Databases

Links to Baker Databases

Multidimensional RPLC-IMS-CID-MS Lipid Database

8/8/2024 Release Notes:

• This database contains information for 888 unique lipids from 1518 precursor [M+H]+, [M+NH4]+, [M+Na]+, [M-H]-, [M-2H]2-, [M+HCOO]- and [M+CH3COO]- ion types and their associated CID fragments (DOI: 10.1007/s00216-024-05351-4).
• This is an updated version of the Skyline library developed by Kirkwood et al., 2022 (DOI: 10.1021/acs.jproteome.1c00820).
• This is largely the same as the 03_28_2024 version, except 8 heavy labeled lipid ions were added to positive mode and 6 heavy labeled lipid ions were added to negative mode
• Additionally, the sheets with heavy labeled standards are organized to seamlessly import into Skyline among non-labeled precursors (previously these lipids would upload as new precursors, making it more difficult to perform quantitation in Skyline)
• Typos fixed

3/28/2024 Release Notes:

• This database contains information for 877 unique lipids from 1504 precursor [M+H]+, [M+NH4]+, [M+Na]+, [M-H]-, [M-2H]2-, [M+HCOO]- and [M+CH3COO]- ion types and their associated CID fragments (DOI: 10.1007/s00216-024-05351-4).
• This is an updated version of the Skyline library developed by Kirkwood et al., 2022 (DOI: 10.1021/acs.jproteome.1c00820).
• This database has 361 additional lipids, including heavy labeled internal standards by Avanti Polar Lipids
• A new matrix was added: California Sea Lion plasma

Multidimensional RPLC-IMS-MS PFAS Database

10/11/2024 Release Notes:

• This database contains information for 174 PFAS and their resulting 280 ion types, including [M-H]^–, [M-H-CO₂]^–, [M+Cl]^–, [M+H]⁺, [M+NH₄]⁺, [M+Na]⁺, [M+K]⁺, [M-H-CO₂-HF]^–, [M-C₂H₄-OH] ^–, [M-CH₂-CO₂]^–, [M-2H+Na]^–, [M-2H+K]^–, and [M+CH₃O]^–, as well as related multimers.
• Retention times, collision cross section values, and m/z were derived from analysis of verified analytical standards
• The database encompasses 168 PFAS observed in negative mode, 14 in positive mode, and 10 in both modes, with ionization using electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI)
• This is an updated version of the library developed by Foster et al., 2022 (DOI: 10.1021/acs.est.2c00201)
• This version is designed for import into Skyline. To use, please select the sheet which most accurately reflects your ionization method and mode, then copy and paste columns B-G, including column headers listed in row 4.