{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002996","ANALYSIS_ID":"AN004921","VERSION":"1","CREATED_ON":"December 4, 2023, 4:22 am"},

"PROJECT":{"PROJECT_TITLE":"Tissue Lipidomic Profiling for Detection of Non-Small Cell Lung Cancer","PROJECT_TYPE":"non-targeted lipidomics analysis","PROJECT_SUMMARY":"NSCLC is the most prevalent type of lung cancer with high mortality rates. In this study, we performed nontargeted lipidomic profiling study of 230 tissue samples from 79 NSCLC patients with adenocarcinoma (AC) or squamous cell carcinoma (SCC) using UPLC-HRMS. oPLS-DA classification models enabled discrimination of tumor from adjacent noncancerous tissue (ANT) and distant noncancerous tissue (DNT) samples in NSCLC and AC with good accuracies (94.1 and 92.0%), sensitivities (93.8 and 91.1%), and specificities (94.2 and 92.5%) using 7 and 8 discriminant compounds, respectively. The discriminant feature panels were verified by external validation sets, revealing characteristic lipid signatures associated with NSCLC and showing prospects for entering the next evaluation stage of biomarker discovery for NSCLC detection and subtyping.","INSTITUTE":"OUC","DEPARTMENT":"Department of Medicine and Pharmacy","LABORATORY":"Analytical chemistry","LAST_NAME":"Zhang","FIRST_NAME":"Jie","ADDRESS":"No. 5 Yushan Road, Qingdao, Shandong, China","EMAIL":"zhangjieqau@163.com","PHONE":"17806277823","FUNDING_SOURCE":"OUC","PROJECT_COMMENTS":"OUC","PUBLICATIONS":"OUC","CONTRIBUTORS":"OUC"},

"STUDY":{"STUDY_TITLE":"Tissue Lipidomic Profiling for Detection of Non-Small Cell Lung Cancer","STUDY_SUMMARY":"UPLC-HRMS analysis was performed on AC and SCC patients. OPLSDA classfication was performed on tumor vs. ANT and DNT samples. Panels of discriminant features were identified. The biomarkers identified in discovery set samples for each binary classification were confirmed by using a set of validation samples, which were run separately. Additionally, paired analysis showed the abundance of discriminant compounds has significant altered in tumor tissues compared to corresponding DNT and ANT samples, reflecting the lipid characteristics related to tumor in situ and cancer cell signaling.","INSTITUTE":"OUC","DEPARTMENT":"Department of Medicine and Pharmacy","LABORATORY":"Analytical chemistry","LAST_NAME":"Zhang","FIRST_NAME":"Jie","ADDRESS":"No. 5 Yushan Road, Qingdao, Shandong, China","EMAIL":"zhangjieqau@163.com","PHONE":"17806277823"},

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"Additional sample data":{"RAW_FILE_NAME":"175"}
},
{
"Subject ID":"SA204135",
"Sample ID":"178ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"178"}
},
{
"Subject ID":"SA204136",
"Sample ID":"190ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"190"}
},
{
"Subject ID":"SA204137",
"Sample ID":"196ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"196"}
},
{
"Subject ID":"SA204138",
"Sample ID":"202ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"202"}
},
{
"Subject ID":"SA204139",
"Sample ID":"205ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"205"}
},
{
"Subject ID":"SA204140",
"Sample ID":"208ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"208"}
},
{
"Subject ID":"SA204141",
"Sample ID":"217ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"217"}
},
{
"Subject ID":"SA204142",
"Sample ID":"220ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"220"}
},
{
"Subject ID":"SA204143",
"Sample ID":"223ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"223"}
},
{
"Subject ID":"SA204144",
"Sample ID":"229ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"229"}
},
{
"Subject ID":"SA204145",
"Sample ID":"231ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"231"}
},
{
"Subject ID":"SA204146",
"Sample ID":"234ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"234"}
},
{
"Subject ID":"SA204147",
"Sample ID":"237ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"237"}
},
{
"Subject ID":"SA204148",
"Sample ID":"243ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"243"}
},
{
"Subject ID":"SA204149",
"Sample ID":"246ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"246"}
},
{
"Subject ID":"SA204150",
"Sample ID":"249ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"249"}
},
{
"Subject ID":"SA204151",
"Sample ID":"261ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"261"}
},
{
"Subject ID":"SA204152",
"Sample ID":"273ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"273"}
},
{
"Subject ID":"SA204153",
"Sample ID":"276ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"276"}
},
{
"Subject ID":"SA204154",
"Sample ID":"279ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"279"}
},
{
"Subject ID":"SA204155",
"Sample ID":"282ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"282"}
},
{
"Subject ID":"SA204156",
"Sample ID":"285ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"285"}
},
{
"Subject ID":"SA204157",
"Sample ID":"288ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"288"}
},
{
"Subject ID":"SA204158",
"Sample ID":"294ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"294"}
},
{
"Subject ID":"SA204159",
"Sample ID":"300ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"300"}
},
{
"Subject ID":"SA204160",
"Sample ID":"303ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"303"}
},
{
"Subject ID":"SA204161",
"Sample ID":"306ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"306"}
},
{
"Subject ID":"SA204162",
"Sample ID":"309ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"309"}
},
{
"Subject ID":"SA204163",
"Sample ID":"311ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"311"}
},
{
"Subject ID":"SA204164",
"Sample ID":"314ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"314"}
},
{
"Subject ID":"SA204165",
"Sample ID":"332ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"332"}
},
{
"Subject ID":"SA204166",
"Sample ID":"335ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"335"}
},
{
"Subject ID":"SA204167",
"Sample ID":"338ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"338"}
},
{
"Subject ID":"SA204168",
"Sample ID":"344ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"344"}
},
{
"Subject ID":"SA204169",
"Sample ID":"347ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"347"}
},
{
"Subject ID":"SA204170",
"Sample ID":"350ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"350"}
},
{
"Subject ID":"SA204171",
"Sample ID":"358ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"358"}
},
{
"Subject ID":"SA204172",
"Sample ID":"361ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"361"}
},
{
"Subject ID":"SA204173",
"Sample ID":"364ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"364"}
},
{
"Subject ID":"SA204174",
"Sample ID":"367ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"367"}
},
{
"Subject ID":"SA204175",
"Sample ID":"376ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"376"}
},
{
"Subject ID":"SA204176",
"Sample ID":"378ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"378"}
},
{
"Subject ID":"SA204177",
"Sample ID":"381ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"381"}
},
{
"Subject ID":"SA204178",
"Sample ID":"6ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X6-2"}
},
{
"Subject ID":"SA204179",
"Sample ID":"18ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X18-2"}
},
{
"Subject ID":"SA204180",
"Sample ID":"9ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X9-2"}
},
{
"Subject ID":"SA204181",
"Sample ID":"3ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X3-2"}
},
{
"Subject ID":"SA204182",
"Sample ID":"15ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X15-2"}
},
{
"Subject ID":"SA204183",
"Sample ID":"12ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X12-2"}
},
{
"Subject ID":"SA204184",
"Sample ID":"24ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X24-2"}
},
{
"Subject ID":"SA204185",
"Sample ID":"317ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"317"}
},
{
"Subject ID":"SA204186",
"Sample ID":"353ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"353"}
},
{
"Subject ID":"SA204187",
"Sample ID":"356ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"356"}
},
{
"Subject ID":"SA204188",
"Sample ID":"370ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"370"}
},
{
"Subject ID":"SA204189",
"Sample ID":"21ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X21-2"}
},
{
"Subject ID":"SA204190",
"Sample ID":"27ade_tumor",
"Factors":{"Tissue type":"adetumor"},
"Additional sample data":{"RAW_FILE_NAME":"X27-2"}
},
{
"Subject ID":"SA204191",
"Sample ID":"149squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"149"}
},
{
"Subject ID":"SA204192",
"Sample ID":"167squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"167"}
},
{
"Subject ID":"SA204193",
"Sample ID":"185squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"185"}
},
{
"Subject ID":"SA204194",
"Sample ID":"212squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"212"}
},
{
"Subject ID":"SA204195",
"Sample ID":"253squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"253"}
},
{
"Subject ID":"SA204196",
"Sample ID":"256squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"256"}
},
{
"Subject ID":"SA204197",
"Sample ID":"321squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"321"}
},
{
"Subject ID":"SA204198",
"Sample ID":"13squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"L13-2"}
},
{
"Subject ID":"SA204199",
"Sample ID":"4squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"L4-2"}
},
{
"Subject ID":"SA204200",
"Sample ID":"7squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"L7-2"}
},
{
"Subject ID":"SA204201",
"Sample ID":"10squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"L10-2"}
},
{
"Subject ID":"SA204202",
"Sample ID":"1squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"L1-2"}
},
{
"Subject ID":"SA204203",
"Sample ID":"16squ_norm",
"Factors":{"Tissue type":"squnorm"},
"Additional sample data":{"RAW_FILE_NAME":"L16-2"}
},
{
"Subject ID":"SA204204",
"Sample ID":"150squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"150"}
},
{
"Subject ID":"SA204205",
"Sample ID":"168squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"168"}
},
{
"Subject ID":"SA204206",
"Sample ID":"186squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"186"}
},
{
"Subject ID":"SA204207",
"Sample ID":"213squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"213"}
},
{
"Subject ID":"SA204208",
"Sample ID":"254squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"254"}
},
{
"Subject ID":"SA204209",
"Sample ID":"257squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"257"}
},
{
"Subject ID":"SA204210",
"Sample ID":"322squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"322"}
},
{
"Subject ID":"SA204211",
"Sample ID":"11squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"L11-2"}
},
{
"Subject ID":"SA204212",
"Sample ID":"8squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"L8-2"}
},
{
"Subject ID":"SA204213",
"Sample ID":"14squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"L14-2"}
},
{
"Subject ID":"SA204214",
"Sample ID":"17squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"L17-2"}
},
{
"Subject ID":"SA204215",
"Sample ID":"2squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"L2-2"}
},
{
"Subject ID":"SA204216",
"Sample ID":"5squ_side",
"Factors":{"Tissue type":"squside"},
"Additional sample data":{"RAW_FILE_NAME":"L5-2"}
},
{
"Subject ID":"SA204217",
"Sample ID":"151squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"151"}
},
{
"Subject ID":"SA204218",
"Sample ID":"169squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"169"}
},
{
"Subject ID":"SA204219",
"Sample ID":"187squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"187"}
},
{
"Subject ID":"SA204220",
"Sample ID":"214squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"214"}
},
{
"Subject ID":"SA204221",
"Sample ID":"255squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"255"}
},
{
"Subject ID":"SA204222",
"Sample ID":"258squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"258"}
},
{
"Subject ID":"SA204223",
"Sample ID":"323squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"323"}
},
{
"Subject ID":"SA204224",
"Sample ID":"368squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"368"}
},
{
"Subject ID":"SA204225",
"Sample ID":"12squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"L12-2"}
},
{
"Subject ID":"SA204226",
"Sample ID":"18squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"L18-2"}
},
{
"Subject ID":"SA204227",
"Sample ID":"6squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"L6-2"}
},
{
"Subject ID":"SA204228",
"Sample ID":"3squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"L3-2"}
},
{
"Subject ID":"SA204229",
"Sample ID":"9squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"L9-2"}
},
{
"Subject ID":"SA204230",
"Sample ID":"15squ_tumor",
"Factors":{"Tissue type":"squtumor"},
"Additional sample data":{"RAW_FILE_NAME":"L15-2"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The patient tissue specimens from 79 NSCLC patients including the two most prevalent histological subtypes adenocarcinoma (ade) and squamous cell (squ) tumor (65 ade patients with age range 36-84; 14 squ patients with age range 49-78) were obtained from Beijing Hospital. Primary tumor tissues, paired adjacent non-cancerous tissues (ANT) (within 2 cm apart from tumor edge) and distant normal tissues (DNT) ( > 2 cm apart from tumor edge) were surgically resected and frozen at −80 °C until metabolite extraction. The study was approved by the Research Ethics Committee of Beijing Hospital (2019BJYYEC-206-02) and also approved by the Ocean University of China (OUC-HM-2022-002).","SAMPLE_TYPE":"Lung","COLLECTION_METHOD":"Surgical resect","COLLECTION_LOCATION":"Beijing Hospital","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"No. Only cancer and noncancerous tissues."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Frozen tissue samples were thawed on ice. Each tissue sample was cut into small pieces and accurately weighed.To 100 mg tissue sample, 1 mL precooled 80% methanol was added and the sample was homogenized (60 Hz, 90 s) in a tissue homogenizer (Jingxin, JX-24, Shanghai, China). After vortexing for 1 min, the mixture was incubated at -80 °C for 4 hours, followed by centrifuging at 14,000 × g for 10 min at 4 °C. The supernatant was transferred to a new tube. To the rest of the sample, 400 μL dichloromethane/ methanol (3:1, v/v) was added for lipid extraction. The sample mixture was then vortexed twice, each time for 30 s, followed by incubation at -80 °C for 30 min. After homogenization (60 Hz, 90 s) and centrifugation of the sample at 14,000 × g for 10 min at 4 °C, the supernatant was collected and dried under a speed vacuum concentrator."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity","COLUMN_NAME":"Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um)","SOLVENT_A":"acetonitrile/water","SOLVENT_B":"2-propanol/acetonitrile","FLOW_GRADIENT":"0-2 min, 60%-57% A, 2-2.1 min 57%-50% A, 2.1-12 min 50%-46% A, 12-12.1 min 46%-30% A, 12.1-18 min 30%-1% A","FLOW_RATE":"0.3 mL min-1","COLUMN_TEMPERATURE":"50"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo LTQ XL","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"capillary temperature 300 °C, capillary voltage 20 V, tube lens 35 V, spray voltage 4.0 kV for positive ion mode, auxiliary gas, sheath gas and sweep gas flow rate 10, 40, and 0 arbitrary units. Progenesis QI version 2.4 was used for raw data processing. FORTRAN based home-built secondary data processing was applied for artefact removal, blank correction, QC -based signal correction and normalization, etc.","MS_RESULTS_FILE":"ST002996_AN004921_Results.txt UNITS:Peak area Has m/z:Yes Has RT:Yes RT units:Minutes"}

}