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MB Sample ID: SA323280
| Local Sample ID: | HILIC_R8_Pre_FMT_Pos |
| Subject ID: | SU003090 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Age Or Age Range: | 61.1 +/- 15.2 |
| Gender: | Male and female |
| Human Lifestyle Factors: | Unsuccessful antibiotic treatment for recurrent C.difficile infection |
| Human Medications: | Vancomycin, Metronidazole, Fidaxomicin, probiotic |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004887 | AN004888 | AN004889 | AN004890 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | HILIC | HILIC | Reversed phase | Reversed phase |
| Chromatography system | Thermo Vanquish | Thermo Vanquish | Thermo Vanquish | Thermo Vanquish |
| Column | Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um) | Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um) | Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) | Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) |
| MS Type | ESI | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Orbitrap ID-X tribrid | Thermo Orbitrap ID-X tribrid | Thermo Orbitrap ID-X tribrid | Thermo Orbitrap ID-X tribrid |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | Peak area | Peak area | Peak area | Peak area |
MS:
| MS ID: | MS004631 |
| Analysis ID: | AN004887 |
| Instrument Name: | Thermo Orbitrap ID-X tribrid |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Mass spectrometer settings were as follows: sheath gas, 40; aux gas, 10; sweep gas, 1; ion transfer tube temp, 325 ºC; vaporizer temp, 300 ºC; orbitrap resolution. 120000; scan range, 70-800 m/z; RF lens, 45%; normalized AGC target, 25%; maximum injection time, auto; microscans, 1; data type, profile; internal mass calibration, EASY-ICTM. Positive ion spray voltage was set to 3200 V. Instrument settings for MS1 and MS/MS methods were identical, except orbitrap resolution was decreased to maximize MS/MS spectra collection. The data-dependent MS/MS methods utilized the following settings: full scan orbitrap resolution, 60000; intensity threshold, 1.0x104; dynamic exclusion properties; exclusion duration 3 seconds (exclude after 1 time with +/- 5 ppm); isolation mode, quadrupole; isolation window, 1.2 m/z; activation type, HCD; collision energy mode, assisted; collision energies, 20, 40, and 80%; detector type, orbitrap; orbitrap resolution, 30000; normalized AGC target, 20%; maximum injection time, 54 ms; microscans, 1; data type, centroid; cycle time, 1.2 s. |
| Ion Mode: | POSITIVE |
| Capillary Temperature: | 325 |
| Collision Energy: | 20, 40, 80 |
| Collision Gas: | N2 |
| Dry Gas Flow: | Sheath: 40, Aux: 10, Sweep: 1 |
| Fragmentation Method: | Assisted |
| Ion Source Temperature: | 300 |
| Ion Spray Voltage: | +3200 |
| Ionization: | Positive |
| Mass Accuracy: | 120,000 |
| Automatic Gain Control: | 45% |
| MS ID: | MS004632 |
| Analysis ID: | AN004888 |
| Instrument Name: | Thermo Orbitrap ID-X tribrid |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Mass spectrometer settings were as follows: sheath gas, 40; aux gas, 10; sweep gas, 1; ion transfer tube temp, 325 ºC; vaporizer temp, 300 ºC; orbitrap resolution. 120000; scan range, 70-800 m/z; RF lens, 45%; normalized AGC target, 25%; maximum injection time, auto; microscans, 1; data type, profile; internal mass calibration, EASY-ICTM. Positive ion spray voltage was set to -3200 V. Instrument settings for MS1 and MS/MS methods were identical, except orbitrap resolution was decreased to maximize MS/MS spectra collection. The data-dependent MS/MS methods utilized the following settings: full scan orbitrap resolution, 60000; intensity threshold, 1.0x104; dynamic exclusion properties; exclusion duration 3 seconds (exclude after 1 time with +/- 5 ppm); isolation mode, quadrupole; isolation window, 1.2 m/z; activation type, HCD; collision energy mode, assisted; collision energies, 20, 40, and 80%; detector type, orbitrap; orbitrap resolution, 30000; normalized AGC target, 20%; maximum injection time, 54 ms; microscans, 1; data type, centroid; cycle time, 1.2 s. |
| Ion Mode: | NEGATIVE |
| Capillary Temperature: | 325 |
| Collision Energy: | 20, 40, 80 |
| Collision Gas: | N2 |
| Dry Gas Flow: | Sheath: 40, Aux: 10, Sweep: 1 |
| Fragmentation Method: | Assisted |
| Ion Source Temperature: | 300 |
| Ion Spray Voltage: | -3200 |
| Ionization: | Negative |
| Mass Accuracy: | 120,000 |
| Automatic Gain Control: | 45% |
| MS ID: | MS004633 |
| Analysis ID: | AN004889 |
| Instrument Name: | Thermo Orbitrap ID-X tribrid |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Mass spectrometer settings were as follows: sheath gas, 40; aux gas, 10; sweep gas, 1; ion transfer tube temp, 325 ºC; vaporizer temp, 300 ºC; orbitrap resolution. 120000; scan range, 70-800 m/z; RF lens, 45%; normalized AGC target, 25%; maximum injection time, auto; microscans, 1; data type, profile; internal mass calibration, EASY-ICTM. Positive ion spray voltage was set to 3200 V. Instrument settings for MS1 and MS/MS methods were identical, except orbitrap resolution was decreased to maximize MS/MS spectra collection. The data-dependent MS/MS methods utilized the following settings: full scan orbitrap resolution, 60000; intensity threshold, 1.0x104; dynamic exclusion properties; exclusion duration 3 seconds (exclude after 1 time with +/- 5 ppm); isolation mode, quadrupole; isolation window, 1.2 m/z; activation type, HCD; collision energy mode, assisted; collision energies, 20, 40, and 80%; detector type, orbitrap; orbitrap resolution, 30000; normalized AGC target, 20%; maximum injection time, 54 ms; microscans, 1; data type, centroid; cycle time, 1.2 s. |
| Ion Mode: | POSITIVE |
| Capillary Temperature: | 325 |
| Collision Energy: | 20, 40, 80 |
| Collision Gas: | N2 |
| Dry Gas Flow: | Sheath: 40, Aux: 10, Sweep: 1 |
| Fragmentation Method: | Assisted |
| Ion Source Temperature: | 300 |
| Ion Spray Voltage: | +3200 |
| Ionization: | Positive |
| Mass Accuracy: | 120,000 |
| Automatic Gain Control: | 45% |
| MS ID: | MS004634 |
| Analysis ID: | AN004890 |
| Instrument Name: | Thermo Orbitrap ID-X tribrid |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Mass spectrometer settings were as follows: sheath gas, 40; aux gas, 10; sweep gas, 1; ion transfer tube temp, 325 ºC; vaporizer temp, 300 ºC; orbitrap resolution. 120000; scan range, 70-800 m/z; RF lens, 45%; normalized AGC target, 25%; maximum injection time, auto; microscans, 1; data type, profile; internal mass calibration, EASY-ICTM. Positive ion spray voltage was set to -3200 V. Instrument settings for MS1 and MS/MS methods were identical, except orbitrap resolution was decreased to maximize MS/MS spectra collection. The data-dependent MS/MS methods utilized the following settings: full scan orbitrap resolution, 60000; intensity threshold, 1.0x104; dynamic exclusion properties; exclusion duration 3 seconds (exclude after 1 time with +/- 5 ppm); isolation mode, quadrupole; isolation window, 1.2 m/z; activation type, HCD; collision energy mode, assisted; collision energies, 20, 40, and 80%; detector type, orbitrap; orbitrap resolution, 30000; normalized AGC target, 20%; maximum injection time, 54 ms; microscans, 1; data type, centroid; cycle time, 1.2 s. |
| Ion Mode: | NEGATIVE |
| Capillary Temperature: | 325 |
| Collision Energy: | 20, 40, 80 |
| Collision Gas: | N2 |
| Dry Gas Flow: | Sheath: 40, Aux: 10, Sweep: 1 |
| Fragmentation Method: | Assisted |
| Ion Source Temperature: | 300 |
| Ion Spray Voltage: | +3200 |
| Ionization: | Negative |
| Mass Accuracy: | 120,000 |
| Automatic Gain Control: | 45% |
