#METABOLOMICS WORKBENCH zj1234_20250215_175626 DATATRACK_ID:5630 STUDY_ID:ST003756 ANALYSIS_ID:AN006167 PROJECT_ID:PR002340 VERSION 1 CREATED_ON February 28, 2025, 10:04 am #PROJECT PR:PROJECT_TITLE Ultrahigh-performance liquid chromatography–high-resolution mass PR:PROJECT_TITLE spectrometry-based tissue lipidomics study of thymoma and thymic hyperplasia PR:PROJECT_TYPE non-targeted lipidomics analysis PR:PROJECT_SUMMARY Thymoma is a rare malignant thymic epithelial tumor (TET) with an incidence of PR:PROJECT_SUMMARY about 2 to 4 per million. In this study, we performed nontargeted lipidomic PR:PROJECT_SUMMARY profiling study of tissue samples from 39 patients with thymoma and thymic PR:PROJECT_SUMMARY hyperplasia using UPLC-HRMS. OPLS-DA classification models enabled PR:PROJECT_SUMMARY discrimination of tumor from adjacent noncancerous tissue (ANT) and distant PR:PROJECT_SUMMARY noncancerous tissue (DNT) samples in thymoma with good accuracy, sensitivity, PR:PROJECT_SUMMARY and specificity using 5 discriminant compounds. The discriminant feature panels PR:PROJECT_SUMMARY were verified by external validation sets, revealing characteristic lipid PR:PROJECT_SUMMARY signatures associated with thymoma and showing prospects for entering the next PR:PROJECT_SUMMARY evaluation stage of biomarker discovery for thymoma detection, giving hints to PR:PROJECT_SUMMARY potential treatment targets for the disease. PR:INSTITUTE Ocean University of China PR:DEPARTMENT Department of Medicine and Pharmacy PR:LABORATORY Analytical chemistry PR:LAST_NAME Zhang PR:FIRST_NAME Jie PR:ADDRESS No. 5 Yushan Road, Qingdao, Shandong, China PR:EMAIL zhangjieqau@163.com PR:PHONE 17806277823 PR:FUNDING_SOURCE ocean university of China #STUDY ST:STUDY_TITLE Ultrahigh-performance liquid chromatography–high-resolution mass ST:STUDY_TITLE spectrometry-based tissue lipidomics study of thymoma and thymic hyperplasia ST:STUDY_SUMMARY UPLC-HRMS analysis was performed on thymoma and thymic hyperplasia patients. ST:STUDY_SUMMARY OPLSDA classfication was performed on tumor vs. ANT and DNT samples. Panels of ST:STUDY_SUMMARY discriminant compounds were identified. The compounds identified in discovery ST:STUDY_SUMMARY set samples for each binary classification were confirmed by using a set of ST:STUDY_SUMMARY validation samples, which were run separately. Additionally, paired analysis ST:STUDY_SUMMARY showed the abundance of discriminant compounds has significant altered in tumor ST:STUDY_SUMMARY tissues compared to corresponding DNT and ANT samples, reflecting the lipid ST:STUDY_SUMMARY characteristics related to tumor in situ and cancer cell signaling. ST:INSTITUTE Ocean University of China ST:DEPARTMENT Department of Medicine and Pharmacy ST:LABORATORY Analytical chemistry ST:LAST_NAME Zhang ST:FIRST_NAME Jie ST:ADDRESS No. 5 Yushan Road, Qingdao, Shandong, China ST:EMAIL zhangjieqau@163.com ST:PHONE 17806277823 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and 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 SA205001 34nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=34-2-60sample SUBJECT_SAMPLE_FACTORS SA205002 39nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=39-2-60sample SUBJECT_SAMPLE_FACTORS SA205003 44nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=44-2-60sample SUBJECT_SAMPLE_FACTORS SA205004 49nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=49-2-60sample SUBJECT_SAMPLE_FACTORS SA205005 55nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=55-2-60sample SUBJECT_SAMPLE_FACTORS SA205006 37nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=37-2 SUBJECT_SAMPLE_FACTORS SA205007 33nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=33-2 SUBJECT_SAMPLE_FACTORS SA205008 84nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=84-2 SUBJECT_SAMPLE_FACTORS SA205009 114nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=114-2 SUBJECT_SAMPLE_FACTORS SA205010 22nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=22-2-60sample SUBJECT_SAMPLE_FACTORS SA205011 35nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=35-2 SUBJECT_SAMPLE_FACTORS SA205012 40nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=40-2-60sample SUBJECT_SAMPLE_FACTORS SA205013 48nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=48-2-60sample SUBJECT_SAMPLE_FACTORS SA205014 51nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=51-2-60sample SUBJECT_SAMPLE_FACTORS SA205015 56nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=56-2-60sample SUBJECT_SAMPLE_FACTORS SA205016 140nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=140-2 SUBJECT_SAMPLE_FACTORS SA205017 7nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=7-2 SUBJECT_SAMPLE_FACTORS SA205018 11nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=11-2 SUBJECT_SAMPLE_FACTORS SA205019 34nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=34-2 SUBJECT_SAMPLE_FACTORS SA205020 36nodu_tumor Tissue type:nodu_tumor | Sample source:thymic hyperplasia RAW_FILE_NAME=36-2-60sample SUBJECT_SAMPLE_FACTORS SA205021 2301nodu_tumor Tissue type:nodu_tumor | Sample source:thymic hyperplasia RAW_FILE_NAME=23-02 SUBJECT_SAMPLE_FACTORS SA205022 8nodu_tumor Tissue type:nodu_tumor | Sample source:thymic hyperplasia RAW_FILE_NAME=8-2 SUBJECT_SAMPLE_FACTORS SA205023 35nodu_tumor Tissue type:nodu_tumor | Sample source:thymic hyperplasia RAW_FILE_NAME=35-2-60sample SUBJECT_SAMPLE_FACTORS SA205024 1thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=1-2-60sample SUBJECT_SAMPLE_FACTORS SA205025 4thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=4-2-60sample SUBJECT_SAMPLE_FACTORS SA205026 7thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=7-2-60sample SUBJECT_SAMPLE_FACTORS SA205027 10thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=10-2-60sample SUBJECT_SAMPLE_FACTORS SA205028 13thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=13-2-60sample SUBJECT_SAMPLE_FACTORS SA205029 15thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=15-2-60sample SUBJECT_SAMPLE_FACTORS SA205030 18thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=18-2-60sample SUBJECT_SAMPLE_FACTORS SA205031 23thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=23-2-60sample SUBJECT_SAMPLE_FACTORS SA205032 26thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=26-2-60sample SUBJECT_SAMPLE_FACTORS SA205033 31thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=31-2-60sample SUBJECT_SAMPLE_FACTORS SA205034 37thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=37-2-60sample SUBJECT_SAMPLE_FACTORS SA205035 53thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=53-2-60sample SUBJECT_SAMPLE_FACTORS SA205036 59thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=59-2-60sample SUBJECT_SAMPLE_FACTORS SA205037 64thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=64-2 SUBJECT_SAMPLE_FACTORS SA205038 3thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=3-2 SUBJECT_SAMPLE_FACTORS SA205039 15_02thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=15-2 SUBJECT_SAMPLE_FACTORS SA205040 21thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=21-2-60sample SUBJECT_SAMPLE_FACTORS SA205041 23_02thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=23-2 SUBJECT_SAMPLE_FACTORS SA205042 28thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=28-2 SUBJECT_SAMPLE_FACTORS SA205043 2thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=2-2-60sample SUBJECT_SAMPLE_FACTORS SA205044 8thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=8-2-60sample SUBJECT_SAMPLE_FACTORS SA205045 16thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=16-2-60sample SUBJECT_SAMPLE_FACTORS SA205046 19thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=19-2-60sample SUBJECT_SAMPLE_FACTORS SA205047 25thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=25-2-60sample SUBJECT_SAMPLE_FACTORS SA205048 30thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=30-2-60sample SUBJECT_SAMPLE_FACTORS SA205049 33thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=33-2-60sample SUBJECT_SAMPLE_FACTORS SA205050 41thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=41-2-60sample SUBJECT_SAMPLE_FACTORS SA205051 57thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=57-2-60sample SUBJECT_SAMPLE_FACTORS SA205052 103thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=103-2 SUBJECT_SAMPLE_FACTORS SA205053 4thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=4-2 SUBJECT_SAMPLE_FACTORS SA205054 16_02thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=16-2 SUBJECT_SAMPLE_FACTORS SA205055 20thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=20-2 SUBJECT_SAMPLE_FACTORS SA205056 3thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=3-2-60sample SUBJECT_SAMPLE_FACTORS SA205057 5thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=5-2-60sample SUBJECT_SAMPLE_FACTORS SA205058 14thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=14-2-60sample SUBJECT_SAMPLE_FACTORS SA205059 17thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=17-2-60sample SUBJECT_SAMPLE_FACTORS SA205060 20thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=20-2-60sample SUBJECT_SAMPLE_FACTORS SA205061 24thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=24-2-60sample SUBJECT_SAMPLE_FACTORS SA205062 27thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=27-2-60sample SUBJECT_SAMPLE_FACTORS SA205063 29thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=29-2-60sample SUBJECT_SAMPLE_FACTORS SA205064 32thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=32-2-60sample SUBJECT_SAMPLE_FACTORS SA205065 38thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=38-2-60sample SUBJECT_SAMPLE_FACTORS SA205066 42thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=42-2-60sample SUBJECT_SAMPLE_FACTORS SA205067 43thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=43-2-60sample SUBJECT_SAMPLE_FACTORS SA205068 46thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=46-2-60sample SUBJECT_SAMPLE_FACTORS SA205069 54thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=54-2-60sample SUBJECT_SAMPLE_FACTORS SA205070 58thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=58-2-60sample SUBJECT_SAMPLE_FACTORS SA205071 60thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=60-2-60sample SUBJECT_SAMPLE_FACTORS SA205072 5_02thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=5-2 SUBJECT_SAMPLE_FACTORS SA205073 17_02thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=17-2 SUBJECT_SAMPLE_FACTORS SA205074 22thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=22-2 SUBJECT_SAMPLE_FACTORS SA205075 24_02thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=24-2 SUBJECT_SAMPLE_FACTORS SA205076 44thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=44-2 SUBJECT_SAMPLE_FACTORS SA205077 11str_thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=11-2-60sample SUBJECT_SAMPLE_FACTORS SA205078 163str_thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=163-2 SUBJECT_SAMPLE_FACTORS SA205079 56str_nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=56-2 SUBJECT_SAMPLE_FACTORS SA205080 76str_nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=76-2 SUBJECT_SAMPLE_FACTORS SA205081 86str_nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=86-2 SUBJECT_SAMPLE_FACTORS SA205082 94str_nodu_norm Tissue type:nodu_norm | Sample source:thymic hyperplasia RAW_FILE_NAME=94-2 SUBJECT_SAMPLE_FACTORS SA205083 96str_nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=96-2 SUBJECT_SAMPLE_FACTORS SA205084 98str_thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=98-2 SUBJECT_SAMPLE_FACTORS SA205085 106str_thymo_norm Tissue type:thymo_norm | Sample source:thymoma RAW_FILE_NAME=106-2 SUBJECT_SAMPLE_FACTORS SA205086 108str_thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=108-2 SUBJECT_SAMPLE_FACTORS SA205087 109str_thymo_side Tissue type:thymo_side | Sample source:thymoma RAW_FILE_NAME=109-2 SUBJECT_SAMPLE_FACTORS SA205088 110str_thymo_tumor Tissue type:thymo_tumor | Sample source:thymoma RAW_FILE_NAME=110-2 SUBJECT_SAMPLE_FACTORS SA205089 116str_nodu_side Tissue type:nodu_side | Sample source:thymic hyperplasia RAW_FILE_NAME=116-2 #COLLECTION CO:COLLECTION_SUMMARY The patient tissue specimens from 39 patients including the two most prevalent CO:COLLECTION_SUMMARY histological subtypes thymoma ("thymo") and thymic hyperplasia ("nodu") were CO:COLLECTION_SUMMARY obtained from Beijing Hospital. Primary tumor tissues, paired adjacent CO:COLLECTION_SUMMARY non-cancerous tissues (ANT or "side") (within 2 cm apart from tumor edge) and CO:COLLECTION_SUMMARY distant normal tissues (DNT or "norm")) ( > 2 cm apart from tumor edge) were CO:COLLECTION_SUMMARY surgically resected and frozen at −80 °C until metabolite extraction. The CO:COLLECTION_SUMMARY study was approved by the Research Ethics Committee of Beijing Hospital CO:COLLECTION_SUMMARY (2019BJYYEC-200-02) and also approved by the Ocean University of China CO:COLLECTION_SUMMARY (OUC-HM-2022-002). In the tissue type column of the study design, the CO:COLLECTION_SUMMARY abbreviated form "nodu" stands for thymic hyperplasia, "norm" stands for DNT, CO:COLLECTION_SUMMARY and "side" stands for ANT. CO:SAMPLE_TYPE Thymus CO:COLLECTION_METHOD Surgical resect CO:COLLECTION_LOCATION Beijing Hospital CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No. Only cancer and noncancerous tissues. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen tissue samples of approximately 10-100 mg were thawed on ice, and 1 mL of SP:SAMPLEPREP_SUMMARY precooled 80% methanol was added to 100 mg tissue sample.The sample was SP:SAMPLEPREP_SUMMARY homogenized (60 Hz, 90 s) in a tissue homogenizer (Jingxin, JX-24, Shanghai, SP:SAMPLEPREP_SUMMARY China). After vortexing for 1 min, the mixture was incubated at -80 °C for 4 SP:SAMPLEPREP_SUMMARY hours, followed by centrifuging at 14,000 × g for 10 min at 4 °C. The SP:SAMPLEPREP_SUMMARY supernatant was transferred to a new tube. To the rest of the sample, 400 μL SP:SAMPLEPREP_SUMMARY dichloromethane/ methanol (3:1, v/v) was added for lipid extraction. The sample SP:SAMPLEPREP_SUMMARY mixture was then vortexed twice, each time for 30 s, followed by incubation at SP:SAMPLEPREP_SUMMARY -80 °C for 30 min. After homogenization (60 Hz, 90 s) and centrifugation of the SP:SAMPLEPREP_SUMMARY sample at 14,000 × g for 10 min at 4 °C, the supernatant was collected and SP:SAMPLEPREP_SUMMARY dried under a speed vacuum concentrator. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Reversed phase chromatography was employed using a Waters ACQUITY UPLC BEH C18 CH:CHROMATOGRAPHY_SUMMARY column (2.1 mm × 50 mm and 1.7 μm particle size; Waters Corporation, Milford, CH:CHROMATOGRAPHY_SUMMARY MA). Mobile phase A consisted of water/acetonitrile (40:60, v/v) with 0.1% CH:CHROMATOGRAPHY_SUMMARY formic acid and 10 mM ammonium formate, and mobile phase B comprised CH:CHROMATOGRAPHY_SUMMARY acetonitrile/2-propanol (10:90, v/v) with 0.1% formic acid and 10 mM ammonium CH:CHROMATOGRAPHY_SUMMARY formate. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um) CH:SOLVENT_A 60% acetonitrile/40% water; 0.1% formic acid; 10 mM ammonium formate CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 0.1% formic acid; 10 mM ammonium formate CH: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 CH:FLOW_GRADIENT 46%-30% A, 12.1-18 min 30%-1% A CH:FLOW_RATE 0.3mL/min CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo LTQ XL MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS capillary temperature 300 °C, capillary voltage 16 V, tube lens 35 V, spray MS:MS_COMMENTS voltage 4.0 kV for positive ion mode, auxiliary gas, sheath gas and sweep gas MS:MS_COMMENTS flow rate 10, 40, and 0 arbitrary units. Progenesis QI version 2.4 was used for MS:MS_COMMENTS raw data processing. FORTRAN based home-built secondary data processing was MS:MS_COMMENTS applied for artefact removal, blank correction, QC -based signal correction and MS:MS_COMMENTS normalization, etc. MS:MS_RESULTS_FILE ST003756_AN006167_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #END