1	1	1	1	13259	6105	35099	49108
369.1548@8.278993	1	1	20557	7808	27676	1	23437	14540	1	1	19480	1	15928	1	12529	13154	1	12939	1	19448	1	131815	1	1	16063	12687	20757	1	1	1	1	1	1	1	1	1	16632
C17 H23 O8	714225	53824	263064	253256	1042279	70956	1026766	1177701	1	32911	552429	59658	288909	175648	479135	343771	300546	548084	693368	589095	23429	1669341	154072	79045	439786	586483	993267	30223	179758	44130	68446	38607	35684	82691	82763	503097	405489
Aureothin	155256	1	366812	125491	658786	29186	362511	236038	1	19553	290130	50125	285562	95900	197998	159716	175472	284864	124047	344481	1	1885204	91335	19388	119818	286289	357030	11724	82367	32637	56568	29383	15292	98788	48065	174603	260052
(+)-Adlumine	1	1	10066	1	28444	1	27407	32635	1	1	20993	1	11822	1	10930	10588	9617	16853	15697	20899	1	1	1	1	11803	10650	25518	1	1	1	1	1	1	1	1	13395	1
501.1973@8.357112	66630	1	28191	1	58445	1	50260	108116	1	1	1	1	1	1	43484	1	10542	60642	14115	1	1	146890	4320	1	1	58542	73900	1	1	1	1	1	1	4949	7289	5268	38761
C6 H15 N5 O	13916	1	46533	16223	43133	15008	24520	16667	13489	1	26161	22167	19118	12455	12842	12001	11832	1	15535	42568	15669	77685	10324	14353	1	1	17892	13154	1	32227	14059	26204	18263	16040	11632	11512	13643
C17 H23 O9	105596	6043	57727	39255	168053	1	170374	232983	1	4963	88212	1	51003	36391	66563	57241	59540	65362	140626	151812	1	388161	20539	1	89867	90812	137721	1	33322	1	11443	6084	5830	16175	15492	72214	60724
1-Aminocyclohexanecarboxylic acid + 8.401059	1	69413	140246	60692	105364	45752	52319	27692	55885	58747	80054	80340	68821	26315	49564	28484	42345	29133	1	152814	55498	190458	28979	68278	1	45423	49158	32425	33943	41620	27527	58317	49914	46376	23264	1	37947
294.159@8.403537	1	1	27369	1	26996	1	81471	86515	1	1	16357	1	1	11183	24389	20732	1	50970	17682	1	1	56989	1	1	1	26575	36066	1	1	1	1	1	1	1	15771	46469	36253
C16 H21 O8	259471	40747	353557	258852	1175074	68639	683298	445453	22808	29328	479421	68682	358821	172341	431083	278915	257016	405384	343146	557591	17988	2198171	176195	58736	388562	532082	826881	28835	151459	1	73113	57222	37453	90659	57304	319057	384633
L-isoleucyl-L-proline + 8.420621	115331	408923	531420	299533	444026	283988	242599	87829	325822	241505	810616	129308	178070	191949	57177	140435	166032	103956	96447	1343912	130009	690093	1	181475	103245	187742	118930	232512	97531	40102	151991	224883	140524	597664	121757	153660	210468
487.1815@8.412524	5105	1	18941	1	35723	1	15747	20912	1	1	1	1	1	1	21711	1	1	20140	1	1	1	109058	1	1	1	17877	33638	1	1	1	1	1	1	1	1	12809	15567
369.1188@8.448504	1	1	5579	1	1	1	1	10331	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8104	1	1	1	1	1	1	1	1	1	1	1
369.154@8.442224	1	1	7778	1	12144	1	1	1	1	1	5822	1	1	1	1	1	5384	1	3898	8042	1	52961	1	1	5633	1	8368	1	1	1	1	1	1	1	1	1	1
393.1551@8.445452	13719	1	11259	1	15097	1	16782	1	1	1	10055	1	1	1	1	1	5708	1	7731	13607	1	44204	1	1	4387	10406	10663	1	1	1	1	1	1	1	1	9787	8512
483.1867@8.491454	21141	1	21254	23910	82268	1	59971	49532	1	1	54020	1	32595	1	24647	21840	22913	1	42594	76369	1	151460	11146	1	24475	41817	44859	1	18511	1	1	1	1	1	8278	31079	24137
C22 H21 N14	18346	1	3047	3569	1	1	12608	30329	1	1	10553	1	1	1	15980	4993	7293	14445	54872	9084	1	36190	1	1	62699	10691	43781	1	1	1	1	1	1	1	1	7645	9846
C18 H37 N3 O4 S3	10227	1	17581	18105	134417	1	37916	38505	1	1	27240	1	24987	1	43822	18729	15399	23789	26575	59648	1	186293	8122	1	31738	35625	51478	1	9665	1	1	1	1	1	1	16744	19175
Pirbuterol	52413	1	171729	1	206711	112403	128038	1	1	45033	198213	116618	116374	93872	68340	66606	65101	36377	45299	389784	1	367849	37731	1	57804	59519	85227	81561	36923	29301	70085	1	38979	90727	1	14259	65906
C16 H21 O9	32063	1	48215	32185	133632	1	87597	62337	1	1	62171	7673	48338	21305	56686	35135	37562	45757	48258	93798	1	386628	19097	4909	64774	59160	94568	1	18417	10123	7499	4692	3691	10688	1	37829	26472
379.1388@8.534253	1	1	20600	3899	26804	1	17523	9104	1	1	12091	1	12734	1	1	1	1	1	1	15573	1	93416	1	1	5329	9467	12724	1	1	1	1	1	1	1	1	1	12648
274.1529@8.562133	1	8551	5573	1	1	1	1	1	1	1	6789	1	1	1	1	1	1	1	1	18892	1	6393	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide	34367	1	19348	1	98212	1	92259	111955	1	1	36866	1	17837	1	33443	28214	25894	42773	63068	1	1	218177	1	1	33281	40775	66024	1	1	1683	1	1	1	1	1	37099	31495
C20 H27 O10	65373	1	48708	19793	77659	1	102417	110975	1	1	61150	1	38700	22642	31191	33870	33738	55508	68045	111956	1	279054	10620	1	30876	56484	83241	1	18858	7869	10090	1	1	9825	13338	57267	45171
C23 H33 O6 S2	1	1	27945	21314	80742	1	51615	1	1	1	40167	1	30623	14543	24697	20809	20101	19649	17374	50020	1	166458	13646	1	23529	33196	42423	1	9757	4182	1	1	1	7019	1	17087	17926
88.1003@8.622852	1	1	20916	1	1	1	1	1	1	1	1	1	1	1	7348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
403.1671@8.659815	1	1	9669	1	11058	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22587	1	222326	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.1341@8.660931	7858	1	9104	1	65485	1	1	32619	1	1	21143	1	1	1	24338	12647	1	25087	17974	35769	1	181860	1	1	19252	30569	46639	1	1	1	1	1	1	1	1	1	22307
L-Arginine	1	415395	747780	179240	557933	275542	204309	72479	436087	634974	1349740	411921	392860	184056	126763	169638	154748	200957	139375	6004181	204558	3732780	83138	248689	79991	284484	182625	196216	1	111658	172073	190733	229600	144126	129060	98264	92171
Noscapine	3949	1	51215	15206	86695	1	1	9786	1	1	48950	1	30559	16888	22620	1	28960	34513	27564	84841	1	332000	12142	1	1	34492	56986	1	1	1	4450	1	1	8602	1	26334	34171
C10 H18 N4	35243	48341	34257	39738	37383	39579	37860	35090	35009	32911	32849	33518	33572	33678	31226	32485	31661	35359	30630	32425	34728	35224	33220	32753	30553	32763	29337	31104	32288	33756	29287	32533	1	32473	32927	33985	37021
C20 H29 O10	97915	1	21339	1	159872	1	133191	202259	1	1	72805	1	31974	1	113398	45129	33203	80935	86826	128387	1	354374	19300	6951	64906	71669	140358	1	20408	1	1	1	1	1	1	55024	49000
437.1805@8.860454	1	1	2519	1	12754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24125	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Val Ile	1	1	15704	5646	11291	10467	1	1	6896	7869	17201	3441	4874	5108	1	2887	1	1	1	33919	1	22506	1	5484	1	5444	3107	6384	1	1	3975	4942	1	1	1	1	1
C22 H35 N3 O5 S2	21638	1	21444	10281	74116	1	33600	28581	1	1	32229	1	1	2280	19589	15648	20529	18577	24451	52372	1	27747	1	1	22862	34389	50656	1	6589	1	1	1	1	1	1	13373	12208
Arg-OEt	90758	124392	337283	120320	233469	105528	201587	48948	152035	198159	731646	210743	280975	78387	64386	73164	64629	92483	61723	2902023	152515	2156620	1	157306	34227	122761	52072	68345	30245	59401	70037	104032	87937	101662	65809	54315	45352
471.1863@8.920616	1	1	18173	9402	85666	1	36617	10994	1	1	16606	1	21241	1	19590	9799	17213	15089	1	80116	1	367065	1	1	1	28593	38788	1	1	1	1	1	1	3347	1	8572	11676
129.079@8.977807	1	1	333286	111746	1	1	214775	1	1	274256	778960	224377	319917	1	1	1	1	153693	1	4517964	1	2096948	1	1	1	1	1	110060	1	1	1	1	1	1	146641	1	1
485.2023@8.946024	1	1	4736	1	21860	1	1	13617	1	1	14166	1	1	10570	1	1	1	1	1	83450	1	146470	1	1	1	1	13295	1	1	1	1	1	1	1	1	1	1
Nitrilacarb	22086	44527	184055	23188	255048	32559	1	1	23778	50882	93297	34100	34676	33507	63108	30260	31879	47325	49877	1066121	30669	1634114	22190	30862	19489	47489	35455	22061	10342	1	18509	80228	14676	23213	1	1	22868
153.1263@9.018139	1	1	11927	1	14033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66911	1	92922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ne-Methyl-L-lysine	1	34043	72717	1	60769	1	1	1	56299	61573	1	1	64187	1	1	1	1	1	1	567134	1	446406	1	52962	1	1	1	1	1	1	1	53739	1	1	1	1	1
N1-Acetylspermidine + 9.039678	80594	92599	163154	52079	113997	77592	135161	50312	141507	109405	171365	140988	106775	83164	53539	59116	58038	72902	45598	494091	79537	430284	43257	75548	34652	42928	24966	63183	32346	36408	73272	66644	42223	70850	44215	47887	31193
C7 H18 N2 O	209284	333094	255896	506573	251415	249339	259880	257199	258274	248949	227078	235419	249638	250887	237668	235653	249339	233912	240549	1	230866	270192	239020	245388	229769	234983	248574	234130	214003	233377	230764	232809	219691	226782	225913	220169	221650
Xamoterol + 9.089115	1	12253	26536	23081	15773	3986	1	1	11334	1	28983	1	1	1	2082	1	1	1	1	72179	1	33105	1	1	1	1	1	1	1	5887	1	13877	1	20979	3633	1	5324
166.1215@9.100229	20683	1	25056	1	1	27127	21612	19560	20131	20456	24140	1	1	23672	19607	1	18680	19671	1	1	1	21849	15919	19208	23672	21461	1	17327	22362	18866	22315	1	1	18969	1	1	18988
282.1027@9.106885	1	8247	7440	1	14088	1	1	1	1	1	1	1	1	1	1	1	2159	1	1	61132	1	41341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H17 N5 O S3	1	24126	31120	1	53281	1	1	1	1	1	23160	1	3082	1	1	1	1	1	1	169093	1	147081	1	1	1	1	1	1	1	1	1	8049	1	1	1	1	1
5-Methylcytidine + 9.106024	688490	3890091	4136263	629424	6384616	1260448	1516312	1290736	2180657	1264535	3289592	1435501	1392560	1023117	1307385	965412	1228878	1292502	1085147	4.30E+07	475767	2.65E+07	565910	799195	959313	1098137	1597884	1144503	1140066	716373	906403	2100730	1009499	1301947	780137	919719	901057
514.205@9.116129	1	1	169735	1	1	1	1	1	1	1	106728	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Asn-Abu-OH	1	14248	14031	1	32585	3817	4270	1	7474	1	12689	1	4133	1	3793	1	1	3899	1	73157	1	61746	1	1	1	3391	5977	3887	3297	1	2713	7375	1	1	1	1	1
220.0113@9.11466	1	1	4484	1	9824	1	1	1	1	1	3575	1	1	1	1	1	1	1	1	30902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H13 N O + 9.106265	71673	309917	305767	64736	405355	130001	144362	126471	201210	122111	240445	144269	133924	109867	134897	108915	106824	123965	107165	732418	55081	639041	72147	81529	97662	112722	154217	116067	127128	85011	103748	200942	107915	134632	81840	102657	100139
C20 H13 N O	4776	34714	36431	4664	57240	10363	11135	1	17079	8737	25832	10418	1	1	11680	7209	8837	8186	1	288225	3208	182044	3660	6133	7288	8859	11548	8628	9665	4607	5777	14095	1	9692	6555	6306	6055
337.0444@9.121	1	1	3950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
439.1712@9.229519	1	1	4823	1	21670	1	3675	1	1	1	1	1	1	1	1	1	1	1	1	11834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H13 N O + 9.280245	1	202607	160990	223661	162856	146948	161508	152820	165669	158640	146079	1	139551	150782	139399	132824	134191	133763	136458	132426	139185	146204	141655	149137	133632	139928	140950	138703	135714	133947	149823	143705	135158	153141	138436	155275	158758
C8 H20 N2 O	5557855	6918263	5653589	8218753	5214873	5465540	5571572	5482119	5562773	5564462	5325571	5438808	5378701	5336374	5043843	5056079	5394930	5197750	5271963	5288967	4939160	5278683	5356021	5225384	5143367	5084107	5169407	5112258	5168007	5019302	5111569	5172732	5050969	5008461	4897269	4895649	5106498
D-2-Amino-hexano-6-lactam	1	1	569930	641363	554135	1	614070	520252	1	528205	1	546830	530611	483116	504362	490206	511539	498213	1	1	493150	566390	1	507406	1	1	519356	1	519985	1	540392	1	536786	517955	513988	1	1
C7 H18 N2 O2	45751	60812	52143	86131	56294	42568	41262	44023	44016	43050	42278	47095	47513	44874	41847	45194	44232	48993	42954	38992	40594	45176	47216	41657	41032	44055	40620	39172	40188	44964	43416	42426	45999	39335	38619	38679	42390
7,8-Diaminononanoate	43006	109113	243231	102799	146304	69734	94600	35528	95654	124144	238758	63587	93531	72439	71281	46812	56102	67893	43777	755522	73165	669609	24976	71953	33089	121891	70780	50798	1	62082	52099	62153	52140	81864	36029	25995	35288
C8 H20 N2 O2	670439	819376	677879	965498	637887	696086	645639	647182	618526	642503	635309	593132	611049	622450	640164	623344	627913	556443	595836	626657	582265	611866	630937	558396	620580	558234	605066	597873	610429	605709	567419	567365	611871	603270	618668	561259	564553
C9 H14 N4	1	25937	72082	68876	33873	1	13867	1	26361	1	68938	28319	27898	1	14213	1	1	1	10751	206680	25917	129165	1	1	1	27543	1	1	1	1	1	23666	1	62496	1	1	1
184.1215@10.612499	1	1	13675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26343	1	24279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H20 N2 O3	162775	216218	171029	218585	190235	173556	180781	164578	181125	168796	168182	174953	173164	172488	173273	122923	164878	155023	161572	167287	178755	165243	159874	165575	156891	165819	160445	152097	162950	155913	159986	159891	166848	160371	167867	160475	158927
205.1453@11.311016	1	1	12135	3240	7762	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18939	1	25387	1	1	1	1	4845	1	1	1	1	1	1	1	1	1	1
274.0844@0.72528106	1	1	1	5019	1	1	1	1	1	1	1	1	1	1	1	4547	1	1	1	1	1	1	1	4391	5963	6440	1	1	1	1	1	1	11171	1	1	1	1
354.0404@0.7261141	1	1	1	13126	1	1	1	1	1	1	1	1	1	1	1	16759	1	1	1	1	1	1	1	16245	23113	21555	1	1	1	1	1	1	46805	1	1	1	1
1423.3789@0.7527907	1	1	1	8272	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.7803@0.75311327	3330	1	1	5586	1	1	1	1	1	1	1	1	1	1	1	1	1	7983	1	1	1	1	1	1	4649	1	1	1	4919	1	1	1	1	1	9951	1	1
205.0409@0.7963179	1	19203	1	11060	1	1	1	1	1	16975	1	1	1	1	54056	12563	20871	1	10922	1	1	1	1	1	1	24379	1	1	1	1	1	1	1	133525	1	1	57223
231.9787@0.79790866	14730	2953	1	14906	1	1	1	1	1	1	1	1	1	1	26732	3631	1	1	4859	1	1	4138	5008	1	1	1	1	1	1	1	1	1	1	16662	6142	1	1
374.2093@0.81476605	1	1	1	8753	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
360.1945@0.8177649	1	1	1	7147	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
369.2536@0.81876445	1	1	1	10161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
275.2818@0.819764	1	1	1	4136	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
355.239@0.83730763	1	1	1	9348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
341.2233@0.8217632	1	1	1	8262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H9 N O4 S3	1	1	1	19432	1	1	1	1	1	1	1	14385	8183	1	1	1	1	1	1	1	8110	1	1	6320	1	1	17017	1	1	2433	1	1	1	1	1	1	1
327.2072@0.82776076	1	1	1	8462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
396.2543@0.83775663	1	1	1	41484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
316.2974@0.83775663	1	1	1	32910	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
440.2228@0.8019272	1	1	1	4229	1	1	1	1	1	1	1	14373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
382.2384@0.841755	1	1	1	31127	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
302.2819@0.84275454	1	1	1	34223	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
368.2227@0.8437541	1	1	1	12104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
426.2026@0.8467529	1	1	1	3490	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
288.2662@0.8467529	1	1	1	30906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
477.161@0.8507512	1	1	1	3274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
274.2507@0.8685777	1	13330	1	25514	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
354.2084@0.87007654	1	16613	1	20856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
456.1225@0.8667444	1	1	1	4029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
391.3661@0.8777398	1	1	1	8414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
462.2624@0.87873936	1	1	1	38398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
471.3227@0.87873936	1	1	1	5510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
444.1216@0.87973887	1	1	1	6325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
335.9627@0.88354564	1	1	1	2503	1	1	1	1	1	1	1	1	1	1	3278	1	1	4219	1	1	3034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
457.3072@0.8808576	1	1	1	73981	1	1	1	1	1	7873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
360.3234@0.88173807	1	1	1	71338	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
443.2911@0.89421016	1	5385	1	64992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3950	1	5067	1	1606	1	1	1	1	1	1	1
346.3078@0.8867359	1	1	1	71550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
448.2464@0.8867359	1	1	1	32199	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
332.2922@0.88973457	1	1	1	62342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
429.2755@0.88967365	1	1	1	49850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3711	1	1	1	1	1	1	1	1	1	1	1	1	1
434.2311@0.8927333	1	1	1	21673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Undecylprodigiosin	1	29465	1	46243	1	8329	1	1	1	7564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9940	1	4743	1	1	1	1	1	1	1	1	1
318.2767@0.91219157	1	41113	1	68061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17232	1	1	1	1	1	1	1	1	1	1	1
420.2157@0.9125251	1	11396	1	33851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4810	1	1	1	1	1	1	1	1	1	1	1
C9 H6 N3 O6 S	1	1	1	31535	1	30748	1	1	22134	58745	67820	43619	29771	39687	20136	18541	66163	35331	32981	66222	28326	1	1	37211	16067	50692	35146	37170	23301	1	19503	1	30760	25394	1	1	32069
3-Hydroxy-4-methoxyphenylacetic acid	1	69145	1	48471	1	53368	1	1	39405	88263	104358	41878	46862	43698	27939	26301	107043	51745	44318	115548	29826	1	15604	49684	1	66727	55287	72549	33878	1	25031	1	36277	37626	1	1	43275
515.3492@0.93471485	1	1	1	5926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
404.3498@0.9387131	1	1	1	56266	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
506.2886@0.9397126	1	1	1	54049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
501.3336@0.9356647	1	1	1	92863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4112	1	1	1	1	1	2999	1	2895	1	1	1	1	1	1	1	1	1
492.2727@0.94508135	1	1	1	49491	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
390.3341@0.9467095	1	1	1	62659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
487.3171@0.9484546	1	4900	1	88355	1	1	4389	1	1	5865	1	1	1	1	1	1	1	1	1	2882	1	2243	1	1	2072	1	1	4127	1	1	1	1	1	1	1	1	1
376.3186@0.9497081	1	1	1	13767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
478.2574@0.9497081	1	1	1	36771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
155.9469@0.9507076	1	1	1	8716	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
473.3015@1.0057187	1	1	1	64434	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16877	1	1	1	1	1	1	1	1	1
393.3436@0.9967061	1	1	1	68896	1	1	1	1	1	1	1	29845	19464	10785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
362.3027@0.956705	1	1	1	76104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
372.1949@0.9637018	1	1	1	9223	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
517.1828@0.9677617	1	1	1	2456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3293	1	1	1	1	1	1
348.1739@0.97625864	1	1	1	19723	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19054	1	1	1	1	1	1
503.1672@0.97885484	1	1	1	3770	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3114	1	1	1	2545	1	1	1	3503	1	1	1668	6042	1	1	1	1	1	1
470.3585@1.0871127	1	1	1	17421	1	1	14573	1	1	1	1	1	1	1	1	1	1	27750	1	1	1	6752	1	1	1	1	9461	1	1	1	1	1	1	1	1	1	1
545.3605@0.9946875	1	1	1	48735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
465.4023@0.9966866	1	1	1	55006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1015.7498@1.0001254	1	1	1	4905	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52935	1	1	1	1	1	1	1
456.3418@1.040126	1	1	1	14735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9174
949.7299@0.99868566	1	1	1	27210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1007.7399@0.99968517	1	1	1	16481	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
953.7564@1.0331495	4331	1	1	40409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
925.734@0.99968517	1	1	1	24383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
955.7292@0.99968517	1	1	1	12507	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
981.7296@0.99968517	1	1	1	8279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
961.7551@1.0116173	1	1	1	11181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6194	1	1	1	1	1	1	1
451.3868@1.0006847	1	1	1	31106	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.3438@1.0714883	26151	13794	1	34793	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1131.2898@1.0119102	11509	1	1	150913	1	1	13061	1	1	1	1	103635	8890	37399	1	1	7982	1	1	1	9311	1	1	1	1	8710	6173	1	31666	1	10593	137086	1	10158	1	1	4495
930.7686@1.0026838	1	1	1	11411	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1036.2622@1.0026838	1	1	1	5017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1224.3333@1.0046886	1	1	1	24578	1	1	1	1	1	1	1	21158	1	1	1	1	1	1	1	1	1	1	1	8186	1	9901	1	1	1	5467	27746	1	1	1	1	1	1
994.7799@1.0136161	1	1	1	2957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	106851	1	1	1	1	1	1	1
1057.2714@1.0036191	1	151241	1	180455	1	1	1	1	1	1	1	1	1	1	13411	1	1	1	1	1	90722	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
915.7311@1.0090436	1	1	1	24095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	103531	1	1	1	8546	1	1	1
1003.2763@1.0049995	1	1	1	12722	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4053	1	1	13570	1	1	1	1	1
1041.2565@1.0038918	1	1	1	4901	1	8465	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
899.7193@1.0026838	1	1	1	44332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
944.7656@1.0176271	1	1	1	7992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3649	1	1	1	1	1	1	1	1	1	175367	1	1	1	1	1	1	1
962.2451@1.0053892	1	1	1	1875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7700	6389	1	1	1	1	1
891.7308@1.0189805	1	9121	1	20945	1	1	1	1	5341	1	1	15714	1	1	1	1	1	1	1	1	1	1	1	9862	1	1	1	1	1	1	1	1	1	1	1	1	1
909.737@1.00912	1	1	1	7443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47481	1	1	1	1	1	1	1
1060.2605@1.0056825	1	1	1	4475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
904.7548@1.0056825	1	1	1	20755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
437.3709@1.0066819	1	1	1	25521	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.251@1.0116787	9676	8583	1	11618	1	13956	10233	1	10935	1	1	6448	7144	1	7169	1	6810	10300	1	1	6930	1	1	6132	1	1	1	1	1	1732	9208	1	1	1	10493	1	1
517.3283@1.0086809	1	1	1	16873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
885.7387@1.0086809	1	1	1	5925	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
893.2164@1.0094563	13294	12605	1	16461	1	27871	1	1	1	10759	1	1	1	10242	1	1	1	16592	1	1	12004	9812	1	1	1	15212	7571	1	1	1	5104	1	1	15308	1	1	7990
814.2064@1.0115706	1	6478	1	4775	1	1	6767	1	1	1	1	5943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7610	5023	1	1	1	1	1
896.2148@1.0092028	3668	4004	1	4049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
724.2214@1.0139351	1	1	1	5510	1	1	1	1	10520	1	6602	1	1	1	1	1	1	1	1	1	1	1	6340	1	1	3100	1	1	1	1	5260	1	1	1	5505	8967	1
817.2117@1.0144005	14940	1	1	32771	50230	46057	24785	1	42206	16109	31949	11777	13167	17147	1	2996	18748	32006	1	1	17671	16263	39267	11203	1	1	11026	1	1	1	17656	15136	48383	20095	16783	30952	11390
822.1958@1.0125339	1	1	1	9312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5945	1	1	1	1	1	1	1	1	1	1	1
859.7258@1.0171149	1	1	1	1726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11160	1	1	1	1	1	1	1
676.5453@1.0166154	1	1	1	2698	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21878	1	1	1	1	1	1	1
769.6369@1.0136787	1	1	1	1841	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1293.394@1.0362271	27327	1	1	194418	49867	105343	1	1	82834	74464	112975	1	45070	73677	40368	62312	70381	71045	1	88927	69376	57980	77974	23241	31360	44957	41403	65134	1	27212	78279	92651	45699	1	68124	67485	1
795.6164@1.0136787	1	1	1	2220	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
719.5751@1.0176148	1	1	1	4863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25935	1	1	1	1	1	1	1
781.2147@1.0150968	2998	1	1	34277	1	45080	1	1	1	1	1	1	1	1	1	1	1	22531	1	1	1	18443	1	1	1	1	1	1	1	8629	1	1	1	1	1	1	1
563.4222@1.0287167	1	14328	1	8524	150248	1	69626	1	1	1	1	1	1	12760	1	1	1	1	776344	1	1	7276	13201	1	1166148	25856	1	940186	1	1	29705	1	1	1	1	1	1
C25:4 Highly branched isoprenoid B	98446	1	1	19162	71324	6811	88227	76563	1	1	7981	1	23816	27459	81448	36459	6723	64275	77719	1	8454	35612	1	1	175755	81058	125811	1	23312	1	1	4206	1	17919	1	50468	9120
740.1873@1.0167451	1	7026	1	8809	1	5368	8330	1	1	1	1	8703	1	1	1	1	1	1464	1	1	1	1	1	1	1	6479	1	1	1	1	3391	6623	1	1	1	1	1
911.2431@1.0183613	30931	34374	1	41690	1	1	34559	1	1	1	1	1	27885	1	1	21946	27015	1	11669	7258	26069	1	1	1	1	1	1	9779	1	22909	1	1	1	39418	1	1	1
679.5838@1.0193329	8191	1	1	20641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11265	1	1	18224	1	1	1	1	1	1	1	1
892.2363@1.028245	1	1	1	3432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2842	1	1	1	1	1	1	19288	1	1	1	1
625.2083@1.019151	1	246572	1	35963	20899	1	40277	25705	116356	26698	15316	27784	20230	1	24206	1	1	26130	1	24387	1	1	16374	149978	1	39186	1	21751	22157	19962	40201	1	11874	26806	25150	1	26013
749.1691@1.0196759	1	1	1	1731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
423.355@1.0564332	1	60762	1	18733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
623.2002@1.0243299	1	1	1	2559	4377	1	1	6777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6289	1	1	1	1
C48 H66 N O4	3435	1	1	11046	13312	1	1	1	10837	1	1	1	7149	7874	9409	12645	9587	20531	1	1	9582	10256	6896	1	5407	16872	7661	9168	2656	1	1	9404	8072	9432	1	5581	1
428.0807@1.0282804	1	8479	1	13508	14739	9221	11969	1	9174	7131	1	8633	1	5748	1	1	4957	5964	2836	1	1	1	10427	4942	6433	15712	1	1	19786	1	9412	1	9395	5840	1	10666	1
503.3129@1.0246735	1	1	1	13965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
597.5322@1.0307115	1	1	1	36151	15671	1	29576	1	7339	1	26759	1	1	1	1	5004	1	1	1	1	1	15304	1	1	15250	29797	6681	1	20943	13516	1	1	1	1	1	8032	9646
585.5305@1.0270483	1	1	1	16919	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13023	1	1	1	16251	1	1	1	1	1	1	10437
721.5972@1.0236118	1	1	1	17376	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39032	1	1	1	1	1	1	1
678.5577@1.0243806	31109	1	1	38117	1	1	22981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
599.5456@1.0286716	1	1	1	7456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.5362@1.0290717	1	1	1	38299	1	1	1	12820	1	1	58486	1	1	1	1	27365	27710	1	1	67833	1	1	1	1	1	1	16769	1	1	36845	1	41127	1	80702	1	35772	1
524.1389@1.027306	3813	1	1	3002	1	3632	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4573	1	1	1	1	1	3904	1	1	1	1	1	1	1	1	3360	3999
C41 H78 Cl O2	1	1	1	18094	1	18882	43967	27266	1	1	62812	1	1	9284	1	1	1	40187	1	64388	27890	22183	13930	1	1	1	1	37356	25705	1	1	1	1	1	26035	23174	18170
545.5022@1.0314505	1	1	1	10885	1	1	1	1	3767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6883	1	1	1	1	1	1	1	1	1	1	1
517.4693@1.0326697	1	1	1	5224	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
651.5422@1.0308294	1	1	1	28591	21533	1	1	1	1	1	1	1	1	1	1	1	1	1	60045	6407	1	1	1	1	8143	7944	1	1	1	1	1	1	1	1	1	1	1
1287.4001@1.0381563	22279	1	1	31488	49766	1	1	1	88284	79249	121111	63062	44160	74965	43740	61537	68660	67660	193184	97748	66147	59547	81410	1	33474	42147	38659	1	24975	1	1	78167	40953	1	69586	68255	1
1289.3982@1.0380609	28407	1	1	41751	67206	1	1	106689	113911	108014	158532	80894	58689	99089	54167	78809	86711	91869	1	120792	86962	75504	104114	1	43936	55591	51887	90892	33540	1	84416	104129	53916	1	93857	86695	1
C29 H63 N10 O2	1	1	1	8476	15417	4787	1	1	1	9259	1	1	1	1	1	3595	1	1	6690	9094	1	3114	1	5664	1	1	9203	7645	1	2395	1	1	1	7034	1	1	3423
578.5271@1.0287108	1	1	1	8812	2389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2659	1	1	1	1	15120	1	1	1	1	1	1	1
1291.3958@1.0383133	28647	1	1	41699	64380	1	48737	1	114513	106442	158328	83144	57059	99612	50896	78058	85106	86579	1	122491	85839	72140	103636	1	43125	52938	51357	88400	58270	1	82475	101637	50452	1	90354	84525	1
557.4819@1.0356683	1	1	1	4923	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
617.5587@1.0360355	1	1	1	20470	1	1	1	1	9745	1	1	1	3530	5669	1	1	1	1	7730	1	3044	1	5861	1	1	3455	20159	8143	1	1	1	1	1	6816	1	17412	1
643.5689@1.0356563	1	1	1	6512	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
418.3077@1.0339626	1	36166	1	60984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
752.2774@1.036253	3853	1	1	2862	1	4698	1	3503	1	1	4724	1	4551	1	3900	4462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
662.5662@1.0260518	1	1	1	29174	39896	8118	1	1	1	1	10619	14440	1	1	1	12269	1	20489	17852	13385	1	5106	1	1	1	12229	1	8986	1	179029	1	4239	1	1	4236	1	10400
589.5416@1.0809193	1	1	1	12755	1	1	1	1	10094	1	3657	1	5151	1	1	1	1	4340	1	4154	1	1	1	1	1	7651	1	1	1	1	1	1	1	1833	4472	1	1
247.0518@1.0376405	5418	1	1	6559	1	1	4566	1	1	1	1	1	1	1	1	1	1	1	3959	1	1	1	1	1	1	5757	4161	5159	1	1	1	3656	1	1	1	1	1
697.5988@1.0476229	29756	1	1	44185	1	1	1	1	1	1	1	1	1	1	18792	1	1	1	1	1	1	1	1898	1	15717	1	15526	1	1	1	1	1	1	1	1	1	1
673.6171@1.0446639	1	1	1	5080	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
887.7564@1.0554392	1	1	1	16083	32015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
667.5361@1.0517989	97624	16626	1	22019	1	1	41398	30887	7808	1	1	1	1	1	43603	1	1	15187	19410	23433	1	16987	1	1	31582	48979	17755	1	1	1	1	1	1	1	1	16430	16403
112.1251@1.0459801	1	1	1	4567	5620	4565	1	1	1	4031	2424	1	1	1	1	4227	1	1	1	1	1	1	1	5104	1	1	5224	1	4013	1	1	1	1	1	1	1	1
555.4167@1.0571725	1	1	1	4211	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54834	1	1	1	9183	1	1	1	1	1	1	1
519.4432@1.0476625	1	1	1	7927	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
419.3236@1.0522012	80424	63293	1	35754	55753	1	53327	29804	1	1	1	1	1	40494	53378	1	31876	1	1	1	1	1	1	36872	1	1	1	1	1	11050	1	1	1	1	1	1	1
676.5996@1.0486621	1	1	1	4137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1607.7703@1.0487374	28688	1	1	55521	1	22974	87860	1	1	1	1	1	1	1	1	20864	1	1	22998	1	1	1	1	1	56050	1	1	1	1	311221	1	1	1	1	1	1	1
971.4738@1.0467886	411337	900295	1	144240	267915	1	304159	70218	1	1	90247	341587	386501	1	229502	1	1	1	166760	40395	204629	97111	39765	534083	285602	134529	207973	1	218317	436940	1	66949	1	1	1	1	1
465.123@1.0477227	9016	14427	1	7872	1	1	1	1	1	1	1	3410	1	1	1	1	1	4861	1	1	1	1	1	4194	7062	8059	1	14179	1	1	6557	1	1	1	1	10480	8176
818.2503@1.0518066	10349	13262	1	5798	1	1	5043	1	1	1	1	1	1	1	1	1800	1	1	1	1	1	1	1	10993	5747	4181	3115	1	1	1	1	1	1	1	1	1	1
971.9754@1.0477858	320306	761827	1	115263	221591	1	242082	56138	1	1	1	283220	308204	1	186861	1	1	1	138017	1	167397	84431	1	446654	228385	113375	161749	1	187821	352172	1	51540	1	1	1	1	1
148.0372@1.0497115	1	1	1	161050	1	1	1	1	1	1	1	1	1	1	1	75222	1	70519	1	1	1	1	1	1	1	194905	1	194281	296526	1	113228	125194	1	1	1	1	1
166.0483@1.0496981	1	12250	1	12659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9559	1	1	1	1	1	13406	1	1	13894	20529	1	1	1	1	1	1	1	6358
C31 H40 N4 O S3	1	18213	1	7457	1	6642	1	3386	12624	6136	1	11965	12272	1	8032	6977	1	10171	1	4971	12535	10293	7141	12069	6456	10738	1	9975	6657	12573	9679	1	1	1	1	1	1
447.382@1.058585	1	7359	1	5736	1	1	1	1	1	1	1	1	1	12088	1	5161	3491	1	1	1	2943	1	1	1	1	1	3861	6611	4981	1	3138	3582	1	8869	1	1	1
1290.1235@1.05094	223767	829315	1	97260	1	52903	169502	1	1	33743	1	158894	199464	1	1	61411	29534	31676	62965	1	1	1	1	308723	128904	70096	92635	1	121561	564158	73212	1	1	1	1	1	1
974.4542@1.049931	22426	58749	1	6715	1	1	10602	1	1	1	1	9897	15283	1	9346	1	1	1	1	1	1	1	1	27714	12026	1	1	1	13961	10462	1	1	1	1	1	1	1
885.746@1.0516607	1	1	1	2990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
681.6027@1.0549989	1	1	1	19374	1	1	3663	1	1	1	1	1	1	1	9694	1	1	1	1	1	1	1	1	1	13261	1	1	1	1	36857	1	1	1	1	1	2842	1
C30 H44 N4	102115	1	1	27953	25012	1	43528	35075	1	1	1	30899	1	1	1	1	1	1	1	1	1	1	1	1	35009	29459	41616	1	1	1	1	1	1	21555	1	44493	1
711.633@1.0559326	1	1	1	13127	7676	1	1	1	22557	1	1	4584	9553	1	1	1	1	1	1	1	2643	1	1	1	1	12571	1	1	1	66290	1	1	1	1	1911	5137	1
648.6017@1.0536597	1	1	1	27076	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
673.5812@1.0557487	1	1	1	14653	1	1	10537	1	1	1	1	2800	1	1	1	1	1	1	1	1	1	1	1	1	1	7750	1	1	1	1	1	1	1	1	1	1	1
701.616@1.0741286	2012	1	1	10226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
861.7404@1.054659	1	1	1	8452	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
505.4344@1.0594406	1	22913	1	22379	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
569.4381@1.0577765	1	1	1	7281	1	1	1	1	1	1	1	22644	1	1	1	1	1	1	1	1	46539	1	1	1	1	1	1	1	1	1	15045	1	1	1	1	1	20310
905.7661@1.043277	1891	1	1	7185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68343	1	1	1	1	1	1	1
723.5538@1.0566581	1	1	1	8384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
284.2348@1.0752865	1	1	1	70735	1	1	1	1	11650	1	1	1	1	1	1	1	1	3213	1	1	1	1	1	1	1	35569	1	1	1	1	1	1	1	1	1	1	1
970.7801@1.0480977	1	1	1	3303	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	149148	1	1	1	1	1	1	1
650.617@1.0586572	1	1	1	22134	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
356.2199@1.0610472	21383	14330	1	14228	1	1	19111	1	1	1	1	1	12261	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H49 N S2 + 1.0625335	20306	25456	1	9292	1	1	1	16117	1	1	1	28831	11409	1	12340	12002	1	11368	1	8575	12500	12338	1	1	18565	10308	15683	12661	12767	1	1	23413	14261	1	12827	1	1
358.3073@1.060006	6089	1	1	9033	1	1	8152	1	1	1	1	1	1	1	9806	1	1	1	1	1	1	1	1	1	1	1	11938	1	2803	1	1	1	1	1	1	1	1
619.5334@1.0412166	1	1	1	17704	1	1	1	1	1	1	1	1	1	1	2097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
465.4906@1.0606562	1	1	1	2851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
204.0795@1.0596842	10664	11817	1	12075	1	1	1	1	1	10611	1	1	1	1	1	1	1	1	16414	1	1	1	1	1	9439	15676	1	1	9934	1	1	13237	12845	15025	11066	1	10790
913.7636@1.0501375	1	1	1	13334	8183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14876	1	1	1	1	1	1	1
751.5798@1.0601642	28868	1	1	25390	15209	1	1	1	1	1	1	1	1	1	1	1	1	4558	1	1	1	1	1	1	1	1	1	1	1	33384	1	1	1	1	1	1	1
657.523@1.0640783	56453	1	1	19394	26435	27298	22828	1	13029	1	1	1	1	1	1	18742	1	17844	1	1	1	1	1	1	70747	19354	30501	23302	1	1	13468	1	1	1	24570	1	1
455.3935@1.0673673	1	1	1	9476	1	1	1	1	1	1	1	1	1	13779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
523.4435@1.0616558	1	1	1	25268	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
404.2559@1.0649345	13025	29899	1	31206	1	1	1	1	1	21569	1	1	1	8122	18330	1	1	1	1	1	15730	1	1	16168	1	1	1	1	1	1	1	1	1	1	1	1	1
796.6084@1.0626552	1	1	1	2490	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
310.1575@1.0625976	1	1	1	27075	1	1	1	1	1	1	49935	1	1	1	1	1	9498	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
869.7461@1.0689224	1	1	1	92921	1	41197	40707	1	62478	174982	1	1	11710	22483	1	14607	6116	7175	7279	30980	27839	1	17444	205351	1	6704	2818	21663	86372	1	1	1	25905	1	1	1	36386
739.6683@1.0637765	1	1	1	12875	1	1	1	1	1	1	1	1	11103	1	3769	1	1	1	1	1	1	1	1	1	9334	1	5836	1	1	1	1	4108	3645	1	1	5320	3677
709.5486@1.070221	1	1	1	26495	1	1	1	1	1	1	1	1	1	1	1	1	1	3264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
585.4383@1.0636548	1	1	1	18490	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
382.2481@1.0644407	1	9882	1	5792	1	1	1	1	1	1	1	1	1	7013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10908	1
907.7789@1.0629389	1	3985	1	41248	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
457.3749@1.0589293	1	1	1	14404	24876	29421	19310	14685	1	1	1	37068	14923	1	1	1	1	16615	1	22989	1	1	1	17808	23177	21066	1	1	13484	21313	1	1	1	34122	1	1	10770
685.5479@1.0663127	1	1	1	32070	1	1	1	1	1	14294	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
7a-Hydroxy-3-oxo-4-cholenoic acid	1	35571	1	24110	56767	51803	65237	1	8695	49238	36537	137206	94718	11015	1	18599	1	1	15625	18693	42843	1	87103	20641	64938	1	12774	32889	44523	1	22208	8335	20103	20601	28220	45733	145633
809.6327@1.0646544	1	1	1	7630	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
919.762@1.0623561	25637	120256	1	125810	55543	1	7342	1	79655	37650	1	168847	57286	1	1	1	15730	1	7354	1	1	16427	30991	176406	28487	1	1	50739	25621	1245944	1	1	43801	36749	28571	7000	1
671.5139@1.0802498	1	10328	1	21660	1	1	21259	18360	16925	9618	13243	1	1	1	1	1	1	1	1	1	1	1	1	1	71255	1	1	15489	1	1	1	12577	1	35286	11618	1	1
793.5963@1.0656538	1	1	1	15234	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
589.387@1.0656538	1	1	1	61437	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
389.3206@1.0656538	1	1	1	8151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
735.5684@1.092728	1	1	1	19333	11981	1	1	1	1	1	1	4021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2204	1	1	1
C50 H83 O S	1	1	1	21392	19662	1	18112	11623	1	1	1	1	1	3763	14457	1	5153	12175	12822	6310	1	1	1	1	19931	15238	14243	1	1	1	1	1	1	1	1	19255	1
575.3707@1.1067764	1	1	1	56988	1	1	1	1	22493	1	1	1	1	1	1	1	1	1	1	1	1	8431	1	1	38194	1	1	1	1	1	1	1	1	1	1	1	1
506.3591@1.0848455	34900	1	1	41895	11479	1	8485	1	1	1	1	1	1	1	1	1	1	12285	1	1	1	1	1	4502	1	1	9980	1	1	1	1	1	1	3892	11527	1	1
579.4111@1.0614994	37223	26825	1	23891	1	1	41184	11171	1	13298	1	1	1	19521	1	1	1	1	20280	38323	1	23813	1	1	1	1	18974	17912	1	1	1	18134	1	29410	1	1	1
753.6816@1.0684179	1372	1	1	10980	10377	1	1	1	1	1	4993	1	5213	1	1	1	1	1	1	5299	3574	1	1	1	6664	1	5090	1	1	1	1	1	1	1	1	1	1
500.3693@1.0998986	1	9341	1	33908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
725.5358@1.0429169	2522	1	1	10748	1	1	24349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16903	1	1	1	1	1	1	1
935.7583@1.0361505	8109	1	1	8792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
952.7377@1.0676528	1	1	1	7277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
508.3761@1.1115838	1	1	1	28808	1	28349	1	1	1	1	1	1	1	14363	1	40087	1	1	1	1	1	14049	1	1	11321	1	85627	1	1	1	32160	1	11461	1	1	18756	1
781.5972@1.0676528	1	1	1	9407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
588.4519@1.0716134	1	10541	1	54279	1	7014	1	1	1	1	1	1	1	1	48438	32633	47936	39894	58445	1	1	12280	1	1	1	1	24631	1	47057	1	1	1	1	23523	36470	61375	1
481.3977@1.0706795	1	1	1	131987	1	10344	1	1	1	1	12641	1	1	1	55768	1	11859	1	1	12443	1	1	15359	28066	1	1	1	1	1	1	1	1	1	1	1	1	1
445.3432@1.0709722	165382	1	1	22892	1	23377	1	1	27071	1	1	1	1	17900	49457	1	1	29159	29634	1	1	1	1	23607	1	93093	137606	25006	1	1	1	1	1	1	1	1	24567
566.3924@1.069652	1	1	1	3460	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3]	1	1	1	229289	1	76427	12471	1	1	67459	7827	169208	9681	1	1	26929	19306	1	1	1	1	23546	8218	36111	32606	1	1	13713	10942	1	1	1	1	67850	1	1	1
831.7296@1.075971	1	6249	1	10576	1	1	1	1	87150	1	1	1	6858	1	1	1	1	1	1	1	1	1	1	1	4377	8124	1	1	1	1	1	1	1	1	1	1	1
9E-heptadecenoic acid	59752	7079	1	7085	1	27758	1	1	1	1	1	1	4945	1	39372	1	17707	17162	5597	1	1	1	1	1	8793	17195	1	1	15254	1	3475	23174	4276	5852	1	1	4306
561.3558@1.0703112	1	1	1	41135	1	1	1	1	1	9073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
573.4274@1.0832868	1	1	1	50206	1	1	1	1	1	12367	10397	14609	29150	1	1	1	16857	1	1	1	1	1	1	9892	1	14370	1	1	1	12449	41994	1	1	1	1	1	1
789.682@1.069652	1	1	1	46043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
770.5899@1.0694332	1	1	1	14047	7450	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
443.3588@1.0627218	22744	1	1	23122	1	1	1	1	1	1	1	14446	1	6185	1	9598	1	1	10013	11094	1	1	6615	1	21539	15544	1	12396	1	1	1	1	1	1	12182	1	1
837.6585@1.042104	1	1	1	7249	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6055	1	1	1	1	1	1	1
777.683@1.0608368	1	1	1	35106	1	1	1	1	14971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4753	1	1	1	1	1	1	1
1127.3069@1.0710276	317644	356516	1	630295	2326898	2308103	483277	2111460	1870877	411594	1003802	309219	291149	284261	225674	233201	402021	506697	146122	130454	323420	223193	2465222	261390	175139	615887	251239	139635	36292	73648	343493	288109	1	364026	298541	519361	339497
807.6108@1.0716509	1	1	1	8745	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
853.5941@1.0716509	1	1	1	5929	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
578.4898@1.0751097	1	13397	1	14532	1	1	1	1	1	1	1	1	1	13612	1	1	1	1	1	1	1	1	1	1	27314	19500	14023	1	1	1	1	1	1	1	1	1	9599
734.5434@1.0933671	1	1	1	7854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3560	1	1	1	2913	1	1	1	1619	1	1	1	1	1	1	1	1	1	1
783.5686@1.0572656	1	1	1	71953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3178	22857	1	1	1	1	1	1	1
424.2981@1.069987	1	1	1	13449	21518	16700	1	11543	1	21004	12732	48039	1	1	1	1	26534	28085	1	1	19323	1	1	1	27501	1	1	1	1	1	1	19562	16304	1	25165	1	1
759.568@1.1682398	1	1	1	24645	1	1	1	1	1	1	1	20730	1	1	11149	16312	1	14291	16958	14170	15779	1	1	13058	17508	1	1	1	12467	17060	13774	17682	1	4600	27904	1	16447
547.3391@1.1074456	1	9605	1	48895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6800
467.3819@1.0789859	1	1	1	218344	1	1	1	22278	20417	25824	1	1	1	17825	21498	1	16527	1	33659	1	12961	1	19697	1	20843	87591	34196	1	1	1	14421	1	1	1	23344	1	28264
472.3378@1.0860409	1	7844	1	32309	1	7061	1	1	1	7455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12757	1	1	1	1	1	1	1	1	1	1	1
C33 H57 N4 O S	1	1	1	18999	28845	53932	1	1	16589	17026	16333	1	50480	23164	88647	20925	1	1	46874	1	34601	1	35045	1	45597	125821	29264	1	41496	1	20028	40603	17904	24834	59552	1	1
750.5521@1.0736499	1	1	1	48909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
829.6021@1.0736499	1	1	1	12656	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
365.3654@1.0732293	5379	9746	1	4966	1	1	1	1	1	7374	1	8225	1	1	1	1	4176	1	1	6047	7954	1	1	8339	1	4645	1	5988	1	1	7408	7558	1	6097	6772	1	1
574.2778@1.0736499	1	1	1	5354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PG(18:1(11Z)/18:1(9Z))	20044	1	1	14486	1	1	10836	9787	1	1	11637	1	1	1	10769	1	1	8553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12137	9808
664.5682@1.0772758	1	1	1	13942	1	1	3877	1	1	1	1	1	1	1925	1	1	1	1	1	1	1	1	1	1	1	1	5119	1	1	1	1	1	1	1	1	1	1
CE(20:4)	1	82096	1	46479	37245	75807	1	1	1	1	32184	24793	45616	21926	1	1	1	1	1	33601	33035	1	36866	27533	1	1	1	1	15644	44948	32746	34249	51444	1	61752	1	1
C37 H75 N O2 S2	54661	20183	1	27717	1	29202	25247	35711	27694	66224	1	39983	14181	18391	33839	14001	22325	32770	21514	1	19323	1	1	14979	37473	38692	29598	1	31723	1	14865	1	16911	45195	12211	1	1
799.5841@1.0754868	1	1	1	20887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3175	1	1	1	1	1	1	1	1	1	1	1
464.3119@1.0767657	53747	1	1	17024	1	1	14460	1	1	1	1	1	1	1	24305	1	1	1	21454	1	1	28441	1	1	1	47264	28002	1	1	1	1	1	1	1	1	1	1
349.2813@1.0716262	4653	6551	1	5192	1	7005	5901	1	1	1	1	1	1	5633	1	1	3034	1	1	1	1	5509	1	1	1	3293	1	1	1	1	1	1	1	1	1	1	1
790.545@1.0755138	1	1	1	12383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10029	1	1	1	1	1	1	1	1	1	1	1	1
681.5151@1.0716903	1	1	1	18828	1	1	37545	1	1	1	1	1	1	9989	22069	1	1	17049	1	5672	1	18838	1	1	19847	10962	1	1	1	1	1	1	1	1	1	1	1
C23 H30 N O2 S3	8556	9175	1	5427	1	1	1	4849	1	1	8242	1	1	1	1	12090	1	1	5149	1	9980	1	4061	1	1	11584	1	2720	4131	1	19461	9859	5233	4235	4424	1	5547
948.7931@1.073968	1	11598	1	23465	4855	12414	1	1	1	1	3292	1	1	4504	1	1	1	1	1	10161	12775	1	4361	1	1	1	1	1	1	62603	5374	1	1	1	1	1	1
564.4073@1.0759584	1	13327	1	13728	1	1	1	1	12381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13061	1	1	1	1	1
394.3079@1.0731046	302023	1	1	36813	88788	1	57935	63715	1	1	1	1	1	1	108211	1	1	1	86208	1	1	29145	1	1	62517	98604	121402	1	28815	1	1	1	1	1	1	35826	28575
833.5597@1.0756489	1	1	1	7667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
428.185@1.0751239	16000	1	1	6217	1	1	1	11187	1	1	1	1	1	1	16374	3912	1	7515	8697	1	14144	1	1	1	22682	10496	12401	1	1	1	1	1	1	1	1	5123	4149
874.7011@1.0756489	1	1	1	16414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
522.354@1.0935594	28740	1	1	49485	1	1	1	38020	8707	1	1	1	1	6550	1	1	6451	3823	1	1	1	1	1	6465	69573	1	1	1	1	1	1	1	1	1	1	1	1
C22 H54 Cl N8 O4	24346	1	1	17956	1	10274	11148	1	15716	1	1	16027	14089	1	1	18792	1	1	1	24601	15784	1	10778	1	33622	1	1	1	1	1	1	13399	10183	1	15251	1	17857
421.3417@1.0773023	1	1	1	48025	1	1	1	1	1	1	1	5627	1	40576	1	1	36908	1	1	1	1	9720	31968	1	54284	1	1	1	1	1	1	1	7090	1	1	1	1
314.1153@1.0753037	1	26343	1	52008	1	1	1	1	18662	1	1	1	1	28632	1	1	1	20622	1	1	16053	1	1	1	17310	1	1	1	1	1	1	1	1	1	1	1	1
407.3132@1.1068668	1	1	1	9990	1	1	1	1	1	1	1	1	1	38502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
434.299@1.1207182	29081	1	1	10526	14177	1	1	1	1	16966	1	11466	1	9446	11004	1	6205	1	18949	1	58029	1	1	33229	20418	8463	1	1	25892	1	4318	8464	18347	1	5935	1	1
272.1768@1.0758072	1	1	1	5871	1	1	1	1	1	1	1	1	7430	1	1	1	1	1	8297	1	3567	1	1	1	1	9381	1	1	1	1	1	5126	1	1	1	1	1
702.5526@1.0772175	1	1	1	29707	1	1	1	1	1	1	1	1	1	1	1	1	1	5007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
334.2151@1.1026746	1	1	1	20877	1	1	1	66419	1	1	1	1	39935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18974	1	1	17683	1	1	1	1	37404
733.6392@1.0776479	1	1	1	7483	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H41 N4	13320	12497	1	13079	1	1	1	1	10657	12010	9938	1	10872	1	10465	9864	10783	1	11039	9391	13360	1	1	11789	11379	1	11075	10509	1	1	1	9534	1	9496	1	1	8336
252.2444@1.0782514	25104	18847	1	18967	15517	1	1	15461	3151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12848	14153	1	1	1	1	1	1	1	1	1	15811	1	1
1031.7236@1.0786475	1	1	1	1305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
474.3334@1.0783715	1	1	1	7859	1	1	14417	1	1	1	1	1	1	1	1	1	8419	1	1	1	1	7939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11708
806.5335@1.0796471	1	1	1	9628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
598.1092@1.0804911	1	1	1	3159	1	1	1	1	8271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
301.2612@1.0787925	1	1	1	20697	1	1	20456	1	1	1	1	1	7109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C43 H80 Cl N2	15164	1	1	28797	36201	6939	19616	8068	5176	5712	14897	1	9373	8167	23583	8071	10510	13365	11134	9681	1	6873	12020	1	1	4775	14976	6930	1	1	1	1	1	5452	1	9642	1
711.491@1.0729715	44031	1	1	6474	51513	8235	1	20509	1	1	7894	6886	16535	25624	23625	1	1	20882	31959	1	1	12972	1	10360	31919	32979	34747	9944	8543	1	1	1	1	1	1	14825	1
518.4003@1.1039404	1	1	1	45830	1	1	1	1	65650	1	1	22907	1	1	1	1	1	1	1	1	1	1	1	75327	1	1	1	1	50615	1	18799	17493	1	1	1	1	1
264.1722@1.0935639	11956	1	1	9951	36233	1	1	1	1	1	1	15205	19423	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17200	1	1	1
429.308@1.0798103	17682	1	1	10622	18414	1	18739	1	12593	1	17260	1	11867	1	15844	14810	1	1	10927	1	13700	1	1	1	18851	15328	14907	13823	12256	1	1	1	1	1	14464	1	12967
925.7971@1.081646	1	1	1	6188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
759.6568@1.081646	1	1	1	6163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
841.5776@1.0626	26694	1	1	10222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20085	1	1	1	1	1	1	1
536.3709@1.0805403	1	1	1	14168	1	1	1	1	1	1	1	1	1	11455	1	1	1	5266	1	1	1	1	1	6884	21187	1	17792	1	1	1	6259	5916	1	1	1	1	1
Gö 6983	25681	49472	1	22632	33801	27942	1	1	39993	42671	29625	1	1	36467	1	1	1	1	1	25926	17030	1	1	31894	1	1	24231	22926	19202	1	31883	1	1	1	13709	1	1
794.7176@1.0839261	1	1	1	20460	16073	1	1	1	1	1	1	1	10259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
719.6261@1.0791328	1	1	1	5207	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2712	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
636.5298@1.0819825	1	1	1	14735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6241	1	1	1	1	1	1	1	1	1	1	1
819.7309@1.0819309	9300	18233	1	53756	80959	8900	6959	9444	126619	24572	18720	14551	1	1	1	7656	7439	7303	15822	13563	1	4764	13464	18044	22185	46026	6519	11839	1	1	14206	1	11738	1	1	15301	1
567.4498@1.0811931	1	1	1	43004	69315	1	60929	1	43801	54554	45815	1	59062	1	1	22574	46810	1	37204	1	33596	1	40317	58148	1	42356	1	41969	1	1	73719	1	1	56804	1	1	1
312.2634@1.0887122	1	1	1	12024	1	1	1	35849	1	1	1	1	1	1	50153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
782.7157@1.090126	1	1	1	3050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
825.734@1.0852301	1	1	1	6093	1	1	4084	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H57 N4 O S2	157250	1	1	40125	76368	48270	110998	95058	1	1	60662	1	1	1	1	55117	1	50755	49108	75164	14476	72681	30209	1	44044	1	59025	1	1	1	21961	1	1	3638	1	75050	67982
480.3829@1.0835508	1	1	1	9408	1	1	1	1	1	1	8469	1	1	1	1	1	1	1	1	1	5345	1	1	1	1	1	1	1	1	1	5280	1	1	1	1	1	1
323.1756@1.0843128	1	1	1	14910	1	1	19764	1	1	1	1	1	1	1	1	1	1	1	1	1	27298	1	1	20043	1	1	20530	17440	1	1	1	1	1	1	1	1	1
C21 H48 Cl N12	1	56580	1	82436	1	1	1	41666	59628	37350	60633	34336	64374	45192	1	29381	1	40554	58135	77318	100475	1	1	25236	90720	66508	52882	61033	99522	1	1	1	29236	70026	29047	1	1
593.4676@1.0864989	1	1	1	16380	1	1	1	1	1	1	1	18482	1	1	1	1	1	1	1	1	1	1	1	1	1	12445	1	1	1	1	1	1	1	26469	1	1	1
385.246@1.1224612	102298	1	1	30534	1	1	1	103472	1	28713	1	1	1	45185	1	1	1	1	1	1	1	1	37855	1	1	1	1	1	1	1	1	1	1	1	14244	1	1
C26 H46 O4	31287	1	1	7139	20190	1	24329	21530	1	1	1	10811	1	1	9608	1	10403	1	1	1	1	1	1	1	11821	26774	1	12283	1	1	1	1	1	1	16433	1	10710
429.2199@1.0854721	9787	1	1	5732	11546	1	14728	1	1	1	13718	1	1	1	1	10818	14136	8166	1	1	1	8924	1	10772	1	6608	1	1	1	1	1	1	1	1	1	11582	1
C11 H31 Cl N10	90006	1	1	23721	28238	1	1	57458	8480	1	7510	5669	35372	9473	22348	1	1	1	13260	3938	1	19502	6517	1	1	47216	45224	1	1	1	23208	1	1	1	11680	14902	5728
701.5119@1.1131945	43602	1	1	27698	1	1	1	1	1	10863	1	1	1	1	1	1	1	1	4001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
303.1682@1.0881985	22009	25883	1	28009	1	1	1	1	24273	52538	25091	39038	1	1	1	20092	1	1	1	1	29165	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
248.2137@1.0938933	22120	1	1	3286	1	1	1	12815	1	1	1	1	8359	1	1	1	1	1	9459	1	1	8332	1	1	1	18492	1	1	1	1	1	1	1	1	1	1	5590
485.3353@1.0912799	1	1	1	18960	1	36828	1	1	1	1	42377	49092	35951	1	1	1	33962	26723	1	37321	1	1	1	77462	59808	1	37428	1	1	1	1	1	33636	38797	40632	1	1
218.1881@1.0890067	16116	1	1	13756	1	20099	1	1	17453	24617	18279	14072	1	1	18127	1	1	14915	17684	1	1	20423	1	1	22162	61366	1	22062	20628	1	15547	13503	1	28035	13719	16443	17059
797.7005@1.0890156	4606	8558	1	12769	14770	1	9957	1	1	9182	1	8052	1	10572	1	10351	9263	8111	6785	1	6978	1	1	10257	8761	7647	1	1	1	1	1	1	1	9802	1	7915	7806
670.4661@1.0728132	1	1	1	106393	1	1	1	1	1	1	13385	1	25154	1	1	1	1	1	1	21913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
318.219@1.1278352	1	25609	1	54931	1	1	31096	12157	35997	25460	1	46709	17331	1	1	1	58702	56940	66226	7600	47689	116234	1	32103	60287	162580	1	14815	1	41604	1	39994	1	1	1	108516	10918
668.3241@1.0882356	5410	1	1	9112	1	1	2678	1	1	1	1	1	2227	1	1	1	1	1	3179	1	1	1	1	2630	1	1	1	1	1757	1	1	1	1	1	1	1	1
706.4697@1.112353	98789	1	1	7844	1	1	13494	18600	1	1	1	1	1	1	16191	1	1	1	4785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
633.4157@1.0946397	1	1	1	35992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
327.2407@1.0968351	1	1	1	108017	1	1	113624	1	8556	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	161612	192289	1	1	1	1	70868	1	1	1	59014	112924	1
386.3393@1.0923401	1	105208	1	40811	1	1	1	1	1	34216	1	49295	1	1	1	43876	1	1	1	1	63492	1	1	58440	1	1	1	42642	42339	1	64075	39565	39709	1	40768	1	35578
329.141@1.1056955	1	1	1	4861	1	2862	1	1	1	1	1	14451	1	1	1	1	1	1	6460	1	1	9418	1	1	1	1	1	1	1	1	1	1	1	8555	1	1	1
691.6449@1.0934066	1	1	1	12725	1	1	1	1	1	1	1	1	8150	1	1	14690	1	1	1	1	1	1	8132	1	1	1	3905	1	3744	1	1	1	1	1	1	1	1
363.2608@1.110318	1	1	1	12673	1	1	1	60086	1	1	1	1	17396	1	1	1	5489	1	56997	6776	1	1	11001	1	21107	1	33938	1	4892	1	1	1	1	6627	1	1	1
264.2086@1.0948155	35019	1	1	10931	20033	12462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14431	1	6722	18796	1	1	1	1	1	6411	1	1	1	14255	1	12590
660.3512@1.0996372	1	1	1	4288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
924.795@1.0855584	2676	1	1	17356	1	1	1	1	1	1	1	1	1	4144	1	1	1	1	1	1	9166	1	1	1	1	1	1	1	1	1	5002	1	1	1	1	1	1
646.3365@1.1006366	1	1	1	4620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
435.1744@1.100686	1	1	1	2721	1	1	1	1	1	1	1	1	1	1	1	1	1	16925	1	1	1	1	6082	1	1	1	1	1	1	1	1	1	1	1	1	17470	21440
C32 H31 N3 O4	9680	13745	1	2386	1	3474	1	6571	7636	8316	13402	1	5990	1	4993	17508	1	6102	9166	1	15303	6219	6137	5857	4583	18600	7241	6865	8228	1	24927	16773	6828	7490	8838	7652	7640
619.4033@1.0925871	1	1	1	28846	1	1	15725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6763	1	1	1	1	1	1	1	1	1	1	1
539.4393@1.0902401	1	1	1	90365	1	1	1	1	1	32418	1	1	1	1	1	1	5290	1	1	1	1	1	1	1	1	38709	1	1	1	1	1	1	1	1	1	1	1
740.6322@1.1026556	103299	232129	1	189511	144713	199801	1	1	1	165607	1	158573	185723	182524	127974	1	181448	125494	134416	160742	1	118130	1	196420	174030	147819	158653	179274	1	1	188572	179927	1	173118	165364	150097	154605
635.584@1.1040881	1	1	1	11681	16193	1	1	5791	1	1	1	1	15481	1	1	1	11961	20176	1	1	1	1	14204	13174	7933	27270	1	1	1	1	1	8519	9237	1	1	22602	1
445.3746@1.1060477	1	1	1	6584	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7184	6495	1	1	1
544.3958@1.1046346	1	1	1	9128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
782.6577@1.1014671	10204	34389	1	22734	1	1	1	1	1	18116	15252	1	1	1	1	1	1	1	14373	16103	1	1	16193	12895	1	1	12389	1	1	1	1	18268	1	1	16936	1	1
525.4234@1.1046346	1	1	1	59959	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
340.2971@1.0924481	1	1	1	139615	1	1	1	1	199112	1	1	1	178188	1	1	1	1	1	130097	1	1	1	1	1	1	1	1	1	1	9486	1	1	1	1	139303	1	1
1112.8767@1.1056341	1	1	1	2969	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
821.7437@1.1100092	1	1	1	27808	1	1	1	1	1	1	13283	1	9051	1	1	1	1	1	12933	1	1	1	10969	1	16524	18179	8731	1	1	1	1	1	1	1	1	1	1
605.3826@1.1066337	1	1	1	15595	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
632.3222@1.1066337	1	1	1	1705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1106.9237@1.1079489	1	3296	1	2360	1	1	1	1	1	1	1	1	1	1	1	1	1849	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
617.5739@1.1056151	1	9426	1	15208	1	6676	8712	36643	13318	15816	9557	12549	1	4075	9057	11385	1	1	5774	9183	5438	1	1	1	1	1	6543	7432	5666	1	7826	1	1	4894	9769	1	7111
659.4638@1.1232313	1	1	1	52321	1	1	1	1	36331	1	1	5882	1	1	1	1	15322	1	1	12486	1	1	16915	1	34137	1	1	3273	1	1	1	1	1	1	6084	1	1
475.351@1.0973194	44771	1	1	65808	1	34861	70432	72163	68973	1	1	1	1	1	1	39144	1	42903	1	1	1	1	27941	1	87178	1	1	1	35571	1	1	1	1	1	16253	100290	1
704.612@1.1106316	1	1	1	2161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
729.5016@1.098609	1	1	1	5679	1	1	1	26104	1	1	1	1	1	1	10493	1	1	1	1	1	1	1	1	1	1	20480	1	1	1	1	1	1	1	1	1	1	1
716.6127@1.1137981	16834	1	1	27305	1	1	1	1	1	1	1	9477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
591.3664@1.1149603	1	1	1	20895	1	1	1	1	1	6644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13784	1	1	1	1	1	1	1	1	1	1	1
511.4079@1.119466	1	33107	1	85764	1	16230	1	1	1	19522	1	1	1	1	1	1	11998	1	14439	1	1	1	33185	1	1	29803	1	1	1	1	17124	1	1	1	1	1	1
443.2509@1.1264876	1	1	1	11143	1	1	1	23645	1	1	25392	37595	45357	1	119391	24722	1	42890	1	1	1	55368	24559	1	1	1	1	1	1	1	1	1	1	1	1	13633	62826
433.3755@1.1141472	1	1	1	13667	1	12755	1	1	14476	1	6780	1	1	1	1	6796	5693	1	1	1	1	1	5349	1	1	1	14149	1	1	1	1	1	1	1	1	13340	1
661.5995@1.117907	1	1	1	5987	1	1	5751	14137	4589	7532	6627	1	4606	1	1	13468	1	10317	1	1	2201	1	1	8658	5161	1	1	1	3347	1	1	2987	1	1	7699	1	1
1206.3232@1.1107197	1	1	1	25580	1	1	1	1	1	1	1	18587	4993	1	1	1	1	13079	1	1	1	1	1	1	1	24423	1	1	1	1	1	1	1	1	1	1	12476
C14 H34 Cl N5 O7	1	1	1	11336	1	1	1	1	17304	19956	29641	1	1	1	17694	1	11052	20576	1	1	16462	13511	1	1	18595	1	1	23908	11466	1	1	13039	26635	15488	33966	1	1
607.5533@1.115644	1	1	1	7231	1	1	1	1	1	1	5159	1	1	1	1	1	1	1	1	1	1	1	10646	6815	1	7489	1	1	1	1	7855	1	1	1	1	1	1
451.3514@1.1041911	1	1	1	14275	1	1	1	1	1	1	1	1	1	1	5359	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
437.3352@1.160838	1	1	1	112708	1	1	1	1	1	1	1	1	9740	7835	1	9231	1	5748	1	1	1	1	1	1	1	1	1	1	1	1	1	12270	1	4910	1	1	1
1201.3256@1.1155747	38082	226194	1	250119	1	1	192151	1	1	1	1	213643	110930	35537	147727	161784	114968	229537	12979	63849	145629	78250	1	170995	41943	280059	148510	18649	18498	1	160857	189251	1	45223	40467	1	142268
312.2656@1.1209419	1	24803	1	16631	39914	1	21928	1	1	1	1	1	21695	1	1	1	1	21484	1	1	21959	21508	1	27346	26215	29300	27946	1	1	1	23992	1	20837	1	24496	1	32130
475.4584@1.1186277	1	1	1	18622	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ceramide (d18:1/24:0)	1	1	1	16261	4209	1	5226	14065	1	1	6279	21905	4077	1	4615	14089	8850	26754	6609	5997	1	4549	1	13682	5602	21426	3150	10382	5179	1	1	1	1	1	19909	25082	18603
Cer(d18:2/16:0)	1	1	1	14979	1	1	1	1	1	11525	1	10539	9046	5993	5019	9525	7189	10836	1	5159	6088	1	1	10264	5474	12605	4317	4207	6660	1	1	17124	1	1	11128	1	1
C42 H80 Cl	11150	23159	1	21767	41921	14457	18751	1	24954	16166	18038	20207	15894	10137	13867	14081	14543	23356	6850	10939	6680	7475	16440	8055	18255	18209	10353	10779	10942	1	15089	14442	10358	18365	21127	23923	14075
C24 H35 N O	1	24432	1	37406	1	20814	1	1	1	35985	1	1	1	1	1	1	1	1	1	1	1	1	1	23736	1	1	1	19126	1	1	1	25075	1	1	37687	1	1
C40 H86 Cl N4 O2 S	1	1	1	16704	1	7135	1	13819	3548	12675	1	14333	1	1	1	9878	1	18094	1	10952	1	9501	1	1	1	1	1	4568	1	1	1	9219	1	9642	18885	20311	23643
4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-difluoro-1?,25-dihydroxycholecalciferol	32442	44581	1	42989	70259	54574	23751	1	67026	1	58587	1	1	45814	17246	55502	1	40269	38802	1	1	30485	44166	46649	1	22498	15681	27399	32654	1	35277	41341	1	31126	52041	42443	11652
C19 H41 N11 S	15171	25500	1	9220	39274	40002	20696	27891	45695	37616	39121	32134	23031	26868	1	21161	7258	36893	1	1	8854	1	16885	15509	36194	31632	7454	13921	9983	1	11070	14368	31154	11567	12418	9615	1
466.292@1.1298485	1	1	1	8125	1	1	1	1	27899	1	1	1	1	7006	1	1	1	1	1	1	1	1	1	1	28180	1	1	1	1	1	1	1	1	1	1	1	1
430.3355@1.12599	1	1	1	10049	1	1	1	1	9092	1	1	1	1	7376	8792	1	1	1	1	1	1	1	1	9497	1	1	11998	1	1	1	1	1	1	1	8678	1	7627
676.5292@1.1019998	1	1	1	2597	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16744	1	1	1	1	1	1	1	1	1	1	1	1
302.2814@1.1158905	1	11677	1	10732	1	1	1	1	6778	1	1	1	1	1	1	1	1	1	8371	1	7517	7115	1	1	1	1	1	1	10234	1	1	1	6799	1	8775	1	1
684.569@1.1236267	8265	17018	1	13399	1	1	9756	1	1	13363	1	1	10706	1	1	1	11101	1	8687	1	10961	7302	1	1	1	1	8754	11152	10126	1	1	1	1	12387	12949	1	1
256.05@1.1242343	62906	69571	1	105402	1	30916	32593	34336	1	1	1	1	1	81243	62310	44645	1	41177	1	1	1	54050	54461	52652	85707	64214	1	1	1	1	1	43973	1	1	1	1	1
423.319@1.1246246	1	1	1	115476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
447.3219@1.1219312	1	1	1	43499	1	43480	1	1	45983	1	1	1	1	28470	1	1	21740	1	23413	1	1	1	47651	1	65313	1	1	46144	1	1	19580	1	55886	1	17685	1	48205
DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	1	1	1	16085	14273	15049	14901	1	14304	18309	13044	1	14805	15493	20193	14594	16807	15179	18567	13993	13265	12197	15116	14081	22677	1	18531	15878	16972	1	15010	15433	13824	17523	17990	11815	12773
PGE2	105894	1	1	71994	203742	1	1	78905	1	16732	1	1	123499	20526	62422	26912	65202	55388	40468	1	1	104275	1	1	43224	93180	72269	1	63336	1	1	1	1	1	8105	31521	1
593.5758@1.1256242	1	1	1	8418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
835.7586@1.152768	1	1	1	3386	1	1	1	1	4441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9107	1	1	1	1	1	1	1	1	1	1	1
521.3965@1.1266236	1	1	1	26197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
447.171@1.1266236	1	1	1	8182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
493.4299@1.1308992	1	1	1	10072	6771	1	1	1	1	1	7390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3470	1	1	1	1
522.3551@1.1223849	46454	1	1	5098	7994	1	1	1	1	1	1	1	1	1	1	6081	1	35122	8915	4957	1	1	1	1	1	1	1	1	9195	1	1	1	1	1	1	1	1
377.3111@1.1286227	1	1	1	20629	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
926.8125@1.1645138	1	1	1	2029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9787	1	1	1	1	1	1	1
409.3035@1.1286227	1	1	1	136977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
354.2766@1.1357112	1	1	1	419027	1	1	1	1	1	1	1	1	455748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10232	1	1	1	1	390583	361605	1	1
519.5008@1.1275071	1	1	1	4612	1	5833	1	5866	1	1	1	1	1	1	1	2754	4183	4231	6032	1	1	1	1	3944	7603	4645	1	1	4270	1	1	1	1	1	1	1	1
517.3615@1.1219603	61225	1	1	18563	20961	19641	1	96124	17526	1	15512	20925	1	18429	51531	1	1	1	1	1	1	1	1	1	1	132381	1	1	1	1	1	1	1	1	1	52587	91134
457.3761@1.1280857	1	1	1	5561	1	12893	1	1	1	1	1	23595	1	1	1	1	1	1	1	1	1	1	1	20008	1	1	1	1	1	1	1	1	1	1	1	1	1
357.2148@1.1241752	1	1	1	12337	1	1	1	13475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
611.496@1.2011403	1	1	1	12101	1	1	1	1	28421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9227	1	1	1	1	1	1	1
622.3706@1.132243	1	1	1	12044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14863	7248	1	1	1	1	2018	1	1	1	1	1	1
341.2205@1.1299113	68598	1	1	25880	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18460
603.3988@1.1329149	1	1	1	47482	1	1	1	1	1	1	1	1	1	1	1	1	9870	1	1	1	1	1	1	1	66491	25439	1	9612	1	1	1	1	1	1	1	1	10244
651.5217@1.1316539	1	1	1	12131	1	17378	1	1	1	1	1	1	4646	10202	1	1	1	7116	1	1	1	1	1	9732	1	1	1	1	1	1	1	1	1	1	1	1	1
220.1462@1.1433613	1	1	1	15015	30086	1	48681	30477	18837	27901	17411	1	1	15904	22803	22847	16769	20404	1	21915	1	1	20036	1	1	16190	1	13622	28908	1	1	13278	1	1	13193	30008	1
C10 H9 N O7 S	1	1	1	7123	1	4380	1	1	1	16732	1	7440	4526	1	3433	1	36274	1	1	44965	1	1	1	1	1	4916	1	23097	3060	1	5505	1	1	5587	1	1	5604
C6 H14 O4 + 1.1488354	1	56959	1	55064	1	131581	1	1	1	52019	69343	35984	35125	38569	1	1	34201	1	1	36801	28222	1	1	1	30759	1	1	28583	35195	1	34967	1	1	1	50553	47806	1
608.3546@1.1337668	1	1	1	15346	1	1	1	1	7780	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26343	1	1	1	1	1	1	1	1	1	1	1	1
467.3097@1.1758312	1	5336	1	14220	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
797.5256@1.1373769	17882	35278	1	17653	27517	22217	19370	9820	20832	18228	15235	1	20266	23264	12621	16042	22713	1	12160	1	20847	15070	19100	1	9589	18701	16063	15157	16038	1	26830	1	1	14489	16357	18195	1
677.4414@1.1346196	1	1	1	35867	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
636.3853@1.1309738	1	1	1	17719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19168	1	1	1	1	1	1	1	1	1	1	1	1
485.3346@1.2019981	1	1	1	22771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22792	1	1	1	4015	1	1	1	1	1	2894	1	4453	1	1	1	1	1	1
704.3785@1.1346196	1	1	1	3904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2,3-dinor-11b-PGF2?	323565	22144	1	78989	188625	1	112541	107065	1	31929	61542	1	109534	82221	138144	55564	42722	65691	302196	60458	1	133211	1	1	83606	119612	176149	1	1	16163	1	1	1	1	1	111521	117361
589.384@1.1268324	37987	1	1	28250	1	1	1	1	18595	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43714	9299	1	1	1	1	1	1	1	1	1	1	1
402.2262@1.2014145	1	1	1	33314	1	1	1	1	1	1	1	19389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
682.3998@1.1366186	1	1	1	3148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
252.2088@1.1168966	91266	33492	1	87330	113917	1	37923	35470	1	48243	21687	1	107599	80910	116608	110299	75207	117036	103033	113421	59198	103443	1	97475	1	108325	112638	108513	98914	1	1	1	1	1	1	1	27545
537.4287@1.0936294	1	1	1	16027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8480	35666	1	1	1	1	1	1	1	22936	1	1	1	1	1	1	1	1
425.3855@1.1376181	1	1	1	5250	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
663.4241@1.1376181	1	1	1	35306	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
509.3986@1.2177409	1	1	1	32751	1	1	1	1	1	1	20410	9740	10734	1	1	1	1	1	1	1	1	1	1	1	1	1	11599	1	6171	16233	1	1	1	1	1	1	1
519.1893@1.1376181	1	1	1	1358	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
523.4118@1.174898	1	1	1	18446	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17358	1	1	1	1	1	1	1	1	1	1	1
392.2527@1.1352117	1	1	1	17459	63736	34664	1	1	1	1	1	1	15469	1	1	26915	24734	1	36332	1	1	34565	17361	1	1	1	1	14585	1	1	1	13061	1	1	1	1	1
325.141@1.1386176	1	1	1	9989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
365.2813@1.1273959	1	1	1	10422	1	1	1	1	1	1	1	38602	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H47 Cl N8 O	1	28898	1	17806	1	22577	1	13335	30566	20045	27990	26634	30388	28449	24752	1	22677	1	28175	26586	38921	1	23632	30443	23505	16807	29015	20643	16305	1	21903	1	1	19518	11142	24589	1
246.2189@1.1393162	31486	31678	1	12009	8844	1	1	1	1	1	11194	1	1	10533	1	1	10825	13916	1	1	13145	17885	3841	12625	22264	6676	1	8178	6324	1	1	1	1	1	1	1	4253
649.4084@1.1386176	1	1	1	26582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H37 N5 O2	1	54451	1	48574	1	24829	60128	1	21227	1	82536	1	42859	19296	45243	42262	48911	47758	44257	46633	19180	1	23072	17438	58928	41595	42424	1	1	1	36416	24555	22051	26128	28496	40653	46743
C13 H23 N O2 + 1.1620494	1	128206	1	136363	1	212552	1	1	159391	73657	182844	134835	66248	1	62774	1	1	1	122783	1	1	49908	524923	1	1	684683	1	1	1	1	501295	1	1	62192	1	1	1
374.3385@1.141616	1	1	1	28381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
580.3229@1.1430975	1	1	1	9103	1	1	1	1	5489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11538	1	1	1	1	1	1	1	1	1	1	1	1
546.5115@1.1053671	1	1	1	4512	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4511	1	1	1	1	1	1	1	1	1	5776	5699	1
569.4496@1.2413605	8094	1	1	40726	15531	1	1	1	1	13499	1	1	1	1	1	1	1	1	1	7550	1	1	1	10364	1	1	1	1	1	1	1	1	1	1	1	1	1
Avocadyne acetate	1	17863	1	22165	1	1	41553	1	19662	1	36059	1	1	1	18817	26556	21137	1	1	27632	1	16228	19813	1	42073	1	1	11956	1	1	26261	13914	1	1	12679	1	1
sec-Butylbenzene	1	1	1	724643	1628409	2064573	29557	1511784	1	1	1727258	22661	933486	1174644	1	1468607	1198071	1734741	1029473	18321	822355	1254720	969769	1269362	811817	1437548	20338	1680175	19079	1	16184	1709503	1	1642889	1566041	1	1
570.2727@1.1466135	1	1	1	85581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
327.2071@1.1493977	1	1	1	17113	1	1	1	1	1	1	1	14088	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.5214@1.1480281	4662	3552	1	1984	2802	1	1	1	1	1	1	1	1	1	1	1	1	1	2605	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Batatasin IV	1	1	1	29777	14495	1	31400	1	1	1	1	1	54185	20952	48084	1	13970	15444	33254	1	12416	1	52619	8791	1	25242	18841	1	36373	1	1	1	8410	1	1	13300	31871
637.5025@1.1429251	1	1	1	5009	5476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C33 H47 N2 S	1	1	1	16952	15373	22589	1	1	19002	1	14790	1	1	1	1	1	11098	1	1	11579	15034	1	1	1	11847	1	1	1	1	1	10449	16806	1	25845	1	1	1
211.0121@1.1481959	1591	1	1	3531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10234	1	1	1	1	1	1	1	1	1	1	1	1	1
635.3925@1.1462634	1	1	1	15004	1	1	1	1	1	1	1	2446	1	1	1	1	1	1	1	1	1	1	1	1	1	14383	3853	1	1	1	4996	1	1	1	1	1	1
285.1371@1.1526104	1	1	1	157176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
845.4345@1.1522328	26506	56089	1	21131	1	1	1	1	1	1	1	27627	44474	72288	1	1	47117	15466	15213	1	1	1	1	1	1	1	21315	24765	20750	1	45495	1	1	1	39161	1	19770
397.357@1.1703224	1	1	1	4308	1	1	1	1	1	2031	1	1	1	1	1	1	1	1	1	3042	1	1	1	1	1	16397	1	1	1	1	1	1	1	2702	1	5006	1
555.3695@1.1526104	1	1	1	10060	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H26 N O	43162	74161	1	56597	1	40194	71996	1	51986	75404	1	6767	13546	82623	7217	56980	64438	7846	45984	39979	53844	1	67494	66522	32380	20613	39956	38991	57532	1	62330	45185	33988	72133	57525	47487	43711
456.2305@1.1518247	1	1	1	8066	1	1	1	1	1	1	1	1	1	12376	1	1	7149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10406	1	1	4673
411.3804@1.1584376	1	1	1	7464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5501	1	1	1	1	1	9060	3146	1	1	1	5828	1	1	1	1
510.2425@1.1546094	1	1	1	2800	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
421.3371@1.1619064	1	1	1	8163	1	1	1	1	7147	1	1	6289	1	1	1	1	1	1	8784	1	6082	6530	15601	1	1	1	14753	1	1	1	1	1	1	1	1	1	1
9,12-octadecadienal	33487	34537	1	27272	20072	22834	24952	1	42220	41507	1	29030	21447	4049	14052	14164	1	1	18743	10635	17563	9026	44139	17097	1	16335	13845	53992	13707	1	55545	25204	1	7891	14456	43820	14540
Chaparrinone	1	1	1	11159	11059	1	1	1	1	1	1	1	29130	6580	1	1	1	1	6078	5544	36039	1	1	33818	1	11961	36235	1	39151	1	1	9009	22240	1	1	1	1
579.4346@1.169126	1	1	1	7462	1	1	1	1	1	1	12268	1	1	1	1	1	1	1	1	1	1	1	1	1	6786	1	1	1	1	1	1	1	1	1	1	1	6610
1591.4294@1.1243613	1	1	1	2789	1	2726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
379.2568@1.1635419	114081	1	1	34398	1	1	1	63187	1	1	30674	1	1	1	65545	1	1	42798	1	1	1	1	1	1	33300	1	52095	1	30058	5954	1	1	1	1	1	45436	24467
1275.3438@1.1750982	1	61275	1	31788	1	1	1	1	1	1	1	1	1	49005	21731	1	40301	1	1	1	27092	1	1	57751	1	1	1	1	1	30930	52676	1	1	39252	1	1	42395
C32 H67 N O4 S2	1	22402	1	7134	9555	11075	1	6537	12306	12810	10133	1	1	1	10029	9269	1	12821	4391	1	7943	12991	1	4726	11640	1	1	10447	1	1	1	8408	12892	9300	1	12897	9792
C30 H63 N O4 S2	1	77134	1	12613	1	84964	1	8596	52625	1	1	118460	20134	1	77788	1	1	89176	7946	1	28844	1	1	23775	1	1	1	1	1	1	1	31762	56804	29357	2395	89617	72127
412.2926@1.179073	1	1	1	10948	1	1	1	1	5884	1	1	1	1	1	1	1	1	1	5854	1	1	1	1	1	1	21255	1	1	1	1	1	1	1	1	1	1	5543
495.3784@1.1606064	1	1	1	24033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
465.3999@1.1622005	1	1	1	13091	1	1	3924	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.3614@1.1616058	1	1	1	154273	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
586.2698@1.1626054	1	1	1	2343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
460.1162@1.1626054	1	1	1	2151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
339.3129@1.1631311	1	1	1	20550	13397	1	11263	7392	1	8728	1	1	7482	1	5615	9581	8734	1	10634	9153	1	11821	1	10112	7441	38777	9811	7627	1	1	8297	1	1	1	8413	10351	9132
307.2396@1.1628817	1	1	1	9182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5552	1	1	1	1	1	14102	1	1	1	1	1	1
519.4857@1.2031637	1	1	1	22885	1	1	1	1	1	1	1	1	1	1	1	1	1	2499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
317.2607@1.1610415	1	1	1	57292	1	5128	1	1	1	1	9541	1	8241	3879	1	1	41017	78801	1	1	1	5480	3217	1	50104	111120	1	3843	1	1	1	1	1	4895	1	1	58026
427.3337@1.1446816	1	1	1	5618	1	1	5578	1	1	1	1	1	1	1	1	1	3338	1	1	1	1	1	3910	1	1	37009	1	1	1	1	1	1	1	1	1	1	1
444.2399@1.1628457	1	21114	1	13829	10550	1	1	1	1	1	1	1	1	6424	1	8574	12253	1	1	1	13046	1	1	1	8914	9260	1	4086	1	1	6417	9389	1	1	3028	1	1
737.4973@1.1645383	1	3342	1	20618	13151	1	8819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8353	13936	5563	1	1	1	1	1	1	1	1	1	1
370.1811@1.1710699	1	1	1	4800	19551	1	1	1	1	1	1	42985	1	1	1	1	5228	1	1	1	1	35284	1	1	1	1	1	1	1	1	1	2473	1	1	1	1	1
C20 H48 Cl N6	65863	164473	1	244570	1	74810	164008	65830	174480	175223	1	146468	181278	1	74249	116654	173924	21755	244961	1	142053	85668	360853	113260	143806	1	230749	59112	79501	1	81877	90338	52311	153890	118053	186475	61170
467.3457@1.1686023	1	1	1	180267	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
576.4749@1.130485	1	1	1	5406	1	1	1	1	37947	1	1	29535	27272	1	1	18765	1	18965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
316.2614@1.1207492	1	14623	1	8875	1	1	1	1	1	1	1	1	1	1	1	5490	9617	1	1	14230	1	1	14042	1	1	5377	1	11698	1	1	1	1	1	9946	1	1	9390
413.3882@1.1726002	1	1	1	2915	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
343.3077@1.1745992	1	1	1	38419	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
652.5068@1.1669008	1862	1	1	3540	15635	1	1	1	6247	1	2834	1	1	8396	23329	3454	1	10749	1	1	1	1	1	1	14631	1	4743	1	1	1	1	1	1	1	1	1	16310
741.5936@1.1775976	1	1	1	8793	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
575.4747@1.1767484	1	1	1	7075	1	1	1	5980	6601	13788	1	11896	6827	1	1	14605	9621	11628	4300	1	1	1	1	5788	1	1	6178	1	1	1	6162	1	1	1	4889	10164	1
446.3955@1.1389705	1	1	1	20639	1	1	1	1	44531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
311.1578@1.1785971	1	1	1	95137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
587.4727@1.1397845	1	1	1	10160	1	1	1	5590	1	1	1	1	1	2671	1	1	1	1	1	1	1	1	4896	1	1	1	1	1	1	1	1	1	1	2771	1	10522	1
C12 H24 O4	1	1	1	18503	1	35060	1	21792	1	1	1	1	26769	17022	22973	1	16512	13085	1	16444	20278	1	27248	18652	56491	21534	19313	1	17972	21843	17947	1	1	20178	19229	17531	72101
151.141@1.1753154	1	1	1	2532	1	1	1	1	5651	4517	1	1	34533	1	1	3018	1	1	1	1	1	3156	1	2484	3666	1	1	1	1	1	1	1	1	1	1	1	3093
418.3091@1.1819906	1	1	1	42213	1	1	1	1	40332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
644.5014@1.2140615	1	1	1	35732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3500	6454	1	1	1	1	1	1	1	1	1	1
311.2806@1.1835774	1	1	1	4618	1	1	1	1	1	1	1	1	1	1	2653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2876	1	1	1	1	1	1	1
375.1717@1.1185595	1	1	1	29220	1	1	1	7463	1	1	1	34668	1	7349	1	1	1	1	1	1	6880	1	6009	1	5231	1	1	1	5395	1	6951	1	21827	25103	1	1	1
331.235@1.2303301	1	1	1	16133	1	4622	1	1	1	1	15827	1	1	9264	1	1	8641	1	1	1	1	1	1	1	29946	1	1	1	6054	15381	1	1	1	1	1	14975	1
430.2006@1.1836705	1	1	1	28446	1	1	1	1	1	1	1	1	1	1	1	1	1	22758	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
597.4951@1.1876864	1	1	1	23608	17538	25923	1	1	15926	1	1	51941	1	24315	1	1	1	35447	49976	23695	32274	1	1	56890	1	72638	1	1	15780	23674	21542	1	11286	1	42918	29020	1
C15 H40 Cl N9	106354	1	1	90028	126714	119527	145484	124618	1	1	139901	1	158493	96279	112258	117680	94665	293047	109990	1	1	110138	1	1	126830	243281	208790	1	101859	1	1	1	1	1	1	118288	83934
409.3039@1.1875924	1	1	1	47270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
276.2297@1.1896499	1	53047	1	58600	1	1	129714	1	1	1	162640	1	1	67421	1	1	87691	72414	1	1	120958	171167	1	89503	198007	1	1	1	1	35986	1	1	90431	1	1	1	1
9(S)-HpOTrE	218987	1	1	41347	1	1	64682	142742	1	1	51198	1	64241	28954	163089	1	27812	44749	1	1	1	61199	1	1	86451	72249	106842	1	1	1	1	1	1	1	1	41020	52787
333.3022@1.176626	17258	1	1	28136	1	1	1	1	1	1	1	1	1	1	1	1	1	38134	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16579	1	1
428.1848@1.1972238	25916	1	1	17620	1	1	24829	21727	1	1	1	1	1	13945	1	1	1	5787	1	1	1	1	1	1	26588	1	19745	1	1	1	1	1	1	11722	1	1	1
199.1935@1.1950283	1	1	1	87770	1	1	1	1	1	92199	1	1	1	1	1	40147	1	1	44808	1	1	56328	1	1	1	1	70979	1	1	1	1	1	1	1	1	52017	1
553.4538@1.2207965	1	1	1	29542	1	1	1	1	27176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18830	1	1	1	1	1	1	1
605.4671@1.162713	1	1	1	6948	1	1	22120	1	22014	1	4372	6916	12414	33530	3148	33301	16960	29469	4449	20997	36308	32984	30160	6627	52067	1	3737	1	1	1	14698	3751	4094	1	1	1	5522
420.2324@1.122193	1	18269	1	8936	1	13682	38109	96385	1	1	1	1	18038	1	1	18081	1	1	1	1	13574	15509	1	11896	1	1	27349	1	13088	1	1	1	1	1	1	33346	12655
681.5199@1.1934237	1	1	1	2907	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5796	1	1	1	1	1	1	1	1	1	1	1	1
402.1316@1.1901675	1	1	1	7248	1	1	1	1	1	1	1	1	1	1	1	1	1	4389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
327.2754@1.1945889	1	1	1	8137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.2882@1.1945889	1	1	1	89341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
728.6365@1.1910605	1	1	1	4750	1	1	1	1	3750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11676	1	1	1	1	1	1	1	1	1	1	1
876.7971@1.2490187	1	1	1	14918	1	1	1	1	29391	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
227.1881@1.197195	1	1	1	44549	1	1	1	1	1	1	1	1	1	1	1	1	1	56941	1	1	1	1	1	1	34404	1	1	1	1	1	1	1	1	1	1	1	1
567.4421@1.1955882	1	1	1	15472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.167@1.1725008	14507	1	1	16341	1	1	1	30908	1	1	1	1	1	19006	1	1	1	4535	24028	1	23748	20097	1	29226	1	1	30501	1	1	38922	15762	1	1	7775	1	1	1
253.2393@1.2008746	1	1	1	8002	1	9301	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10105	1	1	1	1	1	1	1	1	7237	1	1
323.2111@1.1975873	1	1	1	5237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
437.2985@1.2333664	101843	1	1	7920	46378	7222	34283	32023	5040	1	21185	1	1	1	60503	1	1	20593	28361	1	1	36149	11922	1	21583	21060	22852	1	7367	1	1	6370	1	1	9864	1	25158
619.3938@1.1995863	1	1	1	15179	1	1	1	1	1	1	1	1	1	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-keto PGE1	224157	1	1	16285	64696	1	61382	87987	1	1	1	1	85961	1	88289	23868	16725	44059	66256	1	1	204898	19469	1	43136	1	100674	1	17042	10875	1	1	1	1	1	82390	44335
404.1845@1.2046198	27834	1	1	7789	1	1	1	1	1	1	9897	1	28601	1	1	17731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38386
C10 H21 N O	43474	1	1	32352	23938	73527	39503	20275	34011	28051	1	1	28826	26578	1	32337	25978	20405	32432	29672	1	38206	29848	37741	31123	62037	33764	30356	36637	28808	36251	42395	29535	32394	25623	25056	14337
211.1931@1.2152224	1	1	1	8343	1	1	1	1	5593	1	1	4840	1	1	1	1	1	9016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
358.1975@1.2268505	1	1	1	77380	1	1	1	1	1	1	1	1	1	1	1	17492	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H39 O	1	1	1	120549	1	41029	20591	1	1	1	40611	1	1	36577	14885	1	39272	38741	1	1	42834	1	36353	1	19063	50871	48190	12618	26236	39405	1	41587	36975	1	44588	21214	23317
C19 H35 N4 S	1	28500	1	51844	1	1	1	25548	52263	1	80119	41206	1	1	1	1	22402	1	1	14195	25413	1	1	35276	21722	56923	1	1	1	1	33306	1	1	1	32175	22321	1
390.2217@1.1718526	1	1	1	56242	1	9658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
283.2501@1.205322	1	1	1	10384	1	1	1	1	7177	1	1	26715	5509	5539	1	5540	6519	1	5212	5541	5709	7821	8115	1	1	10067	6712	1	1	4745	8207	1	1	1	1	1	1
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate	218674	172236	1	31253	52713	389996	128030	31713	32464	35139	143646	167267	1	46543	77996	99942	48180	1	34030	52459	137733	154668	34792	147489	1	90199	1	31737	27964	20845	54895	1	42019	48312	54266	29785	73692
72.0578@1.2070621	14255	1	1	11470	1	1	1	1	1	1	1	1	1	1	1	1	1	10199	1	1	1	1	1	1	1	1	12141	11441	1	20649	1	1	1	1	1	1	1
288.2299@1.2060931	1	1	1	8566	1	1	1	78803	1	1	93403	1	1	1	93247	61238	66953	1	1	1	75849	1	81834	5791	1	98394	1	71076	1	8706	5245	1	1	1	1	1	69778
217.1317@1.2085047	1	1	1	18219	36455	1	1	1	20644	27592	1	1	1	1	59007	1	24119	38995	19621	1	1	1	46444	1	1	34985	1	1	1	1	1	1	1	1	1	1	1
753.5828@1.136622	1	1	1	2350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4116	1	1
589.4807@1.2091014	1	1	1	8151	9145	1	1	1	8422	1	1	1	8360	6056	1	1	1	1	9193	1	7200	1	12817	1	5168	1	1	1	1	1	1	1	1	1	1	6558	1
597.2962@1.209581	1	1	1	2102	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
556.2603@1.2105803	1	1	1	4447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Traumatic Acid + 1.2060251	174722	1	1	120753	168682	1	125506	76560	1	1	87973	1	1	1	160880	1	1	50141	1	1	1	1	89700	1	1	1	1	1	1	1	1	1	1	1	1	62825	34030
605.3773@1.2125795	1	1	1	7386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
263.1732@1.2122661	37088	1	1	23512	17574	1	1	1	24130	32122	1	30971	15769	17747	1	1	24015	1	13865	29058	1	1	1	12288	1	1	39082	1	1	22280	24182	1	1	1	1	1	1
454.2182@1.2085518	1	1	1	34876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16801	1	1	1	1	1	1	1	1	2443	1	1	1
C25 H51 N2 O S	8026	1	1	15097	1	5137	11996	9588	14885	5463	5939	1	1	1	1	1	1	19365	1	1	1	10128	1	9801	1	44268	5999	1951	1	1	9303	7229	1	8152	1	6946	19486
511.3729@1.146456	1	1	1	209510	1	1	1	1	8195	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
212.1261@1.2148358	1	1	1	23284	1	1	1	24515	1	1	1	36678	1	20508	18571	20463	17391	34190	1	1	37497	1	1	1	1	1	1	27621	1	1	24164	25767	1	1	29318	25141	18524
580.5394@1.1428959	1	9219	1	4516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
315.1142@1.2165773	1	1	1	7038	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.3563@1.2518126	1	7339	1	285797	1	1	1	1	1	1	1	1	10997	1	1	1	1	4737	4405	1	4738	1	1	1	10336	4603	1	1	1	1	6083	1	1	1	1	1	1
C32 H69 Cl2 N4 O	1	1	1	6259	1	1	46032	10935	11453	5838	3304	11571	28811	1	1	27010	1	21080	2070	1	4592	1	7422	1	1	22411	1	1	1	9296	5103	4058	1	1	23707	7027	1
348.2866@1.2424785	1	1	1	1151305	1	1	1	1	18963	16031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20164	1	1	38244	1	1	1	14491	1	1
241.0777@1.2209846	1	15887	1	9981	16072	1	1	1	1	11955	1	7514	6983	4639	1	1	1	1	1	1	1	6614	1	1	7911	4911	10808	5237	1	1	1	19489	1	1	1	1	1
465.3687@1.167341	1	1	1	16156	1	92962	1	1	32621	29735	1	1	1	1	1	1	1	1	1	24948	1	1	10704	1	1	1	14861	1	1	1	1	74039	1	63641	1	1	1
355.1843@1.2188866	1	1	1	130497	1	1	1	1	1	1	1	10624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
563.5117@1.1698952	1	1	1	21266	1	1	1	1	1	1	1	1	2885	1	1	1	1	1	1	1	1	1	3474	1	1	1	3599	1	1	1	1	1	1	1	1	1	1
481.3603@1.2252796	1	1	1	18648	1	1	7187	1	1	1	1	1	33879	1	6236	1	1	1	1	1	1	1	1	1	1	1	25732	1	1	1	1	1	1	1	1	1	1
591.3673@1.2133301	1	8223	1	22296	1	1	1	1	1	1	1	1	1	4161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4104	1	1
370.2623@1.1981906	1	22376	1	6116	118958	22882	1	1	1	14483	1	19506	1	1	77741	1	1	1	1	1	1	1	1	18183	1	1	1	23707	1	1	1	1	9026	1	17937	1	1
575.467@1.1915771	1	1	1	8029	1	1	1	1	1	1	5298	1	1	1	1	1	2145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
319.2357@1.2233151	120970	1	1	82303	154389	1	155879	1	152774	1	1	1	173608	1	118468	1	1	1	89107	1	1	127021	97753	1	1	1	1	1	1	1	1	1	1	1	1	1	132492
467.3465@1.2235736	1	1	1	34960	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
561.4509@1.2217766	1	3287	1	17104	9732	1	1	1	7081	1	1	1	7442	1	1	1	5538	1	12486	1	9857	1	17733	1	1	1	1	1	1	1	1	1	1	1	1	1	1
218.0795@1.224573	1	1	1	17024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
667.3105@1.2275715	1	1	1	1319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.1816@1.2285709	1	1	1	13541	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
253.1164@1.2295704	1	1	1	46230	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
334.2735@1.2357168	1	43398	1	255189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19413	1	1	37327	1	1	1	1	1	1	1	1	36613	1	1	1	1	23226	1
619.4978@1.2453556	1	1	1	8943	22166	1	1	1	22047	9866	1	1	1	1	1	1	6260	9108	1	1	1	1	1	1	1	41789	1	1	1	1	5043	1	1	1	1	1	1
C11 H22 N5	1	1	1	61159	65586	1	1	1	51824	1	55376	58910	70632	86394	60730	84078	55669	73164	63839	49306	88877	59172	1	49300	46945	58072	80834	1	1	59733	40674	62473	1	42956	60677	1	65697
569.414@1.2335682	1	1	1	88401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
539.1546@1.1842681	1	1	1	2730	1	1	1	1	1	6318	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
583.4329@1.2355671	1	1	1	17820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
625.3179@1.2355671	1	1	1	6798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
547.424@1.2406616	1	1	1	10279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6618	1
C13 H18	28460	166811	1	15356	1	1	1	7670	32541	1	21267	69515	18436	16048	1	1	10125	1	1	1	1	1	1	21455	12360	1	1	1	1	1	1	1	18144	45441	12625	11202	1
C27 H51 N O S	1	188903	1	438861	233353	1	1	81580	149854	125008	66194	171709	208371	468945	123399	172611	271472	83596	329471	113796	308981	124234	542555	157453	335377	116540	226375	104688	92916	191567	134231	131523	97080	224645	125972	173251	82327
555.3986@1.2331325	1	1	1	140637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26925	1	1	1	1	1	1	7705	8020	11106	1	13931	1	1	1	12558	1	1
320.256@1.2405646	1	1	1	309685	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
669.5392@1.2523869	1	11782	1	11314	1	1	1	1	29318	1	4185	1	1	9877	1	1	1	1	1	1	1	1	1	1	1	11525	1	1	1	1	1	1	1	1	1	1	1
634.9694@1.244164	3668	3592	1	2935	1	1	1	1	1	1	1	1	6020	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1508	1	2813
148.1245@1.2440722	1	1	1	25264	44104	1	1	1	1	20857	38971	1	1	1	28092	1	23071	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23979	1	1	1
541.3822@1.2417132	1	9911	1	191939	10281	1	13853	1	1	1	1	1	9823	9392	1	6983	7378	1	9779	1	1	6988	1	7566	1	1	1	1	1	10157	1	1	1	1	8503	1	1
341.2923@1.242462	1	18828	1	31253	1	17784	30917	28140	95005	1	1	21956	1	16028	13548	1	1	44197	1	23627	1	23241	22149	24858	26954	57986	28824	23677	16874	21747	1	18485	14896	17010	1	1	22449
239.0618@1.2527963	1	1	1	4773	1	1	1	1	5330	3959	14826	1	8288	1	1	4666	13586	11404	3662	1	1	1	9761	1	17523	1	5713	1	1	1	1	1	1	1	1	1	1
655.5235@1.2496574	1	1	1	16293	12742	1	1	1	16766	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13085	1	1	1	1	1	1	1
624.3135@1.2184843	1	1	1	9566	1	1	1	1	7840	1	1	1	1	6438	1	1	4330	1	1	1	1	1	9934	1	22362	1	1	1	1	1	1	1	1	1	1	1	1
663.5023@1.2410758	11662	1	1	5604	1	1	6624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7072
435.3581@1.2375822	1	1	1	6164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37640	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
605.3438@1.2457253	1	1	1	24788	1	1	1	1	6254	1	1	1	1	7786	1	1	1	1	1	1	1	1	9965	1	11995	1	1	1	1	1	1	11545	1	1	1	1	1
C21 H48 N3 S2	1	138954	1	429291	1	1	1	1	1	3925	1	1	120939	6802	1	1	8530	1	5930	1	9444	3824	9653	1	4446	1	1	58711	1	3792	1	1	1	142911	1	1	4008
262.2295@1.234778	8985	1	1	3128	1	1	1	1	1	1	1	1	1	41680	1	1	1	1	1	1	1	1	58320	1	1	1	10258	1	1	1	1	1	1	1	1	1	33510
434.2769@1.2457054	1	1	1	14511	1	7476	45578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42660	1	1	1	1	1	4672	1	1	1	1	1	1	1	1
399.2116@1.2495598	1	1	1	34523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
613.4411@1.2505592	1	1	1	56935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
535.4084@1.1746217	11194	40867	1	15205	1	1	42028	1	1	18430	1	1	1	9863	6186	13841	1	21284	1	18792	1	12081	1	1	1	27518	1	39138	1	1	1	16426	1	37433	10343	8856	26433
647.4614@1.1997017	78024	1	1	7663	13242	1	1	1	1	1	1	1	1	1	1	1	1	1	15869	1	1	1	1	1	1	1	1	1	8012	1	1	1	1	1	1	1	1
429.3921@1.2509304	1	1	1	8072	1	1	1	1	1	5881	5302	1	1	1	6152	1	1	10002	5899	6735	1	1	1	6846	6305	15244	6675	1	1	9921	5581	1	1	4679	7172	10693	14162
519.404@1.2481128	1	1	1	24953	1	1	1	19013	1	1	1	1	1	1	1	1	1	1	1	1	32949	1	36263	1	1	1	1	1	1	1	15088	1	1	1	8596	1	1
607.5384@1.2531333	1	1	1	12304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1996	1	1	1	1	1	1
599.4247@1.2512248	1	1	1	75987	1	1	1	1	1	1	1	1	11396	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
467.346@1.2525581	1	1	1	51593	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
494.3587@1.2525581	1	1	1	4844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H23 N2 O	1	1	1	18802	1	158833	59916	18508	23283	1	1	1	69079	37020	57991	22620	24782	21260	31964	31480	52877	31742	20024	33220	36549	47420	34396	1	32127	21742	38179	1	1	29382	35509	15970	30817
570.2727@1.2968936	1	1	1	94195	1	1	1	1	1	1	1	36649	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.3401@1.2536316	1	44164	1	1273612	63519	1	1	1	1	55346	1	1	1	40591	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73503	1	1	24922	1	1	1
444.2741@1.2525581	1	1	1	3818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
535.4774@1.2535576	1	1	1	1587	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
430.3103@1.2563921	1	1	1	4491	1	1	5853	1	1	1	1	1	1	1	1	1	5642	1	1	1	1	1	1	1	18630	1	1	1	1	1	1	1	1	1	1	1	1
288.1936@1.2531174	33240	1	1	25585	1	1	1	1	38886	1	1	1	1	1	55299	1	1	47210	1	1	1	1	31035	1	1	1	1	1	1	49228	1	1	1	1	1	1	1
C25 H49 N O4 S2	27343	14086	1	35523	37705	23721	36726	19187	36841	45142	32226	37089	42671	40446	26725	37667	30460	19430	25483	26894	28351	50408	40119	45064	29775	24199	27927	12536	25482	29065	57007	24115	18944	18288	48651	26438	20867
620.3654@1.254557	1	1	1	7207	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
253.1168@1.254557	1	1	1	32998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
610.2965@1.2525002	1	1	1	19402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8928	1	1	1	1	1	1	1	1	1	1	1929	1
307.234@1.2520418	11131	15834	1	12758	11787	18235	11039	1	1	18371	1	13009	21426	1	9673	16949	13887	17605	11860	10422	17413	22984	1	10621	29673	1	10550	20149	6441	1	10111	21687	1	1	17860	1	1
378.2977@1.254557	1	1	1	1480480	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
637.3201@1.2555566	1	1	1	3433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-Glucosyldihydrosphingosine	42360	202160	1	273042	450008	324236	362266	257215	261075	156138	1	415956	635782	468721	258751	276256	274463	414830	261428	137077	499395	1	252157	279483	769710	205304	194663	335127	136068	194311	274819	208328	373737	407742	362889	259819	220487
C11 H20 N2 O	30933	50166	1	154917	1	1	29107	1	1	28883	1	71659	112106	26871	88746	22917	119668	19519	23181	1	74768	1	142290	1	23927	51974	25936	123911	26369	21631	36658	31496	90405	1	22163	23071	143292
583.4676@1.2291313	1	39320	1	16584	1	1	1	1	9340	1	1	20615	1	1	1	1	16512	10259	1	15660	16791	17694	1	10751	21201	1	1	14399	1	1	1	1	1	1	1	15347	1
513.3669@1.2316927	81685	1	1	21494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14643	1	1	1	1	9817	1	1	1	1	1	17737	1	1
206.1617@1.255287	1	1	1	175745	1	1	1	156530	178035	157425	1	1	1	1	1	221029	1	200207	1	240515	1	1	145316	1	1	210041	1	1	1	209156	1	254451	1	1	1	157391	251212
623.4855@1.1930711	1	1	1	5607	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
357.3252@1.2555238	1	1	1	3115	1	1	1	1	1	23680	1	1	1	1	1	1	1	1	1670	1	1	1	1	1	1	5063	1	1	1	1	1	1	1	1	1	1	2481
534.4762@1.2564228	1	1	1	3197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1796	1	1	1	1	5232	1	1	1	1	1	1	1	1	1	1	1
C10 H22 N3 O4	101122	130280	1	92032	1	268995	168963	1	1	83004	1	116861	114577	1	152504	92545	63507	111216	92353	1	1	1	1	94648	62147	152487	1	76007	115912	110104	89486	1	1	82675	1	1	1
681.5971@1.2565559	1	1	1	5087	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
732.6007@1.2573819	1	1	1	5816	1	1	1	1	51441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	123466	17944	1	1	1	1	1	1	1	1	1	1
253.2386@1.2571551	1	1	1	9357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4970	1	1	1	1	1	6116	1	1	1	1	4117	1	1	1	1	1	1	1
297.1426@1.2565559	1	1	1	186869	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
474.3467@1.2555287	1	1	1	35637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H29 N5 O2 S	43349	30962	1	29153	1	80409	197493	108555	117768	86078	160915	16607	1	1	43236	40612	1	100047	1	1	1	1	1	38389	86569	123382	1	38727	39126	48027	94662	33525	34713	31864	26254	1	55285
C23 H33 N2 O4	70836	21374	1	11262	97659	6564	1	60200	16669	1	36591	7728	1	27167	1	27156	27530	36402	26116	1	1	51627	28500	1	60548	1	65029	14848	1	4050	21076	16525	10935	53465	36284	1	21992
762.6405@1.2565559	1	1	1	6396	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
704.6402@1.2579476	1	5042	1	22636	1	1	1	1	1	2382	1	1	1	1	1	1	1	1	10022	1	1	1	1	1	1	1	6025	6689	1	1	1	1	1	1	4106	1	1
544.4953@1.2564434	1	1	1	12254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3719	1	1	1	1	1	5248	1	1	1	1	6413	1	7556
364.2824@1.2566314	1	1	1	2229324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	154114	1	1	1	1	1	1
553.4167@1.2574531	1	1	1	13657	1	1	1	1	1	5879	1	1	1	6198	1	1	2553	1	1	1	28222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
754.5916@1.2575555	1	1	1	7994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
363.2672@1.2610964	1	1	1	53103	124181	1	1	1	1	1	77355	1	1	1	1	38117	1	50706	1	1	1	1	36363	1	1	1	1	1	1	4552	1	1	1	1	1	1	1
C16 H37 N10 O	23986	66968	1	100012	54393	72284	89310	101251	153293	88018	6640	1	49811	26224	1	99907	55201	1	112186	100662	57997	68017	1	114603	86407	359571	144653	87681	1	60689	64825	35596	1	1	89708	73280	130153
695.6179@1.2575555	1	1	1	35994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
301.1295@1.2575555	1	1	1	49263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
667.5858@1.2575555	1	1	1	30447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
718.6209@1.2576431	1	1	1	10498	7953	1	5367	1	1	1	1	1	1	1	1	11803	1	93499	4036	1	1	4754	1	1	1	1	4855	1	1	1	19465	1	1	1	1	1	1
342.1857@1.294181	1	1	1	15425	1	1	1	1	1	1	1	33106	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4468	1
455.3256@1.130869	1	1	1	27672	20765	1	31859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12961	27458	1	1	1	1	1	1	19131	13257	1	1	1	1	1
Rimantadine	9620	1	1	14146	1	1	8188	1	15434	1	1	1	9611	21899	1	8739	1	1	11126	6179	7902	6014	16394	1	1	1	13400	16388	6942	13848	11797	1	1	8277	8632	1	1
723.6509@1.2577627	1	1	1	33682	1	1	1	1	9667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8502	1	1	1	1	1	1	1	1	1	1	1	1	1
228.137@1.2588407	1	1	1	17635	1	1	1	1	1	1	1	1	116242	1	1	1	1	1	1	92643	1	1	1	1	1	1	67389	1	1	1	1	1	1	1	1	1	1
758.6124@1.2595468	1	8345	1	15174	1	1	10049	1	1	6565	1	1	1	1	1	15881	1	1	6801	8584	1	6098	1	10501	10195	1	9268	10118	1	7767	1	1	1	1	6904	7410	8566
311.2435@1.2561274	1	1	1	10756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
728.6377@1.2427264	1	1	1	11460	1	1	1	1	1	1	1	1	1	1	1	1	1	7776	1	1	1	1	1	1	5809	1	5918	1	1	1	1	1	1	1	1	1	1
C40 H79 N O S3	15550	1	1	11544	1	1	13592	1	11283	13960	1	12851	16420	13317	13337	1	11756	11821	1	9489	11432	17772	1	12237	1	14049	10835	1	9613	19029	12149	10114	1	9933	11563	13998	9291
639.5541@1.2595544	1	1	1	20294	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H25 N O3 + 1.2584482	1151271	996513	1	1287256	1963723	770010	1575595	1197614	1648731	1023262	1	847570	1764370	2657278	1188220	1577136	1283200	1544991	958718	1158246	1559793	1683547	1235089	1412614	1541444	1122069	1654076	1069843	650681	1424398	1020534	1070845	1	1289839	864820	802479	1463957
678.6275@1.2584652	1	1	1	8976	1	1	1	1	1	1	1	1	1	1	1	1	1	33129	1	1	1	1	1	1	1	52316	1	1	1	1	1	1	1	1	1	1	1
672.2771@1.2595544	1	1	1	2943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
637.5076@1.2643332	1	1	1	10514	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6775	1	1	1	1	1	1	1	1	1	1	1
651.5649@1.2569175	1	1	1	14085	5446	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
251.2238@1.2540486	1	1	1	7639	1	1	7065	1	1	8138	1	1	1	1	1	4245	5496	1	1568	1	1	1	1	1	1	8861	1	1	1	4104	1	1	1	1	5900	1	5216
661.5247@1.1980639	2971	1	1	5018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
313.26@1.2598039	1	1	1	14945	24583	1	14053	23636	1	1	1	1	1	1	23401	10275	1	1	1	1	1	22264	22992	1	1	1	1	1	1	1	22757	12676	6073	14416	8955	18850	1
C8 H16 N5	1	171430	1	43313	1	152881	1	1	16451	17080	39172	1	1	20698	1	1	20555	15210	13747	16836	13088	25607	162356	20524	14338	17381	17692	21766	14696	170197	14236	21735	12029	16632	1	21477	23873
753.6299@1.238188	1	1	1	7500	1	1	1	1	11873	1	1	1	1	1	1	1	1	7830	1	1	1	1	1	1	1	1	1	3431	1	1	1	1	1	1	3871	1	1
267.1829@1.2592732	23079	26685	1	24260	1	1	1	1	30704	1	1	1	1	20967	1	1	25543	1	1	22935	1	1	1	13964	20165	34382	1	1	1	1	1	1	1	1	1	1	1
768.6181@1.259393	1	1	1	30912	6177	1	1	1	10036	1	1	1	1	1	1	8081	1	1	1	10148	1	1	1	1	18935	1	1	2985	1	1	1	1	1	1	1	1	9758
716.6035@1.2607205	1	7196	1	3956	1	1	1	3164	19327	6839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
436.3537@1.2615533	1	1	1	7280	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
586.2674@1.2615533	1	1	1	10440	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
168.1497@1.259237	1	3997	1	3896	1	1	1	1	5535	1	1	1	5117	4286	1	1	1	1	1	1	4559	5422	1	1	1	3896	1	1	6057	1	4863	1	1	1	3331	4304	1
512.41@1.2605255	1	1	1	5327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5810	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
415.2931@1.2606869	1	1	1	12496	1	1	1	1	1	1	1	1	1	1	1	1	1	13614	1	1	1	8103	1	1	1	20864	1	1	1	5138	1	1	1	1	1	1	1
762.5747@1.2615533	1	1	1	5459	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
499.3492@1.2615533	1	1	1	15088	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
556.2577@1.2625527	1	1	1	12420	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Darlingine	85669	1	1	26533	21366	1	32010	1	1	1	1	1	1	1	36643	1	14008	26409	19716	1	1	1	1	1	24685	59039	1	1	1	22951	1	1	1	1	1	23716	20253
774.6054@1.2605975	1	1	1	9834	1	1	8647	1	1	3575	1	1	1	1	1	1	1	1	1	1	1	1	1	6321	5461	1	1	1	1	1	3881	1	1	1	3077	2711	1
C10 H19 N O2	54888	100571	1	55398	47529	37277	1	26861	1	1	104071	34193	60832	57340	56824	1	56823	68728	42798	1	1	100411	57841	1	46133	59320	67766	59106	50394	45932	1	176238	1	54418	1	60080	64393
535.3369@1.259817	1	1	1	13546	1	1	11944	1	1	10075	1	5536	11592	9513	5616	6890	5375	1	1	1	1	14921	1	1	8351	1	1	1	1	4390	15776	3606	1	1	1	1	4876
333.3024@1.262628	1	13402	1	37381	1	1	1	1	1	1	20848	1	13262	1	11331	25310	1	1	13539	17510	1	22379	13750	19373	20159	1	1	17288	5983	12709	1	1	10609	1	1	23192	30295
590.4989@1.2638354	1	1	1	36676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70669	1	1	1	1	1	1	1	1	1	1	1
414.2387@1.2594384	1	1	1	6342	1	1	1	1	1	1	1	1	1	1	1	1	1	3872	1	1	1	1	1	1	1	1	1	8966	3439	1	1	1	1	5540	1	1	1
618.4937@1.267481	1	22625	1	35251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21441	49165	1	18571	1	1	1	1	1	1	1	1	17419
602.4983@1.2646847	1	10477	1	29876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17826	1	1	1	2681	1	1	1	22056	1
594.4962@1.2549039	9787	1	1	134172	1	1	51191	83197	1	1	1	16084	1	17043	1	1	38793	1	26056	1	20634	1	32403	1756	81691	346390	29390	1	23631	22576	1	14426	1	1	1	39225	82275
646.4897@1.2627954	1	1	1	11070	1	1	1	1	1	1	3287	1	1	1	1	1	1	12430	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
235.1221@1.2665142	1	1	1	16702	1	1	22988	1	1	1	1	1	17342	1	1	1	15030	1	1	1	1	1	1	1	15135	1	17840	1	1	1	1	1	1	29396	1	1	24710
425.335@1.2708368	1	1	1	161984	1	1	1	1	1	1	16438	1	1	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-Methylaminobutanal	1	1	1	15624	1	22342	1	1	15856	1	1	1	1	13205	1	12968	1	17257	1	18390	1	1	1	14685	15617	14914	15619	1	16121	16969	1	19486	13355	1	1	1	19277
351.261@1.2707629	1	7298	1	30795	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
108.0938@1.25553	1	66593	1	19617	1	1	1	1	1	22813	40077	63193	40100	25692	43273	1	28233	1	1	1	38715	66448	50319	31578	1	1	1	18167	19582	13952	1	26510	1	19286	18760	1	1
229.2023@1.2780288	1	1	1	17100	1	1	12736	1	1	1	1	1	1	9133	16905	10961	1	28361	1	1	1	1	1	1	10163	22933	15529	10835	1	1	10209	1	1	1	1	1	12445
341.1692@1.2785441	1	1	1	32294	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
170.1415@1.2788062	246649	1	1	147209	1	1	1	1	1	1	1	1	1	38762	1	1	49333	36133	1	1	1	1	1	148680	1	172672	1	24889	28461	46773	1	1	1	134817	64076	1	73281
591.3279@1.2895424	1	1	1	14846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3135	1	1	1	1	1	1	1	1	1	1	1	1	1	1
596.281@1.2920765	1	1	1	12486	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3873	1	5600	1	1	1	1	1	1	1	1	1	1	1	1
C37 H71 Cl O S	1	1	1	34060	1	1	11817	11121	18758	1	1	9641	1	1	1	17016	1	14494	10671	9748	8971	1	1	6761	7316	79734	9539	11298	1	13462	10604	1	1	1	14539	5514	11822
172.1574@1.2881988	12219	1	1	8020	8672	1	1	1	1	7976	1	1	1	8358	1	1	6528	1	8846	7866	6899	1	1	7354	6548	7114	8943	1	1	7005	22952	8396	1	1	1	6359	9126
538.4305@1.293536	1	1	1	4436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
663.4246@1.2955347	1	1	1	13388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1278.3431@1.2681668	1	43123	1	42870	1	1	42084	1	389025	1	1	43477	39607	29217	22422	1	23665	1	10971	21528	24101	49387	1	38891	1	46855	9799	1	1	46268	27025	1	1134246	51939	20728	61321	24750
583.4653@1.2670047	1	1	1	29477	22907	1	13460	1	1	1	1	18839	1	1	1	11906	1	1	1	1	1	1	1	1	1	1	1	12033	1	1	12960	9834	1	15084	14317	12429	1
586.269@1.3075281	1	1	1	4436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Lentiginosine + 1.3061546	35179	70958	1	25764	1	94856	45448	1	37158	23209	48123	51407	40148	24607	44270	1	23785	1	25816	22072	37226	49064	30707	32402	21271	1	31717	29099	26882	1	71537	129753	1	23727	25717	25743	31245
649.4068@1.309527	1	1	1	11819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
406.3282@1.309527	1	1	1	41496	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
877.8012@1.38153	1	1	1	8873	1	1	1	1	5213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
342.0267@1.310943	10184	1	1	8929	11894	1	9199	1	10261	10081	1	1	11377	8953	11405	1	1	1	5630	1	14445	1	1	1	1	1	14558	9236	1	7197	13639	1	1	1	1	1	1
257.1992@1.3194698	1	1	1	48541	30899	1	24387	15815	1	13323	1	1	19442	16858	1	31980	12049	22960	1	13862	12166	1	15225	1	33641	35726	25916	34142	1	21043	24938	30187	1	1	22656	25490	18619
489.3566@1.3159276	1	1	1	20615	1	8700	49549	12664	1	10216	1	1	1	1	1	1	1	1	1	1	1	1	32578	1	1	1	1	1	1	1	1	1	1	1	1	1	1
582.2644@1.3228173	1	1	1	9252	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8312	1	1	1	1	1	1	1	1	1	1	1	1
409.3399@1.3221968	1	1	1	194377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6541	1	1	1	1	1	5241
643.4517@1.3225199	1	1	1	29715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
577.3103@1.323317	1	1	1	11022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10875	1	1	1	1	1	1	1	1	1	1	1	1
481.3259@1.3673888	1	1	1	16321	1	1	1	1	2540	7337	1	1	7263	7863	1	10561	1	1	1	1	8865	1	9144	1	1	1	1	1	4754	4138	8079	1	1	1	1	1	1
562.4297@1.3212857	1	1	1	5559	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11207	1	1	1	1	1	1	1	1	1	1	1
635.3914@1.3245188	1	1	1	22018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.3967@1.3245188	1	1	1	24755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H23 N O3 + 1.318151	1	299901	1	486736	1	408988	1	1	692655	395169	382995	1	1	1	577802	683378	1	836792	1	1	552842	621731	1	1	1	1071864	446978	1	1	1	535349	417677	162880	1	603358	1	637087
425.165@1.3083	7655	1	1	4686	10611	1	1	1	1	1	5741	1	1	2477	1	6666	1	1	6844	1	1	1	1	1	1	14467	10218	1	6281	1	1	1	1	1	1	1	11062
497.3555@1.3325143	1	1	1	28003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
378.2976@1.3345133	1	1	1	305023	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
541.3821@1.3355126	1	1	1	44600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.4199@1.3405098	1	1	1	13385	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
166.1358@1.342041	1	1	1	67266	71733	1	1	1	22838	1	1	1	1	69357	43166	55012	1	79880	48505	46665	1	48342	1	1	53725	1	78006	53572	48223	15081	1	1	1	1	56606	63450	68259
599.4601@1.2773738	1	1	1	23545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6424	1	1	1	1	1	1	1	1	1	1	1	1
1349.362@1.3418214	7092	66373	1	94643	1	1	109532	1	1	1	339853	34226	1	1	39915	57182	77014	1	32008	1	80037	1	1	48263	28921	20191	36425	23308	20155	33401	49238	29419	1	101255	1	1	28297
1354.3593@1.341662	1	1	1	7075	1	86725	1	1	66742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5709	1	1
177.0997@1.3369536	19851	1	1	20885	1	1	1	1	1	1	22804	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22652	1
408.3086@1.3409842	1	1	1	41163	1	1	1	1	1	1	1	1	1	1	1	1	103610	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48192
425.3351@1.3417296	4459	30141	1	1820679	54360	1	7673	1	1	1	1	1	7835	4164	1	1	1	1	1	1	1	1	5773	1	7807	1	1	24535	1	17934	65408	1	1	1	6770	1	1
363.2272@1.3524492	1	11591	1	13221	1	1	1	1	1	1	1	1	1	15340	1	4357	1	1	1	1	1	1	5198	1	1	1	1	11186	1	6754	15893	1	1	1	1	1	1
284.1239@1.3472232	1	15717	1	23527	1	1	1	15878	15461	1	1	1	1	8029	1	1	1	1	15516	1	1	1	1	1	22958	1	1	1	1	1	17345	1	1	1	1	1	1
244.2457@1.3450372	1	1	1	4855	3314	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1552	1	2505	1	1943	1	1	3279	1	1	1	1	1	1	1	1931	1
412.1748@1.3447992	1	1	1	4799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10654	1	1	1	1	1	1	1	1	1	1	1	1
288.0564@1.3477545	2839	1	1	2327	4404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
211.1572@1.348179	1	164140	1	526449	1	1	226927	1	206166	1	1	157488	1	1	1	1	269357	1	1	1	1	1	1	1	354793	1	1	418630	1	161635	1	446896	1	178220	1	1	1
364.2822@1.3485054	1	1	1	526172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
629.4347@1.3495048	1	1	1	43481	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
625.4837@1.335231	1	1	1	14957	7411	1	1	1	14650	1	1	1	1	1	1	1	1	1	1	1	1	29668	1	1	1	1	11695	3876	1	1	1	1	1	1	1	3679	1
563.295@1.3525032	1	1	1	7839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
341.17@1.3535025	1	1	1	11783	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
568.2504@1.3562881	1	1	1	5626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5749	1	1	1	1	1	1	1	1	1	1	1	1
450.3453@1.3702192	1	1	1	10844	21958	1	7223	1	6337	1	1	1	1	14983	1	1	6081	1	9234	1	7173	1	11185	1	5652	1	1	1	1	1	1	1	1	1	1	7583	1
553.4547@1.368494	1	1	1	30743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
439.3146@1.3663198	1	1	1	24241	11157	1	1	1	1	1	1	1	12509	8780	1	5820	7396	1	1	1	1	1	1	7436	7557	1	11267	1	1	1	1	7251	1	1	12166	1	1
N-hexanoyl-L-Homoserine lactone	1	16248	1	26247	23650	20352	1	1	24027	22793	32807	9779	17273	1	33322	1	20240	21004	1	17641	16010	23871	1	29306	1	28424	24607	17926	1	22707	23419	17761	1	1	30325	18774	20820
134.0944@1.3829017	1	1	1	83263	1	1	1	1	1	83702	1	1	1	136433	1	1	95662	78236	35121	1	132589	1	79093	10222	1	1	1	63518	1	1	1	1	1	1	15522	1	1
241.1681@1.325542	1	1	1	21067	1	15176	1	27922	22633	1	1	1	1	23145	1	18367	1	16296	13193	1	24427	1	1	1	1	1	1	1	1	1	24381	1	1	1	1	27223	23195
398.1554@1.3935055	1	1	1	13689	1	1	1	1	10554	1	1	1	1	5581	1	1	1	1	1	5559	1	1	1	1	30080	1	1	1	1	1	1	1	1	1	1	1	1
613.4397@1.39348	1	1	1	10148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.2845@1.3944793	1	1	1	11449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
509.4291@1.3954787	1	1	1	14886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
437.2681@1.4600189	1	1	1	1935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
436.3299@1.3934634	1	1	1	8307	9499	1	1	1	1	1	1	1	3801	8350	1	1	1	1	1	1	6459	1	9626	1	1	1	1	1	1	4424	1	1	1	1	1	3623	1
581.4497@1.3949937	1	1	1	7819	4737	2283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
554.2338@1.397335	1	1	1	7732	1	1	1	1	3835	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14173	1	1	1	1	1	1	1	1	1	1	1	1
549.2788@1.4002497	1	1	1	9942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16856	1	1	1	1	1	1	1	1	1	1	1	1
453.448@1.4004759	1	1	1	1952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
695.589@1.4014752	1	1	1	7278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
599.4265@1.4024748	1	1	1	31491	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
187.157@1.3997211	1	1	1	35254	1	1	41036	1	1	35295	40389	1	1	1	1	1	1	1	1	46684	1	1	1	32094	1	1	1	1	1	5018	1	1	1	1	1	1	1
381.2375@1.4058151	1	1	1	13086	1	1	10290	1	1	9472	1	1	1	1	1	8446	8904	1	1	1	1	1	1	1	1	7200	1	1	1	1	1	9292	1	1	1	1	1
256.0925@1.4136016	1	15376	1	17246	1	16557	20158	1	6549	1	1	1	1	1	1	1	1	1	1	1	1	1	7595	24429	1	1	1	1	1	1	1	1	1	1	1	1	1
641.5078@1.4044735	1	1	1	30350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.3972@1.3876266	1	1	1	45363	1	1	1	1	1	1	1	1	1	25066	1	1	1	1	21376	1	1	1	27646	1	1	1	1	1	1	1	1	1	1	1	1	1	1
585.4092@1.4114695	1	1	1	35823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
556.4428@1.4134685	1	1	1	8495	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
483.3763@1.417466	1	1	1	75602	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
417.3043@1.4214638	1	1	1	3509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
707.4497@1.4264609	1	1	1	15792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
613.4756@1.4264609	1	1	1	33529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.1621@1.4330848	54640	1	1	41727	64827	1	1	63521	1	1	1	1	1	1	107561	1	1	1	87086	1	1	1	1	1	57550	1	97183	1	1	1	1	1	1	1	1	48108	1
87.0321@1.4334568	1	1	1	6564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
171.051@1.4344561	1	1	1	10017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
453.3662@1.435163	1	1	1	515603	1	1	1	1	1	11591	1	1	1	16932	1	1	17770	1	1	1	1	1	23712	10445	1	1	1	1	1	1	28204	9369	1	1	1	1	28314
Otonecine + 1.4471529	1	1	1	32913	64955	51787	35140	30297	1	1	1	1	1	1	49945	1	71418	47301	28210	1	12125	1	50085	33490	45429	49854	67251	50943	1	1	1	1	1	1	30291	38378	1
687.4778@1.4394534	1	1	1	12093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
238.1415@1.4424515	1	1	1	226993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
266.1368@1.4444505	1	1	1	3026347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
781.6421@1.4440262	1	1	1	7701	3472	1	2901	1	5053	1	1	1	1	1	1	1861	1	3687	1	1	3304	1	1	1	2483	1	1	1	1330	1	1	1	1	1	1	5127	1
651.5678@1.4464493	1	1	1	2985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.436@1.4464493	1	1	1	10371	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
439.3507@1.4377046	1	1	1	757227	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16236	1	1	1	1	1	1	1	25234	1	1	1	1	1	15680
535.2623@1.4553103	1	1	1	10893	1	1	1	1	13382	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11794	1	1	1	1	1	1	1	1	1	1	1	1
379.1855@1.458312	1	1	1	7097	1	1	1	1	13267	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17816	1	1	1	1	1	1	1	1	1	1	1	1
540.2192@1.4581966	1	1	1	5314	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7929	1	1	1	1	1	1	1	1	1	1	1	1
208.0952@1.4979203	1	1	1	98574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
102.0316@1.4594417	1	1	1	16357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.1521@1.4592642	1	1	1	262067	173506	1	136774	1	1	1	1	29506	1	26457	1	199142	27373	1	154053	1	1	1	1	1	143993	1	113369	1	23342	1	33046	1	1	1	155593	152298	127788
571.3941@1.4624399	1	1	1	18430	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
480.3627@1.4644387	1	1	1	3813	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
408.2979@1.461066	1	1	1	37161	12871	1	1	1	3914	1	1	1	1	8868	1	1	1	1	5041	1	1	1	5802	1	1	1	1	1	1	1	3649	1	1	1	1	3711	1
497.3926@1.4435586	1	1	1	557823	1	1	1	1	1	17107	6882	1	1	1	1	1	1	1	1	1	1	1	1	10182	1	1	1	1	1	1	33116	9458	1	1	1	1	25325
657.4706@1.470435	1	1	1	14702	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
425.3346@1.4684346	1	1	1	1542219	63046	1	1	1	1	1	1	1	1	1	1	13522	77578	1	1	1	1	1	21350	1	15258	1	1	26651	1	12693	45383	1	1	7250	13889	1	1
C14 H26 N O2 S2	1	1	1	12774	33827	11987	1	1	1	11059	35248	1	17507	17341	1	23961	29216	1	16607	11808	1	1	22860	25783	13709	15655	26608	18987	26129	1	15223	12114	1	10728	1	1	1
679.4184@1.472434	1	1	1	17315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
673.4628@1.4744328	1	1	1	23038	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
401.2776@1.5161865	1	93547	1	7607	1	1	1	1	1	1	1	1	1	8874	1	1	1	1	8903	1	6705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
595.5008@1.4894239	1	1	1	15841	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
487.2629@1.5024161	1	1	1	3745	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
629.435@1.5064137	1	1	1	40149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
483.3768@1.5017468	1	1	1	739536	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33755	1	1	1	1	1	20592
625.4768@1.5113935	1	1	1	6154	1	1	1	1	6123	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6716	1	1	1	1	1	1	1	1	1	1
567.4704@1.5132599	1	1	1	19657	1	1	1	1	27046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25094	1	1	1	1	1	1	1	1	1	1	1
292.0922@1.5473462	2313	1	1	11114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18218	1	1	1	1	18617	1	7681	2724	1	1	1	26253	1	1	1
521.2478@1.5226351	1	1	1	10386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17568	1	1	1	1	1	1	1	1	1	1	1	1
526.2024@1.523284	1	1	1	10594	1	1	1	1	4431	1	1	1	1	1	1	1	1	1	1	3305	1	1	1	1	19294	1	1	1	1	1	1	1	1	1	1	1	1
230.0768@1.5333976	1	1	1	121894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
410.3149@1.5409608	1	1	1	9996	17769	1	14103	4846	13267	1	1	1	1	16175	1	1	1	1	8557	1	10800	12178	11459	13301	10551	1	1	1	1	7860	12482	1	1	1	1	6220	1
C36 H31 N2 O	1	2043	1	4641	1	2843	1	1	6006	1	3155	1	3304	4334	6400	4746	5180	1	4001	1	3113	1	5374	4020	1	1	1	4147	1	5585	7327	3953	1	1	1	1	1
276.0671@1.5353363	1	1	1	15638	1	1	1	1	1	1	1	46801	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
370.1237@1.5485263	1	1	1	19613	1	1	1	1	13017	1	1	1	1	1	1	1	1	1	1	8097	1	1	1	1	39090	1	1	1	1	1	3307	1	1	1	1	1	1
472.3685@1.5433915	1	1	1	8256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
365.1688@1.5453415	1	1	1	16169	1	1	1	1	8065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21576	1	1	1	1	1	5548	1	1	1	1	1	1
469.3607@1.5391965	1	1	1	1121662	35811	1	1	1	25382	1	1	1	1	1	1	1	70913	1	1	1	1	1	1	1	1	1	1	1	1	1	41475	1	1	1	1	1	32677
461.3858@1.556503	20780	1	1	6450	46963	1	1	1	1	1	1	1	1	1	18720	1	1	2805	1	1	1	1	5181	1	1	26533	43193	1	1	8381	1	1	1	1	1	1	1
435.1891@1.5605835	6198	1	1	4659	1	1	1	1	1	1	1	3945	6445	1	1	1	1	1	1	1	1	1	1	2419	1	1	1	1	1	1	1	1	1	1803	1	1	1
468.2289@1.5610058	6054	1	1	4290	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2927	1	1	1	1	1	1	1	1	1	1663
C13 H21 Cl N11 O S	8219	1	1	8177	1	1	5897	1	1	4736	1	6161	10336	1	5246	1	3758	1	1	1	6773	1	1	5970	3797	4960	1	1	4600	5577	1	7038	1	3605	1	1	1
471.3669@1.5603812	1	1	1	55982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
626.2528@1.5591824	1	1	1	2922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3454	1	1	1	1	1	1	1	1	1	1	1	1	1
583.4656@1.4853209	1	1	1	87470	1	1	1	1	1	1	1	1	1	13879	1	17653	1	1	1	1	1	1	15591	1	1	1	1	1	1	1	20063	1	1	1	1	1	1
344.1277@1.5752772	10412	1	1	7239	1	1	1	1	1	1	1	1	9770	1	1	1	1	1	1	1	12552	1	1	4131	4223	17204	1	1	3774	17039	1	1	1	1	1	1	7504
C25 H23 O	15153	1	1	12725	1	6335	10268	8265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8483	1	7712	1	1	1	1	1	1	1	1	1	4517	9379
511.408@1.5723598	1	1	1	95663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20974	1	1	1	1	1	1	1	1	1	1	1	1	1	1
765.5008@1.575372	1	1	1	13072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
685.5347@1.5763713	1	1	1	16516	1	1	1	1	1	1	1	1	1	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-Oxo-9-methylthiononanoic acid	89292	1	1	80851	51632	1	75004	55335	1	1	1	1	1	1	18838	48455	1	25204	24321	1	1	1	1	1	45546	69405	1	1	1	1	1	1	1	1	1	51011	78740
381.1821@1.5783701	1	1	1	3365	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
332.1451@1.5803689	1	1	1	34247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H11 O7 S	1	95358	1	25482	1	33279	49124	1	111863	9835	79470	52796	40186	1	1	1	30030	1	1	287299	53240	1	19998	100233	16239	1	1	34668	54941	1	29631	136833	55148	252696	52307	32743	1
C14 H35 N4 O S2	1	1	1	29877	1	1	1	1	28195	1	1	1	34265	19617	1	19339	1	1	19483	1	1	1	36334	30443	32297	1	29284	1	22225	9523	35329	1	15995	6929	37000	19197	18366
Diethylene glycol	89268	1	1	85486	67104	156597	59473	74825	1	46911	71848	92212	57084	1	1	88059	49899	1	74096	1	58727	91761	22925	58208	50148	78325	77318	40554	39395	103921	64362	1	1	58278	53681	51930	47219
346.1464@1.5908276	5326	1	1	5381	1	1	1	1	1	1	1	1	6715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
326.1756@1.5946171	17047	1	1	37404	63431	14043	1	17090	1	15163	80060	1	10801	1	1	53786	1	1	1	1	10033	1	1	14030	18851	32624	1	1	1	22891	56728	1	1	1	1	13445	1
C18 H41 Cl N3 O2	1	11534	1	14341	72384	10784	14318	1	14152	8281	1	1	8940	28839	9068	9022	21176	1	18703	6569	11190	9869	25787	1	10156	1	15040	1	11650	2702	1	14261	1	6612	9949	1	9711
314.1853@1.5873647	1	1	1	17797	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
429.2206@1.5683343	1	1	1	16679	1	4068	1	1	1	7689	6078	1	1	1	1	1	1	5594	1	1	1	1	1	7420	6960	7501	1	1	1	5889	11177	1	1	1	1	1	1
2-Fluoroaniline + 1.5872291	78134	1	1	78280	93936	58266	67789	61995	25703	67895	109627	1	32707	28784	1	95992	1	1	46418	1	57878	1	1	59560	62797	100047	1	1	27210	76505	97442	1	1	1	16045	61341	52453
C6 H10 S	52782	1	1	62991	60551	34527	43425	36842	1	42541	71798	1	1	18237	1	71369	1	1	1	1	36676	1	1	55346	42022	59962	1	1	16944	54269	57421	1	1	1	20801	39920	36634
Dimethametryn	148506	1	1	143949	189233	95308	132984	126589	1	110675	225501	1	48933	55596	1	204121	1	1	70983	1	101027	1	1	106726	125359	175662	1	1	1	160752	199175	1	1	1	1	131826	110228
219.1158@1.5884517	36129	1	1	38402	45875	24174	31399	1	1	31849	53342	1	17927	17256	1	49399	1	1	17265	1	27197	1	1	29517	30031	52072	1	1	1	38129	47274	1	1	1	1	31690	24081
Ferimzone + 1.587867	40360	1	1	32279	1	22483	29708	25895	11380	25260	49088	1	12891	12168	1	48476	1	1	20157	1	22856	1	1	25993	26832	37920	1	1	1	35941	41429	1	1	1	1	27738	21250
250.03@1.5917482	1	1	1	5768	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5304	1	3327	1	1	1	1	1	1	1	1	9853	1	1	1	1	1	1	1
Hemigossypol	114810	1	1	123178	100834	71521	83768	74195	24907	95922	161015	1	42738	37413	1	162100	1	28340	79808	1	84460	1	1	95196	97182	139855	1	1	32385	157009	162465	1	1	1	24523	97064	57269
C11 H18 Cl N3 O2	28260	1	1	28741	27219	17215	19814	16677	1	21073	36252	1	11635	7988	1	37589	1	7241	19432	1	17388	1	1	20557	23135	32840	1	1	1	1	40421	1	1	1	1	22283	13388
310.163@1.5913621	1	1	1	2944862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
282.1683@1.5913621	1	1	1	83544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
303.1149@1.5940907	1	1	1	4925	1	3990	1	1	1	1	1	1	1	1	1	1	1	1	4179	1	1	1	1	1	1	1	1	1	1	1	7259	1	1	1	1	1	1
392.1645@1.5925618	5102	1	1	5713	1	2694	1	1	1	1	1	1	1	1	1	8328	1	1	1	1	1	1	1	1	6771	1	1	1	1	1	8085	1	1	1	1	2997	1
387.2091@1.5924507	6995	1	1	12085	1	13971	1	7641	1	10122	19627	1	1	1	1	18432	1	1	1	1	5075	1	1	5563	11232	20424	1	1	1	9626	14022	1	1	1	1	8199	4143
497.3921@1.5936996	1	1	1	568054	1	1	1	1	1	8038	1	1	1	1	1	1	13996	1	1	1	1	1	1	1	1	1	1	10518	1	1	1	1	1	1	1	1	1
386.213@1.5925659	1	1	1	4204	8627	1	1	1	1	4473	7645	1	1	1	1	1	1	1	1	1	3008	1	1	1	1	8380	1	1	1	6562	8043	1	1	1	1	3948	1
304.1129@1.5953592	1	1	1	10850	1	1	1	1	1	7562	7948	1	3033	1	1	12703	1	1	7786	1	1	1	1	5888	8572	8801	1	1	1	10187	12145	1	1	1	1	6804	1
192.0906@1.6193079	1	1	1	27140	39192	1	37954	1	1	1	1	1	1	52881	1	1	1	1	1	1	1	1	36814	23561	31570	1	1	1	43297	1	20610	31461	1	36489	1	42171	1
C45 H73 N2 O4 S	27571	97303	1	31357	1	2693	1	1	1	30986	1	56856	40994	296479	19739	131202	128727	1	62323	33349	80641	1	356235	29088	110127	68814	1	1	1	8880	1	17743	119514	50009	1	75702	1
483.3769@1.6164244	1	1	1	819957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29720	1	1	1	1	1	1
731.5014@1.6183454	1	1	1	5095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.1513@1.6281656	1	1	1	15169	1	1	1	1	1	1	1	1	1	1	1	1	10594	1	1	1	1	1	1	1	1	1	14516	1	1	1	1	1	1	1	1	1	1
639.5282@1.6192394	1	1	1	16473	1	1	1	1	26645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13125	1	1	1	1	1	1	1	1	1	1	1	1
673.4617@1.6243417	1	1	1	23553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
697.5337@1.6266893	1	1	1	6748	1	1	1	1	20970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6767	1	1	1	1	1	1	1	1	1	1
229.0355@1.6337782	1	1	1	3852	1	1	1	1	6269	14806	9728	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.4346@1.6364667	1	1	1	90653	35240	1	1	1	1	1	1	1	1	1	1	1	32893	1	27501	1	1	1	33262	1	29436	1	21643	1	1	1	1	1	1	1	1	22876	1
264.157@1.5773755	1	1	1	28873	1	1	1	63591	1	1	1	1	1	1	1	1	1	1	1	1	51468	1	1	1	1	1	1	43411	64845	1	1	1	1	1	65447	1	1
469.361@1.6435186	1	1	1	1458235	39064	1	1	1	22022	1	1	1	1	1	1	1	79012	1	1	1	1	1	1	1	1	1	1	21762	1	1	46140	1	1	6161	1	1	29159
397.3028@1.582699	1	1	1	18729	1	1	1	1	1	1	1	1	1	1	1	1	1964	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
138.0683@1.6444519	1	1	1	57874	1	44814	70835	1	57958	55086	49715	1	1	76446	59690	71326	63826	46464	1	1	1	65007	1	1	1	1	1	1	1	59127	1	1	1	1	1	1	1
252.1212@1.6483268	1	1	1	52912	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
262.2046@1.6461	1	1	1	11338	6728	1	4226	1	1	1	3351	1	1	5192	1	1	3415	1	1	1	1	6179	8436	4364	1	1	1	1	1	3100	1	1	1	2574	1	1	3016
669.5041@1.6549903	1	1	1	5520	1	1	1	1	6973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
611.497@1.6479279	1	1	1	47512	1	18767	1	1	45785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17425	40265	48599	1	1	1	1	1	1	1	1	1	1
208.0849@1.6546024	1	1	1	49175	1	1	36971	1	31891	1	127084	1	108631	76163	1	56849	38342	1	1	1	1	1	56710	1	79786	1	1	1	1	1	1	1	1	1	1	1	1
723.444@1.6543229	1	1	1	14908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
417.9686@1.657321	1	1	1	3707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
717.488@1.6583204	1	1	1	8992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H31 N8 O2	1	81438	1	113802	80119	81825	1	51713	89647	87551	85610	1	114177	99538	1	74131	1	1	69268	75351	108711	1	1	1	85007	1	82417	39798	81607	1	1	76563	56956	1	1	1	1
382.2846@1.6673146	1	1	1	3069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
413.3017@1.6854385	1	1	1	24048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17996	1
583.4653@1.6843039	1	1	1	94661	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
260.07@1.6859753	1	1	1	2689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1354	1	1	1
C10 H16 N7 O	1	1	1	75590	1	73098	1	1	1	21664	1	21809	80585	1	1	81529	98953	42545	1	87654	95053	40858	103145	84114	1	68443	1	1	29665	52846	1	54262	1	1	33307	72659	1
174.0796@1.6859694	1	1	1	134101	96027	1	1	151046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	319940	457596	1	1	1	1	1	1	1	1	1	1
369.1824@1.6952969	1	1	1	7793	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
252.121@1.6987681	1	1	1	885808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	92148	1	1	1	1	1	1	1	1	1	1	1	1	1	1
102.0324@1.7002938	1	1	1	4184	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
234.111@1.6993961	1	1	1	542860	1	1	30519	1	1	1	1	1	1	1	1	1	1	1	1	1	38812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
569.4496@1.6175275	1	1	1	42762	1	1	1	1	1	1	1	30232	1	29476	1	1	47289	1	1	1	1	1	1	1	59266	1	34445	28733	34364	1	63768	1	1	1	1	1	1
527.4031@1.7042912	1	1	1	524265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
493.216@1.7064496	1	1	1	9639	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13408	1	1	1	1	1	1	1	1	1	1	1	1
192.0901@1.7154547	1	1	1	66287	1	1	73938	1	1	1	1	1	145233	63258	1	197496	91738	1	1	1	1	149845	37227	1	65713	1	1	1	1	1	1	38932	22921	41441	1	141142	1
498.171@1.7088614	1	1	1	12945	1	1	1	1	5432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15995	1	1	1	1	1	1	1	1	1	1	1	1
287.2099@1.7130423	14675	1	1	34539	12008	1	1	1	1	1	1	1	10542	13626	1	1	1	19222	1	1	1	1	18676	1	1	39032	1	1	1	38597	9311	1	1	1	1	1	1
C9 H8 N5 O5	19908	15736	1	8999	1	23933	27919	7278	19056	10715	12909	1	18636	7099	1	18092	13865	1	1	24651	6053	1	7194	16760	1	1	5848	1	10037	1	17692	21728	10792	10894	21201	9634	5516
382.2823@1.7172588	1	1	1	13115	32895	1	18910	8201	1	9740	1	1	1	32744	2571	1	22184	1	1	1	22711	1	18487	14424	1	1	1	1	12582	5968	1	1	1	8109	1	13790	1
372.1031@1.7277263	1	1	1	3032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7204	1	2997	1	1	4786	2937	1	1	1	1
555.4342@1.7272766	1	1	1	99153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
469.2877@1.7312734	1	1	1	13379	1	1	1	1	1	1	1	1	11533	1	1	1	1	1	1	1	1	16962	1	1	8174	1	1	1	1	1	1	1	1	1	1	1	1
731.5037@1.7322733	1	1	1	8708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
713.5294@1.7489432	1	1	1	12092	1	1	1	1	7964	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7355	1	1	1	1	1	1	1	1	1	1
C15 H28 N O3 S2	1	12075	1	13935	37471	18458	1	1	9611	15813	61819	1	24734	27672	16731	17706	33505	23606	54777	1	14205	25108	17267	22313	18537	34892	54404	22818	20309	1	17045	1	1	6456	1	1	1
C13 H28 N O2 S2	1	19781	1	20718	82377	27473	1	1	1	1	112256	1	29749	65962	40582	46269	61783	37551	77334	53508	22248	44997	58491	37255	47648	82152	98113	34110	29813	1	28786	1	1	1	1	17960	1
514.3909@1.7462642	1	1	1	237917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
449.2987@1.7438067	1	1	1	16285	1	1	5600	1	6294	1	8889	1	5678	9516	1	16244	1	1	9247	1	9200	9183	8449	8085	1	1	1	1	7240	1	12822	1	1	1	17567	6530	1
296.1472@1.7492623	1	1	1	192625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
230.0698@1.7612622	63006	1	1	38101	91472	1	14551	1	1	1	23466	1	12860	1	1	1	10280	1	1	1	1	22181	1	1	19003	34691	28832	1	1	1	1	1	1	1	1	1	1
541.4189@1.751739	1	1	1	519690	1	1	1	1	1	7586	1	1	1	1	1	1	11137	1	1	1	1	1	1	8234	1	1	1	1	1	1	24966	1	1	1	1	1	16865
717.4881@1.7582564	1	1	1	15314	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.4918@1.7456433	1	1	1	84967	38161	1	1	1	1	1	1	1	1	1	1	23251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H24 N2 O2	1	1	1	56129	59158	1	16300	26175	36868	27985	1	1	42538	64574	1	44534	40705	49085	29636	1	16351	26486	46770	18490	29782	96005	42275	33548	23332	13866	31353	18763	1	1	1	30487	36096
527.4032@1.7798135	1	1	1	650928	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29364	1	1	1	1	1	1
741.5599@1.7859895	1	1	1	8535	1	1	1	1	18582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
809.5244@1.7872375	1	1	1	10002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.1936@1.7957398	1	1	1	15224	30030	1	7496	1	21270	1	10285	1	15063	34162	1	16619	11867	30914	1	1	1	18653	1	1	1	45707	15367	1	1	12999	1	25170	1	1	9549	1	11359
368.2665@1.7968937	1	1	1	11646	20299	1	1	1	1	6158	1	1	1	1	1	1	1	1	12257	1	1	1	11737	1	1	7735	1	1	1	1	12648	1	1	1	1	7298	1
354.1891@1.7982304	1	1	1	21480	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.2154@1.7957125	1	1	1	640736	58224	1	1	1	1	1	1	1	41822	32471	1	1	24179	32714	1	1	1	1	42616	1	23540	51210	42023	1	1	1	1	1	1	1	1	1	1
655.5236@1.8078319	1	1	1	45288	1	21282	1	1	61782	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31265	1	30188	1	1	32523	1	1	1	1	1	14346	1
514.3908@1.81422	1	1	1	326398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
149.0476@1.8289567	15993	161761	1	63997	1	1	78054	1	1	186852	1	1	1	59791	1	12975	1	1	1	121424	1	1	1	100497	1	1	112531	65192	58422	1	82883	1	57738	1	1	1	1
641.5076@1.8242133	1	1	1	37194	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
272.0873@1.8275383	1	1	1	11120	1	1	7895	1	1	1	6817	1	1	1	1	1	1	1	1	1	8372	7450	5985	1	1	1	1	1	1	6288	1	1	1	1	1	1	3692
572.4321@1.8272113	1	1	1	13161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.2318@1.8293002	1	1	1	53538	29413	1	16944	1	17073	1	1	15852	33251	34676	1	25335	1	1	21107	1	27622	1	42533	21140	31136	19383	1	1	1	1	22640	1	1	1	17746	1	1
296.1475@1.82921	1	1	1	75867	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
455.2724@1.8326544	1	1	1	9121	4122	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3601	8350	8959	1	1	1	1	1	1	1	1	1	1	2874	1	1	1
205.1314@1.8344332	1	1	1	125964	1	26070	1	1	1	1	1	1	1	1	1	1	1	27953	1	1	1	109260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	109087
242.0769@1.8251342	18427	1	1	40257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20094	17368	1	1	29275	1	1	1	11179	1	1	1
427.2782@1.8422015	1	1	1	27984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
387.0131@1.845999	1	1	1	2277	1	1	1	1	1	1	1	1	2359	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.4919@1.850196	1	1	1	114528	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
320.9537@1.8605814	5024	1	1	7838	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5739	1
727.5811@1.8439763	1	1	1	25193	1	1	1	1	44759	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
585.4448@1.8671848	1	1	1	267441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H39 N2 S	1	31005	1	106974	1	1	35013	1	41922	32536	1	36946	69228	62411	35041	1	18203	34314	43757	33066	61705	66911	41917	48860	42798	17273	1	27892	40166	7958	62140	1	1	28940	51071	34899	1
Arg Arg Met	11386	9968	1	8948	1	1	1	8458	1	5471	3451	11480	6498	15011	6186	1	1	1	1	1	4060	1	1	1	1	1	1	7943	6275	7838	1	10411	18267	14888	6088	20469	1
130.049@1.8820833	3821	7104	1	4113	1	1	4330	1	1	7643	11553	1	6848	5208	4226	1	4569	1	1	6311	2406	7937	1	1	1	9428	7126	1	1	1	1	1	3245	5326	4783	1	1
510.9357@1.8792197	3152	1	1	4879	1	1	1	5200	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
327.2254@1.8814747	1	1	1	28951	14566	1	18468	1	1	1	1	1	27202	15019	1	14730	23355	19303	14534	17162	1	1	1	1	1	1	19722	1	1	20150	19816	22530	1	11352	1	16640	1
761.5135@1.8801761	1	1	1	5115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
425.0255@1.8844961	6830	1	1	8208	1	8614	6264	1	7087	8801	8599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7235	6680	1	1	1	5360
437.9947@1.8820764	2903	1	1	2579	1	3332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2478	1	1	1	1	1	1	1	1	1	1
C14 H5 N O3 S2	68939	21677	1	71847	66051	77447	67173	62016	23127	54060	50042	67647	67611	62799	65053	56158	63019	60464	41404	37016	35990	1	50234	54968	51839	19144	62014	50747	49897	49385	30247	70814	42208	1	41320	55138	51255
471.0311@1.8943319	6297	6099	1	8016	4695	1	1	1	1	1	1	1	1	1	1	1	1	6236	1	1	1	1	1	1	3776	1	1	5534	1	1	1	1	6848	1	1	1	1
361.9816@1.8841482	1	1	1	3304	1	4173	2536	1	7233	1	7209	1	3498	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3486	1	1	1	1	1	1	1	1	1
329.1304@1.9464681	1	1	1	3652	1	1	1	1	1	1	1	1	4061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-Leucic acid	1	28770	1	51443	1	51076	28565	31713	24322	1	1	26484	31577	28242	1	1	29204	22216	24068	20373	1	34886	20667	1	20193	24839	37586	26000	1	1	20877	20629	1	28550	1	24254	1
88.0529@1.91764	1	76337	1	141139	1	1	1	87184	1	1	1	1	1	1	1	1	68117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
259.178@1.9044304	1	1	1	31898	41415	1	1	1	1	1	1	22642	1	45588	1	30587	1	63909	1	1	1	41703	20811	1	24822	42730	1	1	1	1	1	37110	1	1	21178	16197	26204
258.0649@1.912546	1	1	1	2775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1875	1	1	1	1	1
C9 H20 N5 O	1	1	1	24216	24953	11619	23526	16968	19289	15024	1	20395	20970	25030	17363	22472	20564	23771	14695	1	1	24761	29374	18454	12294	19584	1	1	14269	14958	1	15516	10171	1	17661	17700	14365
528.1993@1.9059322	3754	5189	1	4132	1	2095	1	1	1	1	1	1	1	1	2357	3703	1	1	1	1	1	1	3884	1	1	1	3307	1	1	7509	3326	1	1	1	3523	4215	2927
415.2596@1.9122896	1	18135	1	63698	130485	1	1	1	15924	1	1	30014	63067	71634	1	1	75608	69002	19733	1	1	1	66569	1	36353	96671	94241	13404	1	1	1	1	1	1	1	23362	22170
572.4323@1.9101559	1	1	1	86131	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.5495@1.9004117	1	1	1	34524	1	22124	1	1	70112	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
340.1041@1.9247781	1	1	1	4337	1	1	1	1	1	4760	10011	1	1	1	1	1	1	5318	1	1	1	1	1	24000	1	1	1	1	1	1	1	1	1	3943	1	1	1
481.3069@1.9341396	1	1	1	6598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
585.445@1.935073	1	1	1	426939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24258	1	1	1	1	1	15726
427.278@1.9371376	1	1	1	19289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N-Methyl-2-pyrrolidinone	1	1	1	1121674	1	1	1268447	658321	1	1741624	1778032	1157777	1896512	1	851536	892080	841911	1	1018276	2665912	826992	1	1031040	1370759	857890	1494005	1	1275198	1	1	1	1	1	833160	1	1183284	2270862
268.1524@1.944696	1	26803	1	53837	1	1	1	1	31010	28543	1	30774	41557	41279	24286	1	32802	22475	19876	33619	1	1	55600	1	1	1	1	30512	24950	1	1	1	1	1	1	4148	1
441.2577@1.9591228	1	1	1	8870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
278.1378@1.9681165	1	1	1	28018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
313.1777@1.9809434	1	10794	1	209590	1	1	1	1	1	1	1	19296	1	14077	1	1	1	13858	1	1	12944	1	1	1	14766	1	1	1	1	1	13858	13490	1	1	1	4956	1
572.4326@1.9711145	1	1	1	160896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
133.0742@1.9811077	1	1	1	26355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
289.0639@1.9861042	1	1	1	4963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
286.0952@1.9945387	8399	1	1	9436	14446	1	1	8353	1	1	1	1	3864	1	11798	6053	4367	1	20521	1	1	1	1	1	27091	23043	8259	1	5442	1	1	1	1	1	1	1	1
493.3261@2.0016925	1	1	1	14616	1	1	1	1	1	1	1	3243	1	1	1	8092	1	1	8836	1	1	3718	12664	1	7131	2481	1	1	1	1	9335	1	1	1	1	1	1
242.0773@2.0000947	1	1	1	7492	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
557.4138@2.001452	1	1	1	1220795	1	1	14341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40079
357.1995@2.0100877	1	1	1	69520	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
478.0817@2.0218241	1	22261	1	5325	1	1	1	1	1	1	1	1	12920	1	1	24087	26335	1	1	1	1	1	18309	1	23714	20171	59152	1	1	1	1	1	16659	19085	15578	1	1
152.0333@2.018178	1	223124	1	116099	239500	1	1	1	128300	1	91175	1	238068	83552	144459	324032	332885	1	1	1	111267	1	238654	1	339339	304751	964231	1	1	1	1	1	208277	255452	205783	1	1
630.1155@2.0194001	1	353395	1	93419	194518	1	1	1	64283	1	21165	1	186750	48200	100043	394278	381598	1	1	1	100358	1	274732	1	343857	305093	863530	1	1	1	1	1	235888	282954	230466	1	1
274.1391@2.0863335	1	254127	1	8089	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
296.1832@2.0489159	1	1	1	242617	16835	1	1	73581	13623	13343	18532	172938	213523	15980	1	1	177649	1	142297	1	206854	15466	13870	13546	1	1	14975	1	11061	1	186827	13615	1	1	204180	188579	1
671.518@1.9807191	1	1	1	58318	1	1	1	1	1	1	1	21676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
673.5222@2.0590537	1	1	1	5627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
415.2415@2.057656	1	1	1	310363	50306	1	1	1	1	1	1	1	26715	28259	1	1	19647	28956	1	1	1	49337	31530	1	1	53246	35178	1	1	1	1	1	1	1	1	1	1
214.168@2.075536	1	1	1	10039	16440	1	1	1	1	9635	10047	1	1	1	1	1	1	1	1	20745	1	1	1	15541	1	15627	1	1	1	1	1	1	1	1	1	1	1
471.3036@2.0770414	1	1	1	27641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
429.2596@2.0980265	1	1	1	16900	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
188.1158@2.1060212	1	1	1	50520	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
386.2706@2.129875	1	1	1	33022	1	1	1	1	1	1	1	1	24952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.9918@2.1330225	1	1	1	28742	7289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19272	1	1	1	1	1	23830	1	1	1	1	1	1	1	13581	58936	1
629.471@2.151001	1	1	1	402047	1	1	6173	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13920	1	1	26935	1	1	1	1	1	8028
376.1157@2.1620486	5063	16689	1	9805	4918	1	22541	1	1	11302	1	1	1	1	1	1	8383	1	1	23094	1	8747	1	23750	1	3472	1	1	1	1	9844	13545	1	1	1	1	1
C13 H19 N11 O6 S	1	6191	1	45273	1	25868	1	1	30379	1	1	1	29497	44648	17710	38063	44391	19282	1	1	24314	1	38304	1	13829	1	1	24628	1	1	43317	57949	22686	1	1	22426	1
335.1262@2.1589305	33271	1	1	22581	2823	1	54121	1	1	1	1	1	1	1	1	1	1	1	1	32424	1	10545	1	31804	1	1	1	1	1	1	1	20155	1	1	1	1	1
519.1412@2.158373	14056	1	1	12149	1	1	2559	1	1	1	14251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7716	1
407.053@2.1597986	1	1	1	3426	1	3148	1	1	1	3859	1	1	1	1	1	1	3609	2803	1	1	1	2254	3425	1	1	1	1	1	1	1	3741	1	1	1	1	1	1
518.1439@2.1615062	1	1	1	7335	1	1	10415	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8661	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
383.1598@2.1525216	1	1	1	3538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8906	1	9997	1	5238	1	2139	1	1	1	1	1	1	1	1	1	1	1
C13 H25 N4 O10	1	11577	1	24233	73740	36783	1	44460	1	14182	130295	1	99883	12764	45925	63431	15187	1	27932	12683	42388	210354	1	1	46889	15719	49261	23870	24992	1	46345	45484	15209	39076	15427	17815	26528
396.1597@2.1611571	51932	1	1	10223	1	1	1	1	1	1	1	1	41624	20084	1	26742	25067	1	1	1	17661	1	1	8735	18514	7184	21082	1	1	1	1	1	1	1	23247	1	1
207.0918@2.1646633	19848	1	1	14770	1	12478	21832	1	1	1	1	1	14206	12435	1	10066	1	13990	1	1	1	1	1	11007	1	1	1	1	9736	1	1	1	1	1	1	1	1
268.1139@2.1677113	1	1	1	8274	1	1	8710	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
471.3043@2.1729739	1	1	1	21233	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
615.4556@2.185933	1	1	1	582245	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19200	1	1	1	1	1	1	1	1	1
C22 H30 Cl	1	1	1	18832	12178	1	1	8453	1	11264	1	15423	18216	15205	1	1	12550	1	1	10795	12731	1	19466	18206	12099	10605	10980	12811	1	6464	1	12375	1	1	12108	1	1
839.5285@2.1899617	1	1	1	5029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
459.2858@2.2104244	1	1	1	95281	215619	1	1	1	23250	1	1	40793	72544	88328	1	1	109330	79082	24578	1	1	1	97863	1	43889	116385	112802	1	1	1	1	20259	1	1	1	36805	27546
427.2777@2.2199402	1	1	1	12190	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
250.04@2.2219388	1	1	1	3066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
601.4399@2.2290885	1	1	1	934877	26942	1	16063	1	30911	1	6799	1	1	1	1	1	48311	1	1	1	1	1	1	1	1	1	1	37655	1	1	47446	1	1	1	1	1	26963
645.4476@2.2319317	1	1	1	18334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
335.2667@2.2509181	1	1	1	5685	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
334.88@2.2315369	2546	1	1	1998	1	1	2542	1	1	2696	1	2332	2133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
715.5444@2.2526827	1	1	1	102183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24261
329.2043@2.2817461	1	1	1	16883	1	1	1	1	1	10610	1	1	14231	10331	1	1	1	1	1	10051	13936	1	12937	1	10254	1	1	1	1	1	10646	9406	1	1	8911	1	1
387.1893@2.2850177	1	1	1	9531	5593	1	15202	1	9375	1	18099	7807	16455	4938	8901	11343	1	8720	1	1	4918	1	8171	1	20701	10162	24241	1	1	23882	4563	1	1	4911	1	1	1
202.1006@2.2858927	1	1	1	30516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
220.1311@2.2868922	1	1	1	19368	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
263.1417@2.2874732	1	1	1	82229	1	1	53712	1	1	1	63169	44450	55647	1	36417	1	1	1	1	1	1	1	49886	1	25507	1	49691	1	1	1	1	1	1	20370	1	1	33599
5,6-Indolequinone-2-carboxylic acid	58683	108229	1	56641	78541	1	67202	32098	75671	64360	1	85897	1	1	46072	1	40451	34989	25144	117801	69292	107553	30803	1	22727	101926	1	62182	1	29834	58270	57589	49259	43204	23493	26714	37778
351.168@2.2923007	1	1	1	11780	1	1	1	1	1	1	1	1	7059	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1-Methoxypyrene-6,7-oxide	1	6850	1	5129	1	1	6448	1	7899	1	1	5583	1	1	1	1	1	1	1	1	5831	12610	1	1	1	10541	1	1	2375	3082	1	1	4698	1	1	1	3432
1,2-Diamino-4-nitrobenzene	1	1	1	16275	1	18508	1	1	18599	10553	18046	34776	50830	1	1	1	1	1	1	1	39132	1	1	30330	1	31696	32525	19591	15947	1	13033	1	1	1	1	1	1
401.2257@2.3188689	1	1	1	30299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
515.3306@2.340853	1	1	1	23692	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
687.5124@2.344793	1	1	1	46732	1	1	14744	1	13974	1	1	1	1	1	1	1	22017	1	1	1	1	1	24329	1	1	1	1	16537	1	6562	1	1	1	1	1	1	1
459.2676@2.3468037	1	1	1	190658	42564	1	1	1	1	1	1	1	24224	1	1	1	26609	1	1	1	1	55862	28986	1	1	38821	29158	1	1	1	1	1	1	1	1	1	1
357.2031@2.3688326	1	1	1	58798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
815.6329@2.3824825	1	1	1	35750	1	1	1	1	73065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
673.4973@2.4167976	1	1	1	193493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
307.2358@2.4197955	1	1	1	14496	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
429.2932@2.4169607	1	1	1	46153	1	1	1	1	1	1	1	21430	38442	1	1	1	1	1	1	1	1	47494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H4 N2 O	148099	31822	1	114059	237298	1	123346	177474	1	1	106493	1	29335	57524	326438	99504	60656	107918	76150	61574	1	109416	54172	1	291390	219330	417544	1	1	1	1	1	1	1	1	51036	42729
659.4818@2.4572365	1	1	1	137057	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18525	1	1	1	1	1	1
675.5037@2.4567683	1	1	1	6066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
815.6325@2.4687595	1	1	1	33831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
61.0524@2.4982994	1	1	1	15488	11469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
104.0583@2.497897	1	1	1	55122	40052	1	1	1	1	1	1	1	1	1	1	1	13836	1	1	1	1	37480	1	1	1	25353	1	1	1	1	1	1	1	1	1	1	1
659.4817@2.5107286	1	1	1	140017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
316.1317@2.5182118	1	1	1	19077	22644	1	22164	1	22515	1	1	17009	22787	1	19416	1	1	1	1	1	1	22375	1	11941	1	29790	31486	1	1	1	1	1	11480	17532	1	1	8956
309.0496@2.5433304	1	1	1	16747	1	1	1	1	1	1	1	5078	1	1	1	1	1	1	1	1	1	1	1	1	1	3282	1	1	1	1	1	1	12944	1	1	1	1
645.4659@2.5350757	1	1	1	436657	10335	1	1	1	19014	1	1	1	1	1	1	1	27663	1	1	1	1	1	1	1	1	1	1	20235	1	1	1	1	1	1	1	1	1
503.312@2.5566945	1	1	1	47252	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
152.0584@2.5641458	774451	1	1	289825	1	410189	1	1	1	455066	1	1	1	1	586262	1	1	1	345171	302652	660060	1	1	1	310286	1	534629	1	1	214639	1	1	302205	1	1	1	1
181.0951@2.5741196	1	1	1	18530	36387	1	23333	1	14148	20846	25783	29756	29550	1	1	1	12153	1	1	26266	1	50097	1	1	15564	22159	1	4566	9473	1	1	14799	25635	35709	10553	1	1
267.1127@2.5858545	1	1	1	15244	48728	19680	15779	1	34653	43002	65784	1	19666	1	26487	1	15452	1	1	30805	1	1	1	24226	12591	17374	13683	1	1	1	1	1	1	1	1	1	14230
770.5474@2.7248209	1	1	1	4179	1	1	1	1	1	1	1	1	1	1	1	1	7811	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6916	1
597.4242@2.6737275	1	1	1	5314	11319	1	1	1	1	1	1	1	2533	1	1	1	1	2604	1	1	1	1	1	1	1	1	1	1	10609	1	1	1	1	1	1	1	1
355.9334@2.7460823	1	1	1	7877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8214	1	1	8004	1	5137	1	1	2638	1	1	1	1	6899	1	1	1
415.1271@2.7244549	1	1	1	3030	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14463	1	3522	1	6441	1	1	1	1	1	1	1	3724
300.0632@2.7249336	1	1	1	22433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17998	1	125020	1	1	1	1	1	1	1	1
559.3567@2.7185738	1	1	1	24059	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
480.1262@2.7120044	1	1	1	4960	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16155	1	1	1	29408	1	1	1	1	1	1	1	1
506.1555@2.7471237	1	1	1	52508	1	1	1	74745	1	1	1	1	1	16474	3526	1	19174	1	64287	1	1	1	46592	1	118012	21194	50169	47783	45336	75932	21283	2530	1	1	16256	31745	65634
731.5396@2.7275672	1	1	1	43156	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
503.294@2.7312844	1	1	1	152272	32888	1	1	1	1	1	1	1	1	1	1	1	18513	1	1	1	1	1	30374	1	1	31329	26892	1	1	1	1	1	1	1	1	1	1
382.1085@2.7787533	122529	1	1	405963	1	1	1	367222	16749	1	1	1	1	1	1	1	1	1	1	85718	1	1	1	1	1	1	445729	1	461858	1	1	1	1	1	1351920	1	1
362.2093@2.7980185	17374	1	1	16677	1	1	1	1	1	1	1	1	1	1	1	7373	11031	1	1	1	70009	1	1	1	1	1	12767	67288	27080	1	64790	24551	1	1	8139	1	1
229.9816@2.7565453	1	1	1	2838	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
717.5233@2.7575448	1	1	1	59719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
445.2524@2.7615416	1	1	1	28131	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.1391@2.757821	1	1	1	688394	1	1	1	1	1	1	119094	1	1	1	1	320667	341621	1	1	47802	1	60521	1	1	617913	666993	579791	1	1	370155	1	1	1	201508	1	1	1
384.1423@2.7836628	1	1	1	176718	1	1	1	1	425482	1	24145	1	1	1	1	1	79562	1	1	1	1	1	128441	1	145137	151616	125448	1	1	1	1	1	63700	41290	1	1	1
84.0209@2.7788131	1	1	1	133727	1	1	1	1	54831	1	1	1	1	1	1	84312	1	1	1	1	91830	1	104404	1	1	1	89839	1	1	1	1	1	1	1	1	1	1
859.6591@2.7675095	1	1	1	36974	1	1	1	1	67418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34887	1	1	1	1	1	1	1	1	1	1	1	1
415.0954@2.7862225	1	1	1	2597	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7596	4969	5550	1	1	1	1	1	1	1	1	1	1
88.0525@2.7885213	1	1	1	74752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C38 H31	1	1	1	28847	1	1	1	1	1	1	1	1	1	3327	1	3640	1	1	4120	1	1	1	8987	3721	7738	7718	1	1	1	1	5730	1	1	1	1	1	4784
343.2029@2.7915618	1	1	1	144146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56114	1	1	1	1	1	1	17192	1	1	1
342.205@2.789239	1	1	1	28362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10434	1	1	1	1	1	1	1	1	1	1	1	1	1	1
719.5306@2.795516	1	1	1	13973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
360.1322@2.8173244	9895	1	1	12036	1	1	1	1	1	1	1	1	1	7524	8720	1	10318	8800	1	1	10943	1	9725	16169	1	27303	27074	1	1	8042	1	14790	7798	1	11516	10530	1
505.2529@2.8145018	1	1	1	2401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
401.262@2.8135748	1	1	1	28992	15497	1	1	1	1	1	1	1	1	18201	31357	7922	1	1	1	1	20483	1	17646	1	8133	1	23250	1	1	1	1	10107	1	1	1	11738	1
349.0221@2.8748507	1	1	1	7101	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3664	1	1	1	1	1	1	1	1	1	1	1	1
496.17@2.8270075	1	1	1	8653	1	1	1	1	3301	1	1	1	1	4522	1	13776	12217	1	1	1	9343	1	19332	1	11187	51966	88763	1	1	1	1	1	15787	4495	11210	1	1
153.0095@2.823176	1	1	1	12622	1	1	1	1	1	1	1	6634	1	1	26884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16976
633.0696@2.8621902	1	1	1	3329	1	1	1	1	2637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3754	1	1	1
333.9986@2.8342888	1	1	1	6311	1	1	1	1	1	1	1	1	1	7333	3054	18890	16740	1	1	1	1	1	22052	1	34476	27164	1	1	1	1	1	1	50485	21716	13036	1	1
381.9905@2.831489	1	1	1	7131	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
401.2259@2.831489	1	1	1	54408	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
504.1513@2.8433657	3477	137889	1	169439	1	1	1	1	122277	1	1	1	18719	113672	77844	291578	230480	1	1	1	89964	1	279159	1	610062	682306	399932	1	1	15387	1	1	312843	259242	137344	1	1
503.1543@2.846931	1	27439	1	36175	1	1	1	1	25962	1	1	1	3754	21851	15825	59691	48649	1	1	1	17670	1	54332	1	123457	143509	1	1	1	1	1	1	67887	50279	27388	1	1
409.0434@2.8398294	1	1	1	240183	62727	1	1	1	1	1	1	1	1	134150	1	1	169522	1	1	1	1	1	1	1	1	1	59453	1	23642	40463	1	1	1	120220	167508	1	1
338.0838@2.8447158	1	60519	1	25665	1	1	1	1	10233	1	1	1	1	26683	8717	65760	53601	1	1	1	26987	1	75969	1	111958	59590	144656	1	1	1	1	1	61190	50231	26362	1	1
437.2989@2.835486	1	1	1	11596	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H14 O2	1	1	1	9895	1	14107	1	1	11769	1	1	12003	9334	10575	10972	16553	16401	10995	1	1	1	1	16824	1	17104	1	1	11009	1	1	12759	12409	7016	33759	1	1	26731
415.2778@2.8535237	1	1	1	48935	1	1	1	1	1	16020	1	29552	20273	53057	1	1	26957	24327	1	1	1	56725	49822	1	1	1	1	1	1	1	1	35220	1	2675	1	1	1
Faropenem + 2.889555	1	1	1	4810	9875	17540	1	1	15766	23735	1	1	16695	1	61673	25534	28994	20110	1	1	1	1	22914	1	20594	8708	6814	13307	1	1	1	1	9724	37126	1	1	41413
370.1171@2.8704598	1	1	1	9832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
241.0972@2.8799913	122591	1	1	67332	1	1	1	1	1	1	254942	491665	214917	1	1	192717	160151	455667	1	1	1	80235	227348	1	281749	347353	311986	100756	1	60004	127945	126076	110392	209330	213155	1	1
559.3571@2.871459	1	1	1	20472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
703.5081@2.8724585	1	1	1	206680	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
379.2929@2.8734577	1	1	1	19288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
831.6277@2.900542	1	1	1	56435	1	1	1	1	112049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	102656	1	47008	1	38593	1	1	1	1	1	1	1	1
319.0114@2.897273	1	1	1	2996	5146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
148.0845@2.90776	1	1	1	35943	25476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
80.0264@2.8626285	1	1	1	7967	1	1	1	1	1	1	1	1	1	1	1	4960	1	4458	1	1	1	1	1	1	1	1	1	7370	1	1	1	7974	1	1	3240	5634	1
126.0315@2.8877444	49105	66704	1	191636	1	1	1	1	1	1	1	88690	1	1	1	159551	153818	106487	1	1	208201	155957	200524	1	122920	161971	172748	1	1	36897	272987	1	194863	182020	1	1	173347
423.2829@2.9374096	1	1	1	10300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
383.1119@2.9196262	1	1	1	109686	21565	1	1	1	1	1	1	32196	21728	1	1	1	1	174464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
260.004@2.943711	1	1	1	5463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2592	1	1	1	1	1	1	4363	1	1	1
756.2132@2.9735305	1	1	1	4684	1	1	1	1	1	2103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4264
689.4921@2.979801	1	1	1	368874	1	1	5454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9127	1	1	1	1	1	1
246.0527@2.9804828	1	1	1	96204	138675	136969	1	90383	142117	129540	1	135634	1	1	1	79702	1	1	1	143575	1	1	94715	149503	1	1	1	1	1	64717	1	86398	105477	103924	107079	1	1
305.0228@2.9873438	1	1	1	9373	1	1	1	1	7545	1	1	3484	7109	1	7455	1	5082	1	1	1	1	1	1	1	7970	1	1	1	1	1	1	1	1	7702	1	1	2703
365.2777@2.9913692	1	1	1	34455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
731.3599@2.9933677	1	1	1	3244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
803.5963@2.995366	1	1	1	22698	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
433.105@3.003427	1	1	1	16349	1	1	1976	1	3577	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4370	1	1	1	11863	1	1	1	3148	1	18145
Chlorocresol	1	1	1	35418	24998	38339	3768	34357	1	48386	1	42415	31885	36640	1	1	31226	38201	1	1	40380	1	31809	1	33695	28942	28565	47730	1	1	1	21393	1	30163	38416	43783	32712
434.1021@2.9945216	1	1	1	35192	55847	11170	1	1	1	53719	10191	9095	41281	1	1	22385	5354	1	1	1	1	1	1	1	1	10304	4673	1	18155	1	1	1	1	1	6638	1	1
296.9683@3.0043595	1	1	1	1228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tutin + 3.0069094	28025	105271	1	32611	74816	1	1	23374	85492	82933	90151	1	51997	27549	40909	23757	26422	1	1	1	27619	1	20432	1	35435	51253	41165	1	1	1	47291	42346	35955	38432	26485	1	48144
C25 H13 N6 O4 S	1	1	1	27799	26491	32232	1	27639	34197	1	1	1	23257	27638	23986	19527	21628	1	1	1	26616	1	26574	27227	27164	27188	24184	1	25393	26944	40744	45424	27106	22981	27454	35905	25412
299.0662@3.022145	1	24143	1	17062	16879	1	1	1	1	28356	1	1	1	13922	16879	1	13098	1	1	1	1	1	12476	22067	1	15636	14810	22160	1	1	1	26339	1	16141	1	22780	18520
Diosmetin	1	88847	1	63916	59255	93054	1	62903	107685	1	63298	105834	55125	82299	77433	39113	47950	1	59270	1	83350	59132	46765	60957	56244	60721	92875	120340	60528	60616	89228	119200	64673	63322	53556	81551	91599
12a-Hydroxyrotenone	5737	1	1	6148	14434	1	23744	11884	1	1	14924	1	3237	1	15130	1	1	1	1	1	1	1	1	1	5271	1	9124	1	1	1	1	1	1	1	1	8921	1
658.1756@3.0623271	1	1	1	10643	15514	1	1	1	14462	1	30097	1	13784	8132	1	12810	9948	1	1	1	14361	1	11836	1	1	5051	2995	1	1	1	1	1	1	10247	20206	1	1
574.122@3.0780742	1	1	1	8181	1	1	1	1	1	1	1	1	1	1	1	11832	10003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10169	1	1
456.1301@3.0727947	1	1	1	22486	45415	1	1	1	44806	1	1	1	42896	13103	15747	24198	25109	1	1	1	1	1	20783	1	1	27328	17887	1	1	1	1	1	28913	1	32164	1	1
552.1566@3.0756412	1	1	1	7264	45374	1	1	1	27284	1	11355	1	13567	1	5227	7825	8058	1	1	1	2457	1	6689	1	12393	13961	68203	1	1	1	1	1	9673	15491	1	1	1
268.0808@3.0843406	1	1	1	1936099	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4353961	1	1	1	1
634.1796@3.089981	1	1	1	8011	1	1	1	1	6931	1	8039	1	39666	1	1	20786	16018	1	1	1	1	1	24922	1	1	20005	1	1	1	1	1	1	23186	16341	7017	1	1
306.037@3.0939395	1	1	1	15116	1	1	1	1	1	1	1	1	16194	1	1	23309	17340	1	1	1	4772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
562.1582@3.0893183	1	1	1	5348	8844	1	1	1	7510	1	8212	1	1	1	1	25563	12305	1	1	1	1	1	25778	1	33034	14445	39327	1	1	1	1	1	22948	12011	12171	1	1
351.2615@3.1442547	1	1	1	43240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
455.1458@3.1527293	1	1	1	23649	11700	1	1	1	22546	1	71323	19988	29251	1	1	1	1	1	1	1	1	39318	17292	1	1873	14117	1	1	1	1	1	1	20898	83414	1	1	1
713.4354@3.156382	1	1	1	4595	1	1	1	1	1	1	7367	1	9514	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8817	1	1	1	1
Met Gly His	6650	1	1	17802	1	1	1	1	21492	1	30339	21715	33071	8737	1	1	1	1	1	1	13136	30189	1	1	1	18942	1	1	1	1	1	1	29399	31756	1	1	1
C11 H21 Cl2 N4 O2	3152	1	1	36965	1	1	1	1	54120	1	56012	45958	68508	27398	1	1	1	1	1	1	44568	37161	53289	1	18213	35681	1	1	1	1	1	1	65427	1	1	1	1
Adenine + 3.1587083	1	1	1	49720	1	1	1	1	47227	1	74083	38489	92329	29997	1	1	1	1	1	1	49942	37573	49400	1	1	38237	1	1	1	1	1	1	104064	96258	1	1	1
293.0935@3.1589415	8613	1	1	25664	1	1	1	1	1	1	44525	1	49975	1	1	1	1	1	1	1	1	46689	1	1	1	1	1	1	1	3585	1	1	41346	1	1	1	1
547.321@3.1910143	1	1	1	108368	45304	1	1	1	1	1	1	1	1	24816	1	1	22080	20617	1	1	1	1	31106	1	1	36125	28455	1	1	1	1	1	1	1	1	1	1
775.565@3.1902206	1	1	1	35011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
163.1359@3.2279854	1	1	1	62717	1	1	1	68120	1	1	1	1	1	1	1	1	50525	1	61388	1	1	1	1	1	1	64718	57973	1	51714	45679	65140	58392	65390	58330	59091	66268	1
761.549@3.2401838	1	1	1	27500	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
761.5501@3.3041363	1	1	1	54541	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
445.2883@3.3092763	1	1	1	8588	1	1	1	1	1	1	1	1	1	1	42529	1	1	1	1	1	10684	1	1	1	1	1	24816	1	1	1	1	1	1	1	13076	23000	1
405.237@3.3341143	1	1	1	2595	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
392.1104@3.3443441	1	1	1	7138	1	1	1	1	1	1	12248	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
394.1267@3.3518662	1	1	1	14476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32155	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
498.0996@3.3538625	1	1	1	12300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17126	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.1019@3.341109	1	1	1	6108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
308.0351@3.370114	1	1	1	21481	1	1	15108	1	7208	1	14403	1	1	1	1	1	1	1	1	40173	1	1	1	1	1	1	1	1	1	3995	1	1	1	1	1	1	1
C6 H10 N3 O5	1	1	1	59504	1	39636	40975	1	35679	34752	33681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23408	1	1	1	26145	1	1	1	1	1
748.5376@3.38108	1	1	1	40427	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
457.4107@3.392072	1	1	1	1383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
401.2621@3.409719	1	1	1	9637	1	1	1	1	1	1	1	1	1	1	1	17779	1	1	1	1	1	66364	7913	1	1	1	1	1	1	1	1	1	1	1	1	1	1
875.6537@3.3980677	1	1	1	47355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
445.2523@3.4060616	1	1	1	30569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.3254@3.429045	1	1	1	10004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
387.2296@3.437967	1	1	1	80768	1	1	1	1	1	1	1	21529	43171	1	1	1	1	1	12559	1	1	76565	1	16345	1	1	23932	1	1	1	1	1	1	1	1	1	1
386.2312@3.4337463	1	1	1	19655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22120	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
401.2623@3.4431388	1	1	1	23134	18872	1	1	1	1	1	1	1	1	1	1	1	8264	16913	1	1	1	1	1	1	1	5829	1	1	1	1	1	1	1	1	1	1	1
733.5184@3.4719424	1	1	1	203224	1	1	5313	1	1	1	1	1	1	1	1	1	14904	1	1	1	1	1	1	1	1	1	1	20019	1	1	1	1	1	1	1	1	1
210.9893@3.4784439	10896	1	1	11700	9654	8007	1	5374	9287	7221	1	9125	1	6165	1	5285	6557	4214	1	12895	6323	10046	1	6019	4525	8797	6626	1	6356	1	1	9273	7694	1	1	5030	6822
Dextroamphetamine	106168	1	1	93263	104104	99652	101620	89495	96860	90336	1	102150	100997	89150	93173	80736	87624	86039	89249	1	93903	1	88082	89276	82455	87658	85279	83940	88851	81771	91160	97060	89879	89524	85638	89598	87759
467.309@3.4890015	1	1	1	18210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
754.3731@3.490001	1	1	1	3989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Rhexifoline	1	1	1	18895	55743	49870	1	1	40573	37953	53905	1	33791	26872	1	26739	37678	22904	51588	118358	27787	31129	11599	68460	21137	39314	30554	38512	18747	1	23612	1	23684	24505	1	1	1
847.6226@3.5841227	1	1	1	40344	1	1	1	1	1	1	1	1	1	15311	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
453.2933@3.5419633	1	1	1	29669	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
458.2491@3.5499578	1	1	1	2282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
886.4141@3.5499578	1	1	1	5148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
717.3654@3.5939264	1	1	1	8190	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
850.4053@3.5969243	1	1	1	5424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
849.405@3.5999222	1	1	1	4189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
849.9051@3.6019208	1	1	1	11329	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.8523@3.605918	1	1	1	2147	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
819.5916@3.6138356	1	11107	1	18583	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1834	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.4098@3.6259038	1	1	1	13133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
89.0297@3.6409922	1	1	1	4879	13325	1	1	1	1	1	13688	1	1	5815	1	1	5445	4017	1	1	7490	1	5053	6446	1	1	1	6780	1	1	1	1	5182	1	1	1	1
415.3656@3.6321125	1	1	1	15532	1	14679	1	1	1	1	1	1	9521	1	1	1	1	1	1	1	1	1	1	1	1	1	16120	1	14890	1	1	1	1	15946	1	1	1
413.3502@3.6388946	1	1	1	12511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H9 N O S	1	17338	1	8364	26766	12320	13995	1	1	12805	1	1	19224	7863	13162	1	1	1	1	19056	12053	29547	1	10570	1	21313	20324	11835	10424	1	1	20459	8624	10846	1	1	1
591.3472@3.6626198	1	1	1	65093	30536	1	1	1	1	1	1	1	17730	16460	1	1	19610	15914	1	1	1	50952	23583	1	1	24713	24275	1	1	1	1	1	1	1	1	1	1
813.396@3.6618786	1	1	1	10525	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
812.8973@3.6618786	1	1	1	13738	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
805.5764@3.6822047	1	1	1	39864	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2247	1	1	1	1	1	1	1	1	1
411.8026@3.6778674	1	1	1	5823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.3544@3.6798658	1	1	1	18731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.8548@3.6798658	1	1	1	14489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
525.3514@3.6858616	1	1	1	8445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
642.346@3.6938562	1	1	1	7856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
738.8785@3.7108443	1	1	1	5093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
738.3766@3.7158408	1	1	1	6191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
863.6199@3.7188387	1	1	1	2936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
775.8874@3.7292924	1	1	1	15429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3852	1	1	1	1	1	1	1	1	1	1	1
945.9367@3.719838	1	1	1	7773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
775.3865@3.7307901	1	1	1	23044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6827	1	1	1	1	1	1	1	1	1	1	1
404.2935@3.7238352	1	1	1	17981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
511.3352@3.7248344	1	1	1	10108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
791.5603@3.74253	1	1	1	59961	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5382	1	1	5003	1	1	1	1	1	1
489.3148@3.746981	1	1	1	7994	1	5142	5865	1	1	1	1	3240	1	1	40095	1	1	1	1	1	10481	1	1	1	1	1	23193	1	1	1	1	1	1	1	9781	15343	1
648.4126@3.7478187	1	1	1	2885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
908.9284@3.7498174	1	1	1	10047	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.4096@3.755813	1	1	1	8197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
423.3199@3.7628083	1	1	1	15260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.3201@3.768804	1	1	1	14161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
642.3443@3.7698035	1	1	1	20793	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.8479@3.7708027	1	1	1	5092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
642.8459@3.7728014	1	1	1	12629	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
905.6681@3.7728014	1	1	1	4014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
777.5449@3.7817497	1	1	1	96807	1	1	5412	1	4499	1	1	1	1	1	1	1	6543	1	1	1	1	1	1	1	1	1	1	1	1	1	9745	1	1	1	1	1	1
397.7869@3.7787971	1	1	1	9342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
739.3781@3.7797966	1	1	1	13594	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
738.3772@3.792669	1	1	1	11395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2943	1	1	1	1	1	1	1	1	1	1	1
871.9188@3.7921722	1	1	1	16472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3590	1	1	1	1	1	1	1	1	1	1	1
738.877@3.7941694	1	1	1	19497	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6461	1	1	1	1	1	1	1	1	1	1	1
872.4175@3.7897897	1	1	1	9969	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.8684@3.7897897	1	1	1	6031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
397.2856@3.7967849	1	1	1	5876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
546.312@3.7977843	1	1	1	6471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
605.3373@3.799783	1	1	1	7016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
454.8393@3.8311388	1	2768	1	16258	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
454.3377@3.8027809	1	1	1	35343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
489.2783@3.80378	1	1	1	15930	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
891.6472@3.854021	1	1	1	21471	1	1	1	1	1	1	1	1	1	9585	7261	1	1	4050	1	1	1	1	1	1	1	1	1	1	1	1250	1	1	1	1	1	1	1
274.1144@3.8185334	1	1	1	16718	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3508	1	1	1	5480	1	5285	1	1	5524	1	1	1	1	1	1	1	1	1
533.3062@3.81877	1	1	1	3366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
603.3829@3.8315945	1	1	1	9145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6763	1	1	1	1	1	1	1	1	1	1	1
835.4107@3.8247657	1	1	1	14416	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
834.4086@3.8257654	1	1	1	8731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
834.9095@3.839077	1	1	1	20316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6340	1	1	1	1	1	1	1	1	1	1	1
519.5757@3.8417544	1	1	1	30312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.303@3.8517478	1	1	1	20802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.3676@3.8645582	1	1	1	35463	4034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7078	1	1	1	1	1	1	1	1	1	1	1
545.5889@3.8567443	1	1	1	9140	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
430.2571@3.8567443	1	1	1	8069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
370.2203@3.868573	1	1	1	1691196	33238	1	1	1	12015	1	1	1	652419	27445	1	13027	11914	13415	1	1	1	1066044	1422024	1	8620	13072	403316	8661	1	1	11995	21480	1	1	1	5945	1
701.8681@3.8597422	1	1	1	21258	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
711.6006@3.8637395	1	1	1	87905	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
605.3349@3.8677366	1	1	1	15059	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
440.3211@3.8006816	4757	1	1	20531	1	1	1	7573	8939	1	1	1	1	1	1	13081	6928	1	1	1	18090	1	1	1	1	1	1	1	1	1	8100	1	3989	1	8958	1	1
605.8352@3.8697355	1	1	1	9017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
697.5845@3.8707347	1	1	1	11239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
863.6172@3.8908753	1	5189	1	8592	3002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4459	1	1	1	1	1	1	1	1	1	1	1	1	1	1
599.4747@3.8737328	1	1	1	18160	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
664.3564@3.8777301	1	1	1	7601	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
683.5695@3.8787293	1	1	1	138548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
797.8998@3.8817275	1	1	1	25961	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
797.3992@3.891478	1	1	1	12217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7987	1	1	1	1	1	1	1	1	1	1	1
798.3995@3.8827267	1	1	1	19293	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
669.5519@3.8857248	1	1	1	6284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
968.451@3.8917208	1	1	1	4886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
723.8824@3.895718	1	1	1	3272	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
655.5386@3.895718	1	1	1	26141	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
504.9753@3.909834	1	1	1	4904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2609	1	1	1	1	1	1	1	1	1	1
222.0876@3.9094036	1	1	1	46466	38349	7110	1	1	1	1	11553	1	1	1	1	1	1	1	1	1	1	1	10755	1	1	1	1	1	1	1	1	1	1	1	39939	15278	1
739.5979@3.9027133	1	1	1	16957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
931.4417@3.9027133	1	1	1	9376	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
968.9496@3.9037125	1	1	1	2234	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
930.9417@3.9154334	1	1	1	10567	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2948	1	1	1	1	1	1	1	1	1	1	1
433.3146@3.9117074	1	1	1	28400	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
433.8167@3.9127066	1	1	1	9222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
849.6028@3.9127066	1	1	1	13773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
407.4488@3.9187515	1	1	1	26486	1	1	1	1	1	1	1	1	1	1	4221	1	1	1	1	1	1	1	1	1	1	4808	1	1	1	1	1	1	1	1	1	1	1
623.5848@3.9147055	1	1	1	51954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
689.5933@3.9157047	1	1	1	9690	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
651.6139@3.9177034	1	1	1	25282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
687.5564@3.9187026	1	1	1	5971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
713.5808@3.9063833	1	1	1	11517	1	1	3383	1	1	1	1	1	1	1	1	1	6177	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
691.4361@3.919702	1	1	1	10105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
443.2367@3.9366395	1	1	1	14007	1	1	1	1	1	1	1	1	13972	11428	1	1	3000	1	1	1	1	18127	7860	1	2206	1	1	1	1	1	1	1	1	1	1	1	1
595.553@3.9246988	1	1	1	26721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
581.5378@3.9286962	1	1	1	77082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
663.5796@3.9244924	1	1	1	44005	1	1	1	1	1	1	1	1	3927	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
677.5949@3.931694	1	1	1	42038	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
893.9313@3.9346921	1	1	1	16771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
664.8589@3.9356914	1	1	1	18687	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
893.431@3.9366906	1	1	1	6395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
894.4323@3.9366906	1	1	1	12212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
664.3573@3.9376903	1	1	1	26940	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
760.3899@3.95335	1	1	1	34186	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9330	1	1	1	1	1	1	1	1	1	1	1
760.8915@3.9523535	1	1	1	27316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9155	1	1	1	1	1	1	1	1	1	1	1
555.3613@3.9406881	1	1	1	8760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
553.5059@3.9446855	1	1	1	4493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
696.6445@3.9466841	1	1	1	10407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
668.6139@3.9578457	1	1	1	33132	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8868	1	1	1	1	1	1	1	1	1	1	1
635.5485@3.9486828	1	1	1	12796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
723.3819@3.951681	1	1	1	6303	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.2884@3.951681	1	1	1	28282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
426.8079@3.95268	1	1	1	15768	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
426.3068@3.95268	1	1	1	35575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
835.5868@3.9687777	1	1	1	23716	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3015	1	1	1	1	1	1	1	1	1
612.5522@3.966671	1	1	1	12511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
525.4743@3.9716678	1	1	1	7086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
635.3739@3.9830124	1	1	1	43209	26946	1	1	1	1	1	1	1	14016	12366	1	1	16048	13954	1	1	1	38763	18247	1	1	20070	17667	1	1	1	1	1	1	1	1	1	1
856.9224@3.9850905	1	1	1	24161	2130	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7404	1	1	1	1	1	1	1	1	1	1	1
857.422@3.9766645	1	1	1	17421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
572.4047@3.9903896	1	1	1	12840	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4347	1	1	1	1	1
516.3425@3.9826603	1	1	1	7852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
568.3263@3.98366	1	1	1	8454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
511.4572@3.9846592	1	1	1	3468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
541.3457@3.9886565	1	1	1	11300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
583.5174@3.9886565	1	1	1	10992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.4033@3.9966514	1	1	1	9613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.4442@3.9996493	1	1	1	9414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
821.5709@4.0203414	1	1	1	37877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5835	1	1	3382	1	1	1	1	1	1
419.3004@4.0026474	1	1	1	56751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
419.8003@4.0206747	1	1	1	19820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2591	1	1	2406	1	1	1	1	1	1
476.3513@4.0066447	1	1	1	31828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
935.6756@4.0086436	1	1	1	9912	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
723.8821@4.0222135	1	1	1	27609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7504	1	1	1	1	1	1	1	1	1	1	1
723.3801@4.021379	1	1	1	21697	6657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5882	1	1	1	1	1	1	1	1	1	1	1
724.3816@4.0116415	1	1	1	21271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.4811@4.01464	1	1	1	4570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
691.4357@4.019636	1	1	1	4018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
820.4127@4.0226345	1	1	1	23243	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
819.4127@4.0371833	1	1	1	15065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10699	1	1	1	1	1	1	1	1	1	1	1
819.9131@4.035028	1	1	1	28819	4007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8882	1	1	1	1	1	1	1	1	1	1	1
C27 H49 N	1	86799	1	205221	56083	28689	198258	1	30400	53578	1	1	1	1	1	1	24865	1	1	10212	1	19516	28001	58414	1	73107	1	102562	1	1	109316	1	18197	1	1	52220	132695
C17 H34 N2 O3 + 4.037112	22168	1	1	7905	169642	1	20563	21731	1	1	10494	1	1	18624	50903	17028	15835	22330	48096	1	1	14738	13359	1	49167	32838	64359	1	5999	1	1	1	1	1	1	17384	1
459.3703@4.030629	1	1	1	4765	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.8496@4.034627	1	1	1	12582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
469.4119@4.037625	1	1	1	3268	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
989.9623@4.0426216	1	1	1	9609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
331.3236@3.9934423	1	72542	1	240843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
632.4966@4.0496173	1	1	1	2238	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
952.4527@4.054614	1	1	1	4994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
357.3244@4.057612	1	1	1	2324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
952.9541@4.0586114	1	1	1	15559	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
283.0917@4.065139	1	1	1	33092	27089	1	11493	1	43850	1	38348	1	92842	46689	9345	120665	66631	1	1	1	53435	40456	55116	1	82297	14498	78942	1	1	1	5402	1	64925	50834	94631	1	1
305.2839@4.0643425	2378	1	1	3129	1	1	1	1	1	1	1	1	1	1	3730	1	1	1	1	2652	1	1	1	1	1	1	1	1	1	1	2566	1	1	1	1	1	1
915.9442@4.08808	1	1	1	19055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5784	1	1	1	1	1	1	1	1	1	1	1
915.4445@4.079598	1	1	1	8819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
688.3741@4.079598	1	1	1	2705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
916.4449@4.095561	1	1	1	8911	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3947	1	1	1	1	1	1	1	1	1	1	1
782.9037@4.095067	1	1	1	39298	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10729	1	1	1	1	1	1	1	1	1	1	1
782.4031@4.098824	1	1	1	46924	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4983	1	1	6893	1	1	1	1	1	1	1	1	1	1	1
686.8727@4.090591	1	1	1	25471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.4101@4.094679	1	1	1	5451	10203	1	1	1	1	1	1	1	1	3292	1	1	1	1	1	1	1	4611	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
686.3711@4.1025515	1	1	1	38381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5904	1	1	1	1	1	1	1	1	1	1	1
356.3479@4.0925894	1	1	1	12430	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
525.8877@4.096587	1	1	1	4152	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
525.3886@4.0975866	1	1	1	7510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
533.3045@4.109579	1	1	1	8433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
455.3281@4.1095862	1	1	1	20329	1	1	1	1	1	5180	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
625.5277@4.112577	1	1	1	10141	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
455.8289@4.112577	1	1	1	8621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
879.4359@4.1135764	1	1	1	18061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
878.435@4.127997	1	1	1	11731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8072	1	1	1	1	1	1	1	1	1	1	1
878.9355@4.1275005	1	1	1	26750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8124	1	1	1	1	1	1	1	1	1	1	1
243.079@4.119573	1	1	1	13191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.317@4.1265683	1	1	1	4005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.8196@4.128567	1	1	1	3092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Resveratrol 4''-Methyl Ether	1	24906	1	7948	1	62022	9123	1	118045	66894	101720	100224	155996	44802	1	31658	46498	1	1	1	119070	99902	31915	1	1	1	1	1	1	1	61548	98791	105298	50993	43027	1	1
611.5115@4.136562	1	1	1	15678	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
590.8413@4.1435575	1	1	1	8863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
590.3395@4.145556	1	1	1	17056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
448.8212@4.1515527	1	1	1	10379	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
543.4135@4.1515527	1	1	1	12516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
448.321@4.152552	1	1	1	26178	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
745.3936@4.166916	1	1	1	50182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10310	1	1	1	1	1	1	1	1	1	1	1
745.8947@4.1659207	1	1	1	40263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8146	1	1	1	1	1	1	1	1	1	1	1
599.3874@4.15555	1	1	1	5422	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
339.2517@4.1670237	1	1	1	7508	8031	1	8891	1	1	26002	7656	1	1	1	1	1	10921	1	1	1	1	9503	1	7831	1	1	1	1	1	1	12934	1	1	5392	1	1	1
841.926@4.1783137	1	1	1	32095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3588	1	1	11068	1	1	1	1	1	1	1	1	1	1	1
841.4263@4.1645446	1	1	1	16150	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
735.4631@4.165544	1	1	1	2680	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
842.4268@4.1728687	1	1	1	23500	3593	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6839	1	1	1	1	1	1	1	1	1	1	1
597.4963@4.1725397	1	1	1	39316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
509.3391@4.1806803	1	1	1	4688	1	1	1	1	1	1	4624	1	1	1	1	3212	1	1	1	1	2065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
414.2464@4.192185	1	1	1	21832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11890	26653	1	1	1	1	1	1	1	1	1	1	1	1	1	1
649.8632@4.1835327	1	1	1	20324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
649.3613@4.185532	1	1	1	31277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
498.3637@4.1875305	1	1	1	30995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
498.8656@4.1875305	1	1	1	15017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
369.3238@4.1905284	1	1	1	9895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
209.069@4.211323	1	1	1	25176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34042	1	1	1	1	1	1	1	1	1	1	1
441.8139@4.198524	1	1	1	15869	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
974.9674@4.198524	1	1	1	7306	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
610.433@4.215996	1	1	1	1433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2038	1	1	1	1	1
459.3229@4.1995234	1	1	1	43853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
865.5975@4.214887	1	1	1	17482	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2315	1	1	1	1	1	1	1	1	1
975.4675@4.2005224	1	1	1	9155	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
585.3736@4.2045197	1	1	1	8678	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
583.4804@4.2125154	1	1	1	71023	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
568.5182@4.223803	1	1	1	2553	1	1	1	1	1707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5348	1	1	1	1	3354	1	1
937.9581@4.215513	1	1	1	17972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
325.0235@4.2215347	1	1	1	2811	1	1	1	1	1	1	1	1	2437	1	1	1	1	1	1	1	3175	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
938.4577@4.227296	1	1	1	13082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5087	1	1	1	1	1	1	1	1	1	1	1
350.0449@4.2302427	1	1	1	2499	1	1	1	1	1	1	1	1	1	1	4573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1891	1	4197	1	3588	1	1	1
245.0917@4.2205105	1	1	1	7086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
804.9171@4.234277	1	1	1	38901	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9883	1	1	1	1	1	1	1	1	1	1	1
804.4163@4.231166	1	1	1	23138	3942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2944	6621	1	1	1	1	1	1	1	1	1	1	1
805.4176@4.235739	1	1	1	27781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3407	1	1	1	1	1	1	1	1	1	1	1	1	1	1
243.2197@4.2460976	1	1	1	54613	1	64466	1	1	64923	26421	101496	100287	70043	1	21021	71075	1	51414	33332	1	1	1	17663	1	1	85731	43241	1	18718	1	1	1	36092	1	1	29454	44732
708.8851@4.2462535	1	1	1	31477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5608	1	1	1	1	1	1	1	1	1	1	1
575.5746@4.234502	1	1	1	33611	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H31 N O4 + 4.244765	12092	1	1	15402	11226	15591	11561	8117	12940	9617	17308	18643	21911	9065	1	15411	6871	1	10525	8161	1	1	17147	17217	7855	1	8127	1	16837	1	17002	14110	6311	8294	17623	1	8907
708.384@4.2447605	1	1	1	48708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4693	1	1	1	1	1	1	1	1	1	1	1
397.3548@4.233572	1	1	1	6706	1	1	3775	1	1	1	6196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.3995@4.251438	1	1	1	27877	18816	1	1	1	1	1	1	1	10285	1	1	1	11231	7049	1	1	1	25208	12024	1	7333	13006	11675	1	1	1	1	1	1	1	1	1	1
255.2925@4.235485	1	1	1	13261	1	1	8655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
553.3343@4.2414975	1	1	1	3270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
547.5438@4.242497	1	1	1	14069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
603.6061@4.2434964	1	1	1	57865	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
539.8956@4.246495	1	1	1	3689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
285.3032@4.255997	1	1	1	57096	1	1	1	1	1	23008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25184	1	1	1	1	1	1	1	1	1	1	1
901.4496@4.2494926	1	1	1	17231	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
900.4474@4.2494926	1	1	1	10684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
900.949@4.2514915	1	1	1	26005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
589.5902@4.25449	1	1	1	13615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
484.3487@4.2300234	1	1	1	12329	1	1	1	3219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4568	5364	1	1	1	1	1	1
561.5593@4.2564883	1	1	1	8513	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
311.3553@4.266715	1	1	1	610783	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	190116	1	1	1	1	1	1	1	1	1	1	1
555.4494@4.2574883	1	1	1	120966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
325.3705@4.2788095	1902	1	1	9160	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
547.9028@4.331691	1	4858	1	4569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
617.6205@4.262485	1	1	1	4407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
381.4309@4.2654953	1	1	1	2063	1	1	1	1	6343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
569.4651@4.264484	1	1	1	407824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
429.3453@4.2684813	1	1	1	33295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
441.3814@4.265831	1	1	1	82179	1	1	1	1	1	1	1	1	5502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
309.3391@4.274478	1	1	1	16173	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
631.6373@4.2764764	1	1	1	35823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
767.9079@4.321946	1	1	1	42581	1	1	1	1	1877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10824	1	1	1	1	1	1	1	1	1	1	1
767.4071@4.300048	1	1	1	55975	4881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6484	1	1	1	1	1	1	1	1	1	1	1
477.3426@4.2914677	1	1	1	14402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
553.3305@4.2914677	1	1	1	9979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
491.4812@4.2934666	1	1	1	5573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
864.4391@4.306628	1	1	1	22143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4709	1	1	1	1	1	1	1	1	1	1	1
612.3542@4.2974644	1	1	1	19479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
318.1407@4.3076086	1	1	1	19567	1	2099	1	1	1	3276	1	1	1	5978	1	1	1	1	5818	1	1	6256	7211	1	6230	1	1	1	1	1	1	4240	1	1	1	1	1
C16 H35 N O	1	36205	1	1249973	1	1	58356	1	64669	112470	1	1	39571	1	1	1	38677	1	28443	44789	1	1	54804	62991	28498	49687	1	72373	1	31234	145452	1	1	1	1	1	115548
863.9393@4.3086257	1	1	1	30516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9064	1	1	1	1	1	1	1	1	1	1	1
612.8529@4.298464	1	1	1	12581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
863.438@4.306533	1	1	1	17069	6103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3046	3854	1	1	1	1	1	1	1	1	1	1	1
403.3301@4.3004622	1	1	1	12711	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
585.4607@4.302461	1	1	1	8343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
411.3699@4.303461	1	1	1	5410	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
513.4387@4.303461	1	1	1	32772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.3553@4.311456	1	1	1	8839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
427.3654@4.3134546	1	1	1	10398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
425.3507@4.322449	1	1	1	5778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
347.3187@4.330006	1	1	1	7240	9569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3626	1	1	1	1	1	1
549.9123@4.3817544	1	1	1	3768	1	1	1	1	1	1	1	1	1	1	2600	1	2889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
639.8954@4.294609	1	1	1	2258	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1811	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.4494@4.328446	1	1	1	116032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
321.1835@4.328446	1	1	1	26274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
671.8756@4.330445	1	1	1	26776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
671.3767@4.330445	1	1	1	33164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H29 N	1	59557	1	358654	1	45802	120348	1	59545	96016	1	1	1	1	55241	1	66718	1	63934	1	1	1	1	97566	67517	62182	36766	44859	1	41026	1	1	1	49425	1	62362	61112
470.3334@4.3344426	1	1	1	17098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
403.3293@4.3344426	1	1	1	9797	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
513.4026@4.3354416	1	1	1	88697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
470.8358@4.3364415	1	1	1	8109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
387.3338@4.3364415	1	1	1	18371	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
997.4792@4.340439	1	1	1	7876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
383.342@4.340439	1	1	1	8881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
583.4512@4.3434377	1	1	1	13645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
485.4071@4.3444366	1	1	1	3318	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
399.3336@4.3578777	1	1	1	11422	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9574	1	1	1	1
960.4724@4.349434	1	1	1	11326	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
826.4289@4.370005	1	1	1	23089	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4503	1	1	13006	1	1	1	1	1	1	1	1	1	3082	1
827.4304@4.353431	1	1	1	25212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
499.4232@4.3544307	1	1	1	10398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
520.8781@4.35543	1	1	1	11012	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
826.9302@4.3633037	1	1	1	37460	7271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11549	1	1	1	1	1	1	1	1	1	1	1
520.3771@4.35543	1	1	1	21115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
527.4182@4.3634257	1	1	1	158461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
229.2407@4.368542	1	96868	1	2969762	1	1	247217	1	146422	219754	1	1	86996	1	1	1	93050	1	1	1	1	1	89406	180591	1	93919	1	162406	1	1	313345	1	1	1	1	1	208088
C18 H38 N4 O2	1	1	1	85397	1	4276	10539	1	10020	17828	5968	1	2489	1	1	1	6272	1	1	8392	1	1	1	1	1	8288	1	7782	1	1	17286	1	1	3818	1	1	7515
367.2218@4.375844	1	1	1	2800	13567	1	1	1	1	1	7692	1	1	7047	8830	4652	7400	1	3927	1	1	7657	1	1	9537	13782	18063	1	1	1	1	1	1	1	1	3265	1
730.8982@4.3731647	1	1	1	36571	3307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
605.5858@4.37342	1	1	1	20410	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
730.3973@4.427764	1	1	1	50779	1	1	1	1	1	1	1	1	3017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1034.4886@4.37342	1	1	1	3115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
922.9611@4.3904495	1	1	1	19079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6041	1	1	1	1	1	1	1	1	1	1	1
463.3257@4.3920965	1	1	1	26490	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5504	1	1	1	1	1	1	1	1	1
633.6166@4.380416	1	1	1	37022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
909.6234@4.3814154	1	1	1	5306	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
463.8269@4.3814154	1	1	1	10503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
922.4606@4.3814154	1	1	1	27173	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
577.5552@4.3834143	1	1	1	10386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
577.3318@4.3316593	1	1	1	5607	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2316	1	1	1	1	1	1	1	1	1	1	1	1	1	1
596.4769@4.39141	1	1	1	3659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
467.2919@4.3944077	1	1	1	3438	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
549.5214@4.399405	1	1	1	6641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
629.3983@4.402404	1	1	1	4802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
499.3865@4.4044023	1	1	1	20052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
453.3303@4.4074006	1	1	1	15844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
661.6481@4.4093995	1	1	1	22354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
541.4335@4.410399	1	1	1	46240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
506.3593@4.375492	1	1	1	6743	16395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2340	1	2834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
789.4202@4.4328637	1	1	1	53839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7591	1	1	1	1	1	1	1	1	1	1	1
885.9523@4.4332786	1	1	1	29275	4619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5263	1	1	5728	1	1	1	1	1	1	1	1	1	1	1
395.3394@4.423392	1	1	1	8480	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
886.4535@4.434358	1	1	1	21012	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5324	1	1	1	1	1	1	1	1	1	1	1
789.9212@4.455162	1	1	1	41388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4614	1	1	11732	1	3963	1	1	1	1	1	1	1	1	1
569.4195@4.4859166	1	5009	1	8276	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
885.4512@4.460665	1	2907	1	12198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5175	1	1	4557	1	1	1	1	1	1	1	1	1	1	1
445.3398@4.4253902	1	1	1	22429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
455.3965@4.428389	1	1	1	15272	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
638.5215@4.4363847	1	1	1	4831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
443.3957@4.4393826	1	1	1	9729	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
634.867@4.44438	1	1	1	11881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
634.365@4.4453793	1	1	1	24149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
369.3246@4.4463787	1	1	1	9207	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
441.381@4.447378	1	1	1	10300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
575.8451@4.448378	1	1	1	6723	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
201.2092@4.4526505	1	1	1	11245	1	5363	8127	1	1	1	1	1	5683	5602	5207	1	1	1	6714	4955	1	7080	1	5752	1	5811	1	5331	6346	1	1	1	1	3803	5230	1	4668
513.4022@4.451376	1	1	1	73329	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
473.3885@4.451376	1	1	1	7988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
357.3236@4.455374	1	1	1	29503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
499.3561@4.458372	1	1	1	13712	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
471.3738@4.461371	1	1	1	10574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.3888@4.464369	1	1	1	37421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.889@4.467367	1	1	1	24515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
305.2474@4.469366	1	1	1	15188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
458.274@4.485835	1	1	1	13711	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13069	1	1	1	1	1	1	1	1	1	1	1	1	1	1
185.105@4.4901657	1	1	1	24991	51506	1	38079	21937	1	1	34553	1	40550	1	1	1	1	1	1	1	1	59260	1	1	1	60069	27704	1	1	1	1	1	1	1	1	1	32788
399.3681@4.478361	1	1	1	7870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
425.3496@4.4793606	1	1	1	50245	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
848.4423@4.494586	1	1	1	41380	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1707	11808	1	1	1	1	1	1	1	1	1	1	1
848.9434@4.5048814	1	1	1	40278	6511	1	1	1	1	1	1	1	2459	1	1	1	1	1	1	1	1	1	1	1	1	10145	1	1	1	1	1	1	1	1	1	1	1
723.4246@4.494219	1	1	1	15921	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13844	1	1	1	8952	1	1	1	1	1	1	1	1	1	1	1
982.4845@4.4833584	1	1	1	9451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.2197@4.4879785	1	1	1	2980	1	1	1	1	1	1	1	2466	3994	1	1	1	1	1	2164	1	1	2701	1	1	1	1	1	1	1	1	2834	1	1	1	1	1	1
C17 H35 N4 O3	1	1	1	15097	17101	12096	1	7240	12031	12346	13036	15514	10861	12023	11254	10986	11523	1	13842	10351	10314	9513	13603	9319	10210	11954	7572	10414	11200	11207	13883	1	1	1	12461	8650	1
210.0797@4.502168	1	1	1	6226	13046	1	1	1	1	1	1	1	7453	1	1	1	1	1	1	1	1	6538	5350	1	1	1	1	1	1	1	1	1	1	1	1	1	1
429.3096@4.4953523	1	1	1	5341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
485.3707@4.4963512	1	1	1	8329	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
752.41@4.5394793	1	3001	1	49354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2112	1	1	1	1	1	1	6724	1	1	1	1	1	1	1	1	1	1	1
752.9115@4.529157	1	1	1	37049	1	1	1	1	1	1	1	1	1883	1	1	1	1	1	1	1	1	1	1	1	1	6196	1	1	1	1	1	1	1	1	1	1	1
439.3143@4.5053463	1	1	1	20408	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
945.4748@4.5063457	1	1	1	14205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
944.4728@4.5063457	1	1	1	6856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
449.3269@4.5063457	1	1	1	46054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
399.3343@4.5063457	1	1	1	166777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
944.9765@4.508345	1	1	1	20548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H25 N	3992	7438	1	9847	9740	1	7149	1	9561	7058	9835	10123	14365	5390	1	6376	1	1	9373	5381	1	1	10394	10425	5856	6179	7511	1	1	4784	8337	5472	1	1	6593	5365	4970
542.8925@4.511343	1	1	1	9954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
542.3896@4.5123425	1	1	1	19447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
392.2482@4.524518	1	1	1	2926	11990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11719	1	1	2499	5838	1	1	1	1	1	1	1	1	1	1	1
387.3343@4.5163407	1	1	1	65244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
527.4177@4.537329	1	1	1	18992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
907.4648@4.5585904	1	1	1	11098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9081	1	1	1	1	1	1	1	1	1	1	1
908.4658@4.547324	1	1	1	16217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
811.934@4.554396	1	1	1	39038	6725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10358	1	1	1	1	1	1	1	1	1	1	1
907.9655@4.5483236	1	1	1	25845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
811.4325@4.6041493	2899	4345	1	49417	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
485.8394@4.5503225	1	1	1	5987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
485.3387@4.5503206	1	1	1	17503	1	1	2306	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.3035@4.5573187	1	1	1	45513	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
443.3602@4.558318	1	1	1	16458	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
612.9479@4.5726833	1	1	1	5150	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2493	1	1	1	1	1	1	1	1	1	1
591.9284@4.5663137	1	1	1	5741	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
421.2944@4.5673137	1	1	1	6569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
528.3741@4.587659	1	1	1	3580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3456	1	1	1	1	1	1	1	1	1	1	1	1	1	1
656.3789@4.582306	1	1	1	18840	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
499.3863@4.582306	1	1	1	31748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
656.8799@4.5843043	1	1	1	11137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
597.8568@4.589302	1	1	1	7338	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
597.3559@4.591301	1	1	1	12181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
345.2871@4.5933003	1	1	1	29703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
441.3441@4.5943	1	1	1	20087	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
673.4245@4.5972977	1	1	1	5076	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
715.902@4.5972977	1	1	1	22542	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
715.4038@4.598297	1	1	1	31174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
871.4563@4.603295	1	1	1	21935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
870.9551@4.6179576	1	1	1	31623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2824	1	1	7687	1	1	1	1	1	1	1	1	1	1	1
870.455@4.6093063	3333	1	1	15376	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11046	1	1	1	1	1	1	1	1	1	1	1
Otonecine + 4.6158233	64048	1	1	36712	100709	21105	86493	20232	1	1	96002	1	72125	49570	47255	40119	1	53517	23754	43883	1	99013	29485	1	26915	96765	30811	1	20125	10218	1	1	1	1	17471	61465	52251
612.4708@4.61229	1	1	1	7896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1003.9964@4.61329	1	1	1	7219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
453.3921@4.616288	1	1	1	7360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H2 Cl2 N2 O7 S5	1	1	1	4867	52892	1	1	1	1	1	1	44390	6957	1	66198	98852	1	1	42937	1	1	37292	1	5196	1	98552	4997	1	2343	1	1	1	41536	24195	72111	103696	36629
979.5635@4.6381125	1	1	1	70381	1	1	1	1	1	1	1	1	1	66633	1	1	1	1	1	51116	1	1	1	1	54248	1	74506	35180	1	1	26669	1	1	1	1	1	80318
481.7827@4.635923	1	1	1	3722	1	1	11106	1	1	1	1	1	21290	1	1	1	1	1	1	1	1	15169	1	7708	1	1	4086	1	1	1	1	1	1	6664	1	1	1
Astrasieversianin XVI	4771	1	1	30834	68363	1	36822	6159	86724	48583	53845	66227	71468	51183	10264	47048	39575	30747	14433	31518	58131	1	61766	37337	14209	7918	2617	53774	29258	61310	41135	46158	66546	70682	49647	33383	34072
967.4891@4.630281	1	1	1	11736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
471.3567@4.630281	1	1	1	5914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
774.4249@4.6470604	2646	1	1	42660	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2341	1	1	1	1	7313	1	1	1	1	1	1	1	1	1	1	1
774.924@4.630281	1	1	1	30655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
966.9878@4.642408	1	1	1	16814	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4961	1	1	1	1	1	1	1	1	1	1	1
457.305@4.6352787	1	1	1	37572	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
505.3257@4.6455226	1	1	1	7129	6368	1	1	1	1	1	1	1	1	7127	1	1	1	1	1	1	5366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
445.3752@4.6432743	1	1	1	6203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
571.7528@4.645273	1	1	1	2086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
564.4037@4.6552687	1	1	1	14912	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
514.3605@4.6552687	1	1	1	5275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
317.2563@4.656268	1	1	1	11842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
564.9048@4.6592665	1	1	1	8095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
154.1464@4.6652637	1	1	1	20482	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
929.4766@4.668262	1	1	1	8566	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
929.9784@4.7145166	1	3048	1	19544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
833.9476@4.6803284	1	1	1	32176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8271	1	1	1	1	1	1	1	1	1	1	1
833.4459@4.6919003	1	3742	1	45009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
628.5411@4.68803	1	1	1	9957	37588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23522	13065	1	9380	1	1	1	1	1	1	1	15101	15883	11176	1	6070	1	6530
259.215@4.615653	1	1	1	6055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
293.1768@4.690251	1	1	1	5820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
614.9498@4.710212	1	1	1	545211	341314	1	1	1	468789	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	335185	1	367294	1	1	190472	1	1	1	1	1	1	1
634.9611@4.7112374	1	1	1	9401	1	1	1	1	10211	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5841	1	6488	1	1	2650	1	1	1	1	1	1	1
443.2876@4.701246	1	1	1	21557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
767.4516@4.7106414	1	1	1	6463	3894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4869	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
507.3518@4.7032447	1	1	1	9235	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
613.4422@4.7062435	1	1	1	10529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
613.9435@4.707243	1	1	1	5843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
507.8526@4.709242	1	1	1	3657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
396.7427@4.7217693	1	1	1	5876	18756	1	1	1	1	1	1	1	1	1	1	1	5269	8122	1	2031	1	18650	11389	1	5319	8573	1	1	1	1	1	1	1	1	1	1	1
678.3918@4.715239	1	1	1	18913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PI(18:1(9Z)/18:1(9Z))	10926	37295	1	25064	103635	105143	54570	1	1	59059	114403	35840	30935	26234	14927	43247	45641	56001	20615	85871	41097	44718	37052	44068	9844	1	1	53953	39825	51644	23842	52650	15902	40187	17791	24669	20864
678.8928@4.717238	1	1	1	11305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
892.969@4.732105	1677	1	1	22827	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6588	1	1	1	1	1	1	1	1	1	1	1
892.4693@4.760723	1	10255	1	11005	1	5964	1	1	1	1	1	1	1	2816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
186.0795@4.735252	1	1	1	14574	13618	1	1	1	1	1	17877	7781	21911	1	1	1	6630	1	1	1	9590	15590	1	15933	1	1	1	1	15154	1	1	1	1	1	1	1	1
737.9154@4.726234	1	1	1	21316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
737.4153@4.726234	1	1	1	32940	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
619.3692@4.7272334	1	1	1	12237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
511.3714@4.73423	1	1	1	5399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
289.2244@4.740227	1	1	1	5156	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H62 N O11	163439	271588	1	590073	212994	334542	1	1	686570	1	1	151519	1	1	1	210419	1	161140	1	242116	1	1	194331	1	381866	252331	320140	154766	324815	249762	179632	1	1	169745	1	1	1
529.3603@4.7462244	1	1	1	5716	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
989.5012@4.747224	1	1	1	9039	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
796.4365@4.762146	1	1	1	35738	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9905	1	1	1	1	1	1	1	1	1	1	1
989.0012@4.7542205	1	1	1	8785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
796.9377@4.752391	1	1	1	31145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2704	1	1	1	1	1	1	1	1
785.4955@4.821169	1	1	1	4595	1	7980	1	1	1	1	1	1	1	1	1	1	5664	1	1	1	1	1	1	1	1	1	1	1	3235	1	1	1	1	1	1	1	1
485.3706@4.774211	1	1	1	9499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
429.2725@4.7134643	1	1	1	10870	1	1	1	1	7385	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
951.9927@4.7882047	1	1	1	13354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
855.4604@4.8048587	1	1	1	33126	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2048	1	1	1	1	1	1	1	1	3161	1	1	1	1	1	1
855.9607@4.794931	1	1	1	26655	1	1	1827	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1819	1	1	1	1	1	1	1	1	1	1	1	1	1	1
586.9179@4.7962008	1	1	1	7185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
586.416@4.7972007	1	1	1	12344	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
243.2564@4.8011985	1	1	1	3696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
726.9446@4.8310895	14365	14379	1	17808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10912	15092	1	1	14837	1	1	1	1	1	1	1	1	11285	1	13889	14778	10258
497.3564@4.818191	1	1	1	9504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
915.4815@4.8331842	1	1	1	12526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1255.893@4.8506284	2807	1	1	23880	1	1	1	1	22964	3390	1	1	1	1	1	1	1	1	2192	1	1	1	1	1	12530	1	12211	1	1	1	1	1	1	1757	1	1	1
656.9739@4.862468	1	1	1	14791	4931	1	1	1	1	1	1	1	3670	1	1	1	1	1	1	1	1	1	1863	1	1	3525	13334	1	5984	1	1	1	1	1	1	1	1
635.9555@4.836183	1	1	1	7013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
914.9816@4.836183	1	1	1	18785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
914.4821@4.838182	1	1	1	10808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
635.4529@4.838182	1	1	1	11727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
700.9062@4.8421803	1	1	1	11771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
700.4063@4.84318	1	1	1	15404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
759.4319@4.845179	1	1	1	23737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
759.9291@4.847178	1	1	1	17524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
529.3643@4.8491774	1	1	1	5019	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
641.3817@4.859173	1	1	1	9983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
641.8843@4.8601723	1	1	1	5277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
818.9509@4.867169	1	1	1	23565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
818.4495@4.888902	1515	1	1	31137	1	1	1	1	1	1	3141	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5034	2517	1	1	1	1	1	1	1	1	1	1
642.959@4.883613	1	1	1	13827	4137	1	1	1	12408	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7717	1	6124	1	1	1	2521	1	1	1	1	1	1
643.4605@4.874166	1	1	1	9330	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1227.8616@4.8888397	1608	8083	1	16641	5160	1	1	1	19033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8077	1	1	1	1	1	1	1	1	1	1	1	1
271.251@4.889169	1	1	1	9020	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9293	1	1	1	9247	1	1	1	1	1	1	1	1	1	1	1	1	1	1
329.3029@4.8894563	1	1	1	6075	2694	7209	1	1	5956	1	1	1	1	1	1	1	1	3790	5320	1	1	1	5569	1	1	1	1	1	1	1	1	1	1	1	1	1	1
855.5213@4.900537	1	1	1	3336	17279	1	1	1	1	1	1	1	1	1	1	1	1	5414	1	1	1	10934	5596	1	1	4477	4796	1	1	1	1	1	1	1	1	1	1
370.355@4.8871603	1	1	1	5205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
436.2745@4.8972974	1	1	1	9463	27164	1	1	1	1	1	6730	1	1	4778	1	1	9728	14644	1	1	1	24469	13742	2109	1	15244	14023	1	1	1	1	1	1	1	1	1	1
414.755@4.895157	1	1	1	1890	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
974.0051@4.895157	1	1	1	8297	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
877.4716@4.908274	1	1	1	25231	5840	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6369	1	1	1	1	1	1	1	1	1	1	1
877.9733@4.9083185	1	1	1	20987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6303	1	1	1	1	1	1	1	1	1	1	1
973.5038@4.8981557	1	1	1	10859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
501.3322@4.9041533	1	1	1	14457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
483.341@4.9151487	1	1	1	12176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
317.2199@4.9151487	1	1	1	14400	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
608.4292@4.919147	1	1	1	11948	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
608.9296@4.921146	1	1	1	4790	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
582.3612@4.9241447	1	1	1	5166	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
256.2513@4.931142	1	1	1	5560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.1938@4.9351406	1	1	1	28180	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
452.3354@4.972352	1	1	1	2522	1	1	1	1	1	11564	1	2429	1	1	1	1	1	1	1	1	1	3464	7330	1	1	1	1	1	1	1	1	1	1	1	1	1	1
936.9954@4.9401383	1	1	1	12456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.2455@4.9453173	1	1	1	2565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2105	1	1	1	1	1	1	1	1	1	1	1	1
936.4953@4.9441366	1	1	1	15843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
611.908@4.912719	1	1	1	11255	1	1	1	1	1	3191	4742	4119	1	1	1	1	1	1	1	1	1	1	1	3184	1	2481	1	1	1	3132	14075	1	1	1	1	1	7023
722.4173@4.956132	1	1	1	12629	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
781.4402@4.9571314	1	1	1	20213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
781.9417@4.9571314	1	1	1	14903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
722.9202@4.9571314	1	1	1	8283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.4673@4.958131	1	1	1	11265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1299.9194@4.96	1	1	1	15485	1	1	1	1	13448	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.2927@4.9661274	1	1	1	1523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
840.9635@4.972125	1	1	1	16826	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
840.4632@4.972125	1	1	1	12104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
841.4653@4.9731245	1	1	1	11317	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
526.323@5.027578	1	1	1	1774	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2141	1	1
663.3969@4.983121	1	1	1	8619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
445.3037@4.9841204	1	1	1	11085	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
665.4725@4.990118	1	1	1	8472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1271.8889@4.9987583	1	1	1	11024	1	1	1	1	9522	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4967	1	1	1	1	1	1	1	1	1	1	1	1
Androst-4-ene-3alpha,17beta-diol diacetate	10743	1	1	23212	1	13380	6990	17544	6349	16799	1	7583	1	1	19704	1	1	1	1	1	1	8362	13606	1	4540	18020	17089	16692	1	10163	1	1	1	6554	1	4117	10303
900.4866@4.998115	1	1	1	8812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
899.4859@5.000114	1	1	1	7397	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
899.986@5.010355	1	1	1	14081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1997	1	1	1	1	1	1	1	1	1	1
Lasonolide A	1	1	1	59176	1	1	1	1	74823	78712	74447	74704	71161	68244	72288	73863	69019	1	45423	77210	50247	69199	72390	74596	78062	72730	46202	1	1	1	77045	1	63233	74423	63356	68055	66139
487.3145@5.0201063	1	1	1	19562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
630.4418@5.033101	1	1	1	9669	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
959.5069@5.0380993	1	1	1	5614	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
458.2879@5.052739	1	1	1	4689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19339	12686	1	1	9955	10384	1	1	1	1	1	1	1	1	1	1
406.1097@5.0519342	1	1	1	11323	85074	1	1	1	1	1	16446	1	5233	1	1	5760	8579	1	1	1	1	9286	6690	1	51639	1	1	1	3117	1	1	1	1	1	1	1	1
803.4586@5.053094	1	1	1	20454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
803.9541@5.0550933	1	1	1	10708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
345.2515@5.0560927	1	1	1	5541	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.9804@5.022402	1	1	1	7606	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3148	1	1	1	1	1	1	1	1	1	1
744.9323@5.0580916	1	1	1	6468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
744.4323@5.0580916	1	1	1	12079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.0002@5.0676312	3446	1	1	22211	1	1	1	6897	15940	1	1	9607	1	7200	10102	1	1	1	1	6647	1	1	1	1	12955	1	12040	1	1	1	9978	1	1	1	1	1	1
862.4751@5.065089	1	1	1	8544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
862.9763@5.0670886	1	1	1	11306	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
685.9126@5.079084	1	1	1	4560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1017.5331@5.082083	1	1	1	2281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
922.5008@5.082083	1	1	1	7418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
685.4086@5.085082	1	1	1	7551	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
792.4814@5.086309	8963	5667	1	12809	7015	8763	1	1	1	1	8072	1	1	1	11582	1	1	1	1	1	7108	7535	1	1	1	5410	1	8872	10961	1	1	1	11852	10896	1	1	8879
695.4823@5.102076	1	1	1	3564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
667.0734@5.1080737	1	1	1	3485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
981.0231@5.11907	1	1	1	5106	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
652.457@5.127067	1	1	1	7194	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
825.9684@5.138063	1	1	1	6996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
825.4671@5.1390634	1	1	1	10497	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
527.3674@5.1410623	1	1	1	7603	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
885.4901@5.1430616	1	1	1	4466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
626.3862@5.1450605	1	1	1	3334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
766.4437@5.1470604	1	1	1	6957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
884.9906@5.1470604	1	1	1	6686	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
766.9461@5.1490593	1	1	1	5428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
723.0147@5.1559677	6119	1	1	17067	9725	1	1	1	14158	1	6594	8404	1	1	1	1	7941	1	1	1	1	1	1	1	1	1	9403	8862	11147	3376	11063	8472	1	1819	1	1	1
473.2984@5.1580563	1	1	1	78913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
731.5054@5.22185	1	1	1	3174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1753	1	1	1	1	1	1	1
764.4115@5.166115	1	1	1	2488	6265	1	1	1	1	1	1	1	1	1	2083	1	1	3115	1	1	1	1	1	1	1	1	1	1	1	6373	1	1	1	1	1	1	1
944.5131@5.1650543	1	1	1	2987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
634.6839@5.1690526	1	1	1	2179	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
707.4233@5.1730514	1	1	1	5113	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
707.9256@5.17705	1	1	1	3053	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
708.9972@5.1790495	1	1	1	9322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
331.2352@5.1820483	1	1	1	15895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
709.4979@5.186974	2794	1	1	7262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2490	1	1	1	1	1	1	1	1	1	1	1	1	1	1
644.8954@5.1929274	11716	36942	1	31384	32625	1	29424	32487	1	27737	22765	29927	28996	1	1	1	1	1	28698	1	1	1	1	32765	1	30640	1	1	29038	1	28973	1	15645	1	1	1	24779
717.491@5.187047	1	1	1	5075	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
644.3934@5.19403	13373	1	1	54905	1	45899	31088	48071	1	1	58110	1	1	1	41576	23969	47214	54677	44703	51041	51115	38756	54463	51373	50269	56468	1	45452	53019	22679	1	36463	39147	45102	40794	41495	1
458.2784@5.210039	1	1	1	6975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
374.2557@5.2156963	1	1	1	3081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2841	1	1	1	1	1	1	1	1744	1	1	1	1	1	1	1
906.5027@5.2140384	1	1	1	7609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
907.0038@5.2220354	1	1	1	4003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
650.0269@5.2350316	1	1	1	2251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
753.5174@5.2410297	1	1	1	4128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
648.4013@5.2410297	1	1	1	4502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
488.6842@5.2572813	1	1	1	33721	1	1	11967	1	26701	1	1	1	1	1	1	1	1	14069	1	13576	12481	1	1	1	1	1	18080	13661	3793	10170	1	1	1	1	1	1	1
489.0192@5.2542396	1	1	1	21786	1	1	1	1	1	1	1	12920	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8928	1	1	9380	11537	1	1	1	1	8040	1
489.3534@5.239657	1604	1	1	10955	1	5315	1	1	11006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
745.5301@5.250143	1	1	1	9339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5145	1	1	1	1	1	1
729.4352@5.2610235	1	1	1	3024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
479.3408@5.270903	7114	1	1	16874	1	1	1	1	17675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
731.0118@5.2670956	1	1	1	9166	1	1	1	1	6908	1	1	1	1	1	1	1929	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
479.6756@5.2708983	3845	1	1	12893	1	6887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4574	1	1	1	1	1	5657	1
548.8386@5.2750196	1	1	1	3355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C40 H61 N O3 S2	7066	46582	1	36130	29936	34794	1	26953	32658	30132	33487	34090	32475	34374	1	28763	1	1	1	33163	32718	30087	31087	6040	34680	32850	30587	34843	29743	11408	21109	29355	1	1	14413	31954	32424
869.9939@5.301012	1	1	1	2410	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
689.4237@5.315008	1	1	1	2174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
504.0288@5.329862	1	1	1	31096	1	17031	1	1	22655	1	1	1	14907	14561	1	1	1	12772	1	1	1	1	1	1	20043	18454	1	1	1	1	10192	1	1	1	1	1	1
767.0409@5.3327084	1	1	1	10570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3490	1	1	1	1	1	1	1
480.2918@5.336003	1	1	1	3482	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
865.5696@5.3692894	31830	1	1	17493	58329	1	1	1	1	1	1	56338	73756	112962	4962	137139	1	73729	102359	39780	1	109357	1	1	67905	1	147152	1	28114	1	41033	1	1	1	46952	71740	102900
317.2201@5.302446	1	1	1	21562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14525	1	1	1	1	1	1	1	1	1	1	1	1	1	1
459.2827@5.3450003	1	1	1	35589	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
494.6853@5.3509727	1	1	1	14097	1	1	1	1	11319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6236	4917	5270	1	1	5376	1	1	1
749.02@5.3519983	1	1	1	2404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H51 N18 O4 S	1	1	1	97137	70046	1	1	1	46154	1	28671	1	54364	65432	28662	37544	35906	46328	19664	25241	1	103727	74563	1	29623	58492	45893	1	1	23332	1	42310	1	1	1	1	1
784.4778@5.3729515	1	1	1	2479	1	1	1	11474	1	1	5038	1	3367	1	1	1	1	1	1	5477	1	5817	1	1	1	1	1	1	1	3377	1	1	1	1	1	1	1
360.2401@5.3719625	1	1	1	4189	1	1	3809	1	3677	1	1	4535	3821	1	1	1	3139	1	4193	3756	1	1	3288	1	1	4047	1	1	1	1	1	1	1	1	1	2890	1
424.3656@5.3699937	1	1	1	10451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C44 H58 O S3	15629	1	1	20689	27005	1	27709	10344	1	1	1	1693	1	1	20590	8740	7589	34136	1	1	1	8059	1	1	27108	1	21056	1	1	38200	1	1	1	1	1	11032	14490
875.5857@5.3975453	19044	1	1	21814	1	1	1	1	1	1	30537	1	1	1	36896	1	1	1	23552	1	1	1	1	1	1	21459	26969	1	1	1	1	1	1	1	1	260591	128798
129.1012@5.3903866	1	1	1	29065	1	1	1	1	1	1	1	1	38534	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
768.0371@5.396987	1	1	1	3206	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
518.7042@5.4061313	1	21818	1	35904	14915	1	1	1	1	16094	17048	1	1	13974	15822	17297	1	1	1	15614	1	18418	1	16989	24338	19635	25672	1	1	9271	1	1	1	1	1	8869	1
509.0263@5.421051	1	1	1	44447	1	13842	13447	1	23664	1	1	1	1	16325	16761	12713	1	14287	15509	14537	15532	1	1	15550	27524	1	1	1	19097	1	1	1	1	9471	1	1	1
508.6916@5.4214234	1	24055	1	60564	1	19035	18922	1	1	18233	18928	15667	19224	18320	1	17964	1	19987	1	16631	1	22254	16714	18058	34271	23318	25900	1	24059	18951	19615	17428	1	1	14825	1	20627
PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	70644	128552	1	144215	1	1	1	62592	1	81724	1	85847	82911	93055	48989	72203	69774	66596	1	1	71706	1	80837	99598	86522	1	79228	79804	85591	68819	1	82933	77320	1	1	1	65263
903.5907@5.4127064	1	1	1	4263	1	1	116008	1	1	10284	54748	1	66359	60054	1	55214	1	90790	55473	30698	1	44867	36906	1	1	1	9292	1	37981	1	1	1	1	31264	22883	125005	371701
456.4034@5.421131	2233	1	1	16494	1	1	1	1	1	1	1	1	6460	1	1	1	1	1	1	1	1	1	1	1	1	8672	1	1	1	4675	1	1	1	1	1	1	1
801.5354@5.4315677	1	1	1	25745	1249837	1	1	1	1	1	1342816	1	1	1	1066144	1057449	1	1	1	1	1	147219	1	1	1	42383	1	1	1	51194	1	1	1	1	102138	109361	1
795.5334@5.4927382	1	1	1	18155	1	1	1	1	1	1	1	1	1	1	1	374810	1	1	1	1	1	329618	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H44 N5 O2	5190	1	1	65517	1	1	1	40408	1	1	16907	1	1	1	28900	21547	1	18316	23451	19671	18815	1	18957	26463	1	34889	25188	1	19703	9552	1	1	19352	1	21045	1	29084
907.6231@5.418362	27750	1	1	13249	1	1	80169	113433	1	1	16071	2630	9367	1	1	1	20267	101636	52795	19794	1	24449	19121	1	1	1	29646	1	1	60357	1	1	1	9397	1	74914	45851
1133.7703@5.442627	12726	1	1	5856	9489	1	65191	68399	1	1	7803	1	1	1	54617	1	1	68374	40990	1	1	7842	1	1	1	17927	52719	1	1	23981	1	1	1	1	1	45569	44912
300.2777@5.4298964	1	1	1	20955	1	1	1	1	10089	1	1	1	2396	1	1	1	1	1	1	1	1	1	1	1	5401	9363	9388	1	1	1484	4625	1	1	1	1	1	1
895.5309@5.4105315	11401	215432	1	40329	1	170251	1	1	1	1	107771	152318	153166	113516	1	133059	94875	1	1	119245	206925	1	106908	190670	84315	1	1	92334	110524	1	216098	216500	196358	147146	201772	1	279779
879.5921@5.4323483	70631	37661	1	38232	1	1	163156	146654	39775	1	109206	1	36600	75462	90425	1	1	143350	100088	1	1	1	76709	1	116548	45440	169851	1	54957	148469	1	1	1	48856	1	1	115523
861.6021@5.411193	1	126340	1	145454	981829	1782209	65089	27136	1	53538	40398	66283	45487	1	1	1	34730	1	1	65273	1	1	50218	74543	1	1	91193	92626	19339	12120	74012	89509	54384	90358	1	484384	1
875.6356@5.431898	381829	23073	1	78209	1	65926	666649	814632	1	62449	270286	36571	108946	99799	1	308290	178127	668560	1	1	1	263676	175195	65649	127050	1	1	1	138196	419454	1	76837	41435	43377	113293	1	1
840.5688@5.450354	292452	1	1	55959	1	1	1	1	1	1	1	1	1	1	290822	1	1	1	1	1	1	1	1	1	1	277447	233354	1	1	1	1	1	1	1	1	1	1
C39 H69 N6 O2 S2	8541	1	1	5638	15660	1	22595	25017	1	1	10428	1	1	5404	10302	10643	1	28767	15455	6206	1	8140	6458	1	1	1	1	1	1	10283	1	1	1	1	1	29523	12934
807.576@5.4517007	1	1	1	644929	1	1	1	1	1.17E+07	2473339	1	1	1	2123346	1	1	1	1	1	1	1	1761030	1	1	1	1	1	1	2036538	1	1	1	1	1	1	1911994	1
864.6186@5.4240813	1	1	1	138025	924075	1501419	1	84105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	490430	1
963.6117@5.4366264	1	1	1	2956	1	1	1	45510	1	1	1	1	1	1	1	1	1	1	1	1	1	10897	1	1	1	1	1	1	3015	1	1	1	1	1	1	32400	33018
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	1	150845	1	322421	502307	191295	1	990343	1	185272	625859	245452	257202	483508	924358	855454	458551	1	812588	312182	97804	877869	522405	1	296682	586105	634643	163858	304039	818240	141905	1	1	277597	120498	815068	1567335
827.5435@5.4472814	640335	3691427	1	542925	319060	1	2239859	902819	1	1	1750132	2863809	467395	1	569984	1	1	1159881	1323234	1	1	1	1	1	527726	545041	900342	1	349051	1	1	1	1	321544	1	1	1107173
854.5482@5.4579725	1	1	1	30147	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
819.535@5.4472933	1	225354	1	109001	1	39214	1	784342	113406	107353	1	3178	1	276186	192657	272131	1044628	1494837	241614	203863	275138	250740	1	153940	227666	1	245227	1	112025	155821	5652	1	227321	1	1	221593	230491
855.5672@5.4284515	361143	1	1	185982	427428	40319	1	1	471303	1	359819	1	1	1	1	1	1	1	1	270942	21527	380664	615210	1	1	1	1	493486	1	1	398345	1	1	1	488946	579878	312867
939.5414@5.449108	1	1	1	16303	1	1	1	1	1	1	1	1	1	1	20065	1	1	1	18099	1	1	1	1	1	1	1	1	1	12789	9430	18153	1	1	1	1	1	1
891.6453@5.4473133	6807	336326	1	85196	1	351024	86331	99633	1	1	1	779407	381620	1	42809	286337	249883	75217	81190	211531	424657	270744	508938	360361	106910	46763	1	427964	304100	128161	400151	523234	615093	327728	321394	66724	124998
389.7735@5.4660034	1	1	1	4298	28683	1	1	1	1	1	12154	1	1	1	1	1	11316	1	6944	7112	1	2502	1	1	1	1	6298	1	1	1	1	1	1	1	1	14146	1
834.5951@5.4739695	1	1	1	330072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
858.5863@5.4375677	1	1	1	42794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55094	22170	1	1	1	1	1	1	1	39413	1	1	1	1	47825
843.5948@5.4255877	309170	1	1	109717	1	1	408443	143441	1	1	129615	1	1	1	107460	147600	1	283901	117256	1	1	106861	110489	1	23193	82138	1	1	70439	112007	19728	1	1	104499	1	284432	148895
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))	1	44195	1	62069	1	40094	1	1	270160	1	29118	1	28365	1	1	1	57876	917138	1	22283	1	43484	1	28706	1	319514	363509	28302	19910	134007	31589	1	124909	1	1	1	1
533.0456@5.492252	1	1	1	87686	1	29045	1	32703	34362	1	27619	21171	20796	1	1	27242	1	1	1	1	1	1	24254	1	42865	39003	47747	23996	34618	1	24877	1	1	1	1	25439	1
778.5337@5.4937444	1	1	1	32038	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71011	1	1	1	1	1	1	25092	1	1	1	1	1	1	1	1	1	1
533.3802@5.4966574	3541	1	1	42772	1	12970	1	1	20247	1	1	1	1	1	1	1	1	1	17181	1	11845	1	1	6202	23801	1	1	1	15888	5483	1	1	1	1	1	1	1
428.3722@5.5089617	1	1	1	57979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
370.3189@5.5131054	1	90671	1	204647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
408.2753@5.510961	1	1	1	7803	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
792.0477@5.5033545	1487	65798	1	40789	1	1	1	1	1	125755	1	40423	110057	86221	1	1	81379	1	1	44377	146554	1	99635	153630	1	1	1	70606	1	21264	1	128875	102450	1	72076	1	1
776.54@5.509741	1	1	1	183637	1	1	1	1	71356	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43060	1	1	1	42032	57650	1	1	1	38929	47453	44135	1	1
356.2286@5.520007	1	1	1	24767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17536	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
695.43@5.5232377	1	1	1	64118	69486	1	26740	1	1	1	19238	1	34188	40456	1	17895	1	29372	20805	1	1	73198	44320	1	1	46523	1	1	1	10264	1	22721	1	1	1	18519	24354
523.3668@5.514295	1	1	1	52202	1	18375	1	1	27717	1	1	1	1	1	21028	1	1	1	1	1	17374	1	1	1	31005	1	28800	1	1	1	1	1	1	1	1	1	1
983.5244@5.5964117	4792	4988	1	5293	1	1	1	1	1	8360	1	36762	9988	1	9682	1	1	1	8682	1	3664	1	1	1	6301	1	1	1	1	1	1	1	1	1	1	1	1
523.7015@5.515849	9659	1	1	39405	1	1	1	1	18550	1	4772	1	1	1	1	14044	1	1	1	1	1	1	4211	1	21968	1	1	1	1	1	1	3330	1	1	1	1	1
348.1582@5.517408	1	1	1	6740	8529	1	1	1	1	1	21690	1	12874	1	1	1	1	1	1	1	1	72158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
772.5454@5.4814577	1	1	1	220401	1	1	1	1	1	1	1	1	1	1	169261	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
829.5925@5.5164886	1	1	1	59957	1	1	1	110795	1	1	1	1	1	1	490547	1	1	1	1	1	1	1	1	1	730895	198229	437509	1	1	1	1	1	1	1	1	1	1
841.6291@5.5152364	78998	1	1	193423	1	1060532	1	327332	831663	1215697	1094138	1	622995	808845	251560	576647	756250	559773	771389	1254911	1106350	1	734503	1474353	231263	253936	237964	790684	851361	177626	869895	750844	952511	827710	1233685	984939	534628
797.0514@5.4963565	1	1	1	15762	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6762	1	1	1	1	1	1	1
Pedunculagin	1	1	1	6770	1	25675	1	6226	1	38108	19524	1	30120	26757	1	30579	1	1	1	31259	54451	27618	21789	1	1	1	1	35725	67466	25378	1	41685	45705	8260	58335	1	1
793.5273@5.5160513	1	1	1	334784	1	1	1	1	1	1	1	1	1	1	1	125683	140478	1	814459	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
959.5324@5.528958	1	1	1	5467	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.5202@5.5426784	1	1	1	6689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11055	12073	1	1	3040	1	1	1	1	1	1	1
860.642@5.5387945	1	1	1	12584	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24433	1	1	1	1	1	1	1	1	1	1
868.6494@5.5427103	1	1	1	58908	1	108129	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53299	1	1	1	1	567481	1	1
773.5578@5.5298133	1	1	1	724925	4320553	1	1	1	1	1	1185848	1	1	1	1	1	1	1884350	1	598182	1	1633413	1	1	2151225	1	1	1	395927	1	1	64082	95421	551074	1	1	1334531
783.5768@5.510349	2228748	1	1	2345582	2.97E+07	2.32E+07	1.29E+07	3720806	2.31E+07	1.45E+07	1.97E+07	1.40E+07	1.14E+07	1.47E+07	2627308	1.04E+07	9312135	9775986	7595783	1.94E+07	8136348	1	1	1.63E+07	2339356	2697486	2767642	1.60E+07	8860440	4083684	1.78E+07	1.16E+07	1.06E+07	1.48E+07	1	1.80E+07	5214747
236.9664@5.565305	5515	1	1	2275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
940.5239@5.5207443	27109	1	1	35074	1	3379	1	1	1	1	5438	1	1	1	1	1	4801	1	1	1	1	1	1	1	1	29658	1	1	1	1	1	1	9547	1	1	1	1
927.6549@5.4838123	8487	1	1	4110	1	1	41640	48184	1	1	15629	1	1	1	1	16919	1	78225	64477	1	1	1	1	1	32477	1	77550	1	1	2891	1	1	1	1	1	38608	30479
378.2746@5.536319	1	1	1	21300	109319	1	23083	1	1	1	27416	1	16812	29608	1	1	33679	29257	32236	1	1	40687	23150	1	43733	58235	47238	1	1	1	1	1	1	1	1	1	30063
938.5474@5.5436506	1	1	1	4713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4082	1	1	1	1	1	1	1
1073.5374@5.587301	1	1	1	5213	1	1	1	1	1	3346	3956	3687	1	4488	5521	1	7028	1	10262	1	4632	1	6836	5623	4313	4853	1	4722	7906	1	1	5792	4952	1	1875	1	6836
968.5509@5.549752	12135	1	1	37865	1	1	1	12807	1	1	1	1	1	1	8900	1	10532	1	1	1	1	1	1	1	20357	11237	1	1	1	1	1	1	1	1	1	1	1
168.9785@5.5389557	1	1	1	18327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
978.5699@5.550081	1	1	1	7171	1	1	7805	1	1	1	1	9099	13717	1	4083	1	1	1	1	6538	19097	8124	1	21486	1	1	1	1	1	9676	1	8958	17734	8352	1	1	8747
767.5814@5.5160875	1	1	1	47125	1461045	1	603081	1	880322	453917	574419	480053	720302	924286	1	636997	507877	111590	335561	618979	503218	1	285425	904700	62853	34332	16255	694417	654723	42560	1008015	736979	794382	1	386694	638721	101553
1537.1031@5.5328217	1	1	1	7771	107689	1	1	1	1	174529	158745	1	1	1	1	1	1	1	1	164747	1	1	1	1	1	15138	1	1	1	72411	1	1	1	1	1	1	1
1121.6602@5.545012	1	1	1	13516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8260	1	1	1	1	1	1	1	1	1	1	4532	1	1	1	1
1052.5596@5.543955	1	1	1	3736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
971.5586@5.556093	2654	1	1	2295	1	1	1	1	1	1	1	1	1	1	3625	1	1	1	4979	1	1	1	1	1	4851	1	1	1	1	1	1	1	1	1	1	1	1
845.6467@5.548954	1	1	1	7143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
303.2043@5.553953	1	1	1	211756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
946.5669@5.564532	38364	1	1	15188	1	1	1	19957	1	1	1	1	1	1	18567	1	1	1	21437	1	1	1	1	5868	1	1	25165	1	1	1	1	1	1	1	1	1	1
1044.0872@5.5866904	1	12831	1	9697	5518	1	8866	1	1	1	7396	1	4814	1	1	1	3645	1	1	1	3135	1	1	5372	1	1	1	3684	1	2788	1	6079	5507	1	7348	1	1
183.0679@5.585453	39216	10309	1	38666	1	1	1	21460	1	1	1	1	1	1	24026	1	1	1	1	29271	1	41441	1	16718	16533	29678	19460	1	1	12123	1	1	16187	1	1	1	14261
847.602@5.576359	1	1	1	6622	1	1	74170	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9590	1	48262	1
911.8114@5.5679507	1	1	1	3798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
816.6182@5.56995	1	1	1	678187	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
241.1212@5.575105	10787	1	1	12173	1	1	1	5474	1	1	1	1	9774	1	5986	1	1	1	1	1	1	1	1	1	1	6291	5078	1	1	1	1	1	1	1	1	1	1
978.5687@5.591968	6705	1	1	26103	1	1	1	10519	1	24146	16027	1	8859	22161	11213	21500	6747	1	18649	16776	24688	1	18891	12766	20762	1	1	31867	35360	6029	17708	23447	20200	13941	1	1	14354
1032.5833@5.5804243	1	1	1	4621	1	3519	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1121.659@5.5954666	1	1	1	8485	1	1	1	1	1	1	1	1	1	1	1	1	11929	1	1	1	1	2148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1051.555@5.5904965	1	1	1	19264	1	1	1	16158	1	1	8992	1	10754	1	14416	1	1	1	1	1	1	10580	1	1	1	6074	11768	1	1	11897	1	6001	1	15485	14533	11402	1
293.9928@5.607415	1	1	1	16354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4540	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
732.5492@5.636819	1	1	1	116082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11714	1	1	1	1	1	1	1
812.5663@5.5949464	1	1	1	121944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
970.5465@5.612069	1	8932	1	15131	1	5149	1	1	6000	1	8840	4801	5298	1	1	1	1	1	1	10204	1	1	1	1	1	1	5616	4647	5069	5798	6488	4700	3821	6330	7002	13729	23840
547.7209@5.6037035	1	1	1	66901	1	29843	1	29499	35097	10515	1	1	1	1	1	1	1	1	1	3489	23833	1	21326	1	36386	1	1	1	1	10893	1	1	1	1	1	22327	1
548.0552@5.600423	1	1	1	36755	1	13322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
879.4736@5.6081953	1	1	1	4852	1	1	1	2578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3075	1	1	1	1	1	1	3298	1	1	1	1	1	1
940.5562@5.6066804	16564	3160	1	4737	1	7912	1	1	7045	10679	8752	1	1	5061	17910	1	4250	1	1	4680	10598	1	1	8526	1	6661	1	7834	11446	17775	11553	1	7297	1	1	1	1
445.2673@5.602945	1	1	1	28001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
916.5259@5.6299686	1	1	1	4542	1	1	1	1	1	1	1	2771	1	1	1	1	11933	1	1	1	6534	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1159.33@5.6135955	1	1	1	7960	48320	61385	9606	1	52263	1	1	25081	53487	60633	1	1	36448	1	29107	1	17775	1	57086	30668	1	8970	5420	1	1	19767	1	24354	1	41303	15910	1	26195
239.2251@5.6186376	1	19059	1	14747	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4579	2817	1	4890	1	1	1	3209	1	1	1	1	1	1	5696
780.0462@5.631673	1	3885	1	55756	1	1	1	1	55015	168684	56334	82000	73755	169689	39705	1	136202	1	1	44697	132276	1	2465	127125	1	1	42050	139556	1	1	1	61339	122329	122353	77573	1	104707
538.7109@5.6124277	5059	5236	1	17164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4535	1	9725	1	1	1	1	2140	1	1	1	1	1	4985	1
795.5191@5.607537	1	806762	1	219255	1	499315	1	1	1	426133	1	1	150764	1	1	1	116752	1	1	239519	304605	153814	351153	252195	1	1	1	375106	340658	146280	312094	294173	296588	1	273872	1	176078
380.2437@5.624347	1	20706	1	26991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7581	1	1	7553	1	1	1	4772	1	1	1	1	1	1	1
538.3766@5.6209064	10444	1	1	35729	1	1	1	1	21803	1	11052	1	1	1	1	1	1	1	1	1	1	1	11167	1	21488	1	20654	1	15070	10843	8599	1	1	8158	1	10832	10801
177.1364@5.619942	1	1	1	160434	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
847.5336@5.6206393	1	465497	1	80752	1	130370	1	1	93527	152217	1	93622	126525	208764	182760	167386	115272	1	138494	83527	127740	111916	1	91744	73399	97138	116219	135802	126708	35777	112781	126669	85507	87272	123278	1	78217
333.2151@5.63494	1	1	1	16325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
919.5741@5.620721	1	1	1	6772	1	1	1	1	1	1	1	1	18011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8373	1	1	18161	1	1	1	1
378.2415@5.6670537	1	1	1	56869	38777	20029	1	1	1	25132	1	1	28179	1	1	23848	21748	1	1	1	1	45435	33498	1	26414	40351	38295	1	1	1	1	25669	1	1	1	1	1
378.7432@5.6623354	1	1	1	16040	1	1	1	1	1	1	1	1	10400	1	1	1	1	1	1	1	1	17910	1	1	5969	9205	1	1	1	1	1	1	1	1	1	1	1
546.3313@5.6599364	1	1	1	4400	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
322.1735@5.6709347	1	1	1	8186	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
825.528@5.678001	34360	1	1	21746	1	1	1	1	1	1	1	1	1	1	79640	1	1	1	1	1	1	1	1	1	110523	156701	191125	1	1	1	1	1	1	1	1	1	1
400.4138@5.693932	1	1	1	2077	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
415.2046@5.703931	1	1	1	3879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
812.6108@5.6494627	1	1	1	73603	1	1	560071	1	1	1	1	1	1	1	75514	1	1	1	1	1	1	1	1	1	1	1	77346	1	1	1	1	1	1	1	1	1	219941
821.0648@5.7101855	2633	1	1	41265	1	21628	1	1	1	1	1	1	14196	14248	1	1	1	1	1	16740	1	1	12490	1	1	1	15910	1	19242	8258	14457	1	1	1	1	1	1
820.5668@5.7160354	1	1	1	44735	40665	28552	1	1	56534	1	1	1	1	29195	16402	1	1	1	1	15022	1	1	1	1	20309	15626	1	25989	36088	15290	1	16581	1	1	16185	1	17748
817.5823@5.7435884	1	1	1	54076	907497	1	1	1	1	1	136498	1	1	81218	1	112335	1	1	1	1	1	1	1	1	1	1	1	1	25603	55463	23188	1	1	1	1	209843	93039
657.3999@5.757409	1	1	1	13622	190004	1	15260	1	1	1	17724	1	14969	15170	29613	27973	1	1	1	1	1	1	32306	1	1	36254	32480	17567	8874	1	1	1	1	1	1	14919	1
577.0716@5.7792177	1	1	1	15043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7126	6521	1	1	9572	1	1	1	1	1	1	1	1
857.0935@5.788369	8273	1	1	20659	1	10284	1	8011	13538	1	1	1	1	7149	1	6446	6278	1	1	1	1	1	8927	1	1	1	1	1	1	1	1	1	1	5699	1	1	1
C35 H71 N2 O8 S3	45590	1	1	25980	1	1	62850	67683	1	1	20249	1	1	1	72798	1	1	74573	53628	1	1	1	1	1	66370	33404	113766	1	1	41021	1	1	1	1	1	52579	39329
1008.6339@5.834056	1	1	1	10096	12199	12889	1	1	14053	1	1	1	20187	1	1	1	1	6201	7060	1	1	1	8510	1	1	1	1	1	1	1	10230	1	1	1	5917	1	5593
928.577@5.8229046	1	1	1	4817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3957	1	1	1	1	1	1	1	1	1	1	1	1	1
811.4228@5.8219185	20269	1	1	7736	1	1	23931	33408	1	1	4669	1	1	1	28792	6401	1	36087	18399	1	1	1	1	1	25148	9821	37445	1	1	14362	1	1	1	1	1	10551	1
821.4441@5.828753	13965	1	1	1694	1	1	6101	1	1	1	1	1	1	1	1	1	1	11838	1	1	1	1	1	1	16038	1	19767	1	1	5167	1	1	1	1	1	1	1
348.176@5.8291907	1	1	1	6373	1	1	1	1	1	1	1	5449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3931	1	1	1	1	1
641.3576@5.8311167	1	1	1	3621	1	7904	1	10015	1	1	10131	5576	1	1	1	6778	4952	1	4691	9583	1	8119	1	1	1	1	1	7639	1	1	1	1	1	1	2666	3788	1
1327.757@5.835857	1	1	1	7146	1	1	1	1	1	1	1	1	6811	1	1	1	1	1	1	8068	1	9125	1	1	1	1	5545	1	4907	1	1	1	5854	1	1	1	1
1121.4944@5.8249207	1	1	1	2052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
779.5439@5.913613	118570	180018	1	191724	1	1	1	1	1	624664	21554	1	1	24949	1	1	24726	18808	25822	22252	157170	1	20780	147547	7662	9788	1	130969	123512	26492	18428	159549	161358	21697	9223	20075	16111
842.5707@5.838246	1	24217	1	25737	1	1	38723	1	1	1	1	1	1	28030	1	1	1	30502	14236	10183	1	1	20946	1	1	1	1	1	1	24158	24115	1	1	1	1	39146	19993
793.5598@5.819889	24155	1	1	24881	1	1	1	1	24368	1	1	29682	1	1	53497	39548	1	23151	1	1	1	1	42219	1	14859	1	1	30607	1	16719	1	1	1	1	1	1	20532
838.3336@5.8381658	1	6405	1	4881	1	5958	1	1	5486	1	7336	7401	1	5023	1	1	4333	1	1	8106	1	11101	1	1	1	1	1	1	1	1	1	4948	1	1	3473	1	1
416.7576@5.828326	1	1	1	8969	32086	1	1	6879	1	1	10402	1	1	1	22681	1	7626	9859	1	1	1	1	1	1	13079	28633	32765	1	1	2589	1	1	1	1	1	1	1
1456.7239@5.8276844	1	1	1	4095	1	1	1	4815	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
815.5647@5.834966	1	1	1	18790	1	1	1	1	8828	1	19304	5408	1	1	9198	1	1	1	1	1	6121	1	18269	1	97790	1	1	1	12967	17529	1	1	1	1	17554	60826	1
843.0736@5.8333025	2740	1	1	24554	31413	1	1	1	1	5929	1	1	12131	1	1	1	8632	1	1	1	1	1	1	1	1	1	14640	1	1	1	1	1	1	3887	1	1	13541
782.5627@5.9263077	214444	1	1	259374	1	244525	1	128546	1	1	1	39787	47360	25228	261464	1	26266	29604	25695	34559	31396	30422	29555	48662	1	35404	1	30787	1	57895	1	26289	176486	29932	107964	22184	1
517.7509@5.8336535	1	1	1	2109	1	1	17539	18360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7483	1
985.5225@5.834144	1	19726	1	15381	29091	15019	1	1	18533	1	1	1	18914	15248	1	1	18363	1	1	17860	17780	1	1	14426	1	27810	1	15503	1	1981	1	22351	14913	1	10112	1	1
C26 H33 N16 O	7153	1	1	7810	18601	1	28672	20360	1	1	1	1	8882	8178	14223	14098	10472	20520	6621	1	1	12134	11339	1	8778	10872	10259	1	1	5360	1	1	1	1	1	16531	21028
859.5639@5.8307214	1	1	1	21301	1	1	1	1	1	1	1	1	1	1	1	1	9406	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
155.0925@5.834319	1	1	1	52676	1	1	29159	1	1	1	20310	1	1	1	1	17176	1	1	1	1	1	18449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
755.5435@5.856546	1	61588	1	33698	1	1	1	25209	1	1	1	8634	1	1	1	1	1	54015	1	1	32633	1	6592	31505	39969	1	54767	36850	25883	1	43667	33798	29145	1	25754	1	1
941.557@5.826058	1	11817	1	14559	30716	1	33814	1	1	1	15332	1	1	9373	1	78163	18609	33364	108793	13302	1	9128	1	1	1	17148	1	1	1	1	1	1	1	1	1	26183	1
944.5523@5.85528	35936	1	1	33893	111158	1	100509	1	1	1	1	1	1	1	16490	53940	1	81754	7287	1	1	1	1	1	27990	31172	28299	1	1	1	1	1	1	1	1	79251	1
481.7688@5.8319287	35312	1	1	19709	1	1	11193	6342	1	1	1	1	1	1	38033	1	1	54160	46481	1	1	1	1	1	29048	28576	60368	1	1	1	1	1	1	1	1	1	1
768.5539@5.8350315	1	1	1	11004	1	1	1	1	1	1	1	6041	1	1	8945	1	8386	1	1	1	1	1	9217	1	1	1	1	1	9767	7075	12308	1	1	1	1	11047	1
PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	12133	51913	1	14680	91323	62675	1	13686	72795	1	1	39816	1	42015	12396	39250	39147	48875	1	29106	27480	14968	27536	45848	1	1	1	43035	36215	28144	6227	47629	32862	58792	31041	32637	20188
947.5138@5.8618326	20716	1	1	11815	45680	1	26043	1	1	1	13245	1	1	24758	28398	1	14366	1	14362	1	1	21115	6904	1	22713	1	27839	1	1	23982	1	1	1	22596	1	20006	12216
681.3969@5.8403583	10429	1	1	3921	29499	1	1	1	1	1	1	1	1	1	10133	1	1	1	1	1	1	1	4545	1	1	12139	1	1	1	1	1	1	1	1	1	1	1
925.5305@5.8549476	1	1	1	10781	1	1	10168	31400	1	1	1	1	1	1	1	11468	1	1	21461	1	1	1	1	1	1	43479	1	1	1	21391	1	1	1	1	1	1	1
863.0557@5.8321443	6216	1	1	10141	15794	1	1	1	7211	1	1	5575	5981	1	8418	9275	4987	1	1	4035	1	1	1	1	1	1	1	1	10074	12209	1	9730	5376	12025	1	1	9918
935.5178@5.8346753	1	1	1	11859	1	1	1	26791	1	1	9300	1	1	1	28076	1	1	1	1	1	1	1	1	1	11831	28700	1	1	1	1	1	1	1	1	1	1	1
771.4297@5.8413467	36056	1	1	9033	12034	1	17230	28178	1	1	6934	1	1	1	21389	6972	1	14629	31969	1	1	1	3717	1	63454	14489	57782	1	1	14105	1	1	1	1	1	9956	1
931.0431@5.830514	1	1	1	2687	1	7020	8818	1	5159	1	1	3767	1	1	2861	1	1	1	1	1	1	1	5285	1	1	1	1	1	1	6441	1	1	1	8079	1	1	1
289.1888@5.8409195	1	1	1	30947	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
857.0939@5.847397	1	11504	1	18697	1	1	1	1	5240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
681.4572@5.8623586	55270	1	1	15223	18124	1	1	74662	1	1	1	1	1	1	42183	6177	1	1	82028	1	1	1	1	1	188267	1	110976	1	1	26291	1	1	1	1	1	31578	17585
113.0701@5.8699183	1	1	1	39142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
789.6148@5.9198265	1	1	1	5061	1	1	1	1	1	52735	1	1	1	1	1	1	7008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18696	1	1	1	1	1
105.9432@5.8889513	10276	20646	1	9883	1	9962	1	1	11143	1	1	1	13513	1	1	1	9499	1	6120	21368	1	27927	1	8283	6035	1	1	1	1	1	1	7974	8790	1	6644	8109	1
480.1614@5.8919177	1	1	1	1786	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
511.7736@5.9139156	1561	1	1	2301	1	1	1	1	1	2751	1	2394	1	1	1	2366	1	1	1	2481	1	1	1	1	1	1	1	1	1	2765	1	1	1	1	1	1	2852
443.1971@5.906747	2471	1	1	7322	7264	1	3467	1	4197	1	1	1	1	4500	1	1	1	3226	1	1	1	14493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
848.4379@5.907909	1	1	1	8640	1	1	3411	1	1	1	1	1	5771	1	1	1	1	1	1	1	1	14339	3274	1	1	1	3518	1	1	1	1	1	1	1	1	1	1
427.8123@5.9045186	1	1	1	2492	1	1	1	1	1	1	1	1	1	2094	1	2226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Lovastatin acid (Mevinolinic acid)	11705	1	1	30411	1	15381	11825	1	12538	1	1	76424	13286	17634	17467	15939	14619	10409	16446	1	16903	1	26303	1	1	1	1	7877	13538	12536	11026	1	12790	1	1	10848	1
319.1999@5.906917	1	1	1	8188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
457.7615@5.9014173	42160	1	1	2441	1	1766	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3905	1	1	1	1	1	1	1	2505	2857	1	1
845.6205@5.9150906	1	1	1	5272	1	1	1	1	1	2530	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7468	8004	1	1	1	1	1	3056	1	1	1	1
320.124@5.9141793	8038	1	1	7854	1	5379	7244	1	6437	1	1	1	1	1	1	1	1	5110	1	5965	1	6449	1	4101	1	4669	1	1	1	1	1	1	1	1	1	1	1
330.9724@5.921791	6118	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	1	1	1	1	1	1	1	1	1	1
168.0306@5.9188466	1	1	1	2219	1	1	1	1	1	1	3225	1	1	1	1	1	1	1	1	1	1	1	1	4765	1	1	1	1	1	1	1	3954	1	1	1	1	1
C6 H2 N O4	1	1	1	21728	1	16054	1	1	5966	19251	1	1	1	1	1	1	20092	1	1	1	1	1	17724	18145	1	1	1	18884	8346	8312	17426	1	1	1	17053	6337	15546
945.477@5.9228377	16423	1	1	7178	1	1	1	18748	1	1	1	1	1	1	15862	1	1	11960	11082	1	1	1	1	1	11117	1	18703	1	1	1	1	1	1	1	1	1	1
466.9474@5.9385047	3263	5612	1	3429	1	1	3647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
645.4@5.9284806	1	1	1	8359	56702	1	1	1	1	1	1	1	1	1	8711	1	1	1	1	1	1	1	1	1	1	18984	10172	1	1	3987	1	1	1	1	1	1	1
534.933@5.935378	1	1	1	2445	1	1	1	1	1	1	2346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
502.0578@5.9459195	1	1	1	4191	1	6981	1	1	1	1	11418	1	1	1	1	1	1	1	1	13664	1	9577	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
862.5278@5.9425926	34613	1	1	32310	72917	1	1	1	1	1	1	1	1	1	70190	1	1	1	33226	1	1	1	1	1	33102	1	1	1	1	1	1	1	1	1	1	1	1
C6 H11 N3	311390	337535	1	425955	464894	352903	438552	284529	411471	321343	557646	445556	480714	317634	352524	334208	349337	342966	271828	595017	337703	653390	277022	375830	285096	310729	342488	275486	231514	727349	302538	319902	308419	311833	274243	321852	310970
861.5244@5.9518743	1	1	1	26875	1	17590	1	1	6634	1	1	50307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25458	1	1	22716	1	1	1
741.4207@5.9338427	1	1	1	24711	1	1	34262	34995	1	1	1	1	1	1	1	1	1	20863	1	1	1	1	1	1	1	1	1	1	1	16633	1	1	1	1	1	1	1
106.0417@5.965392	1	1	1	2443	1	1	1	1	4840	1	6743	1	5842	2924	1	1	1	1	1	11193	1	1	1	7920	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H49 N2 O3 S3 + 5.947642	1	1	1	4744	1	1	20098	14244	1	1	9052	1	6602	1	9469	1	8988	15338	1	1	1	17534	5566	1	4400	1	1	1	1	4309	1	1	1	1	1	11160	12470
827.5312@5.9472017	1	1	1	69840	1	1	328809	392936	1	1	1	1	63857	1	1	1	107719	152631	106645	54049	1	1	1	1	1	172551	201839	1	1	88254	1	1	1	16711	23782	266310	1
931.5004@5.9567018	1	1	1	23894	1	1	1	1	1	1	74721	3441	1	1	56787	1	63412	92050	13971	1	1	1	29196	1	1	6972	1	1	1	1	1	1	1	1	1	1	1
739.4225@5.916641	7431	1	1	3726	1	1	9239	1	1	1	1	1	1	1	10495	1	1	21942	7135	1	1	1	1	1	1	1	35682	1	1	1	1	1	1	1	1	1	1
949.512@5.9673896	7648	1	1	14033	47912	1	41052	43561	1	1	1	1	1	1	1	96644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.5079@5.916523	1	1	1	6167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2807	1	1	1	1	1	1	1	1	1	1	16680
450.973@5.9459505	1	4234	1	3686	1	1	1	1	1	1	2828	1	1	1	1	2559	1	1	1	1	1	1	1	1	1	1	1	1	1	2023	1	1	1	1	1	1	1
915.4962@5.9531116	33746	1	1	48502	1	1	49506	85394	1	1	1	1	33972	58663	1	1	1	1	1	11974	1	1	1	1	52106	1	1	1	1	1	13279	1	1	1	1	1	1
835.5782@5.9267645	1	1	1	11483	1	1	1	16874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35848	63519	1	1	1	1	1	1	1	1	1	1
959.5253@5.9541683	1	1	1	3406	1	1	1	17079	1	1	1	1	1	1	1	1	17355	1	1	1	1	1	1	1	1	1	13718	1	1	1	1	1	1	1	1	1	1
486.0849@5.9553995	1	1	1	3268	1	1	4350	1	5973	5242	7362	5658	8271	1	3569	1	4704	1	1	13919	5364	1	1	7106	1	4733	1	1	1	1	1	1	1	1	4523	1	3438
887.5376@5.9552245	1	1	1	54504	1	1	1	1	1	1	78833	1	1	1	1	1	1	76176	1	1	1	1	1	1	1	70582	86052	1	1	1	1	1	1	1	1	1	1
174.1367@5.942917	1	1	1	17309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
941.5098@5.9579196	1	1	1	28382	1	1	1	1	1	1	1	1	1	1	20485	1	1	1	1	1	1	1	1	1	1	19971	1	1	1	1	1	1	1	1	7621	1	1
892.5378@5.9611206	1	1	1	24965	1	1	1	1	1	1	19415	40910	1	1	1	41502	1	1	1	48784	1	1	1	1	41552	1	39144	1	1	11220	1	1	1	1	1	1	1
943.5264@5.958444	1	1	1	7646	1	1	48658	34272	1	1	1	1	1	1	1	1	23596	26240	1	15704	1	12191	1	1	1	1	1	1	1	1	1	1	1	8284	1	1	1
841.5106@5.9579005	31807	1	1	30807	138216	1	1	1	1	1	1	1	1	1	49570	1	1	1	1	1	1	101113	1	1	77681	88518	1	1	1	58884	1	1	1	1	1	1	1
902.5283@5.9548626	1	1	1	12908	1	1	1	12570	1	1	1	1	1	26049	18510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17697	1	1	1	1	12583	1	1
851.5843@5.9480577	27084	1	1	75585	249565	1	206532	1	76022	32370	9083	42460	1	51724	149252	91038	61138	222515	212536	1	1	72347	1	1	215206	103413	125498	1	32433	76341	38220	1	1	29433	30856	161404	85775
492.1047@5.9563575	1	1	1	5182	4048	1	1	1	4148	1	6325	1	1	1	1	3498	3750	3198	1	1	1	9617	1	1	1	1	1	3047	1	1	1	1	1	3804	1	1	1
765.4336@5.949097	4467	1	1	12590	1	1	14099	19193	1	1	19627	3707	1	14830	1	1	1	17468	32223	1	1	1	1	1	1	23857	1	1	1	1	1	1	1	1	3372	1	24039
456.2655@5.9522038	1	1	1	39006	1	1	1	7903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C34 H56 Cl N8 O3 S	39541	1	1	26155	20562	1	1	40658	1	1	20656	1	7017	1	83895	24082	10809	1	78944	9928	1	19549	13837	1	246197	76141	241072	1	7201	52932	1	1	1	5269	1	41509	39084
1000.655@5.9653254	1	1	1	7285	12125	21500	14114	9805	28685	27190	22780	34798	27541	27338	8691	22930	24119	23404	20232	32475	48904	17589	27178	43539	9170	9452	7955	41136	23983	62306	39915	41115	42388	28781	38420	26474	14031
994.635@5.9651446	1	1	1	3589	9131	14710	4340	3046	22143	24241	16997	14947	19844	15464	1	13234	17901	9391	18598	36864	27828	8949	10620	47378	5801	1	1	30573	12453	6256	20185	19189	22574	15262	24324	10823	6167
Irbesartan	1	1	1	18546	1	18333	1	1	1	17039	1	1	1	9999	19421	14020	1	1	1	1	1	1	15830	1	1	1	1	10681	12273	1	1	1	1	1	10653	1	1
974.6399@5.964895	1	1	1	8430	7987	7828	6747	3330	1	8967	1	21846	22151	11423	10677	7586	6674	11338	9726	1	21951	8200	14976	26994	10132	12047	7951	11053	11655	46598	1	14231	19151	10546	8171	1	7555
Gallopamil	1	1	1	21072	1	15888	1	1	1	1	1	21471	1	1	1	1	1	1	1	11648	17162	8314	1	18162	1	20920	7367	17998	13859	1	14650	14804	1	14687	10617	1	1
C37 H59 O4 S2	14991	1	1	15235	161476	1	22294	13843	1	1	20207	1	13394	17469	36793	24722	20495	17074	1	14601	1	14187	24364	1	33124	60284	67546	1	9685	11007	1	1	1	1	1	1	1
865.09@5.968917	1	1	1	11030	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
714.3622@5.9768434	11917	1	1	5895	1	1	1	1	1	1	1	1	1	1	7000	1	1	1	1	1	1	1	1	1	8111	5222	7724	1	1	12469	1	1	1	1	1	1	1
805.5465@5.9844394	228720	1	1	66214	240443	1	51760	73360	1	1	1	1	60971	30446	269010	53210	59563	100691	151276	1	1	133610	31105	1	820707	1	653713	1	17717	94316	1	1	1	1	9561	47536	51164
591.747@5.983917	1	1	1	25814	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
678.4662@6.0369062	1	1	1	65128	167568	1	168277	1	1	1	1	1	21138	1	1	66281	48521	1	340402	1	1	1	43749	1	700259	23898	1	1	1	1	1	1	1	1	1	1	1
675.4467@6.017475	1	14296	1	61714	208912	1	205974	210248	1	16948	63515	29428	33775	1	1	1	63248	1	288314	1	29916	84180	51522	1	385528	167868	477387	13856	11553	79023	4962	1	6700	26455	13465	1	82493
C32 H65 N6 O7 S	232532	1	1	138717	1	1	449841	571889	1	30847	161193	32498	1	113520	568412	1	1	934402	622291	39722	81160	107040	107132	100687	1471209	306138	1784544	1	101013	277238	1	1	1	1	1	595235	276318
C30 H55 N3 O8 S	19823	1	1	26551	227395	1	36362	1	1	1	27179	1	24231	21011	54692	34265	22034	23128	20752	1	1	22208	50004	1	46667	74212	74720	1	9849	1	1	1	1	1	1	23038	1
466.2937@6.043887	1	14874	1	7417	1	7498	8623	1	1	1	1	6345	1	1	1	1	1	1	1	1	1	1	5345	1	1	1	1	1	1	7423	1	1	1	1	6381	1	1
5-Hydroxytryptophan	22108	1	1	13663	26186	1	38481	30669	1	1	26107	1	15816	1	24673	15728	11326	18011	17934	11344	1	15750	1	1	18067	41357	43456	1	1	1	1	1	1	1	1	1	8298
503.259@6.0479193	1	1	1	2554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
444.7826@6.0410814	1	11027	1	23453	1	1	1	1	1	1	1	1	1	13198	1	1	1	9060	1	1	3961	18035	1	1	13971	3107	9546	1	1	2361	1	1	1	1	1	1	1
105.079@6.079225	1	1	1	95729	1	74720	67046	1	1	1	66639	56386	78003	1	1	1	1	1	1	1	1	95006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
379.0203@6.1069536	1	1	1	5449	1	4422	1	1	7320	4521	1	1	1	6648	1	1	5411	1	1	5695	1	1	1	3871	1	1	1	1	1	1	1	1	7114	1	1	4672	4297
147.1063@6.0992846	1	1	1	47873	73399	1	77256	61193	76136	72366	67057	71541	63645	62232	1	55123	56292	1	64431	99984	57552	69303	53442	57394	49094	75718	81192	50943	51941	29281	44291	55135	59149	53275	53597	1	1
293.9313@6.1055164	1	1	1	5217	8570	1	1	1	1	1	7944	4001	1	9630	1	1	1	1	1	1	1	1	1	1	1	3761	1	4990	7360	1	1	1	1	1	1	5404	1
L-Formylkynurenine	17591	1	1	8111	16901	1	1	10358	1	1	25904	1	10925	1	16724	1	4809	12447	12458	14826	1	1	1	1	16125	47161	40757	1	1	1	1	1	1	1	1	1	1
N-Methylformamide	1	29659	1	11788	1	19021	23274	1	23425	1	40321	16584	15332	1	1	13130	1	1	1	78214	12224	1	1	25279	1	17913	1	1	1	1	1	1	1	10688	1	1	11106
661.4313@6.1541076	92142	1	1	41137	1	1	1	1	1	45109	15162	37251	1	26412	1	1	45788	143211	1	42446	1	14106	18635	1	125159	96120	171316	1	1	35952	1	1	1	14595	1	44178	55438
771.4447@6.178529	21383	1	1	4898	14726	1	11042	1	1	1	15612	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
927.546@6.1852126	5366	1	1	8236	1	1	1	1	1	1	15872	1	1	1	10760	1	1	1	1	10779	1	1	1	1	1	1	1	1	1	1	1	1	1	4434	1	1	1
971.4984@6.2191586	1	1	1	3510	27645	1	16687	2763	1	1	14079	1	6077	1	18261	8588	1	1	1	4283	1	28132	4246	1	1	7188	3742	1	1	1	1	1	1	1	1	1	14244
955.5059@6.178035	6902	1	1	4535	1	1	1	16129	1	1	19398	1	1	1	1	1	46677	17087	5715	1	1	1	21173	1	7784	1	1	1	1	1	1	1	1	1	1	1	22263
723.4343@6.167928	26919	1	1	6683	1	1	1	1	1	1	1	1	1	1	1	1	12307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C48 H60 Cl N2	60994	4009	1	21105	394384	19921	77507	51719	1	1	1	5276	1	17787	55069	19235	16759	49970	35543	33675	1	1	1	1	71399	1	76128	1	25051	2652	1	1	1	1	2975	28867	6143
446.1017@6.1711516	1	1	1	3895	10356	1	4500	1	6403	1	8280	6708	1	1	1	3246	1	1	1	7545	1	9737	1	1	1	5402	1	1	1	1	1	1	1	1	1	1	1
856.5658@6.165929	1	1	1	4235	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
817.6303@6.1842203	1	4214	1	4753	1	1	1	1	1	1	1	1	6129	1	1	1	1	1	1	1	1	1	1	1	1	4030	1	1	1	1	1	1	1	1	1	1	1
C18 H5 N3 O3 + 6.176809	10855	6982	1	10416	26691	1	17168	11346	12369	1	1	11765	17287	10840	16985	13196	1	1	11052	1	10582	16789	6038	1	6790	12743	1	16656	1	5719	7627	15623	10738	13049	9057	13162	9768
379.0219@6.1721363	19759	1	1	14526	1	1	1	12994	1	1	1	1	13196	1	1	2631	1	1	12767	1	1	1	6408	1	1	1	1	1	1	4634	1	8543	11390	2755	2447	1	1
664.4503@6.1975594	1	1	1	22392	40468	1	1	1	1	1	23607	1	1	1	1	1	1	1	54079	1	1	1	4127	1	1	1	96522	1	1	11568	1	1	1	1	1	1	1
681.4029@6.170504	3549	1	1	39306	1	1	1	1	1	1	1	1	1	1	1	16926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H63 N2 O11 S	409558	21769	1	184597	1	61051	466536	268201	58206	51602	37787	77649	100305	96660	495093	178146	146730	377549	410275	60716	1	1	80541	1	1010160	460201	1030634	44343	45619	128266	35401	1	1	11281	1	223502	28946
918.5282@6.167753	1	1	1	6158	1	1	1	11330	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
926.5267@6.2005963	1	1	1	2184	1	1	1	1	1	1	4335	1	8828	1	1	1	3666	1	5082	1	1	8192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.3782@6.19916	1	1	1	11221	1	1	51435	1	1	1	1	7632	1	7646	1	1	1	1	1	1	1	1	1	1	38440	1	1	1	1	1	1	1	1	1	1	1	13800
783.4292@6.1786075	1	1	1	4508	1	1	1	1	1	1	9670	1	1	5105	19984	1	1	1	1	1	1	12595	1	1	1	7141	9429	1	1	1	1	1	1	1	1	1	1
713.4194@6.193684	30243	1	1	16620	1	1	14079	1	1	1	17017	1	1	1	1	1	1	1	27346	19296	1	1	1	1	1	1	44367	1	1	5983	1	1	1	1	1	12115	8765
C7 H6 Cl N4 O5	1	6751	1	2681	1	1	1983	1	1	6955	9197	3435	1	3518	1	1	1	1	1	8146	1	1	1	1	4443	1	1	2367	1	1	3146	1	1	1	1	1	1
842.4466@6.18507	3819	1	1	10752	1	6199	1	1	1	6133	32349	5860	7519	11618	8494	12028	17945	25419	12159	11129	1	8534	10316	3401	1	16931	33211	4412	1	4256	3538	1	1	4295	1	7026	11646
C7 H16 Cl3 N2 O4 S	1	11617	1	4345	1	7914	1	1	9800	11276	11961	7993	8580	9125	1	6570	9501	1	2835	7313	4202	1	8471	1	10334	3328	2824	6474	1	1	6646	4767	6676	1	4420	1	1
489.2896@6.1829305	1	1	1	1751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
417.2362@6.185931	1	1	1	5510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
565.8805@6.162142	3115	1	1	2821	3613	1	1	4277	1	1	1	1	1	3916	1	1	3401	3909	1	1	3421	1	6219	1	1	1	1	1	4265	3545	1	3457	1	3970	2960	1	3334
663.447@6.1850476	52258	1	1	46205	1	1	95488	1	1	1	26541	1	27209	30712	119417	1	1	70603	37979	54296	16163	1	45637	1	432244	143438	251887	19690	38171	30721	1	1	1	1	1	89305	72825
906.5658@6.247597	1	1	1	3185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7431	1	1	1	1	1	1	1
S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine	1	4431	1	7170	14470	1	7096	1	5158	7324	11197	1	12237	1	4816	7483	7154	13226	4444	12035	5913	36897	1	1	7838	8007	10230	1	1	4841	4757	1	1	5221	1	1	1
275.173@6.1989326	1	1	1	19618	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H5 O S	7614	7806	1	5753	1	1	7458	5227	7319	7523	8570	6694	6543	1	1	1	1	1	1	1	4670	13274	1	1	1	1	1	1	1	1	1	1	1	6148	1	4840	1
164.0678@6.2130737	1	9005	1	18762	1	1	11697	1	1	1	1	1	1	1	1	1	1	18590	1	1	1	34482	1	1	1	1	1	1	1	7652	6097	1	1	1	1	1	1
305.1838@6.2023754	1	1	1	11021	1	1	1	1	1	7820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
798.5392@6.1971474	4632	1	1	4840	1	1	1	1	1	1	1	1	1	1	1	4505	3274	11392	1	1	1	1	1	1	1	1	1	1	1	1	7543	1	1	1	1	1	1
415.2058@6.203387	1	1	1	2122	1	1	1765	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2223	1	1	1	1	1	1	1	1	1	1	1
Norepinephrine (noradrenaline)	43020	1	1	35685	51456	11549	30327	18553	1	16774	55235	1	18512	23267	31671	24458	27350	32881	24732	50096	1	42024	21952	12066	29669	65925	46020	9080	1	12557	1	1	1	1	1	21670	20371
240.9924@6.2031736	1	1	1	7038	1	1	1	2814	1	1	1	1	1	1829	1	1	2112	1	1	1	1	1	1	1	1	1	1	1	1	2660	1	1	1	1	1	1	1
287.0673@6.211754	1	1	1	13473	18095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
900.6163@6.208934	1	1	1	10465	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
649.4316@6.1234956	1	1	1	235332	240787	39968	1	1	1	39220	210877	1	82494	1	1	218973	1	1	1	172802	73485	186038	1	132071	1	1	1	1	1	1	1	1	1	40601	1	1	1
C35 H57 N6 O2 S2	5540	1	1	11545	1	6560	44786	14596	1	1	28829	1	32089	5811	1	11606	1	1	1	22627	1	19924	1	3877	1	67396	75487	12648	1	1	1	1	1	1	1	40842	18274
286.2252@6.2587314	1	1	1	11550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11675	2244	1	1	1	1	1	1	1	1	1	1	1	1	1
915.5634@6.242815	1	1	1	7775	1	1	1	1	4441	1	1	1	1	7135	6503	1	1	1	4168	1	1	1	8532	1	1	1	1	1	1	1	1	1	1	1	1	1	1
354.2@6.252643	1	1	1	8265	11365	1	6049	1	1	1	1	2201	1	6217	1	4850	1	5028	7346	1	1	14378	1	2929	4903	1	5634	1	1	2602	1	1	1	1	1	1	1
C39 H77 S5	106684	1	1	97818	1	20302	1	199302	1	7733	49871	1	23273	1	275519	86741	1	297390	188070	28738	1	1	1	10210	427851	206958	531881	1	24954	41570	16435	1	1	10221	1	162008	124348
C41 H65 O4 S2	22751	1	1	16270	142872	19566	73871	42085	11385	1	76325	25425	63139	19943	1	30298	109394	201061	40428	1	1	23340	93476	1	100997	1	1	1	8932	7423	1	1	1	8800	4935	48231	136208
611.7524@6.2719436	1	1	1	9781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
621.0975@6.269034	1	1	1	25094	1	1	1	1	1	1	1	1	1	1	2102	1	1	1	1	1	1	1	1	1	1	2523	1	1	1	1	1	1	1	1	1	1	1
607.4179@6.274944	1	1	1	2813	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
619.3468@6.2876997	25973	1	1	4788	1	1	35533	38895	1	1	8798	1	1	1	14136	1	1	1	1	1	1	1	1	1	29680	1	1	1	1	1	1	1	1	1	1	1	1
717.4548@6.2585826	1	1	1	24861	27251	1	1	1	1	1	1	1	1	1	1	21537	5938	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
859.5211@6.275993	1	1	1	39766	1	1	261387	1	1	1	1	1	1	1	1	1	1	1	1	26417	1	102493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Velloquercetin	8454	12103	1	7522	11233	13932	6679	1	12527	14423	16651	10527	13727	1	1	6841	1	4669	3277	31568	7789	17229	1	14920	5271	9207	1	9720	1	2898	6081	1	8449	6666	10019	4918	4781
761.451@6.298948	1	1	1	5812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
655.3815@6.3289394	1	1	1	20491	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30755	1	1	1	1	1	1	1	1	1	1	15482
781.4403@6.3100367	1	1	1	1931	1	1	1	1	1	1	6386	1	2722	1	5070	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
713.4235@6.318083	1	1	1	11834	1	1	1	1	1	1	1	1	1	1	1	1	1	39594	1	1	1	23683	1	2424	1	1	1	1	1	1	1	1	1	1	1	1	1
865.5471@6.3159146	1	1	1	9243	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49485	1	23281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
851.5307@6.3174477	52743	1	1	52534	1	1	131290	1	1	1	126141	1	97719	1	1	44822	41867	1	1	123108	1	181304	32766	1	1	49220	1	1	1	1	1	1	1	1	1	104595	1
669.3984@6.276189	4674	1	1	26144	1	8415	11267	1	1	1	1	1	1	1	68613	1	6556	1	11604	1	1	177499	1	1	1	1	62416	1	1842	1	1	1	1	1	1	1	1
C32 H65 N6 O8 S	722006	36134	1	154816	392470	52560	305689	398606	44183	35708	233874	44778	110252	1	383050	53264	1	193644	310514	135513	15035	1	42364	46314	1214956	227628	931244	40435	45707	124908	20085	1	14542	27103	34967	169785	1
565.3732@6.3105474	10692	1	1	6508	11730	1	1	17950	1	1	7610	1	1	1	16339	4481	1	1	1	1	1	3660	1	1	34130	11779	16951	1	1	1	1	1	1	1	1	10392	1
856.5657@6.319609	1	1	1	17253	1	1	1	1	1	14441	24737	1	47109	1	1	1	1	1	1	23783	1	27475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
654.7727@6.3129506	1	1	1	1990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C39 H71 O6 S3	19018	1	1	28041	1	1	109572	51911	1	16036	78850	22182	69156	37661	80736	37112	50542	98444	1	54798	1	101010	1	1	86203	114356	100093	1	1	1	14561	1	1	21757	1	73105	1
622.4019@6.3304434	1	1	1	7791	1	1	1	1	1	1	1	1	1	1	1	1	6729	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
488.8085@6.3617206	1	29470	1	33657	22243	1	25439	20402	22996	20933	18574	1	23188	22679	1	17893	17610	21096	1	20532	18134	28588	1	1	22036	1	19961	17874	17714	8278	20241	1	1	17141	17700	17814	1
944.644@6.35996	1	1	1	7331	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
930.6269@6.35996	1	1	1	4192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C36 H53 N7 O5	1	11317	1	34532	1	33954	555624	204633	1	13751	177974	65786	98013	107513	244088	224178	36147	1	102313	135256	1	487161	121761	1	278688	91732	226190	10224	29086	52856	51800	1	1	96158	30403	99198	357311
633.3643@6.369719	1	1	1	27263	1	1	91310	1	1	1	25620	1	1	1	101280	1	1	100431	30961	1	1	35359	29173	1	89338	1	1	1	1	47587	1	1	1	1	1	65910	78587
699.4119@6.3388424	95078	1	1	11471	54739	20881	1	190696	1	1	279958	1	1	1	108457	1	1	75486	1	1	1	1	1	1	1	1	159489	1	1	1	1	1	1	1	1	1	61715
626.0942@6.3709626	1	1	1	7897	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
791.532@6.392959	1	1	1	1854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31782	1	1	1	1	1	1	1	1	1	1
757.4362@6.3731027	1	1	1	3285	1	1	1	11651	1	1	1	1	1	1	1	1	5357	1	1	1	1	11831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.4238@6.399556	37344	1	1	15600	1	1	37570	70261	1	1	1	1	1	1	59608	1	6321	39602	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
551.3542@6.4024034	5910	1	1	6337	1	1	19598	1	1	1	1	1	1	1	20950	1	1	1	1	1	1	1	1	1	33972	15251	1	1	1	1	1	1	1	1	1	1	1
807.5629@6.402088	1	1	1	287224	1	1	1	1	1	1	1	1	1	262974	1	1	1	1	1	1	1	1	1	1	1	1539572	1	1	1	1	1	1	25054	134622	50909	1	1
406.1807@6.4213295	1	1	1	3584	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3443	1	1	1	2393	1	1	1	1	1	1	1	1	1	1
C14 H12 N2 O3 + 6.42956	36819	1	1	19296	68175	1	54699	38353	1	1	17398	1	12821	6322	64781	15839	10022	30117	30478	1	1	1	1	1	59861	126518	155599	1	1	1	1	1	1	1	1	1	10391
693.4317@6.4371543	1	1	1	5574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.4429@6.43191	1	1	1	37857	140096	1	1	1	1	1	1	1	1	1	1	1	1	176347	1	1	1	1	1	1	372508	113756	278104	1	1	1	1	1	1	1	1	63559	1
647.4148@6.4320765	1	1	1	15558	1	1	55814	54141	1	1	1	1	1	17914	1	1	22631	1	1	1	1	27252	17300	1	1	1	1	1	10258	1	1	1	1	1	1	43790	1
650.1143@6.44398	1	1	1	11999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H57 N16 O4 S	34735	1	1	12737	1	1	25641	35134	1	1	6422	1	1	1	54380	1	1	43840	51443	1	1	1	1	1	125412	15805	109264	1	1	18468	1	1	1	1	1	16926	16046
C31 H61 N2 O7 S2	54367	1	1	40330	1	1	1	41181	1	1	1	1	1	27197	1	1	1	1	1	1	1	1	1	1	1	1	114929	1	1	29409	13262	1	1	10329	6104	72137	1
C15 H42 N16 S2	49238	68921	1	69824	53414	44483	64795	49561	54905	47919	47818	46196	52180	47242	40312	41489	45617	46337	42182	49435	41375	63039	51543	40091	51734	49366	48646	43877	43676	1	46690	48786	40101	39005	42385	45804	43570
665.3928@6.4788017	76641	1	1	26514	123967	1	56455	86802	1	1	19425	1	1	1	107775	29957	1	59375	49643	8383	1	20491	1	1	75601	75489	87926	1	1	1	1	1	1	1	1	58645	1
647.3811@6.5007052	20771	1	1	13582	38672	1	1	1	1	1	11040	1	1	10724	45748	1	15975	36128	1	1	1	1	1	1	1	30696	47972	1	4531	11414	1	1	1	1	1	29950	27320
174.1367@6.500996	1	1	1	131278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
757.4524@6.5290046	1	1	1	3686	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
665.1244@6.534006	1	1	1	5999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
665.4329@6.515478	63743	1	1	18533	102354	1	81066	1	1	1	1	1	1	1	1	1	1	57743	1	1	1	1	1	1	1	1	1	1	1	8296	1	1	1	1	1	1	1
733.4527@6.5460753	15543	1	1	24914	175639	7214	1	1	1	1	1	9169	25888	18301	1	1	1	1	1	13637	1	29822	37143	3246	1	1	1	1	12431	13612	1	2421	1	12998	1	1	1
722.4248@6.573019	1	1	1	2103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
749.4835@6.5985503	43726	1	1	18970	1	1	1	59017	1	1	1	1	1	1	63261	1	1	71759	96602	1	1	1	1	1	234890	54426	173521	1	1	24895	1	1	1	1	1	1	1
570.3489@6.6344304	1	1	1	8521	1	1	1	1	1	1	1	1	1	1	1	23510	1	54827	1	1	1	1	1	1	1	1	1	1	1	6968	1	1	1	1	1	1	1
659.3858@6.6298547	1	1	1	18952	1	1	1	1	1	1	1	1	12214	1	1	1	1	1	11322	1	1	1	1	1	1	1	1	1	1	20523	1	1	1	1	1	1	1
569.3449@6.6629753	9954	1	1	15572	1	1	1	1	1	1	1	1	1	1	17077	1	1	1	1	1	1	1	1	1	86560	1	1	1	1	1	1	1	1	1	656162	1	1
589.3142@6.634692	1	1	1	11764	1	1	1	9881	1	267694	244630	1	1	109069	1	1	1	1	1	283327	1	1	1	1	1	14216	1	1	1	1	1	1	1	1	1015366	1	1
635.3803@6.623413	166882	1	1	81156	585822	1	1	211534	1	12139	1	1	55554	72150	223154	1	1	1	169565	1	9911	1	1	11840	154014	232382	277378	1	1	1	29426	1	1	1	1	1	1
C40 H67 O8 S2	68343	1	1	38023	90608	1	262001	136348	1	10151	59807	15171	55703	42773	69694	70939	1	174552	61852	41225	1	69731	37541	1	43319	56802	71410	1	19140	36716	16573	1	1	32749	10018	145250	103574
679.7988@6.6390424	1	1	1	6857	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
870.5428@6.641043	1	1	1	6457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
602.3393@6.659264	1	1	1	6401	10759	1	1	14295	1	1	1	1	1	2809	1	1	1	38060	1	11957	1	1	1	1	1	19915	1	1	1	1	1	1	1	1	1	1	1
781.4444@6.662023	1	1	1	3443	1	1	1	1	1	1	1	1	1	20345	1	1	1	55448	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
809.5898@6.6560006	35768	53528	1	11890	141003	1	1	1	1	1	1	40046	36999	1	1	32852	1	1	46821	1	1	1	1	1	25987	40057	36737	19290	1	1	1	1	1	32658	1	1	1
599.3899@6.6473126	1	1	1	22875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56328	1	1	87738	1	1	1	1	1
624.3831@6.6192355	1	1	1	7461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2634	1	1	1	1	1	1	1	1	1	1	1	1	1	1553	1	1	1
725.5524@6.6654496	1	1	1	18271	1	71918	1	1	1	52802	96440	80659	1	48772	38891	1	49893	76594	1	83084	36374	39537	1	32518	1	1	43775	48162	25641	1	46236	32265	1	27478	1	58710	1
C44 H58 Cl O S	1	1	1	25807	1	1	117273	142839	1	1	44963	1	9705	19127	71769	46406	33817	1	33026	12814	1	54213	25381	1	80274	50477	72808	1	1	9493	1	1	1	1	1	1	47618
623.38@6.624153	81746	1	1	26668	395608	13838	1	63309	1	1	1	1	67602	23059	139310	39873	1	1	1	1	1	1	38139	1	80042	73353	156805	1	1	1	1	1	1	1	1	1	33372
653.3283@6.659033	28805	1	1	7456	24382	1	19909	19154	1	2704	10656	1	1	1	21538	1	1	14796	1	1	1	12447	5952	1	21929	34042	32704	1	1	1	1	1	1	2899	1	12578	11489
721.4513@6.6575513	135068	1	1	53421	1	1	1	150355	1	1	1	1	1	1	1	1	1	228858	231150	1	1	1	1	1	871272	167936	625719	1	21356	1	1	1	1	1	1	1	1
667.4154@6.66145	1	1	1	9254	32784	1	21349	17865	1	1	5300	1	1	1	1	8668	1	17756	14189	1	1	1	1	1	25504	19798	32237	1	1	1	1	1	1	1	1	11315	1
295.0019@6.6550484	1	1	1	4394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
629.3656@6.6923523	2470	1	1	5465	192039	1	1	1	1	1	1	1	1	15128	37765	27230	25565	1	1	1	1	1	1	1	23103	1	1	1	1	1	1	1	1	10151	1	1	27839
336.2048@6.662973	1	1	1	22791	112170	1	1	6902	1	1	111521	1	1	1	59013	38998	83114	76724	1	1	1	100662	1	1	1	1	1	1	1	1	1	1	1	1	1	49365	86991
356.1621@6.683059	1	1	1	2108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H52 Cl N8 O3	63871	1	1	18491	176480	1	27313	1	1	1	1	1	6875	1	71582	24215	16804	134016	39824	1	1	1	15747	1	136828	1	133210	1	1	30713	1	1	1	1	1	25025	25258
721.4516@6.693625	1	1	1	53057	410294	1	1	1	4988	1	1	23976	57909	54790	1	94636	1	1	1	54751	1	122521	91441	9636	1	1	1	1	1	1	1	1	1	1	1	1	1
725.4126@6.6986723	18816	1	1	15798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11697	1	1	1	1	1	1	23194	1	1	1	1	1	1	1	1	1	1	33542
C31 H47 N9 O2	119172	560020	1	43464	1	445501	268708	93000	613799	361065	405005	344532	419056	431537	111443	276329	261503	317214	240455	413624	267942	325625	240349	354573	98556	127984	199638	310361	276569	38109	334421	263677	292525	303407	275978	287242	128204
C34 H39 N10	5580	1	1	2338	1	9548	1	5048	1	1	12948	11212	1	1	5080	1	1	1	1	14463	10176	18603	1	12792	1	10426	10236	9772	8598	1	1	1	1	8125	1	1	5757
753.4213@6.6918154	1	1	1	11364	1	1	1	38891	1	1	20497	1	1	1	29980	1	5164	1	19816	1	1	1	1	1	25868	1	1	1	1	1	1	1	1	1	1	1	1
729.4167@6.6866484	45212	1	1	6248	1	1	1	1	1	1	27494	1	15656	1	1	1	1	45382	1	1	1	25486	1	1	1	1	1	1	1	1	1	1	1	1	1	21573	1
529.8161@6.714218	9937	1	1	4391	1	9070	1	6061	8598	19729	18760	8451	16477	13220	1	9559	11453	11780	1	1	5146	11633	8737	1	4619	1	1	1	1	1	5503	1	4292	7517	1	1	1
C41 H61 O2 S3	22668	1	1	9034	1	1	35887	57252	1	1	1	1	1	1	30236	1	1	23518	19178	1	1	1	1	1	1	1	18201	1	1	4880	1	1	1	1	1	20407	19152
744.4354@6.7200747	1	1	1	16788	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
719.4374@6.7519655	1	1	1	14950	82201	1	64489	1	1	1	6566	1	12427	11007	28725	19296	1	28841	1	13336	1	1	13656	1	1	17227	1	1	33511	27088	1	1	1	1	1	25411	1
781.4385@6.7155	30623	1	1	19750	1	1	1	1	1	1	1	1	1	1	1	1	23274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
739.4152@6.745642	1	1	1	43034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10679	1	1	1	1	1	1	1	1	1	1	10472	1	1	1	1	1	1	1
624.3829@6.725272	1	1	1	83520	1	1	1	120695	1	1	1	1	1	1	201114	1	1	1	1	1	1	1	1	1	203722	1	1	1	1	77328	1	1	1	1	1	1	1
624.3131@6.7200327	3936	1	1	3201	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PS(22:4(7Z,10Z,13Z,16Z)/0:0)	1	53073	1	9436	1	9051	1	1	7129	10324	1	1	14558	76033	13333	18486	17176	17869	1	1	40849	1	56991	9664	11495	1	1	38306	14473	1	14182	10096	8737	1	8463	6369	1
665.4052@6.693074	1	1	1	7566	1	1	1	1	1	1	9365	1	1	1	37114	14565	1	1	1	1	1	15548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
725.5523@6.726077	1	1	1	42113	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
667.3699@6.7273407	1	1	1	11413	1	1	32373	38178	1	1	1	1	1	1	23434	1	1	27428	15418	1	1	1	1	1	33690	1	19182	1	1	1	1	1	1	1	1	24460	21820
722.5318@6.7104425	1	1	1	89729	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5361	1	1	1	1	1	1	1
C34 H45 O7	351510	1	1	503359	1	1	280240	65658	1	1	1	1	1	1	57850	516981	1	181259	372080	1	1	541960	1	1	1	330135	257677	1	1	391778	1	1	1	1	1	410676	265717
553.387@6.749968	1	1	1	142082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	229622	1	1	1	1	215405	276303	1	5211	1	71098	1	1	1	1	1	1	1
791.4972@6.758506	33063	1	1	6867	1	1	1	1	13572	33828	1	1	14121	1	1	1	1	43563	1	1	1	1	1	1	1	13467	1	1	1	1	1	1	1	1	40132	1	1
C31 H53 Cl2 S	37398	1	1	53213	1	1	12234	40725	1	1	6414	1	1	1	23826	1	1	18874	22739	1	1	66874	47154	1	27099	49906	21181	1	1	6078	1	1	1	1	1	9473	10956
812.9813@6.723764	1	82415	1	6401	39933	82478	15113	1	82170	79654	58236	61812	52196	47305	1	33324	42900	1	1	3951	69648	44743	36634	4094	1	16064	12076	63009	56947	1	61502	61344	1	1	64317	26978	11342
705.4256@6.6799254	1	1	1	32639	1	1	1	146620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4906	1	1	1	1	1	1	1	1	1
779.498@6.7233996	1	1	1	9755	1	1	1	18570	1	15045	1	1	1	18613	1	1	1	27331	1	13998	1	27295	16445	1	10946	1	1	10361	1	1	1	71252	10006	14078	1	1	21598
717.4194@6.735081	1	1	1	10947	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
692.3398@6.73204	4681	1	1	8485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H53 N6 O3	8936	1	1	5944	1	1	1	5418	12889	13970	12640	1	1	7335	1	6759	1	4437	9045	20194	1	1	1	17117	1	6144	1	17891	1	1	1	10013	1	9450	12986	10656	1
957.5184@6.6926823	1	1	1	3705	1	1	1	1	1	1	10972	1	3007	1	1	1	1	1	4463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Mycobactin S	5363	39109	1	9403	1	45917	10259	1	19302	46917	48879	40574	34933	20159	8131	24287	22660	1	11487	54206	48378	32665	20924	55817	20151	18671	1	41004	46303	3657	41144	42591	43260	30992	44885	15677	12485
686.3855@6.729218	1	1	1	12360	1	1	1	16539	1	1	8658	1	1	1	1	1	1	1	12771	40032	1	20028	1	1	1	1	1	1	1	1	1	1	1	13800	1	1	1
C35 H40 Cl N9	1	15958	1	11038	46444	9078	10763	1	16476	14350	1	1	11145	1	1	10027	16686	1	1	26359	15914	23896	11007	15489	1	1	1	9405	24435	1	11983	7756	7303	28396	1	15953	1
877.5378@6.745449	1	1	1	7377	1	1	1	1	1	11238	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14154	1	1	1	1	1	1	1	1	1	1	1
894.5326@6.6972885	1	1	1	5666	1	1	1	1	1	1	1	1	1	1	1	1	3454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
856.513@6.7368712	8824	1	1	5381	1	1	1	1	1	13107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
735.4292@6.7450395	31042	1	1	22256	57775	1	1	1	1	1	25485	1	12919	1	95343	42456	1	1	1	18197	1	1	1	1	1	1	1	1	1	29229	1	1	1	1	1	23696	1
236.1247@6.7430844	1	1	1	14738	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H39 N21	66355	1	1	39693	57959	1	59383	24500	1	1	138630	1	11531	19742	49551	34411	29563	27967	9071	74590	1	30451	13465	1	73732	53644	69432	1	63150	166115	38847	1	1	15519	1	24651	18547
859.5019@6.718344	1	1	1	10392	1	1	1	1	1	1	14987	1	1	1	1	1	1	10435	1	10592	1	17289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
841.5214@6.7419643	11181	13218	1	4559	16846	1	1	17880	1	1	1	8725	1	15545	17789	19211	16493	11800	1	1	1	10214	16736	1	1	1	1	1	1	1	1	8734	1	1	1	16286	16269
Tetranactin	17138	12556	1	9970	1	15491	1	14170	1	19169	1	1	11852	19637	1	1	1	1	1	18122	1	25047	1	1	1	24886	1	15529	10298	5094	1	1	1	18293	1	14373	1
1016.6783@6.7474494	21378	1	1	43172	1	67402	1	80450	1	29248	59525	75416	1	49690	36275	41754	38885	59104	47124	49134	1	1	1	51657	63973	1	1	46166	43504	1	52550	65516	46012	162192	31113	1	36565
896.6271@6.7476807	6662	1	1	5703	1	1	1	1	1	1	1	1	1	1	1	1	1	3530	1	1	1	1	1	1	7586	1	1	1	1	4023	1	1	1	1	1	1	4589
835.4989@6.7490873	1	1	1	8174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
740.3584@6.7500873	1	1	1	4702	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1247.9094@6.733223	8948	1	1	9461	1	1	1	1	7570	1	1	1	2165	1	1	1	5798	1	1	1	1	1	8488	1	1	1	1	1	1	1	1	1	1	1	1	1	1
836.0029@6.753269	1	1	1	7399	1	1	1	11491	1	1	1	1	1	1	1	1	14573	1	1	1	1	1	1	1	11697	1	1	1	1	4830	1	1	1	1	1	1	1
870.5373@6.7561126	1	1	1	11567	1	1	1	1	1	18359	12299	1	1	1	1	6284	1	1	1	16008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
686.274@6.742052	12233	1	1	10891	2949	1	1	11367	1	9368	1	1	1	1	8123	1	6149	1	1	1	5257	1	1	4064	9422	1	1	1	1	1	1	1	1	1	1	1	5551
C39 H49 S4	20286	1	1	17019	10352	1	7937	14740	1	1	5064	1	1	8289	1	8700	6712	3871	2797	1	1	1	7424	3832	8689	2564	2862	5329	1	11569	1	1	3771	3890	1	4380	1
1054.6934@6.7480025	23307	1	1	26694	1	56332	1	98385	256442	69648	288283	84487	1	98750	99784	1	1	107408	93206	1	33372	1	1	1	60988	88154	115275	66881	37431	12230	77074	75418	70977	1	62513	86782	76537
816.0038@6.743983	1	14268	1	6745	1	1	6282	1	64602	38756	27313	14924	26429	21133	1	1	17847	1	1	59011	41005	24473	18896	51685	4403	9715	8228	41316	33834	3791	33214	32194	32057	27699	45129	1	8242
754.2621@6.7520885	1	1	1	3899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
667.416@6.7520885	1	1	1	5424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
849.0145@6.760093	1	1	1	2326	1	1	1	2691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2580	1	1	1	1	1	1	1	1	1
1068.2021@6.756485	68566	155728	1	27390	1	125628	80291	72425	77135	97924	78042	193637	168841	139978	51343	62617	142983	177925	57084	119087	1	180521	110815	63141	35424	1	144826	111671	1	15421	1	1	113039	1	111493	166914	114993
1152.6885@6.744862	12900	1	1	9431	20541	1	1	1	1	1	1	1	1	1	11447	35200	11543	1	3042	10811	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
601.3393@6.7743893	1	1	1	44047	1	28075	1	1	1	1	1	1	1	1	9132	1	1	1	52305	1	22698	1	1	1	1	1	1	1	1	48582	1	1	1	1	1	1	1
1193.7155@6.7614183	6221	1	1	8511	1	1	1	1	1	17420	16781	1	1	1	1	1	1	1	1	22748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1238.7645@6.7604575	8500	1	1	9175	1	1	1	1	1	1	1	1	1	1	1	6848	1	1	1	1	1	1	7687	1	19156	1	11631	1	1	2244	1	1	1	1	1	1	1
600.3258@6.823149	1	1	1	16023	7956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6349	1	1	1	1	1	1	1	1	29409	1	1	1	1	1	1	1	1
1082.6433@6.7625556	1	1	1	7220	1	33954	1	1	34460	1	105395	118611	1	18652	1	1	1	1	10958	40081	1	1	23355	38858	1	1	21728	1	1	1	30736	1	174388	26080	1	1	1
589.3352@6.7677593	1	1	1	14753	1	1	1	1	1	1	1	1	1	1	1	14702	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
149.0063@6.8420577	1	1	1	12139	1	1	1	1	1	1	3424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4154	1	1	1	1
731.3838@6.7660947	1	1	1	5849	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1236.7494@6.7668104	1	1	1	4513	1	1	1	1	1	1	1	1	1	1	28666	1	1	1	1	1	1	1	1	1	7216	29013	1	1	1	1	1	1	1	1	1	1	1
747.4344@6.7400064	5555	1	1	14680	1	9654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25795	1	1	1	1	1	1	15470
751.4605@6.764782	1	1	1	11279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13082	1	1	1	1	1	1	1	1	1	1	1	1
670.3542@6.774078	22622	1	1	35723	1	7657	6457	8090	25544	26316	11363	1	1	25171	1	1	1	1	1	34253	15157	1	1	1	1	1	1	1	1	10177	1	1	1	1	1	1	11700
609.3957@6.7711587	124767	1	1	46639	1	1	1	1	1	1	1	1	1	1	130067	1	1	1	1	1	1	1	1	1	155803	137714	127658	1	10436	1	1	1	1	1	1	1	1
681.422@6.77215	1	1	1	54535	73780	1	1	1	1	1	20686	1	1	1	1	1	1	33606	1	1	1	25381	1	1	93086	111423	1	1	1	37640	1	1	1	1	1	1	27665
C20 H52 Cl3 N13 S	33018	9572	1	22094	1	11668	21679	19196	1	15833	6613	13944	8970	15145	16651	1	15679	10528	21020	1	22586	9199	21066	23135	20329	20155	9145	18521	22218	18039	17427	13988	54312	19266	17034	11987	82960
1096.67@6.7628865	1	1	1	6234	13579	1	1	99645	1	34772	14645	16824	1	1	1	1	36636	1	1	1	1	1	1	1	28160	1	1	25630	29107	9063	1	1	1	15992	48463	1	1
726.5575@6.686727	1	1	1	3044	1	1	9346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11227	1	1	1	1	1	1	1	1	1	1	1	3651	1	1
804.5056@6.7669525	26034	1	1	12138	1	1	1	1	19030	1	1	1	1	1	19961	24251	1	21256	25761	1	1	26374	1	44249	1	29497	1	1	1	1	1	1	1	1	1	1	27797
1065.1815@6.749444	2809	1	1	3351	1	21888	1	1	1	64714	33895	31372	73835	41658	9653	20219	1	1	1	82927	1	1	15864	129362	5357	1	10222	16784	14711	1	62960	1	1	1	1	21283	15754
769.4184@6.7184334	1	1	1	9831	1	1	1	1	1	1	1	1	1	1	1	1	4014	1	1	1	1	1	1	1	18740	1	1	1	1	1	1	1	1	1	1	1	1
675.4119@6.769869	1	1	1	17162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15520	1	1	1	1	1	1	1	1	1	1	1
840.5142@6.760706	1	1	1	11321	1	1	1	9746	1	1	1	1	1	1	11005	9252	1	9115	1	1	16117	1	10471	1	1	1	1	1	1	2366	6879	1	1	1	1	8868	12076
804.0036@6.7734084	29291	1	1	16533	1	1	1	1	22833	1	1	1	32524	1	22170	1	36730	1	1	1	1	1	1	61536	16251	34956	1	1	42083	9155	1	39196	1	1	1	1	1
867.5034@6.774864	1	1	1	3162	1	1	1	1	1	1	21568	1	1	1	1	1	1	1	1	1	1	27156	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
733.4246@6.798008	9400	1	1	3171	1	1	17039	12445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11858	1	1	1	1	1	1	1	1	1	7729
C38 H43 Cl2 N O	9403	5254	1	8136	1	1	17574	4903	1	8851	1	1	1	12446	3250	10518	10945	11489	12093	1	5226	10768	5007	6809	6897	4021	1	3977	5471	6039	6435	1	1	1	1	5394	1
727.4068@6.7711153	2702	1	1	2361	1	1	1	1	1	1	1	1	1	1	6852	5366	1	1	30953	1	1	1	1	1	1	1	48709	1	1	1	1	1	1	1	1	4362	1
1136.6638@6.788754	17764	1	1	8391	1	1	1	1	1	1	1	1	1	1	28686	1	1	1	1	1	1	1	1	1	23399	16328	26159	1	1	1911	1	1	1	1	1	1	1
668.339@6.7869086	10013	1	1	17698	1	1	1	1	1	25284	1	1	1	1	11322	1	1	1	1	27159	9330	1	1	11631	1	1	1	10670	1	27976	6139	1	1	1	6546	1	7742
589.2793@6.786649	15847	1	1	2984	1	1	6112	11558	1	1	1