General Information
- Experiment ID
- OEX015818
- Experiment Name
- OEX_Zheng-Jiang_2202161911
- Experiment Type
- Metabolomic
- Description
- NIST human urine, plasma and Mouse BV2 cell samples were used to evaluate unknown metabolite annotation in KGMN (MetDNA2).
- Protocol
- LC-MS analysis was performed using a UHPLC system (1290 series; Agilent Technologies, USA) coupled to a quadruple time-of-flight mass spectrometer (TripleTOF 6600, SCIEX). A Waters ACQUITY UPLC BEH Amide column (particle size, 1.7 μm; 100 mm (length) × 2.1 mm (i.d.)) was used for the LC separation and the column temperature was kept at 25 °C. Mobile phase A was 25 mM ammonium hydroxide (NH4OH) and 25 mM ammonium acetate (NH4OAc) in water, and B was ACN for both the positive and negative modes. The flow rate was 0.3 mL/min and the gradient were set as follows: 0–1 min: 95% B, 1–14 min: 95% B to 65% B, 14–16 min: 65% B to 40% B, 16–18 min: 40% B, 18–18.1 min: 40% B to 95% B, and 18.1–23 min: 95% B. The injection volume was 2 μL. The data acquisition was operated using the information-dependent acquisition (IDA) mode. The source parameters were set as follows: ion source gas 1 (GAS1), 60 psi; ion source gas 2 (GAS2), 60 psi; curtain gas (CUR), 30psi; temperature (TEM), 600° C; declustering potential (DP), 60 V, or −60 V in positive or negative modes, respectively; and ion spray voltage floating (ISVF), 5500 or −4000 V in positive or negative modes, respectively. The TOF MS scan parameters were set as follows: mass range, 60–1200 Da; accumulation time, 200 ms; and dynamic background subtract, on. The product ion scan parameters were set as follows: mass range, 25–1200 Da; accumulation time, 50 ms; collision energy, 30 or −30 V in positive or negative modes, respectively; collision energy spread, 0; resolution, UNIT; charge state, 1 to 1; intensity, 100 cps; exclude isotopes within 4 Da; mass tolerance, 10 ppm; maximum number of candidate ions to monitor per cycle, 6; and exclude former target ions, for 4 s after two occurrences.
Experiment information
- Attributes
-
ion_mode Both retention_time 60-1200 instrument_type ESI-QUAD-TOF experimental_method HRMS platform TripleTOF 6600 - Project
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1
Project ID Project name Create Date OEP003157 Unknown annotation in different biological samples with KGMN 2022-02-16 - Samples
-
1
Sample ID Sample Name Organism Tissue Create Date OES134293 Human urine, plasma and BV2 cell Homo sapiens Human urine, plasma and BV2 cell 2022-02-16 - Runs
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1
Run ID Run Name Sample Data Num Create Date OER247095 OER_Zheng-Jiang_2202161916 Human urine, plasma and BV2 cell 64 2022-02-16
Author Information
- Create Date
- 2022-02-16
- Last Modified
- 2022-04-06
- Submission
- Zheng-Jiang Zhu