Dataset Information



ABSTRACT: Data set for demonstration of rawDiag package functions. LC-MS data was recorded on a Q Exactive HF-X (Thermo Fisher Scientific) operated in line with an Acquity M-Class (Waters) UPLC. In short, peptides were loaded onto a nanoEase M/Z Symmetry C18 100A, 5 um, 180 um x 20 mm trap column (Waters, part# 186008821) and separated running a peace-wise linear gradient from 5% to 24% B in 50 min and 24% to 36% B in 10 min over the nanoEase M/Z C18 T3 Col 100A, 1.8 um, 75 um x 250 mm analytical column (Waters, part# 186008818) at a flow rate of 300 nl/min (buffer A: Water incl. 0.1% formic acid; buffer B: acetonitrile incl. 0.1% formic acid). Eluting peptides were ionized applying the principle of electro spray ionization on a Digital PicoView 550 (New Objective) nano source equipped with silica emitters (New Objective, part# FS360-20-10-N-20-C12 DOM). Data dependent analysis (DDA) was conducted by recording MS1 spectra at 60k R over the scan range of 350 to 1400 m/z. MS2 scans were acquired at 7500 R (AGC target: 1e5, maxIT: 11 ms) for the most abundant (topN: 36, 48 or 72) precursor signals using an isolation window of 1.3 Da and a NCE of 28 for peptide fragmentation. Dynamic exclusion was set to 10 s. Ions having a charge below 2 and above 6, as well as isotopes were excluded from further analysis.


ORGANISM(S): Homo sapiens  

SUBMITTER: Ralph Schlapbach   

PROVIDER: MSV000082389 | Massive | Wed May 23 07:25:00 BST 2018


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