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MB Sample ID: SA152080
| Local Sample ID: | DNA_Adducts_Blank_1 |
| Subject ID: | SU001738 |
| Subject Type: | Synthetic sample |
| Subject Species: | - |
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Combined analysis:
| Analysis ID | AN002712 |
|---|---|
| Analysis type | MS |
| Chromatography type | Reversed phase |
| Chromatography system | Thermo Dionex Ultimate 3000 RS |
| Column | Phenomenex Kinetex C18 (150 x 2.1mm,2.6um) |
| MS Type | ESI |
| MS instrument type | Ion trap |
| MS instrument name | Thermo Fusion Tribrid Orbitrap |
| Ion Mode | POSITIVE |
| Units | Abundance |
MS:
| MS ID: | MS002509 |
| Analysis ID: | AN002712 |
| Instrument Name: | Thermo Fusion Tribrid Orbitrap |
| Instrument Type: | Ion trap |
| MS Type: | ESI |
| MS Comments: | Untargeted DDA-CNL-MS3 analyses were performed with full scan detection followed by MS2 acquisition and constant neutral loss triggering of MS3 fragmentation. Full scan detection was performed using the Orbitrap detection at a resolution of 60,000, automatic gain control (AGC) targeted setting of 2 × 10^5, and a maximum ion injection time setting of 118 ms. Full scan range of 150 – 1000 m/z was used for analysis of the authentic standards. MS2 spectra were acquired with quadrupole isolation of 1.5 m/z, fragmentation of the top 10 most intense full scan ions with Orbitrap detection at a resolution of 15,000, an AGC setting of 5 × 10^4, and a maximum ion injection time of 200 ms. The analysis of authentic standards utilized CID fragmentation with a constant collision energy of 30% and maximum ion injection time of 75 ms. Data-dependent parameters were as follows: a triggering threshold of 2.0 × 10^4, repeat count of 1, exclusion duration of 15 s. No masses were excluded in the analysis of the authentic standards. MS3 HCD /CID fragmentation (2.5 m/z isolation width, HCD/CID collision energy of 30%) with Orbitrap detection at a resolution of 15,000 was triggered upon observation of neutral losses of 116.0474, 151. 0494, 135.0545, 126.0429 and 111.0433 m/z. A minimal product ion signal of 1.0 × 10^4 was used. All spectra were acquired with the EASY-IC lock mass (202.0777 m/z) enabled. |
| Ion Mode: | POSITIVE |
