MassIVE MSV000099788

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GNPS - plantMASST submission - seed extracts

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Description

Plant metabolic extracts. Plant seeds as specified in file name and metadata were collected. 0.1-0.2 g fresh weight tissue were frozen, ground in a metal Tissuelyzer homogenizer tube with one 0.25 in stainless steel ball (MP Biomedicals, Cat# MP116991006) for 1 min at 6 m/s with a MP Biomedicals FastPrep-24-5G Tissuelyser. Ground tissue was added with 1 mL acetonitrile-water-formic acid (50%/48%/2%, v/v/v), ground another 20 s at 6 m/s with the Tissuelyzer and then incubated for 10 min at 60 celsius in a waterbath. The extract was separated from insoluble material by centrifugation at 16,000 x g for 5 min, transferred to a glass vial (12x75 mm) and dried in a speedvac (3 h at 45 celsius at 500 (m)torr). Dried supernatant was resuspended in 80% methanol, transferred to 2mL tubes, centrifuged for 5 min at 16,000 x g filtered through Whatman 0.2 um syringeless LC-MS filters (Cytiva, Cat# UN503NPEORG) before LC-MS analysis. Extract samples were analyzed by LC-MS/MS on an Thermo QExactive orbitrap with a HESI-II ion source and a Vanquish LC. LC-MS settings were as follows: Injection volume 5 uL, LC - Phenomenex Kinetex 2.6 um C18 reverse phase 100 A 150 x 3 mm LC column, LC gradient: solvent A - 0.1% formic acid, solvent B - acetonitrile (0.1% formic acid), 0 min: 10% B, 0.7 min: 10% B, 9.8 min: 95% B, 10.7 min: 95% B, 10.8 min: 10% B, 14.8 min: 10% B, 0.5 mL/min, MS - positive ion mode, Full MS: Resolution 35,000, AGC target 1e6, Maximum IT 50 ms, mass range 150-500 m/z (lowmz method) or 450-1,500 m/z (highmz method), dd-MS2 (data-dependent MS/MS): resolution 17,500, AGC target 1e5, Maximum IT 50 ms, Loop count 5, Isolation width 1.0 m/z, Collision energy 25 eV (stepped 20, 25, 30 eV), dynamic exclusion 0.5 s. [doi:10.25345/C5833NB8C] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: plantMASST ; metabolomics ; plants ; seeds ; DatasetType:Metabolomics

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Principal Investigators:
(in alphabetical order) 		Roland Kersten, University of Michigan, United States
Submitting User: wenjieliCOP
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GNPS content goes here (MSV000099788 [task=d1af4d2ceacb41babe91c7eeca72337d])
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