Metabolite search was based on the metabolite library and Known-Unknown library by Human Metabolome Technologies, with allowable errors of MT ± 0.5 min, RT ± 0.3 min, and m/z ± 10 ppm (CE-TOFMS) and ± 25 ppm (LC-TOFMS). PCA analysis was performed using the original software in Human Metabolome Technologies.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Capillary electrophoresis MS - negative - normal-phase-chromatography","Liquid Chromatography MS - alternating - reverse-phase","Capillary electrophoresis MS - positive - normal-phase-chromatography","Liquid Chromatography MS - negative - normal-phase"],"chromatography_protocol":["LC-MS
Column temp.: 40℃
Mobile phase A: H2O / 0.1% HCOOH
Mobile phase B: Isopropanol: Acetonitrile: H2O (65:30:5) / 0.1% HCOOH, 2 mM HCOONH4
Flow rate: 0.3 mL / min
Run time: 20 min
Post time: 7.5 min
Gradient condition: 0-0.5 min: B 1%, 0.5-13.5 min: B 1-100%, 13.5-20 min: B 100%
CE-MS, Cation mode
Run buffer: Cation Buffer Solution (p/n : H3301-1001)
Rinse buffer: Cation Buffer Solution (p/n : H3301-1001)
Sample injection: Pressure injection 50 mbar, 5 sec
CE voltage: Positive, 30 kV
CE-MS, Anion mode
Run buffer: Anion Buffer Solution (p/n : I3302-1023)
Rinse buffer: Anion Buffer Solution (p/n : I3302-1023)
Sample injection: Pressure injection 50 mbar, 10 sec
CE voltage: Positive, 30 kV
Agilent CE-TOFMS system
Capillary: Fused silica capillary i.d. 50 μm × 80 cm
"],"organism_part":["blood plasma"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["For CE-TOFMS, fecal samples were mixed with 500 μL of internal control molecules (200 μM dissolved in ultrapure water) and centrifuged at 15,000×g for 10 min at 4 °C. The supernatant was applied to ultrafiltration tubes (UltrafreeMC-PLHCC, 5 kDa, Human Metabolome Technologies, Yamagata, Japan) and centrifuged at 9,100×g for 2 h at 4 °C. 80 μL of flow-through was mixed with 20 μL of ultrapure water and used for measurement. For LC-TOFMS, fecal samples were mixed with 1,000 μL of internal control molecules (40 μM dissolved in methanol) and centrifuged at 14,000×g for 10 min at 4 °C. The supernatant was applied to ultrafiltration tubes (NANOSEP 3k OMEGA, 3 kDa, Pall Life Sciences, Port Washington, NY, USA) and centrifuged at 9,100×g for 2 h at 4 °C. The flow-through was air-dried, dissolved in 50% isopropanol and used for measurement. For CE-TOFMS, 50 μL of plasma samples were mixed with 200 μL of internal control molecules (20 μM dissolved in methanol) and further mixed with 150 μL of ultrapure water. The mixture was applied to ultrafiltration tubes (UltrafreeMC-PLHCC, 5 kDa, Human Metabolome Technologies) and centrifuged at 9,100×g for 2 h at 4 °C. The flow-through was air-dried, dissolved in Milli-Q water and used for measurement. For LC-TOFMS, 100 μL of plasma samples were mixed with 300 μL of internal control molecules (4 μM dissolved in 1% formic acid-acetonitrile). After centrifugation at 2,300×g for 5 min at 4 °C, the supernatant was treated with solid phase extraction to remove phospholipids. The flow-through was air-dried, dissolved in 50% isopropanol and used for measurement.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15698"],"author":["Kazuki Harada. National Institute for Environmental Studies. harada.kazuki@nies.go.jp.","Tsuboi Takashi. The University of Tokyo. takatsuboi@bio.c.u-tokyo.ac.jp."],"data_transformation_protocol":["For data analysis, MasterHands software (version 2.19.0.2, Keio University) was used. Peaks with a signal-to-noise ratio ≥ 3 were automatically detected to acquire their m/z, peak area, migration time (MT) for CE-TOFMS, and retention time (RT) for LC-TOFMS. Peak areas were normalized by internal control molecules and the amount of samples.
"],"study_factor":["Genotype"],"submitter_email":["harada.kazuki@nies.go.jp"],"sample_collection_protocol":["Fecal samples were collected and stored in the same procedure as those for metagenome analysis from normally bred, 10- to 14-week-old fed mice and stored at -70 °C. Blood samples were collected from the vena cava of isoflurane-anesthetized mice with 0.13% EDTA-2K (Dojindo, Kumamoto, Japan), and centrifuged at 1,200×g for 10 min at RT. After centrifugation, plasma samples were stored at -70 °C.
"],"omics_type":["Metabolomics"],"study_design":["Metabolomics","Mus musculus","blood plasma","Agilent CE-TOFMS system","untargeted analysis","Body weight","Agilent LC/MSD TOF","lipid storage","Agilent 1200 series RRLC system SL","autism spectrum disorder","experimental sample"],"curator_keywords":["Metabolomics","Mus musculus","blood plasma","Agilent CE-TOFMS system","untargeted analysis","Body weight","Agilent LC/MSD TOF","Agilent 1200 series RRLC system SL","lipid storage","autism spectrum disorder","experimental sample"],"mass_spectrometry_protocol":["LC-MS, Positive mode
MS ionization mode: ESI Positive
MS Nebulizer pressure: 40 psi
MS dry gas flow: 10 L / min
MS dry gas temp: 350℃
MS capillary voltage: 4,000 V
MS scan range: m/z100-1,700
Sample injection: 1 μL
LC-MS, Negative mode
MS ionization mode: ESI Negative
MS Nebulizer pressure: 40 psi
MS dry gas flow: 10 L / min
MS dry gas temp: 350℃
MS capillary voltage: 3,500 V
MS scan range: m/z 100-1,700
Sample injection: 1 μL
CE-MS, Cation mode
MS ionization: ESI Positive
MS capillary voltage: 4,000 V
MS scan range: m/z 50-1,000
Sheath liquid: HMT Sheath Liquid (p/n : H3301-1020)
CD-MS, Anion mode
MS ionization: ESI Negative
MS capillary voltage: 3,500 V
MS scan range: m/z 50-1,000
Sheath liquid: HMT Sheath Liquid (p/n : H3301-1020)
We aimed to clarify the metabolomic properties of mice with haploinsufficiency in the autism spectrum disorder-related gene lysine methyltransferase 2c (Kmt2c) (Kmt2c+/fs mice). We collected plasma from control (Kmt2c+/+) and Kmt2c+/fs mice, and compared the composition of metabolites using LC-MS and CE-MS.
","dates":{"publication":"2026-09-17","submission":"2026-09-17"},"accession":"MTBLS15698","cross_references":{}}