#METABOLOMICS WORKBENCH ZJ309_20231112_222225 DATATRACK_ID:4456 STUDY_ID:ST002981 ANALYSIS_ID:AN004899 PROJECT_ID:PR001857
VERSION             	1
CREATED_ON             	November 16, 2023, 12:29 am
#PROJECT
PR:PROJECT_TITLE                 	Developmental Neurotoxicity of Deltamethrin Exposure on Hypothalamic
PR:PROJECT_TITLE                 	Neurogenesis in Embryonic Zebrafish
PR:PROJECT_SUMMARY               	In this study, to investigate DM effects at different stages of early life,
PR:PROJECT_SUMMARY               	zebrafish embryos were exposed to DM just before (10-16 hpf), at the onset of
PR:PROJECT_SUMMARY               	(16-24 hpf), at the peak of (24-36 hpf) hypothalamic neurogenesis and across
PR:PROJECT_SUMMARY               	10-120 hpf with different dosage levels (0, 1, 100, and 250 nM).
PR:INSTITUTE                     	College of Marine Food and Biological Engineering, Jimei University
PR:LAST_NAME                     	Gao
PR:FIRST_NAME                    	Longhua
PR:ADDRESS                       	No. 185 Yinjiang Road, Jimei District, Xiamen City, Fujian Province, China
PR:EMAIL                         	1932076629@qq.com
PR:PHONE                         	18718180398
#STUDY
ST:STUDY_TITLE                   	Developmental Neurotoxicity of Deltamethrin Exposure on Hypothalamic
ST:STUDY_TITLE                   	Neurogenesis in Embryonic Zebrafish
ST:STUDY_SUMMARY                 	In this study, to investigate DM effects at different stages of early life,
ST:STUDY_SUMMARY                 	zebrafish embryos were exposed to DM just before (10-16 hpf), at the onset of
ST:STUDY_SUMMARY                 	(16-24 hpf), at the peak of (24-36 hpf) hypothalamic neurogenesis and across
ST:STUDY_SUMMARY                 	10-120 hpf with different dosage levels (0, 1, 100, and 250 nM).
ST:INSTITUTE                     	College of Marine Food and Biological Engineering, Jimei University
ST:LAST_NAME                     	Gao
ST:FIRST_NAME                    	Longhua
ST:ADDRESS                       	No. 185 Yinjiang Road, Jimei District, Xiamen City, Fujian Province, China
ST:EMAIL                         	1932076629@qq.com
ST:PHONE                         	18718180398
#SUBJECT
SU:SUBJECT_TYPE                  	Fish
SU:SUBJECT_SPECIES               	Danio rerio
SU:TAXONOMY_ID                   	7955
#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           	0_1	0_1	Treatment:Control	Model=Positive/Negitive; RAW_FILE_NAME=0_1.RAW
SUBJECT_SAMPLE_FACTORS           	0_2	0_2	Treatment:Control	Model=Positive/Negitive; RAW_FILE_NAME=0_2.RAW
SUBJECT_SAMPLE_FACTORS           	0_3	0_3	Treatment:Control	Model=Positive/Negitive; RAW_FILE_NAME=0_3.RAW
SUBJECT_SAMPLE_FACTORS           	0_4	0_4	Treatment:Control	Model=Positive/Negitive; RAW_FILE_NAME=0_4.RAW
SUBJECT_SAMPLE_FACTORS           	0_5	0_5	Treatment:Control	Model=Positive/Negitive; RAW_FILE_NAME=0_5.RAW
SUBJECT_SAMPLE_FACTORS           	0_6	0_6	Treatment:Control	Model=Positive/Negitive; RAW_FILE_NAME=0_6.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-16_1	1n-10-16_1	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-16_1.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-16_2	1n-10-16_2	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-16_2.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-16_3	1n-10-16_3	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-16_3.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-16_4	1n-10-16_4	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-16_4.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-16_5	1n-10-16_5	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-16_5.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-16_6	1n-10-16_6	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-16_6.RAW
SUBJECT_SAMPLE_FACTORS           	1n-16-24_1	1n-16-24_1	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-16-24_1.RAW
SUBJECT_SAMPLE_FACTORS           	1n-16-24_2	1n-16-24_2	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-16-24_2.RAW
SUBJECT_SAMPLE_FACTORS           	1n-16-24_3	1n-16-24_3	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-16-24_3.RAW
SUBJECT_SAMPLE_FACTORS           	1n-16-24_4	1n-16-24_4	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-16-24_4.RAW
SUBJECT_SAMPLE_FACTORS           	1n-16-24_5	1n-16-24_5	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-16-24_5.RAW
SUBJECT_SAMPLE_FACTORS           	1n-16-24_6	1n-16-24_6	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-16-24_6.RAW
SUBJECT_SAMPLE_FACTORS           	1n-24-36_1	1n-24-36_1	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-24-36_1.RAW
SUBJECT_SAMPLE_FACTORS           	1n-24-36_2	1n-24-36_2	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-24-36_2.RAW
SUBJECT_SAMPLE_FACTORS           	1n-24-36_3	1n-24-36_3	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-24-36_3.RAW
SUBJECT_SAMPLE_FACTORS           	1n-24-36_4	1n-24-36_4	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-24-36_4.RAW
SUBJECT_SAMPLE_FACTORS           	1n-24-36_5	1n-24-36_5	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-24-36_5.RAW
SUBJECT_SAMPLE_FACTORS           	1n-24-36_6	1n-24-36_6	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-24-36_6.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-5d_1	1n-10-5d_1	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-5d_1.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-5d_2	1n-10-5d_2	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-5d_2.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-5d_3	1n-10-5d_3	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-5d_3.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-5d_4	1n-10-5d_4	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-5d_4.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-5d_5	1n-10-5d_5	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-5d_5.RAW
SUBJECT_SAMPLE_FACTORS           	1n-10-5d_6	1n-10-5d_6	Treatment:1nM	Model=Positive/Negitive; RAW_FILE_NAME=1n-10-5d_6.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-16_1	100n-10-16_1	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-16_1.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-16_2	100n-10-16_2	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-16_2.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-16_3	100n-10-16_3	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-16_3.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-16_4	100n-10-16_4	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-16_4.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-16_5	100n-10-16_5	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-16_5.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-16_6	100n-10-16_6	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-16_6.RAW
SUBJECT_SAMPLE_FACTORS           	100n-16-24_1	100n-16-24_1	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-16-24_1.RAW
SUBJECT_SAMPLE_FACTORS           	100n-16-24_2	100n-16-24_2	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-16-24_2.RAW
SUBJECT_SAMPLE_FACTORS           	100n-16-24_3	100n-16-24_3	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-16-24_3.RAW
SUBJECT_SAMPLE_FACTORS           	100n-16-24_4	100n-16-24_4	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-16-24_4.RAW
SUBJECT_SAMPLE_FACTORS           	100n-16-24_5	100n-16-24_5	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-16-24_5.RAW
SUBJECT_SAMPLE_FACTORS           	100n-16-24_6	100n-16-24_6	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-16-24_6.RAW
SUBJECT_SAMPLE_FACTORS           	100n-24-36_1	100n-24-36_1	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-24-36_1.RAW
SUBJECT_SAMPLE_FACTORS           	100n-24-36_2	100n-24-36_2	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-24-36_2.RAW
SUBJECT_SAMPLE_FACTORS           	100n-24-36_3	100n-24-36_3	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-24-36_3.RAW
SUBJECT_SAMPLE_FACTORS           	100n-24-36_4	100n-24-36_4	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-24-36_4.RAW
SUBJECT_SAMPLE_FACTORS           	100n-24-36_5	100n-24-36_5	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-24-36_5.RAW
SUBJECT_SAMPLE_FACTORS           	100n-24-36_6	100n-24-36_6	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-24-36_6.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-5d_1	100n-10-5d_1	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-5d_1.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-5d_2	100n-10-5d_2	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-5d_2.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-5d_3	100n-10-5d_3	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-5d_3.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-5d_4	100n-10-5d_4	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-5d_4.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-5d_5	100n-10-5d_5	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-5d_5.RAW
SUBJECT_SAMPLE_FACTORS           	100n-10-5d_6	100n-10-5d_6	Treatment:100nM	Model=Positive/Negitive; RAW_FILE_NAME=100n-10-5d_6.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-16_1	250n-10-16_1	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-16_1.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-16_2	250n-10-16_2	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-16_2.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-16_3	250n-10-16_3	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-16_3.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-16_4	250n-10-16_4	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-16_4.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-16_5	250n-10-16_5	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-16_5.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-16_6	250n-10-16_6	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-16_6.RAW
SUBJECT_SAMPLE_FACTORS           	250n-16-24_1	250n-16-24_1	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-16-24_1.RAW
SUBJECT_SAMPLE_FACTORS           	250n-16-24_2	250n-16-24_2	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-16-24_2.RAW
SUBJECT_SAMPLE_FACTORS           	250n-16-24_3	250n-16-24_3	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-16-24_3.RAW
SUBJECT_SAMPLE_FACTORS           	250n-16-24_4	250n-16-24_4	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-16-24_4.RAW
SUBJECT_SAMPLE_FACTORS           	250n-16-24_5	250n-16-24_5	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-16-24_5.RAW
SUBJECT_SAMPLE_FACTORS           	250n-16-24_6	250n-16-24_6	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-16-24_6.RAW
SUBJECT_SAMPLE_FACTORS           	250n-24-36_1	250n-24-36_1	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-24-36_1.RAW
SUBJECT_SAMPLE_FACTORS           	250n-24-36_2	250n-24-36_2	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-24-36_2.RAW
SUBJECT_SAMPLE_FACTORS           	250n-24-36_3	250n-24-36_3	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-24-36_3.RAW
SUBJECT_SAMPLE_FACTORS           	250n-24-36_4	250n-24-36_4	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-24-36_4.RAW
SUBJECT_SAMPLE_FACTORS           	250n-24-36_5	250n-24-36_5	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-24-36_5.RAW
SUBJECT_SAMPLE_FACTORS           	250n-24-36_6	250n-24-36_6	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-24-36_6.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-5d_1	250n-10-5d_1	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-5d_1.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-5d_2	250n-10-5d_2	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-5d_2.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-5d_3	250n-10-5d_3	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-5d_3.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-5d_4	250n-10-5d_4	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-5d_4.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-5d_5	250n-10-5d_5	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-5d_5.RAW
SUBJECT_SAMPLE_FACTORS           	250n-10-5d_6	250n-10-5d_6	Treatment:250nM	Model=Positive/Negitive; RAW_FILE_NAME=250n-10-5d_6.RAW
#COLLECTION
CO:COLLECTION_SUMMARY            	Wild-type zebrafish embryos (AB line) were maintained in fish water (0.2 %
CO:COLLECTION_SUMMARY            	Instant Ocean Salt in deionized water, pH 6.5-8.5, conductivity 450-550 μS.cm-1
CO:COLLECTION_SUMMARY            	and hardness 50-100 mg·L-1 CaCO3) on a 14-h light:10-h dark cycle at 28 °C.
CO:COLLECTION_SUMMARY            	Thirty-three embryos were placed in each well of a 6-well plate (Nest Biotech.,
CO:COLLECTION_SUMMARY            	China) in 3 mL fresh fish water. Zebrafish embryos were exposed to DM from
CO:COLLECTION_SUMMARY            	10-16, 16-24, 24-36 and 10-120 hpf, respectively. DM was washed out after each
CO:COLLECTION_SUMMARY            	restricted time point, and zebrafish were assayed at the larval stage, 120 hpf.
CO:COLLECTION_SUMMARY            	At each exposure stage, zebrafish embryos were given DM dosages of 1, 100, and
CO:COLLECTION_SUMMARY            	250 nM. The control group received an equivalent volume of dimethyl sulfoxide
CO:COLLECTION_SUMMARY            	(DMSO). In each group, 3 wells of zebrafish were utilized to evaluate
CO:COLLECTION_SUMMARY            	developmental toxicity, locomotor behavior and apoptotic cells in the central
CO:COLLECTION_SUMMARY            	nervous system, while 6 wells of zebrafish were created as separate biological
CO:COLLECTION_SUMMARY            	replicates for subsequent lipidomics analysis and kept immediately at -80 °C.
CO:SAMPLE_TYPE                   	Zebrafish
#TREATMENT
TR:TREATMENT_SUMMARY             	Wild-type zebrafish embryos (AB line) were maintained in fish water (0.2 %
TR:TREATMENT_SUMMARY             	Instant Ocean Salt in deionized water, pH 6.5-8.5, conductivity 450-550 μS.cm-1
TR:TREATMENT_SUMMARY             	and hardness 50-100 mg·L-1 CaCO3) on a 14-h light:10-h dark cycle at 28 °C.
TR:TREATMENT_SUMMARY             	Thirty-three embryos were placed in each well of a 6-well plate (Nest Biotech.,
TR:TREATMENT_SUMMARY             	China) in 3 mL fresh fish water. Zebrafish embryos were exposed to DM from
TR:TREATMENT_SUMMARY             	10-16, 16-24, 24-36 and 10-120 hpf, respectively. DM was washed out after each
TR:TREATMENT_SUMMARY             	restricted time point, and zebrafish were assayed at the larval stage, 120 hpf.
TR:TREATMENT_SUMMARY             	At each exposure stage, zebrafish embryos were given DM dosages of 1, 100, and
TR:TREATMENT_SUMMARY             	250 nM. The control group received an equivalent volume of dimethyl sulfoxide
TR:TREATMENT_SUMMARY             	(DMSO). In each group, 3 wells of zebrafish were utilized to evaluate
TR:TREATMENT_SUMMARY             	developmental toxicity, locomotor behavior and apoptotic cells in the central
TR:TREATMENT_SUMMARY             	nervous system, while 6 wells of zebrafish were created as separate biological
TR:TREATMENT_SUMMARY             	replicates for subsequent lipidomics analysis and kept immediately at -80 °C.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Each replicate of zebrafish (1 well, ~10 mg) was accurately weighted and
SP:SAMPLEPREP_SUMMARY            	transferred to an Eppendorf tube. Then, each sample was spiked with 400 μL of
SP:SAMPLEPREP_SUMMARY            	precooled methanol containing lipid standards (i.e., 1.5 μg/mL of
SP:SAMPLEPREP_SUMMARY            	phosphatidylcholine (PC) (19:0/19:0), 1.5 μg/mL of phosphatidylethanolamine
SP:SAMPLEPREP_SUMMARY            	(PE) (15:0/15:0), 1.5 μg/mL of lysophospatidylcholine (LPC) (19:0), 1.5 μg/mL
SP:SAMPLEPREP_SUMMARY            	of sphingomyelin (SM) (d18:1/12:0), 1.2 μg/mL of triacylglycerol (TG)
SP:SAMPLEPREP_SUMMARY            	(15:0/15:0/15:0), 1.2 μg/mL of ceramide (Cer) (d18:1/17:0), 1 μg/mL of
SP:SAMPLEPREP_SUMMARY            	palmitic acid (fatty acid (FA) (16:0))-d3, and 1 μg/mL of stearic acid
SP:SAMPLEPREP_SUMMARY            	(FA(18:0))-d3), followed by tissue homogenization using the bead-based
SP:SAMPLEPREP_SUMMARY            	homogenizer (Tissuelyser-24, Shanghai jingxin industrial development co., ltd,
SP:SAMPLEPREP_SUMMARY            	China) for 1 min at 65 Hz. Next, 1 mL of tert-butyl methyl ether (MTBE) was
SP:SAMPLEPREP_SUMMARY            	added to the tube, and the mixture was thoroughly vortexed (1,000 rpm, 10 ℃,
SP:SAMPLEPREP_SUMMARY            	30 min). Phase separation was induced by adding 400 μL of Milli-Q water and
SP:SAMPLEPREP_SUMMARY            	centrifugation at 15,000 g for 15 min at 6 ℃. The upper hydrophobic phase was
SP:SAMPLEPREP_SUMMARY            	collected and vacuum-dried in in a refrigerated CentriVap concentrator
SP:SAMPLEPREP_SUMMARY            	(Labconco, USA), followed by storage at -80 °C until subsequent analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	Acetonitrile/water (6:4, v/v)
CH:SOLVENT_B                     	Isopropanol/acetonitrile (9:1, v/v)
CH:FLOW_GRADIENT                 	First maintain 32% B for 1.5 minutes, then linearly increase from 1.5 to 15.5
CH:FLOW_GRADIENT                 	minutes to 85% B, then linearly increase to 97% B at 0.1 minutes, maintain for
CH:FLOW_GRADIENT                 	18 minutes, and then rapidly decrease to 32% B at 0.1 minutes, equilibrate until
CH:FLOW_GRADIENT                 	the next injection
CH:FLOW_RATE                     	0.4 mL/min
CH:COLUMN_TEMPERATURE            	55
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 120
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Xcalibular
MS:MS_RESULTS_FILE               	ST002981_AN004899_Results.txt	UNITS:Peak area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END