Summary of Study ST000784
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 PR000570. The data can be accessed directly via it's Project DOI: 10.21228/M80D5X This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
Study ID | ST000784 |
Study Title | metabolome in a group of AA and EA matched pairs of prostate cancer (PCa) and benign adjacent tissues |
Study Summary | 10 µL of suspended samples was injected and analyzed using a 6495 triple quadrupole mass spectrometer (Agilent Technologies, Santa Clara, CA) coupled to a HPLC system (Agilent Technologies, Santa Clara, CA) via Multiple reaction monitoring (MRM) of a total of 240 endogenous water soluble metabolites for steady-state analyses of samples. Those 240 compounds monitored were chosen due to their involvement in central pathways important in a number of malignancies. Source parameters were as follows: Gas temperature was 250 °C; Gas flow was 14 l/min; Nebulizer was 20psi; Sheath gas temperature was 350 °C; Sheath gas flow was 12 l/min; Capillary was 3000 V positive and 3000 V negative; Nozzle voltage was 1500 V positive and 1500 V negative. Approximately 8–11 data points were acquired per detected metabolite. Samples were delivered to the MS via normal phase chromatography using either a 4.6 mm i.d ×10 cm Amide XBridge HILIC column (Waters) or a Luna 3µ NH2 100A (Phenomenex) at 300 µL/min |
Institute | Baylor College of Medicine |
Last Name | Sreekumar |
First Name | Arun |
Address | One Baylor Plaza, Houston, TX, 77030, USA |
Arun.Sreekumar@bcm.edu | |
Phone | 713-798-3305 |
Submit Date | 2017-05-17 |
Raw Data Available | Yes |
Raw Data File Type(s) | d |
Analysis Type Detail | LC-MS |
Release Date | 2019-07-17 |
Release Version | 1 |
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Combined analysis:
Analysis ID | AN001240 | AN001241 | AN001242 | AN001243 |
---|---|---|---|---|
Analysis type | MS | MS | MS | MS |
Chromatography type | HILIC | HILIC | HILIC | HILIC |
Chromatography system | Agilent 1290 Infinity | Agilent 1290 Infinity | Agilent 1290 Infinity | Agilent 1290 Infinity |
Column | Waters XBridge Amide (100 x 4.6mm,3.5um) | Waters XBridge Amide (100 x 4.6mm,3.5um) | Phenomenex Luna NH2 (150 x 2.1mm,3um) | Phenomenex Luna NH2 (150 x 2.1mm,3um) |
MS Type | ESI | ESI | ESI | ESI |
MS instrument type | Triple quadrupole | Triple quadrupole | Triple quadrupole | Triple quadrupole |
MS instrument name | Agilent 6490A QQQ | Agilent 6490A QQQ | Agilent 6490A QQQ | Agilent 6490A QQQ |
Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
Units | log transform with internal standard normalization | log transform with internal standard normalization | log transform with internal standard normalization | log transform with internal standard normalization |
Chromatography:
Chromatography ID: | CH000867 |
Chromatography Summary: | Flow rate was 0.3ml/min. Gradients were run starting from 85% buffer B (0.1% formic acid in acetonitrile) to 35% B from 0–3.5 minutes; 35% B to 2% B from 3.5–11.5 minutes; 2% B was held from 11.5–16.5 minutes; 2% B to 85% B from 16.5–17.5 minutes; 85% B was held for 7 minutes to re-equilibrate the column. |
Instrument Name: | Agilent 1290 Infinity |
Column Name: | Waters XBridge Amide (100 x 4.6mm,3.5um) |
Flow Rate: | 0.3ml/min |
Solvent A: | 100% water; 0.1% formic acid |
Solvent B: | 100% acetonitrile; 0.1% formic acid |
Chromatography Type: | HILIC |
Chromatography ID: | CH000868 |
Chromatography Summary: | Flow rate was 0.3ml/min. Gradients were run starting from 85% buffer B (HPLC grade acetonitrile ) to 35% B from 0–3.5 minutes; 35% B to 2% B from 3.5–11.5 minutes; 2% B was held from 11.5–16.5 minutes; 2% B to 85% B from 16.5–17.5 minutes; 85% B was held for 7 minutes to re-equilibrate the column |
Instrument Name: | Agilent 1290 Infinity |
Column Name: | Phenomenex Luna NH2 (150 x 2.1mm,3um) |
Flow Rate: | 0.3ml/min |
Solvent A: | 100% water; 20 mM ammonium formate, pH 9 |
Solvent B: | 100% acetonitrile |
Chromatography Type: | HILIC |