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MB Sample ID: SA229080
| Local Sample ID: | 3 |
| Subject ID: | SU002410 |
| Subject Type: | Cultured cells |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Cell Strain Details: | MOLM-13 cells expressing FKBPF36V-tagged SETD1A |
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Subject:
| Subject ID: | SU002410 |
| Subject Type: | Cultured cells |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Cell Strain Details: | MOLM-13 cells expressing FKBPF36V-tagged SETD1A |
Factors:
| Local Sample ID | MB Sample ID | Factor Level ID | Level Value | Factor Name |
|---|---|---|---|---|
| 3 | SA229080 | FL028955 | DMSO_24h | Condition |
Collection:
| Collection ID: | CO002403 |
| Collection Summary: | Metabolomic profiling was conducted for triplicated DMSO/dTAG-13 treated leukemia cell extracts via capillary electrophoresis time-of-flight mass spectrometry (CE-TOFMS) by using Agilent 7100 CE capillary electrophoresis (Agilent Technologies), the Agilent 6230 LC/MSD TOF system (Agilent Technologies), an Agilent1100 series binary HPLC pump, and the G1603A Agilent CE-MS adapter- and G1607A Agilent CE-ESI-MS sprayer kit. |
| Sample Type: | Leukemia cells |
Treatment:
| Treatment ID: | TR002422 |
| Treatment Summary: | Cells were treated with dTAG-13 for 24 h or 48 h. |
| Treatment Compound: | dTAG-13 |
Sample Preparation:
| Sampleprep ID: | SP002416 |
| Sampleprep Summary: | For anionic metabolite analysis, the original Agilent stainless ESI needle was replaced with the Agilent G7100-60041 platinum ESI needle. System control and data acquisition were performed by Agilent MassHunter Workstation, and data analysis was done by Keio MasterHands software. For cationic metabolite analysis, separations were carried out in a fused silica capillary (50 µm i.d. x 100 cm total length) filled with 1 M formic acid as the electrolyte. Approximately 5 nL of sample solution were injected at 50 mbar for 5 sec and 30 kV of voltage was applied. The capillary temperature was maintained at 20 ºC and the sample tray was cooled below 5 ºC. Methanol-water (50 % v/v) containing 0.01 µM Hexakis(2,2-difluoroethoxy)phosphazene was delivered as the sheath liquid at 10 µL/min. |
Combined analysis:
| Analysis ID | AN003791 | AN003792 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | CE | CE |
| Chromatography system | Agilent 7100 CE | Agilent 7100 CE |
| Column | COSMO(+) (chemically coated with cationic polymer) capillary (50um x 105cm total length) (Nacalai Tesque,Kyoto,Japan) | COSMO(+) (chemically coated with cationic polymer) capillary (50um x 105 cm total length) (Nacalai Tesque,Kyoto,Japan) |
| MS Type | ESI | ESI |
| MS instrument type | QTOF | QTOF |
| MS instrument name | Agilent 6230 TOF | Agilent 6230 TOF |
| Ion Mode | POSITIVE | NEGATIVE |
| Units | fmol/cell | fmol/cell |
Chromatography:
| Chromatography ID: | CH002804 |
| Chromatography Summary: | For cationic metabolite analysis, separations were carried out in a fused silica capillary (50 µm i.d. x 100 cm total length) filled with 1 M formic acid as the electrolyte. Approximately 5 nL of sample solution were injected at 50 mbar for 5 sec and 30 kV of voltage was applied. The capillary temperature was maintained at 20 ºC and the sample tray was cooled below 5 ºC. Methanol-water (50 % v/v) containing 0.01 µM Hexakis(2,2-difluoroethoxy)phosphazene was delivered as the sheath liquid at 10 µL/min. |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | COSMO(+) (chemically coated with cationic polymer) capillary (50um x 105cm total length) (Nacalai Tesque,Kyoto,Japan) |
| Chromatography Type: | CE |
| Chromatography ID: | CH002805 |
| Chromatography Summary: | For anionic metabolite analysis, a commercially available COSMO(+) (chemically coated with cationic polymer) capillary (50 µm i.d. x 105 cm total length) (Nacalai Tesque, Kyoto, Japan) was used with a 50 mM ammonium acetate solution (pH 8.5) as the electrolyte. Sample solution (30 nL) was injected at 50 mbar for 30 sec and -30 kV of voltage was applied. Ammonium acetate (5 mM) in 50 % methanol-water (v/v) containing 0.01 µM Hexakis(2,2-difluoroethoxy)phosphazene was delivered as the sheath liquid at 10 µl/min. |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | COSMO(+) (chemically coated with cationic polymer) capillary (50um x 105 cm total length) (Nacalai Tesque,Kyoto,Japan) |
| Chromatography Type: | CE |
MS:
| MS ID: | MS003533 |
| Analysis ID: | AN003791 |
| Instrument Name: | Agilent 6230 TOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Electrospray ionization (ESI)-time-of-flight mass spectrometry (TOFMS) was conducted in the positive ion mode and the capillary voltage was set at 4,000V. A flow rate of heated dry nitrogen gas (heater temperature 300 ºC) was maintained at 7 psig. In TOFMS, the fragmentor-, skimmer-, and Oct RFV voltage was set at 75 V, 50 V, and 500V, respectively. Automatic recalibration of each acquired spectrum was performed using reference masses of reference standards. The 13C isotopic ion of a protonated methanol dimer ([2MeOH+H]+, m/z 66.0631) and Hexakis(2,2-difluoroethoxy)phosphazene ([M+H]+, m/z 622.0290) provided the lock mass for exact mass measurements. |
| Ion Mode: | POSITIVE |
| MS ID: | MS003534 |
| Analysis ID: | AN003792 |
| Instrument Name: | Agilent 6230 TOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | ESI-TOFMS was conducted in the negative ion mode; the capillary voltage was set at 3,500 V. For TOFMS, the fragmentor-, skimmer-, and Oct RFV voltage was set at 100 V, 50 V, and 500 V, respectively. Automatic recalibration of each acquired spectrum was performed using reference masses of reference standards, i.e., 13C isotopic ion of deprotonated acetic acid dimer ([2CH3COOH-H]-, m/z 120.0384), and Hexakis + deprotonated acetic acid (m/z 680.03554) provided the lock mass for exact mass measurements. |
| Ion Mode: | NEGATIVE |
