#METABOLOMICS WORKBENCH Armando_Alcazar_20240220_140724 DATATRACK_ID:4664 STUDY_ID:ST003101 ANALYSIS_ID:AN005074 PROJECT_ID:PR001924
VERSION             	1
CREATED_ON             	February 23, 2024, 7:46 am
#PROJECT
PR:PROJECT_TITLE                 	Parallel pheromonal, metabolite, and lipid analyses reveal patterns associated
PR:PROJECT_TITLE                 	with early life transitions and ovary activation in honey bee (Apis mellifera)
PR:PROJECT_TITLE                 	queens
PR:PROJECT_SUMMARY               	We used a novel pheromone detection method to quantify retinue pheromone (QRP)
PR:PROJECT_SUMMARY               	concurrently with shotgun metabolomics and lipidomics analysis to determine what
PR:PROJECT_SUMMARY               	changes in pheromones and small molecules may underpin differences in age,
PR:PROJECT_SUMMARY               	laying status, and acceptance by workers in honey bee queens.
PR:INSTITUTE                     	Life Sciences Institute, The University of British Columbia
PR:LAST_NAME                     	Alcazar Magana
PR:FIRST_NAME                    	Armando
PR:ADDRESS                       	2350 Health Sciences Mall, Vancouver, BC, V6T1Z3, Canada
PR:EMAIL                         	armando.alcazarmagana@ubc.ca
PR:PHONE                         	5416097172
#STUDY
ST:STUDY_TITLE                   	Parallel pheromonal, metabolite, and lipid analyses reveal patterns associated
ST:STUDY_TITLE                   	with early life transitions and ovary activation in honey bee (Apis mellifera)
ST:STUDY_TITLE                   	queens
ST:STUDY_SUMMARY                 	We used a novel pheromone detection method to quantify retinue pheromone (QRP)
ST:STUDY_SUMMARY                 	concurrently with shotgun metabolomics and lipidomics analysis to determine what
ST:STUDY_SUMMARY                 	changes in pheromones and small molecules may underpin differences in age,
ST:STUDY_SUMMARY                 	laying status, and acceptance by workers in honey bee queens.
ST:INSTITUTE                     	Life Sciences Institute, The University of British Columbia
ST:LAST_NAME                     	Alcazar Magana
ST:FIRST_NAME                    	Armando
ST:ADDRESS                       	2350 Health Sciences Mall, Vancouver, BC, V6T1Z3, Canada
ST:EMAIL                         	armando.alcazarmagana@ubc.ca
ST:PHONE                         	5416097172
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	40
ST:NUM_FEMALES                   	40
#SUBJECT
SU:SUBJECT_TYPE                  	Insect
SU:SUBJECT_SPECIES               	Apis mellifera
SU:GENDER                        	Female
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	V1	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V1_11-1-2023_R-A2_14936; RAW_FILE_NAME=V1_11-2-2023_R-A2_15001; RAW_FILE_NAME=V1_11-3-2023_R-A2_15065; RAW_FILE_NAME=V1_11-4-2023_R-A2_15124
SUBJECT_SAMPLE_FACTORS           	-	V2	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V2_10-31-2023_R-A3_14896; RAW_FILE_NAME=V2_11-1-2023_R-A3_14961; RAW_FILE_NAME=V2_11-2-2023_R-A3_15025; RAW_FILE_NAME=V2_11-3-2023_R-A3_15084
SUBJECT_SAMPLE_FACTORS           	-	V3	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V3_11-1-2023_R-A4_14913; RAW_FILE_NAME=V3_11-1-2023_R-A4_14978; RAW_FILE_NAME=V3_11-3-2023_R-A4_15042; RAW_FILE_NAME=V3_11-3-2023_R-A4_15101
SUBJECT_SAMPLE_FACTORS           	-	V4	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V4_10-31-2023_R-A5_14905; RAW_FILE_NAME=V4_11-1-2023_R-A5_14970; RAW_FILE_NAME=V4_11-2-2023_R-A5_15034; RAW_FILE_NAME=V4_11-3-2023_R-A5_15093
SUBJECT_SAMPLE_FACTORS           	-	V5	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V5_10-31-2023_R-A6_14902; RAW_FILE_NAME=V5_11-1-2023_R-A6_14967; RAW_FILE_NAME=V5_11-2-2023_R-A6_15031; RAW_FILE_NAME=V5_11-3-2023_R-A6_15090
SUBJECT_SAMPLE_FACTORS           	-	V6	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V6_11-1-2023_R-A7_14933; RAW_FILE_NAME=V6_11-2-2023_R-A7_14998; RAW_FILE_NAME=V6_11-3-2023_R-A7_15062; RAW_FILE_NAME=V6_11-4-2023_R-A7_15121
SUBJECT_SAMPLE_FACTORS           	-	V7	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V7_11-1-2023_R-A8_14939; RAW_FILE_NAME=V7_11-2-2023_R-A8_15004; RAW_FILE_NAME=V7_11-3-2023_R-A8_15068; RAW_FILE_NAME=V7_11-4-2023_R-A8_15127
SUBJECT_SAMPLE_FACTORS           	-	V8	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V8_11-1-2023_R-A9_14926; RAW_FILE_NAME=V8_11-2-2023_R-A9_14991; RAW_FILE_NAME=V8_11-3-2023_R-A9_15055; RAW_FILE_NAME=V8_11-3-2023_R-A9_15114
SUBJECT_SAMPLE_FACTORS           	-	V9	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V9_11-1-2023_R-B1_14923; RAW_FILE_NAME=V9_11-2-2023_R-B1_14988; RAW_FILE_NAME=V9_11-3-2023_R-B1_15052; RAW_FILE_NAME=V9_11-3-2023_R-B1_15111
SUBJECT_SAMPLE_FACTORS           	-	V10	Sample source:Bee head | Treatment:Virgin	RAW_FILE_NAME=V10_11-1-2023_R-B2_14932; RAW_FILE_NAME=V10_11-2-2023_R-B2_14997; RAW_FILE_NAME=V10_11-3-2023_R-B2_15061; RAW_FILE_NAME=V10_11-4-2023_R-B2_15120
SUBJECT_SAMPLE_FACTORS           	-	Q11	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q11_11-1-2023_R-B4_14920; RAW_FILE_NAME=Q11_11-2-2023_R-B4_14985; RAW_FILE_NAME=Q11_11-3-2023_R-B4_15049; RAW_FILE_NAME=Q11_11-3-2023_R-B4_15108
SUBJECT_SAMPLE_FACTORS           	-	Q12	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q12_11-1-2023_R-B5_14910; RAW_FILE_NAME=Q12_11-1-2023_R-B5_14975; RAW_FILE_NAME=Q12_11-2-2023_R-B5_15039; RAW_FILE_NAME=Q12_11-3-2023_R-B5_15098
SUBJECT_SAMPLE_FACTORS           	-	Q13	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q13_11-1-2023_R-B6_14938; RAW_FILE_NAME=Q13_11-2-2023_R-B6_15003; RAW_FILE_NAME=Q13_11-3-2023_R-B6_15067; RAW_FILE_NAME=Q13_11-4-2023_R-B6_15126
SUBJECT_SAMPLE_FACTORS           	-	Q14	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q14_11-1-2023_R-B7_14934; RAW_FILE_NAME=Q14_11-2-2023_R-B7_14999; RAW_FILE_NAME=Q14_11-3-2023_R-B7_15063; RAW_FILE_NAME=Q14_11-4-2023_R-B7_15122
SUBJECT_SAMPLE_FACTORS           	-	Q15	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q15_11-1-2023_R-B8_14911; RAW_FILE_NAME=Q15_11-1-2023_R-B8_14976; RAW_FILE_NAME=Q15_11-2-2023_R-B8_15040; RAW_FILE_NAME=Q15_11-3-2023_R-B8_15099
SUBJECT_SAMPLE_FACTORS           	-	Q16	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q16_11-1-2023_R-B9_14909; RAW_FILE_NAME=Q16_11-1-2023_R-B9_14974; RAW_FILE_NAME=Q16_11-2-2023_R-B9_15038; RAW_FILE_NAME=Q16_11-3-2023_R-B9_15097
SUBJECT_SAMPLE_FACTORS           	-	Q17	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q17_10-31-2023_R-C1_14903; RAW_FILE_NAME=Q17_11-1-2023_R-C1_14968; RAW_FILE_NAME=Q17_11-2-2023_R-C1_15032; RAW_FILE_NAME=Q17_11-3-2023_R-C1_15091
SUBJECT_SAMPLE_FACTORS           	-	Q18	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q18_11-1-2023_R-C2_14917; RAW_FILE_NAME=Q18_11-2-2023_R-C2_14982; RAW_FILE_NAME=Q18_11-3-2023_R-C2_15046; RAW_FILE_NAME=Q18_11-3-2023_R-C2_15105
SUBJECT_SAMPLE_FACTORS           	-	Q19	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q19_11-1-2023_R-C3_14916; RAW_FILE_NAME=Q19_11-2-2023_R-C3_14981; RAW_FILE_NAME=Q19_11-3-2023_R-C3_15045; RAW_FILE_NAME=Q19_11-3-2023_R-C3_15104
SUBJECT_SAMPLE_FACTORS           	-	Q20	Sample source:Bee head | Treatment:Early mated	RAW_FILE_NAME=Q20_10-31-2023_R-C4_14904; RAW_FILE_NAME=Q20_11-1-2023_R-C4_14969; RAW_FILE_NAME=Q20_11-2-2023_R-C4_15033; RAW_FILE_NAME=Q20_11-3-2023_R-C4_15092
SUBJECT_SAMPLE_FACTORS           	-	Q21	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q21_11-1-2023_R-C6_14915; RAW_FILE_NAME=Q21_11-1-2023_R-C6_14980; RAW_FILE_NAME=Q21_11-3-2023_R-C6_15044; RAW_FILE_NAME=Q21_11-3-2023_R-C6_15103
SUBJECT_SAMPLE_FACTORS           	-	Q22	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q22_11-1-2023_R-C7_14921; RAW_FILE_NAME=Q22_11-2-2023_R-C7_14986; RAW_FILE_NAME=Q22_11-3-2023_R-C7_15050; RAW_FILE_NAME=Q22_11-3-2023_R-C7_15109
SUBJECT_SAMPLE_FACTORS           	-	Q23	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q23_11-1-2023_R-C8_14914; RAW_FILE_NAME=Q23_11-1-2023_R-C8_14979; RAW_FILE_NAME=Q23_11-3-2023_R-C8_15043; RAW_FILE_NAME=Q23_11-3-2023_R-C8_15102
SUBJECT_SAMPLE_FACTORS           	-	Q24	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q24_11-1-2023_R-C9_14941; RAW_FILE_NAME=Q24_11-2-2023_R-C9_15006; RAW_FILE_NAME=Q24_11-3-2023_R-C9_15070; RAW_FILE_NAME=Q24_11-4-2023_R-C9_15129
SUBJECT_SAMPLE_FACTORS           	-	Q25	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q25_11-1-2023_R-D1_14908; RAW_FILE_NAME=Q25_11-1-2023_R-D1_14973; RAW_FILE_NAME=Q25_11-2-2023_R-D1_15037; RAW_FILE_NAME=Q25_11-3-2023_R-D1_15096
SUBJECT_SAMPLE_FACTORS           	-	Q26	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q26_11-1-2023_R-D2_14940; RAW_FILE_NAME=Q26_11-2-2023_R-D2_15005; RAW_FILE_NAME=Q26_11-3-2023_R-D2_15069; RAW_FILE_NAME=Q26_11-4-2023_R-D2_15128
SUBJECT_SAMPLE_FACTORS           	-	Q27	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q27_11-1-2023_R-D3_14929; RAW_FILE_NAME=Q27_11-2-2023_R-D3_14994; RAW_FILE_NAME=Q27_11-3-2023_R-D3_15058; RAW_FILE_NAME=Q27_11-4-2023_R-D3_15117
SUBJECT_SAMPLE_FACTORS           	-	Q28	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q28_10-31-2023_R-D4_14897; RAW_FILE_NAME=Q28_11-1-2023_R-D4_14962; RAW_FILE_NAME=Q28_11-2-2023_R-D4_15026; RAW_FILE_NAME=Q28_11-3-2023_R-D4_15085
SUBJECT_SAMPLE_FACTORS           	-	Q29	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q29_10-31-2023_R-D5_14898; RAW_FILE_NAME=Q29_11-1-2023_R-D5_14963; RAW_FILE_NAME=Q29_11-2-2023_R-D5_15027; RAW_FILE_NAME=Q29_11-3-2023_R-D5_15086
SUBJECT_SAMPLE_FACTORS           	-	Q30	Sample source:Bee head | Treatment:Banked	RAW_FILE_NAME=Q30_10-31-2023_R-D6_14899; RAW_FILE_NAME=Q30_11-1-2023_R-D6_14964; RAW_FILE_NAME=Q30_11-2-2023_R-D6_15028; RAW_FILE_NAME=Q30_11-3-2023_R-D6_15087
SUBJECT_SAMPLE_FACTORS           	-	Q31	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q31_11-1-2023_R-D8_14925; RAW_FILE_NAME=Q31_11-2-2023_R-D8_14990; RAW_FILE_NAME=Q31_11-3-2023_R-D8_15054; RAW_FILE_NAME=Q31_11-3-2023_R-D8_15113
SUBJECT_SAMPLE_FACTORS           	-	Q32	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q32_11-1-2023_R-D9_14935; RAW_FILE_NAME=Q32_11-2-2023_R-D9_15000; RAW_FILE_NAME=Q32_11-3-2023_R-D9_15064; RAW_FILE_NAME=Q32_11-4-2023_R-D9_15123
SUBJECT_SAMPLE_FACTORS           	-	Q33	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q33_11-1-2023_R-E1_14912; RAW_FILE_NAME=Q33_11-1-2023_R-E1_14977; RAW_FILE_NAME=Q33_11-3-2023_R-E1_15041; RAW_FILE_NAME=Q33_11-3-2023_R-E1_15100
SUBJECT_SAMPLE_FACTORS           	-	Q34	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q34_11-1-2023_R-E2_14937; RAW_FILE_NAME=Q34_11-2-2023_R-E2_15002; RAW_FILE_NAME=Q34_11-3-2023_R-E2_15066; RAW_FILE_NAME=Q34_11-4-2023_R-E2_15125
SUBJECT_SAMPLE_FACTORS           	-	Q35	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q35_11-1-2023_R-E3_14928; RAW_FILE_NAME=Q35_11-2-2023_R-E3_14993; RAW_FILE_NAME=Q35_11-3-2023_R-E3_15057; RAW_FILE_NAME=Q35_11-4-2023_R-E3_15116
SUBJECT_SAMPLE_FACTORS           	-	Q36	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q36_11-1-2023_R-E4_14927; RAW_FILE_NAME=Q36_11-2-2023_R-E4_14992; RAW_FILE_NAME=Q36_11-3-2023_R-E4_15056; RAW_FILE_NAME=Q36_11-3-2023_R-E4_15115
SUBJECT_SAMPLE_FACTORS           	-	Q37	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q37_10-31-2023_R-E5_14900; RAW_FILE_NAME=Q37_11-1-2023_R-E5_14965; RAW_FILE_NAME=Q37_11-2-2023_R-E5_15029; RAW_FILE_NAME=Q37_11-3-2023_R-E5_15088
SUBJECT_SAMPLE_FACTORS           	-	Q38	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q38_11-1-2023_R-E6_14922; RAW_FILE_NAME=Q38_11-2-2023_R-E6_14987; RAW_FILE_NAME=Q38_11-3-2023_R-E6_15051; RAW_FILE_NAME=Q38_11-3-2023_R-E6_15110
SUBJECT_SAMPLE_FACTORS           	-	Q39	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q39_10-31-2023_R-E7_14901; RAW_FILE_NAME=Q39_11-1-2023_R-E7_14966; RAW_FILE_NAME=Q39_11-2-2023_R-E7_15030; RAW_FILE_NAME=Q39_11-3-2023_R-E7_15089
SUBJECT_SAMPLE_FACTORS           	-	Q40	Sample source:Bee head | Treatment:Late mated	RAW_FILE_NAME=Q40_11-1-2023_R-E8_14924; RAW_FILE_NAME=Q40_11-2-2023_R-E8_14989; RAW_FILE_NAME=Q40_11-3-2023_R-E8_15053; RAW_FILE_NAME=Q40_11-3-2023_R-E8_15112
#COLLECTION
CO:COLLECTION_SUMMARY            	Queens were produced by Scandia Honey in May 2023 in Scandia, AB, Canada,
CO:COLLECTION_SUMMARY            	according to standard queen rearing methods.
CO:SAMPLE_TYPE                   	queen bee head
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	very young (≤ 1 day old) larvae were grafted from a single mother colony into
TR:TREATMENT_SUMMARY             	queen cell cups (JZBZ) and reared into queen cells in strong cell builder
TR:TREATMENT_SUMMARY             	colonies. Ten days after grafting (June 1), queen cells were placed in mating
TR:TREATMENT_SUMMARY             	nucleus colonies (nucs).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	two-phase extraction was conducted according to methods previously described at
SP:SAMPLEPREP_SUMMARY            	J. Lipid Res. 49, 1137–1146 (2008)
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Lipids were separated on an ACQUITY UPLC CSH C18 analytical column (130Å, 1.7
CH:CHROMATOGRAPHY_SUMMARY        	µm, 2.1 mm X 100 mm, Waters) with a multi-step elution gradient optimized to
CH:CHROMATOGRAPHY_SUMMARY        	resolve polar lipids such as hydroxylated fatty acids analyzed.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	100% water; 10 mM ammonium formate; 0.1% formic acid
CH:SOLVENT_B                     	10% acetonitrile/90% isopropanol; 10 mM ammonium formate; 0.1% formic acid
CH:FLOW_GRADIENT                 	0 min (20% B), 0–2 min (20% B), 2–11 min (80% B), 11–11.5 min (99% B),
CH:FLOW_GRADIENT                 	11.5–13.2 min (99% B), 13.2–14 min (5% B), and 14–18 min (5% B).
CH:FLOW_RATE                     	0.4 ml/min
CH:COLUMN_TEMPERATURE            	65
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Bruker Impact II
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Data was collected using data-dependent high-resolution mass spectral
MS:MS_COMMENTS                   	acquisition (LC-HRMS/MS - Bruker Impact II) in ESI+ and ESI-. For ESI+, the mass
MS:MS_COMMENTS                   	spectrometer settings were as follows: capillary voltage of 4500 V, nebulizer
MS:MS_COMMENTS                   	gas pressure of 2.0 bar, dry gas flow rate of 9 L min-1, dry gas temperature of
MS:MS_COMMENTS                   	220°C, mass scan range of 100-1700 m/z. To achieve a lower limits of detection,
MS:MS_COMMENTS                   	spectra acquisition rate was set at 3 Hz, and a cycle time of 0.6 s. Collision
MS:MS_COMMENTS                   	energy of 20 V was ramped through each MS/MS scan from 100 to 250%
MS:MS_RESULTS_FILE               	ST003101_AN005074_Results.txt	UNITS:Rel Abundance	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Rel Abundance
MS_METABOLITE_DATA_START
Samples	Q11	Q12	Q13	Q14	Q15	Q16	Q17	Q18	Q19	Q20	Q21	Q22	Q23	Q24	Q25	Q26	Q27	Q28	Q29	Q30	Q31	Q32	Q33	Q34	Q35	Q36	Q37	Q38	Q39	Q40	V1	V10	V2	V3	V4	V5	V6	V7	V8	V9
Factors	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Early mated	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Banked	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Late mated	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin	Sample source:Bee head | Treatment:Virgin
(2-acetyloxy-3-hydroxypropyl) -octadecenoate	2914	2237	1921	2542	2242	2143	2460	2516	2587	2388	1319	2165	1991	1706	1889	1802	1776	1717	1747	1641	1563	2050	1384	1877	1775	2106	1842	2108	1915	1727	4136	4200	2165	2878	5018	2989	3164	3594	2310	5533
hydroxyoxotetradecenoic acid	71	79	78	45	68	97	91	81	44	43	84	129	159	100	121	112	80	171	104	86	141	160	77	161	190	170	203	186	246	219	17	28	28	29	15	32	24	20	26	15
hydroxydecenoic acid	278	669	565	500	829	745	813	618	287	513	350	421	907	428	359	343	243	615	252	228	417	495	301	476	300	453	506	447	619	352	42	71	56	61	36	55	156	32	128	30
trihydroxyoctadecenoic acid	744	824	1362	669	1317	1114	1217	917	400	808	1537	3172	3837	2346	1553	1081	749	3672	1485	1140	3442	3620	1652	6493	3143	5220	5122	7236	6296	4060	238	280	275	291	242	236	343	254	324	208
2,3-dinor-8-iso-PGF2a	4142	5712	8035	5340	8628	7834	10058	7938	2807	6295	9758	13958	29124	13015	12335	8511	5266	18208	6629	5898	12062	16637	6848	17954	12076	16514	15077	16255	16874	11377	590	690	660	684	580	662	766	578	645	607
hydroxylauroylcarnitine	198	244	529	258	555	503	713	191	261	799	93	187	48	69	205	236	368	456	69	184	391	240	152	465	417	427	639	260	426	533	15	9	23	18	6	8	80	8	30	3
octenoic acid	2284	3894	6475	2984	6285	4238	6086	4524	1525	3683	2899	5683	10703	4537	2873	2695	2612	4975	3765	3238	4482	8185	2798	5509	5599	7139	6302	7919	9836	5434	474	909	981	918	228	896	1637	268	1148	328
phenylbutyric acid	1801	2441	2326	2383	2413	2338	4260	2008	1422	2011	929	1215	2278	1633	1042	1376	988	2301	877	679	1389	1720	823	1241	1561	1478	1231	1582	1584	1172	188	172	227	196	154	185	282	174	226	166
hydroxybenzoic acid	651	282	1173	185	189	413	356	220	449	195	684	599	753	472	270	459	517	694	212	571	766	334	286	1350	819	894	608	1488	315	811	20	50	25	42	13	30	96	22	39	20
hydroxynonanal	1689	2069	1414	1356	1723	2067	2098	1155	542	1683	390	657	1378	992	489	488	417	1232	678	451	975	1239	423	1265	934	1094	1108	1323	1227	731	711	1112	1240	1309	474	926	1407	430	1630	442
propylphenol	704	947	998	986	961	949	1550	796	567	762	404	530	849	717	429	597	459	792	338	296	600	725	339	515	645	600	444	658	551	527	151	150	146	107	109	111	164	138	135	139
dotriacontenoic acid	845	830	957	949	469	694	599	682	874	1032	1486	2434	3870	4708	2100	4095	3334	3387	2287	3076	846	1130	1025	694	1660	1389	1129	1351	1021	1011	322	310	267	300	226	224	269	225	231	263
dehydro TXB2	1471	1304	1136	980	1528	1506	1497	793	562	1182	776	2450	2340	1792	1069	1233	782	2973	1723	830	3868	2349	976	5022	2106	2085	2655	2853	2209	1788	372	381	389	478	367	428	394	442	374	378
dihydro prostaglandin F1alpha	175	134	171	125	206	170	159	193	83	160	169	353	515	331	227	195	131	664	285	166	531	515	255	1081	527	1302	867	1114	808	721	98	112	88	100	83	53	108	88	93	63
dihydro-15-keto prostaglandin D1	6427	7476	6108	5625	8234	7533	7584	6127	3127	6689	5418	10692	13673	11681	6758	6346	4457	12770	9224	4896	12637	12940	5083	15742	9421	13487	12356	14545	14061	9605	2359	2340	2584	2620	2275	2477	2812	2188	2873	2346
13,14-dihydro-19-hydroxyPGE1	1448	3344	2380	3260	2335	2587	3271	2208	777	1218	2951	6700	9529	13091	8213	3025	6612	6788	14541	7351	4151	7598	1939	5958	7680	9003	9084	13397	12429	6438	56	90	91	193	35	55	409	38	149	38
13,14-dihydro-PGE1	3351	3267	3202	2544	3610	3492	3421	2764	1661	3097	2737	5871	7819	6196	3314	3106	2453	7566	4888	2787	7035	7136	3102	10835	6251	9281	8954	10810	8954	6250	1356	1467	1450	1651	1245	1225	1681	1245	1651	1340
hydroxyprostaglandin E2	16392	20789	16240	21092	14063	19735	25182	18756	14184	18362	11152	15701	21852	18236	14511	13615	12650	22867	10083	10980	14091	17084	8621	15934	15047	16174	16271	16103	18693	11666	178	1408	811	460	78	894	3753	65	2431	92
nordehydrolanosterol	2247	2537	1719	2146	1350	2156	1420	2069	2099	1933	3633	5626	2012	2607	5336	4910	3946	6821	6771	7723	1580	3695	1288	1464	1589	1968	1579	2827	1951	963	1006	1266	1179	1725	897	1390	1419	964	1414	1054
arachidyl carnitine	172	343	236	162	326	326	290	376	222	257	100	200	171	209	232	184	244	166	149	181	137	205	126	139	162	231	225	271	106	157	488	519	275	303	639	313	312	653	271	1007
campesterol	718	783	625	654	303	836	569	672	901	842	613	769	903	782	739	805	844	690	739	728	609	782	465	703	699	734	643	758	682	673	777	983	779	940	791	862	956	867	850	788
cer(d18:0/18:1)	21256	22595	22859	19536	21860	19638	20489	24555	22979	22646	8684	23552	21669	15881	19164	25674	21693	22034	19686	23108	17572	20030	4441	17519	16604	14657	18936	19951	19484	20099	19797	23181	15221	22421	22283	20731	24084	21238	22138	20824
cer(d18:0/22:1)	1669	1821	1798	1597	1710	1757	2019	1937	1810	1878	1121	2011	1992	1595	1533	1881	1719	1855	1726	1810	1474	1578	1032	1553	1474	1349	1591	1652	1598	1631	1581	1974	1611	1900	2391	1899	2123	2360	1876	2290
cer(d18:0/24:0)	9341	13427	8862	13694	9093	10603	7759	12208	7231	11154	12702	18212	9190	18140	16892	13369	10287	29492	32801	25413	6232	14889	5903	6660	6086	9876	6941	9719	9136	4942	2808	4251	3735	4388	2332	4216	4298	2864	3809	3015
cer(d18:1/16:0)	13259	14164	13744	12970	12814	13352	14174	14744	13522	13955	7967	13900	13780	11934	11116	12379	12968	13147	11669	11775	10911	11900	7748	11684	12125	9968	11871	12577	11223	12742	13488	16126	12181	15309	19123	15408	16957	19634	15893	18780
ceramide 1	2738	3022	2401	2599	2637	2851	2733	3150	2367	2026	3482	6011	4377	3330	4290	3370	5168	4761	6225	4687	5938	6011	4691	5582	5913	5656	6163	4946	4958	5283	4709	2300	1998	1868	3170	1882	2156	4079	3365	3860
cholesterol	174	177	194	231	170	142	175	198	120	153	135	251	160	185	245	226	190	165	216	141	189	202	239	303	293	439	320	207	296	463	249	240	160	248	224	258	230	233	234	233
cinnamaldehyde	467	485	441	689	203	541	628	423	474	397	108	194	263	229	116	130	105	309	182	83	180	163	92	269	222	243	295	244	366	214	57	168	164	323	26	120	325	29	215	32
CL(16:0/17:0/i-18:0/a-21:0)	32287	26022	28695	26828	25564	25899	31643	23938	27196	28529	12562	33111	23705	21782	26745	26217	25894	31547	25270	26435	28137	27657	22147	27479	24075	27818	27394	29088	28824	23460	23643	36249	27890	36329	30648	34133	35385	23532	35043	32876
CL(i-13:0/a-25:0/18:2/i-18:0)	10561	9188	9348	8882	9973	9119	10797	8544	9316	9778	4856	10040	8411	8624	10683	9570	9769	10510	8992	10309	10269	10795	8248	10386	9591	10453	11075	10723	11568	10139	6239	11223	8419	11146	10073	10544	10682	8310	10413	9752
coenzyme Q9	3920	3638	4283	4777	3703	3492	3439	3986	3119	3235	1888	2557	2731	3808	3756	2406	3211	2245	2892	2770	3193	3304	1913	2842	2802	3007	2391	3173	2969	3399	3950	4822	3280	4448	2827	3358	4477	3450	4532	3445
cucurbic acid	33800	43131	42465	48781	37282	44953	54054	46015	18871	45046	25795	32300	53827	45292	31232	31047	25128	53847	29119	23039	30068	46764	18644	34093	32438	44131	40577	44643	39218	27384	5210	7912	7103	7273	3295	6865	13716	3424	11754	4127
cuminyl alcohol	28623	30240	24167	24143	29564	34215	34901	19806	8224	25961	5492	11500	21521	17314	7456	7174	6364	18625	9793	5657	17179	22684	5713	23716	15425	17467	16464	22580	19915	10967	11182	19154	18192	22528	6051	13471	25148	6062	26252	6400
desmesterol	206	512	532	427	605	827	235	656	358	246	1071	3526	683	539	2593	1284	883	1904	1263	1178	355	277	683	320	824	1551	363	951	4082	1252	164	212	187	184	150	188	230	168	202	174
DG(14:0/16:1/0:0)	996	1340	1303	1846	1288	1356	1355	1726	1524	1717	461	1179	709	861	654	1010	1110	758	740	668	827	1041	598	1153	706	1010	1063	659	639	856	881	901	613	762	918	603	981	754	775	751
DG(18:0/18:2/0:0)	2385	1835	2130	1792	1862	2158	2016	1936	2219	1814	2287	3181	2925	2679	2568	3108	3015	2286	2209	2402	2967	2148	1813	2206	2101	2360	2352	1887	1988	2594	2598	2228	1706	1874	2459	1782	1944	2631	1842	2448
DG(18:1/16:0/0:0)	48639	33670	37743	38180	28193	37786	45674	45963	45842	44885	21358	42770	32369	29931	33765	41723	37733	31091	26490	29511	35526	40981	19771	40302	34814	41134	41787	30402	29594	36795	64279	56364	36048	45627	88110	37904	42079	62868	32367	60846
Dicoumaroyl Spermidine	4	6	7	9	6	8	5	5	15	11	69	110	122	110	91	71	22	42	56	11	37	11	32	1235	36	173	80	172	1887	242	13	29	10	15	6	2	4	2	10	3
dihydrojasmone	8087	9743	10706	13066	7628	9972	12377	11074	4090	9716	5770	7579	12684	12542	6901	8055	6257	12145	6292	4906	7255	12262	3943	8725	8200	11029	8919	11045	8534	6304	914	1550	962	1100	297	996	2962	440	2286	564
dihydrotachysterol	39143	48144	35179	44995	37171	44574	28711	45104	31037	31942	69593	78243	25542	35436	85772	61207	62680	73193	91269	89128	31233	61526	29280	31901	30998	44699	28521	55368	33318	18832	14650	22053	20738	26411	11099	21687	23857	13563	22348	14798
dodecadienoic acid	520	794	788	884	642	710	746	682	495	595	942	1161	1814	2133	1516	1197	1142	1696	1894	1159	1055	1538	686	910	1484	1496	1537	2062	1649	1528	181	347	251	357	158	270	433	139	393	176
dodecadienoic acid_iso	142	275	253	253	362	311	202	245	227	197	283	446	490	526	321	341	302	254	495	321	374	421	193	310	434	418	327	648	437	550	91	135	106	154	88	98	176	89	148	101
dodecenoylcarnitine	364	304	349	198	1024	734	1057	335	456	1802	177	127	34	18	412	227	273	317	31	113	532	255	153	578	401	502	1149	212	534	774	7	17	8	40	5	11	42	9	16	7
ISTD_Cholesterol-d7_700041	104	110	120	115	120	112	101	117	128	111	153	107	127	125	118	118	135	103	105	99	95	111	51	124	111	135	141	128	136	123	141	136	107	117	132	113	140	142	126	128
ISTD_Lyso PC (18:1-d7)_791643	2402	2737	2640	2454	2573	2175	2620	2883	2584	2843	2266	2486	2292	2437	2287	1996	2541	2455	2215	2367	2287	2458	1287	2420	2211	2557	2438	2405	1905	2151	2297	2659	2631	2509	2497	2581	2235	2296	2782	2548
ISTD_MG (18:1-d7)_791646	143	163	155	121	117	138	106	138	119	119	148	108	134	140	109	142	132	92	119	89	113	126	87	106	117	97	133	110	122	140	123	118	99	124	138	128	141	144	89	111
ISTD_PC (15:0-18:1-d7)_791637	19912	16387	21232	20664	19377	22798	20846	23937	22155	21246	18771	17440	19036	19626	20000	17826	20051	19973	19773	19979	19080	24186	11055	20152	19123	20338	20024	20129	20838	21265	20762	23507	16361	20634	20285	19906	20508	20092	20703	20882
ISTD_SM (18:1-d9)_791649	3128	3088	3083	3120	2964	3086	3062	3170	3195	3152	2866	2572	3121	2990	2998	2735	3047	3092	2728	2919	2985	3110	1968	3031	2960	3106	3013	2985	3078	3490	3133	3422	2523	2974	3152	2997	3263	3308	3202	3253
ISTD_TG (15:0-18:1-d7-15:0)_791648	16795	12327	14678	18715	13599	13450	13780	12644	13253	17418	16818	19002	22760	41809	18416	22574	16018	21867	16353	22696	13795	13314	8612	13568	14668	15816	13842	14994	17667	14835	12313	14352	10398	12984	11716	12583	12912	12564	12200	11681
LPC 16:0	3079	3085	2968	3156	2847	3240	2844	3309	3319	2801	2622	3124	3027	3144	2927	3023	2721	2848	2996	11202	2756	3287	2541	3040	2800	3013	3056	3020	2965	2893	7332	13129	3023	3524	3350	22480	3702	40772	4298	3924
LPC 18:1	7392	8470	6997	8441	6740	5480	6246	7972	7296	7769	5411	9483	9312	8780	8251	6330	6794	9089	7575	42829	8427	11335	4770	7747	7421	8124	9886	8201	7115	6440	31565	60827	8857	8853	8555	113440	8978	155776	14195	11716
LPC 18:1_iso	6599	7480	4379	6243	5132	6703	6973	10795	5596	5090	4470	7712	9103	8181	7365	6531	5492	6852	8854	7596	7573	8795	3922	5596	5773	6945	6186	7327	6615	6503	4525	5360	4313	5877	6544	6685	6222	8719	6361	5335
LPE 18:1	1736	1523	1808	1815	1514	1387	1682	1821	1414	1657	1019	1929	1998	2290	1718	1184	1889	2095	2365	1599	1616	1962	1204	1704	1413	1922	1614	1939	1598	1473	1253	1652	1194	1199	1263	1300	1216	1332	1576	1180
lysoPC(0:0/18:0)	1699	1603	1619	1782	1550	1679	1493	1852	1745	1730	1464	2353	2066	2118	2183	1737	1797	2260	1864	8814	2126	2675	1536	1830	2126	2145	2245	2034	2176	1881	5208	9692	1476	1839	1893	17270	2025	29832	2769	2198
lysoPC(O-18:0/0:0)	480	403	309	324	357	425	272	408	340	361	278	381	392	402	442	254	369	414	341	697	286	406	263	293	368	307	347	358	379	402	614	937	417	715	347	1750	494	1266	581	397
lysoPE(0:0/18:3)	278	311	363	367	340	278	366	331	308	299	218	352	520	397	351	300	303	330	372	395	426	489	375	469	365	420	421	477	542	398	310	335	257	312	296	272	408	265	297	304
noradrenaline	169	135	199	179	114	147	129	127	124	146	74	84	119	101	70	99	89	89	92	92	95	121	76	118	144	97	106	145	115	124	174	212	187	150	237	199	198	264	187	178
orsellinic acid, ethyl ester	2249	996	2438	597	501	970	1182	986	1496	699	623	735	963	537	655	530	497	1485	429	348	779	1318	445	1312	1265	1211	1302	1131	567	1223	193	227	187	204	200	219	225	196	210	191
PA(22:6/22:2)	53740	61276	60569	59122	57178	64637	62566	74383	69565	55188	39335	58639	70551	62495	70826	68924	64483	72951	60615	69445	89800	110697	63051	108698	100068	100194	115680	96680	114380	105992	66918	74060	61708	76367	75610	59384	72645	66077	66907	66854
PA(24:1/22:2)	3804	3584	4278	4328	3520	2851	4148	3823	3615	3719	2816	3876	4847	4607	4755	3619	6938	3657	4243	4158	4252	4387	819	4106	3161	4078	4193	4480	4157	3720	3692	4187	3657	4054	3233	3374	3928	3209	3610	3130
palmitoylcanitine	317	403	398	426	478	308	328	340	355	426	187	399	201	603	404	395	562	298	252	159	97	163	79	91	119	129	98	166	72	94	190	303	177	198	310	170	194	263	169	209
PC(14:0/14:0)	1083	909	1064	1005	1035	1282	1069	909	955	1296	686	1067	1107	1127	885	1149	1385	1028	984	1063	995	1219	572	1295	1087	1095	894	995	1115	1081	1447	1929	1265	1373	1486	1748	2095	1296	1992	1594
PC(16:0/18:3)	9591	13701	14280	14812	13727	14593	14866	20325	16778	12096	8944	19632	16980	16239	19291	20354	20124	20598	14875	17898	21889	26418	11931	25611	20981	23264	26049	22597	25168	23799	11018	13575	10480	12882	13327	10317	13224	11072	11889	12251
PC(16:1/0:0)	880	1121	1209	1469	1170	1231	1066	1254	1112	1173	925	1377	1361	1224	1079	1112	1107	1350	1275	4572	1097	1520	875	1158	832	931	1275	1239	1060	959	1531	3692	1090	1005	799	7146	1060	7180	1143	889
PC(16:1/16:1)	32522	52240	78619	81723	58370	59747	51187	64235	51967	48713	48178	77140	38532	57100	61958	75261	51636	77417	68615	75544	67075	75994	34665	50737	38464	43077	49652	60418	38026	41142	24038	29463	33078	46723	23300	38827	38838	27371	43043	29981
PC(24:0/18:2)	10220	9336	9210	9209	9587	9240	9986	9546	9724	9618	6809	10600	9875	8934	9801	9324	9066	9809	10389	9759	8922	9389	7405	9009	9519	9568	9103	9650	9775	9198	9268	10461	9425	10090	10152	10280	9973	9143	9852	9787
PC(P-16:0/18:1-2OH)	1488	2252	3094	3517	2139	2752	2451	3256	2321	2227	780	2021	1401	1186	1759	1889	1383	2269	1658	1720	1562	2800	729	1502	1207	1385	1952	1769	1565	1268	817	949	591	1001	845	834	1088	771	984	919
PC(P-16:0/20:3-OH)	15259	15214	17287	18220	15634	16262	17200	24151	18781	14584	11167	23679	19062	18506	21322	21991	21138	20839	17401	22334	25368	25856	13989	25977	23332	24237	23976	24545	27944	26519	12916	16307	12143	15100	14786	12044	17242	13261	15752	12977
PC(P-18:1/18:3-OH)	156677	172874	176216	170408	165994	182867	180348	210833	196802	158404	113900	167471	199354	176931	202037	199670	184084	209132	169554	196843	254148	306095	173520	308124	282001	283026	318721	275090	321701	296067	184610	205881	172169	214410	210070	166068	206548	184438	188919	187622
PE(16:0/0:0)	95	83	114	80	63	122	81	67	89	89	51	100	85	55	92	107	69	70	62	501	62	71	92	61	69	71	123	86	102	75	446	853	97	140	145	1698	115	2333	197	173
PE(16:0/16:1)	4763	6907	15215	11038	8528	9508	9359	9578	9278	8587	5238	7966	5667	5590	7637	10805	6150	8795	6675	7742	7005	7580	5420	6007	4972	6047	6450	6687	5387	4987	3183	3793	2875	4176	3293	3613	4424	2922	3963	3268
PE(16:0/18:1)	80438	78052	91569	80748	72827	84205	91575	81169	82643	79607	45469	84628	64971	67003	76306	76156	72451	80228	66065	73315	68951	72125	52182	68596	65941	77599	75179	76148	73184	65509	47262	62703	53208	63900	51169	62201	61228	42347	59620	51744
PE(18:0/0:0)	296	240	347	267	207	266	290	209	235	255	178	336	270	344	308	334	278	361	223	2099	319	423	326	358	298	341	482	254	347	259	1631	2883	332	401	461	4825	528	10071	695	658
PE(18:1/0:0)	418	411	458	448	435	380	373	415	405	434	334	528	484	632	504	425	480	441	390	3100	441	601	380	502	429	489	580	503	472	480	2140	4435	467	646	555	8206	784	10946	968	856
PE(18:1/18:0)	127786	111062	115989	106108	108967	105218	116188	99497	113449	122689	74632	129332	119073	109988	131763	133247	121796	161729	141929	149875	114549	135803	90804	118859	123244	153433	146787	142392	139900	134981	56134	101099	92135	95855	91166	99254	91904	78745	94237	83901
PE(18:2/18:4)	5518	6586	6635	6817	7642	6788	8582	8351	7767	6066	6482	10184	9235	10021	9989	11473	10987	10625	7921	11207	12046	13173	9998	15788	12876	14442	14626	12529	13618	14885	3425	4758	4210	4643	3470	3777	4772	3068	4030	3461
PE(18:3/22:5)	13810	16209	18228	19730	15390	18978	16392	19370	17163	15509	8109	16250	13724	12180	15437	16427	13799	16447	15156	14105	14349	20930	8696	12756	11998	13940	14076	15180	13624	12479	8147	10565	7066	10724	9465	10193	10976	8182	10410	9352
PE(20:1/20:0)	517	876	1030	1194	812	953	818	1101	882	841	414	710	559	427	597	728	530	745	615	641	544	856	266	512	453	500	687	589	579	423	293	306	227	359	244	256	401	218	332	272
PE(22:2/22:0)	14453	13779	13491	13410	13414	13065	14127	13180	13401	13464	9679	15425	14755	13391	14188	13850	13381	14235	14639	14468	13433	13395	10393	13823	14167	13686	14225	14257	14751	13843	12513	13899	12568	13938	14759	14150	13889	12997	13845	14195
PE(O-16:0/18:1)	12631	11341	13900	13781	12238	11250	13948	10257	11614	12814	7413	12793	12843	13595	12370	13947	13136	12169	11660	13148	11538	14583	9399	12223	12020	13067	12318	13387	13461	13314	9029	11266	8374	10777	10928	12932	10428	10360	10171	11827
PE(P-16:0/16:0)	1132	1270	1793	1456	1239	1100	1284	1058	1043	1837	1067	2033	1613	2254	1721	2420	1841	2432	1305	1803	1276	1134	1155	1373	1367	1893	1752	1555	1983	1695	550	797	635	826	801	919	792	689	790	773
PE(P-16:0/20:0)	53676	49483	45747	48151	46928	31633	44567	45397	47243	51903	27464	45378	46324	39651	50898	38029	42498	42173	46407	43985	42608	47189	7989	44995	47036	40951	44791	50589	46040	46226	48496	53028	44906	53017	51435	58545	45751	44366	50149	50036
PE(P-18:0/16:0)	3144	3264	3593	3630	3802	3070	3739	3611	3584	3343	2578	3518	3319	3550	3631	4200	3843	3715	2820	3691	4383	4896	4246	5445	4134	5059	5132	4536	4630	5115	3618	5166	3962	4460	5299	4330	5025	4439	4834	4961
PGG2	965	1557	1155	1988	1324	1692	2113	1605	1321	1002	1223	1347	2362	3356	2175	1868	1180	2459	1010	1021	1467	1984	906	1562	1206	1816	1577	2163	2119	1471	175	210	181	151	169	180	236	141	222	154
methyl oleate	5154	3404	6643	4094	3345	3306	4383	2696	4627	5422	3116	4161	4629	4709	4106	3749	4466	7135	3420	4548	5579	4846	4277	4219	5631	6839	5845	6019	5648	9060	709	734	763	687	1101	999	834	1167	924	717
10-Hydroxy-2-Decenoic Acid	149964	176623	120297	120499	159333	185198	190650	105962	44968	146366	28630	60198	123333	87835	41489	35283	31513	113468	59292	32554	90201	112652	30632	116949	81164	93582	96486	119415	115253	58532	57416	99324	111659	123757	34631	82306	129263	28552	138562	32452
9-hydroxydec-2-enoic acid	100178	150549	135028	154042	130830	139676	158609	126096	76247	100434	135548	212482	282592	347286	228921	140677	206496	215582	346944	214351	160404	232201	102269	202106	226174	257345	248010	344441	319025	202544	18438	26762	24397	34093	9083	21438	54486	8921	36726	13036
4-hydroxy-3-methoxyphenylethanol	1758	1302	2270	1040	836	1160	1257	1454	1360	1062	1152	1273	1470	1359	1244	1268	1059	2750	1064	1149	1366	1878	1104	2865	2083	2352	2710	2015	1337	2017	898	934	926	894	943	794	896	1054	947	885
PI(18:0/18:3)	11312	12731	14505	13855	14515	14481	16226	12917	12746	12728	9035	15060	14576	12940	17933	16432	14951	16360	12869	14759	26381	33225	26691	31496	29511	31047	34463	28843	34162	26708	13641	14621	13478	14825	16634	13957	16031	15406	13828	14627
prostaglandin E-2	16188	15374	12513	16304	15458	19089	20794	11985	5549	14899	9058	20600	30503	29717	14708	13155	7667	32780	13005	7497	27185	31636	8376	32367	24182	24409	22569	28323	23424	12983	935	1314	892	1030	685	1062	1567	813	1400	839
sebacic acid	1194	858	1095	680	879	1386	1407	832	734	779	410	665	850	649	394	636	419	1325	317	322	1367	853	565	2220	1468	1764	1347	1734	1878	1703	82	111	121	151	58	77	161	53	142	73
SM(d14:0/20:0)	13789	11423	13143	12106	11163	13355	15876	13091	16432	11907	4263	9063	8830	8948	9042	7976	9101	9093	7861	8102	7779	9428	5229	12237	10434	10814	9295	10191	10344	10595	19033	19219	12281	19965	20233	16655	18430	18280	18216	20465
SM(d15:1(4E)/16:0)	6189	5195	6199	5537	5224	5425	6222	5494	5546	5146	2691	4207	5557	5589	5221	5092	5996	5664	4704	4664	5567	5192	4655	5090	5210	5854	5802	5439	5972	5387	6931	6335	4843	5916	8723	6339	5967	7911	6048	7617
SM(d16:1/22:0)	57255	57043	55830	51577	55862	56758	62894	61374	57391	53465	23061	49569	42656	43400	46796	46189	46481	48590	47774	50699	46273	49338	27714	49420	43633	48163	50623	49596	52779	47395	44044	54625	44517	56286	49295	57205	55313	44549	53785	48667
SM(d18:0/16:1)	132954	127119	128928	128440	110799	135685	140852	135566	131379	126999	67763	129391	129431	131379	125363	112583	131498	138740	116179	119787	118886	138085	70247	139348	135065	126126	129470	132185	138206	136807	164837	164643	122689	153352	172225	152771	157491	173459	156814	180059
sphingomyelin	263740	267829	241901	245569	239804	262601	283856	272271	268525	248386	136968	242400	218565	227735	232133	210121	232378	237235	221609	239309	229800	239094	153523	241120	231386	233247	234342	245819	248970	243721	233857	257409	201548	248157	229519	247658	249559	228189	246629	235998
TG(12:0/14:1/18:1)	1997	3765	3402	5210	3619	1935	2812	3370	5542	5063	749	1843	1321	2633	1255	1812	2633	1563	1400	1419	2054	2133	1023	1642	1191	1042	1840	1257	2094	1778	68504	7748	7883	4667	53578	5036	5622	50528	4192	82456
TG(12:0/18:1/16:1)	14403	38734	49239	46000	37978	36039	38386	70288	42862	29122	9554	23252	20605	36110	10282	14899	29310	20390	17599	13488	31088	44502	18428	23923	21501	17125	29477	20109	34404	23260	122817	31599	25236	25363	125072	27472	30664	120498	19864	146268
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4)	3088	2994	3062	2955	2870	2770	3265	2762	2988	2935	2152	3304	2740	2924	2913	2979	2975	3024	2921	2906	3000	3006	2723	3005	2884	3045	2929	3133	3077	2915	2562	3359	2875	3395	2965	3210	3390	2728	3307	3324
TG(16:0/16:1/O-18:0)	4301	2335	3649	5872	1600	1877	2050	1700	4987	2475	5569	3447	8536	15738	5332	9971	3814	10538	4804	6453	2701	1894	2383	2799	2905	3465	3164	3759	4493	3946	680	493	441	1024	594	347	1188	620	654	464
TG(16:0/16:1/18:1)	304046	348826	466685	428038	371311	406174	496139	619537	442323	318922	169700	360892	341992	442440	215747	236318	381131	282548	285888	245598	482826	726942	296699	389810	461937	333563	480168	406599	535989	389027	246643	123727	100540	124944	338070	141323	149022	266137	99162	294946
TG(16:0/18:1/18:3)	17679	22149	21276	22931	20341	24532	28486	33600	27031	18688	16938	30803	33541	39553	20148	30220	46155	26577	22478	24519	54956	49523	41341	59395	66439	52794	75966	49590	80427	57278	20520	16599	13447	14308	23905	12993	14562	24970	14320	20667
TG(16:1/18:2/O-18:0)	33358	8174	15778	43589	15861	14658	28059	12554	15852	38795	28098	72696	144296	134810	43860	72885	26123	60969	55509	66691	27894	39460	16852	19049	16786	20022	16360	33997	52369	18445	2472	2618	3952	3056	2256	2568	2328	2982	3815	2031
TG(18:0/18:2/20:4)	230	311	418	404	415	498	501	490	445	292	329	602	500	444	415	809	562	460	334	465	672	361	542	564	344	520	1074	631	1006	595	518	645	434	538	1045	515	388	927	542	707
TG(18:0/O-18:0/18:2)	1061693	489536	834061	1500912	1277349	606551	726355	720841	357967	1080247	432595	1771351	2273658	2067474	1200662	806193	995140	965675	1588193	1179663	1114017	1383236	492549	512775	780818	480719	416749	1161656	1805181	778443	856309	748389	881907	1376956	297406	1264822	780865	247038	1114949	628394
TG(18:1/22:1/O-18:0)	54092	26749	35557	50149	41874	33933	32656	30217	23210	42399	28878	115464	158527	122681	49024	51993	43299	48158	84788	73408	47404	75499	26926	32103	38670	50679	22786	69399	107491	38022	18539	41809	19167	29102	15104	21460	34666	22098	56468	23649
TG(18:1/18:1/20:1)	22232	12430	15492	17542	16236	16093	22992	17989	16494	16348	18528	45404	60656	46560	25190	33236	37764	26626	28088	30016	51156	42077	33466	43797	50532	40116	47212	41476	46914	43926	41311	12116	11739	9734	28809	10824	12059	36118	18229	34648
TG(20:0/18:2/O-18:0)	909416	374751	553199	988108	761611	466681	469626	487145	252739	800879	368571	1829155	2297285	1852736	889897	695722	739529	787187	1409597	1049777	743036	1204815	336476	356820	575413	487857	272041	1120418	1682481	590248	125794	630852	258010	559781	124453	261826	563334	138884	979157	159012
TG(24:0/24:1/18:1)	1472	978	1476	973	1294	1953	911	1338	977	600	1626	1115	1852	1122	3052	1222	1898	1541	1063	1342	2743	5039	1878	901	1671	2055	2090	3094	1927	1605	658	510	432	568	1016	456	540	754	485	1038
trans-cinnamate	107	35	143	25	20	59	50	50	99	46	18	24	20	7	11	11	18	35	12	21	12	26	10	30	29	25	43	27	14	28	14	12	27	17	14	13	17	9	6	9
tyrosine	25	39	23	41	34	30	36	30	35	37	21	28	32	31	30	26	18	40	39	27	28	24	19	24	28	24	31	26	31	30	129	144	148	83	328	110	93	173	108	139
b-sitosterol	19725	21076	16119	16120	13833	21192	12316	18881	18444	17721	26757	22371	8820	10427	30623	24964	24130	26327	26253	30103	17006	26453	14904	15115	19362	28618	16409	29733	14336	12375	7547	12012	11860	14268	5898	10370	13515	7900	10598	7893
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
(2-acetyloxy-3-hydroxypropyl) -octadecenoate
hydroxyoxotetradecenoic acid
hydroxydecenoic acid
trihydroxyoctadecenoic acid
2,3-dinor-8-iso-PGF2a
hydroxylauroylcarnitine
octenoic acid
phenylbutyric acid
hydroxybenzoic acid
hydroxynonanal
propylphenol
dotriacontenoic acid
dehydro TXB2
dihydro prostaglandin F1alpha
dihydro-15-keto prostaglandin D1
13,14-dihydro-19-hydroxyPGE1
13,14-dihydro-PGE1
hydroxyprostaglandin E2
nordehydrolanosterol
arachidyl carnitine
campesterol
cer(d18:0/18:1)
cer(d18:0/22:1)
cer(d18:0/24:0)
cer(d18:1/16:0)
ceramide 1
cholesterol
cinnamaldehyde
CL(16:0/17:0/i-18:0/a-21:0)
CL(i-13:0/a-25:0/18:2/i-18:0)
coenzyme Q9
cucurbic acid
cuminyl alcohol
desmesterol
DG(14:0/16:1/0:0)
DG(18:0/18:2/0:0)
DG(18:1/16:0/0:0)
Dicoumaroyl Spermidine
dihydrojasmone
dihydrotachysterol
dodecadienoic acid
dodecadienoic acid_iso
dodecenoylcarnitine
ISTD_Cholesterol-d7_700041
ISTD_Lyso PC (18:1-d7)_791643
ISTD_MG (18:1-d7)_791646
ISTD_PC (15:0-18:1-d7)_791637
ISTD_SM (18:1-d9)_791649
ISTD_TG (15:0-18:1-d7-15:0)_791648
LPC 16:0
LPC 18:1
LPC 18:1_iso
LPE 18:1
lysoPC(0:0/18:0)
lysoPC(O-18:0/0:0)
lysoPE(0:0/18:3)
noradrenaline
orsellinic acid, ethyl ester
PA(22:6/22:2)
PA(24:1/22:2)
palmitoylcanitine
PC(14:0/14:0)
PC(16:0/18:3)
PC(16:1/0:0)
PC(16:1/16:1)
PC(24:0/18:2)
PC(P-16:0/18:1-2OH)
PC(P-16:0/20:3-OH)
PC(P-18:1/18:3-OH)
PE(16:0/0:0)
PE(16:0/16:1)
PE(16:0/18:1)
PE(18:0/0:0)
PE(18:1/0:0)
PE(18:1/18:0)
PE(18:2/18:4)
PE(18:3/22:5)
PE(20:1/20:0)
PE(22:2/22:0)
PE(O-16:0/18:1)
PE(P-16:0/16:0)
PE(P-16:0/20:0)
PE(P-18:0/16:0)
PGG2
methyl oleate
10-Hydroxy-2-Decenoic Acid
9-hydroxydec-2-enoic acid
4-hydroxy-3-methoxyphenylethanol
PI(18:0/18:3)
prostaglandin E-2
sebacic acid
SM(d14:0/20:0)
SM(d15:1(4E)/16:0)
SM(d16:1/22:0)
SM(d18:0/16:1)
sphingomyelin
TG(12:0/14:1/18:1)
TG(12:0/18:1/16:1)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4)
TG(16:0/16:1/O-18:0)
TG(16:0/16:1/18:1)
TG(16:0/18:1/18:3)
TG(16:1/18:2/O-18:0)
TG(18:0/18:2/20:4)
TG(18:0/O-18:0/18:2)
TG(18:1/22:1/O-18:0)
TG(18:1/18:1/20:1)
TG(20:0/18:2/O-18:0)
TG(24:0/24:1/18:1)
trans-cinnamate
tyrosine
b-sitosterol
METABOLITES_END
#END