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MB Sample ID: SA210623
| Local Sample ID: | T1.30.LWS3_neg |
| Subject ID: | SU002284 |
| Subject Type: | Plant |
| Subject Species: | Pinus pinaster |
| Taxonomy ID: | 71647 |
| Age Or Age Range: | one-two years |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003597 | AN003598 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Reversed phase | Reversed phase |
| Chromatography system | Thermo Dionex Ultimate 3000 | Thermo Dionex Ultimate 3000 |
| Column | Phenomenex Luna Omega Polar C18 (100 x 2.1 mm,1.7um) | Phenomenex Luna Omega Polar C18 (100 x 2.1 mm,1.7um) |
| MS Type | ESI | ESI |
| MS instrument type | QTOF | QTOF |
| MS instrument name | Bruker Impact II HD | Bruker Impact II HD |
| Ion Mode | POSITIVE | NEGATIVE |
| Units | peak area | peak area |
MS:
| MS ID: | MS003352 |
| Analysis ID: | AN003597 |
| Instrument Name: | Bruker Impact II HD |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | The column eluent was analyzed using a Bruker Impact II HD (Bruker, Karlsruhe, Germany) quadrupole time-of-flight (Q-TOF) mass spectrometer equipped with an ESI source operating in positive polarity and negative polarity. Mass spectra were acquired with the following parameters of mass spectrometer: ion capillary voltage 4.5 kV (same for positive and negative mode), dry gas flow 6 L/min, dry gas temperature 250 ºC, nebulizer pressure 2 bar, collision RF 650 V, transfer time 80 µs and prepulse storage 5 µs. Spectra data, MS1 and MS2, were acquired in a data-dependent manner at 2 Hz, fragmenting the three most abundant precursor ions per MS1 scan, acquiring MS/MS data between 50 and 1300 m/z. Repetitive MS/MS sampling was limited by exclusion after 3 spectra at a particular mass within a window of 0.2 min. MS/MS fragmentation of the 3 most intense selected ions per spectrum was performed using ramped collision-induced dissociation energy of 7–17.5 eV. Hexakis (1H, 1H, 3H-tetrafluoropropoxy) phosphazene (Agilent Technologies, Santa Clara, CA, USA) was introduced as an internal calibrant after the run ends . Each sample was analyzed twice, first using the positive ion mode and then the negative. |
| Ion Mode: | POSITIVE |
| Capillary Voltage: | 4.5 kV |
| Collision Energy: | ramped collision-induced dissociation energy of 7–17.5 eV |
| Dry Gas Flow: | 6 L/min |
| Dry Gas Temp: | 250 ºC |
| Gas Pressure: | 2 bar |
| MS ID: | MS003353 |
| Analysis ID: | AN003598 |
| Instrument Name: | Bruker Impact II HD |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | The column eluent was analyzed using a Bruker Impact II HD (Bruker, Karlsruhe, Germany) quadrupole time-of-flight (Q-TOF) mass spectrometer equipped with an ESI source operating in positive polarity and negative polarity. Mass spectra were acquired with the following parameters of mass spectrometer: ion capillary voltage 4.5 kV (same for positive and negative mode), dry gas flow 6 L/min, dry gas temperature 250 ºC, nebulizer pressure 2 bar, collision RF 650 V, transfer time 80 µs and prepulse storage 5 µs. Spectra data, MS1 and MS2, were acquired in a data-dependent manner at 2 Hz, fragmenting the three most abundant precursor ions per MS1 scan, acquiring MS/MS data between 50 and 1300 m/z. Repetitive MS/MS sampling was limited by exclusion after 3 spectra at a particular mass within a window of 0.2 min. MS/MS fragmentation of the 3 most intense selected ions per spectrum was performed using ramped collision-induced dissociation energy of 7–17.5 eV. Hexakis (1H, 1H, 3H-tetrafluoropropoxy) phosphazene (Agilent Technologies, Santa Clara, CA, USA) was introduced as an internal calibrant after the run ends . Each sample was analyzed twice, first using the positive ion mode and then the negative. |
| Ion Mode: | NEGATIVE |
| Capillary Voltage: | 4.5 kV |
| Collision Energy: | ramped collision-induced dissociation energy of 7–17.5 eV |
| Dry Gas Flow: | 6 L/min |
| Dry Gas Temp: | 250 ºC |
| Gas Pressure: | 2 bar |
