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. 2023 Dec;20(12):1836-1837.
doi: 10.1038/s41592-023-02078-5.

METLIN-CCS: an ion mobility spectrometry collision cross section database

Erin S Baker  1 , Corey Hoang  2 , Winnie Uritboonthai  2 , Heino M Heyman  3   4 , Brian Pratt  5 , Michael MacCoss  5 , Brendan MacLean  5 , Robert Plumb  6 , Aries Aisporna  2 , Gary Siuzdak  7   8
Affiliations

METLIN-CCS: an ion mobility spectrometry collision cross section database

Erin S Baker et al. Nat Methods. 2023 Dec.
No abstract available

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Conflict of interest statement

Competing interests

The authors declare no competing interests.

Figures

Fig. 1 |
Fig. 1 |. METLIN-CCS.
a, General five-step workflow used to generate CCS values for the molecular standards. b, Representative CCS values for the 27,633 molecular standards with respective [M+H]+, [M+Na]+ and [M−H]− ions. Two trend lines were observed for the ions, the first corresponding to those that formed singly charged dimers in the ESI source, stayed as dimers during the IMS separation, and then broke into monomers before detection (ions above dotted line) and the second corresponding to ions that were singly charged monomers from the ESI source to detector (ions below the dotted line). The lower trend line (ions below the dotted line) illustrates ions that were singly charged monomers from the ESI source to detector. The tuning mix of monomeric and dimeric ions at m/z of 118 and the monomers at 622 helped distinguish the trend line. m, mass; z, charge; K0, reduced mobility; CV, coefficient of variation.
See this image and copyright information in PMC

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