Summary of Study ST001135

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR000760. The data can be accessed directly via it's Project DOI: 10.21228/M8FH6C This work is supported by NIH grant, U2C- DK119886.

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Study IDST001135
Study TitleDifferent dose exposure of OPC-163493 on HepG2 cells (part-I)
Study TypeCompound dosage test
Study SummaryMetabolomics analysis were on 8 samples of HepG2 cells that were treated with compound OPC-163493 (DMSO control, 1, 3, or 10µM; each n=2) exposure for 30 min.
Institute
Otsuka Pharmaceutical Co., Ltd.
Last NameKanemoto
First NameNaohide
Address463-10 Kagasuno Kawauchi-cho Tokushima 771-0192, Japan
EmailKanemoto.Naohide@otsuka.jp
Phone81-03-6717-1400
Submit Date2019-02-07
Analysis Type DetailLC-MS
Release Date2019-03-06
Release Version1
Naohide Kanemoto Naohide Kanemoto
https://dx.doi.org/10.21228/M8FH6C
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN001860 AN001861
Analysis type MS MS
Chromatography type CE CE
Chromatography system Agilent 7100 CE Agilent 7100 CE
Column Fused silica capillary, i.d. 50 μm × 80 cm Fused silica capillary, i.d. 50 μm × 80 cm
MS Type ESI ESI
MS instrument type Other Triple quadrupole
MS instrument name Agilent 6210 TOF Agilent 6460 QQQ
Ion Mode UNSPECIFIED UNSPECIFIED
Units Concentration (pmol/1000000 cells) Concentration (pmol/1000000 cells)

MS:

MS ID:MS001720
Analysis ID:AN001860
Instrument Name:Agilent 6210 TOF
Instrument Type:Other
MS Type:ESI
MS Comments:The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using automatic integration software MasterHands (Keio University, Tsuruoka, Japan) in order to obtain peak information including m/z, migration time for CE-TOFMS measurement (MT) and peak area. Signal peaks corresponding to isotopomers, adduct ions, and other product ions of known metabolites were excluded, and remaining peaks were annotated with putative metabolites from the HMT metabolite database based on their MTs and m/z values determined by TOFMS. The tolerance range for the peak annotation was configured at ±0.5 min for MT and ±10 ppm for m/z. In addition, peak areas were normalized against those of the internal standards and then the resultant relative area values were further normalized by sample amount.
Ion Mode:UNSPECIFIED
  
MS ID:MS001721
Analysis ID:AN001861
Instrument Name:Agilent 6460 QQQ
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using MasterHands, automatic integration software (Keio University, Tsuruoka, Yamagata, Japan) and MassHunter Quantitative Analysis B.04.00 (Agilent Technologies) in order to obtain peak information including m/z, peak area, and migration time (MT). Signal peaks were annotated according to the HMT metabolite database based on their m/z values with the MTs. The peak area of each metabolite was normalized with respect to the area of the internal standard and metabolite concentration was evaluated by standard curves with three-point calibrations using each standard compound.
Ion Mode:UNSPECIFIED
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