#METABOLOMICS WORKBENCH chanpearl_20231026_203513 DATATRACK_ID:4421 STUDY_ID:ST002953 ANALYSIS_ID:AN004850 PROJECT_ID:PR001832
VERSION             	1
CREATED_ON             	November 1, 2023, 6:25 am
#PROJECT
PR:PROJECT_TITLE                 	A study of the physiological functions and impact of secretory protein Cgref1
PR:PROJECT_SUMMARY               	Cell Growth Regulator with EF-Hand Domain 1 (Cgref1) is a secretory protein with
PR:PROJECT_SUMMARY               	limited information on its functions. Our group has performed an extensive study
PR:PROJECT_SUMMARY               	using both in-vitro and in-vivo models. Particularly, we used transgenic mice in
PR:PROJECT_SUMMARY               	which the Cgref1 gene is deleted to enable loss-of-function studies.
PR:PROJECT_SUMMARY               	Cgref1-knockout (KO) mice are generally leaner and metabolically healthier
PR:PROJECT_SUMMARY               	compared to wild type mice. To gain evidence of certain parameters, metabolomics
PR:PROJECT_SUMMARY               	studies have been performed for this project.
PR:INSTITUTE                     	The University of Hong Kong
PR:DEPARTMENT                    	School of Biomedical Sciences
PR:LABORATORY                    	L3-53
PR:LAST_NAME                     	Chan
PR:FIRST_NAME                    	Pearl
PR:ADDRESS                       	21 Sassoon Road, Pokfulam, Hong Kong, HKSAR, NA, Hong Kong
PR:EMAIL                         	pearl20@connect.hku.hk
PR:PHONE                         	+85239176812
#STUDY
ST:STUDY_TITLE                   	Comparisons of hepatic medium & long chain fatty acids expression between wild
ST:STUDY_TITLE                   	type and Cgref1-depleted mice of C57BL/6 strain by targeted GC-MS/MS
ST:STUDY_SUMMARY                 	In this study, we performed a targeted analysis on the expression of hepatic
ST:STUDY_SUMMARY                 	medium & long chain fatty acids between wild type (n=3) and Cgref1-knockout mice
ST:STUDY_SUMMARY                 	(n=2) using targeted GC-MS/MS. The results, however, did not reveal significant
ST:STUDY_SUMMARY                 	differences between the two groups of mice. In the future, a larger sample size
ST:STUDY_SUMMARY                 	and optimization of normalization methods may be helpful to provide more
ST:STUDY_SUMMARY                 	meaningful insights.
ST:INSTITUTE                     	The University of Hong Kong
ST:DEPARTMENT                    	School of Biomedical Sciences
ST:LABORATORY                    	L3-53
ST:LAST_NAME                     	Chan
ST:FIRST_NAME                    	Pearl
ST:ADDRESS                       	21 Sassoon Road, Pokfulam, Hong Kong
ST:EMAIL                         	pearl20@connect.hku.hk
ST:PHONE                         	+85239176812
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	WT1	Genotype:Wild-type	RAW_FILE_NAME=230323_WT1.D
SUBJECT_SAMPLE_FACTORS           	-	WT2	Genotype:Wild-type	RAW_FILE_NAME=230323_WT2.D
SUBJECT_SAMPLE_FACTORS           	-	WT3	Genotype:Wild-type	RAW_FILE_NAME=230323_WT3.D
SUBJECT_SAMPLE_FACTORS           	-	CG1	Genotype:Cgref1-knockout	RAW_FILE_NAME=230323_CG1.D
SUBJECT_SAMPLE_FACTORS           	-	CG2	Genotype:Cgref1-knockout	RAW_FILE_NAME=230323_CG2.D
SUBJECT_SAMPLE_FACTORS           	-	CG3	Genotype:Cgref1-knockout	RAW_FILE_NAME=230323_CG3.D
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse liver tissues were extracted, kept on ice and sent immediately to the the
CO:COLLECTION_SUMMARY            	Centre of Panoromic Sciences (The University of Hong Kong) for testing
CO:COLLECTION_PROTOCOL_FILENAME  	targeted_protocol.pdf
CO:SAMPLE_TYPE                   	Liver
CO:STORAGE_CONDITIONS            	On ice
#TREATMENT
TR:TREATMENT_SUMMARY             	Samples did not receive any treatment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	As described in the provided protocol (see attached file): Sample homogenization
SP:SAMPLEPREP_SUMMARY            	and metabolite extraction 100 μl of chloroform with 20 μg C19:0 fatty acid
SP:SAMPLEPREP_SUMMARY            	internal standard was spiked to the sample. The sample was extracted with 5
SP:SAMPLEPREP_SUMMARY            	rounds of 2:1 Chloroform/Methanol, followed by sonication. After centrifugation,
SP:SAMPLEPREP_SUMMARY            	the supernatant was further cleaned by liquid-liquid extraction in 0.73% NaCl
SP:SAMPLEPREP_SUMMARY            	and Methanol. The resultant mixture was dried under a fume of N2 at 45°C before
SP:SAMPLEPREP_SUMMARY            	transesterification. Transesterification 1 ml of methanol and 50 μl of
SP:SAMPLEPREP_SUMMARY            	concentrated hydrochloric acid (35%, w/w) were added to the sample. The solution
SP:SAMPLEPREP_SUMMARY            	was overlaid with nitrogen and the tube was tightly closed. After vortexing, the
SP:SAMPLEPREP_SUMMARY            	tube was heated at 100°C for 1.5 h. Once cooled to room temperature, 1 ml of
SP:SAMPLEPREP_SUMMARY            	hexane and 1 ml of water were added for FAMEs extraction. The tube was vortexed
SP:SAMPLEPREP_SUMMARY            	and after phase separation, 1 μl the hexane phase was injected for GC-MS
SP:SAMPLEPREP_SUMMARY            	analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890B
CH:COLUMN_NAME                   	Agilent DB-23 (60m × 0.25mm, 0.15um)
CH:SOLVENT_A                     	N/A
CH:SOLVENT_B                     	N/A
CH:FLOW_GRADIENT                 	N/A
CH:FLOW_RATE                     	N/A
CH:COLUMN_TEMPERATURE            	N/A
CH:METHODS_FILENAME              	targeted_protocol.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	targeted_protocol.pdf
#MS
MS:INSTRUMENT_NAME               	Agilent 7010
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	GC/MS chromatogram was acquired in SCAN and SIM mode in an Agilent 7890B GC -
MS:MS_COMMENTS                   	Agilent 7010 Triple Quadrapole Mass Spectrometer system. The sample was
MS:MS_COMMENTS                   	separated through an Agilent DB-23 capillary column (60 m × 0.25 mm ID, 0.15
MS:MS_COMMENTS                   	μm film thickness) under constant pressure of helium at 33.4 psi. The GC oven
MS:MS_COMMENTS                   	program started at 50°C (hold time 1 min) and was increased to 175°C at a ramp
MS:MS_COMMENTS                   	rate of 25°C/min. The temperature was then raised to 190°C (hold time 5 min)
MS:MS_COMMENTS                   	at a ramp rate of 3.5°C/min. Finally the temperature was raised to 220°C (hold
MS:MS_COMMENTS                   	time 4 min) at a ramp rate of 2°C/min. Inlet temperature and transfer line
MS:MS_COMMENTS                   	temperature were 250°C and 280°C respectively. Characteristic fragment ions
MS:MS_COMMENTS                   	(m/z 55, 67, 69, 74, 79, 81, 83, 87, 91, 93, 95, 96, 97, 115, 127, 143) were
MS:MS_COMMENTS                   	monitored in SIM mode throughout the run. Mass spectra from m/z 50-350 were
MS:MS_COMMENTS                   	acquired in SCAN mode. Data analysis was performed using the Agilent MassHunter
MS:MS_COMMENTS                   	Workstation Quantitative Analysis Software. Linear calibration curves for each
MS:MS_COMMENTS                   	analyte were generated by plotting peak area ratio of external/internal standard
MS:MS_COMMENTS                   	against standard concentration at different concentration level. Analytes were
MS:MS_COMMENTS                   	confirmed by comparing the ratio of characteristic fragment ions in the sample
MS:MS_COMMENTS                   	and standard.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/g
MS_METABOLITE_DATA_START
Samples	WT1	WT2	WT3	CG1	CG2	CG3
Factors	Genotype:Wild-type	Genotype:Wild-type	Genotype:Wild-type	Genotype:Cgref1-knockout	Genotype:Cgref1-knockout	Genotype:Cgref1-knockout
Butyric Acid	0.00	0.00	0.00	0.00	0.00	0.00
Caproic Acid	3.07	0.00	0.00	0.00	0.00	0.00
Caprylic Acid	8.48	0.00	0.00	0.00	0.00	0.00
Capric Acid	8.01	0.00	0.00	3.49	0.00	3.50
Undecanoic Acid	0.00	0.00	0.00	0.00	0.00	0.00
Lauric Acid	36.08	0.00	0.00	11.65	0.00	18.99
Tridecanoic Acid	0.99	0.00	0.00	0.00	0.00	1.45
Myristic Acid	116.02	134.19	102.16	110.42	61.22	224.10
Myristoleic Acid	5.92	5.50	4.51	3.04	1.61	12.11
Pentadecanoic Acid	48.39	53.39	39.13	53.09	41.67	88.10
cis-10-Pentadecenoic Acid	0.00	0.00	0.00	0.00	0.00	0.00
Palmitic Acid	4624.96	5261.28	5030.93	5212.14	4136.63	5065.24
Palmitoleic Acid	1342.91	1571.11	1266.01	890.94	479.89	1665.68
Heptadecanoic Acid	136.17	150.63	112.84	167.23	154.09	247.58
cis-10-Heptadecenoic Acid	0.00	0.00	0.00	0.00	0.00	0.00
Stearic Acid	3035.67	3906.11	3532.51	4022.06	3460.67	3497.52
Elaidic Acid	0.00	0.00	0.00	0.00	0.00	0.00
Oleic Acid	3731.43	4133.67	3885.79	3684.61	2609.93	4208.96
Linolelaidic Acid	0.00	0.00	0.00	0.00	0.00	0.00
Linoleic Acid	10080.84	11204.31	10312.39	11877.94	9004.47	12278.38
γ-Linolenic Acid	207.35	264.29	168.28	406.85	295.54	579.78
α-Linolenic Acid	1104.89	1675.42	1060.14	1683.82	706.39	3334.66
Arachidic Acid	50.15	119.30	89.79	129.55	124.08	55.19
cis-11- Eicosenoic Acid	131.95	139.22	131.24	118.80	92.92	168.43
cis-11,14- Eicosadienoic Acid	216.11	166.76	174.04	156.90	148.93	305.00
Henicosanoic Acid	0.00	0.00	0.00	0.00	0.00	0.00
cis-8,11,14-Eicosatrienoic Acid	1635.53	2081.75	1900.69	1055.79	967.36	1816.46
Arachidonic Acid	20824.09	23486.92	22006.89	22561.23	20661.06	22992.47
cis-11,14,17-Eicosatrienoic Acid	33.55	35.40	33.62	34.45	28.52	43.99
cis-5,8,11,14,17-Eicosapentaenoic Acid	2667.76	4895.54	2674.58	4065.88	2462.81	4870.97
Behenic Acid	41.98	115.15	108.92	134.18	156.68	43.61
Erucic Acid	15.31	14.51	13.29	13.39	10.67	10.21
cis-13,16-Docosadienoic Acid	5.99	5.88	6.40	6.34	5.73	6.45
Tricosanoic Acid	13.68	14.79	14.08	17.74	17.59	18.21
Lignoceric Acid	38.27	58.71	53.94	75.82	71.35	44.27
cis-4,7,10,13,16,19-Docosahexaenoic Acid	43586.14	54490.34	43517.18	53720.96	45320.63	52233.35
Nervonic Acid	61.21	52.39	60.96	56.05	53.13	76.62
Hexacosanoic Acid	0.00	0.00	0.00	0.00	0.00	0.00
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Butyric Acid
Caproic Acid
Caprylic Acid
Capric Acid
Undecanoic Acid
Lauric Acid
Tridecanoic Acid
Myristic Acid
Myristoleic Acid
Pentadecanoic Acid
cis-10-Pentadecenoic Acid
Palmitic Acid
Palmitoleic Acid
Heptadecanoic Acid
cis-10-Heptadecenoic Acid
Stearic Acid
Elaidic Acid
Oleic Acid
Linolelaidic Acid
Linoleic Acid
γ-Linolenic Acid
α-Linolenic Acid
Arachidic Acid
cis-11- Eicosenoic Acid
cis-11,14- Eicosadienoic Acid
Henicosanoic Acid
cis-8,11,14-Eicosatrienoic Acid
Arachidonic Acid
cis-11,14,17-Eicosatrienoic Acid
cis-5,8,11,14,17-Eicosapentaenoic Acid
Behenic Acid
Erucic Acid
cis-13,16-Docosadienoic Acid
Tricosanoic Acid
Lignoceric Acid
cis-4,7,10,13,16,19-Docosahexaenoic Acid
Nervonic Acid
Hexacosanoic Acid
METABOLITES_END
#END