Stable label isotope tracing for untargeted data

    公开(公告)号:US11817185B2

    公开(公告)日:2023-11-14

    申请号:US16846185

    申请日:2020-04-10

    CPC classification number: G16C20/30 G16C20/50 G16C20/70 G16H10/40

    Abstract: A method for analyzing samples utilizing stable label isotope tracing includes receiving mass spectrometry (MS) data generated by an MS system performing untargeted data acquisition on a plurality of samples, performing untargeted feature extraction on the unlabeled compound data to generate a data set of first extracted features, generating a plurality of empirical molecular formulas respectively corresponding to the first extracted features, performing targeted isotopologue extraction on the labeled compound data to generate a data set of second extracted features, wherein the targeted isotopologue extraction is based on the empirical molecular formula and retention time of each first extracted feature, and identifying one or more groups of isotopologues from the second extracted features.

    Method for enhancing electrospray

    公开(公告)号:US10373816B2

    公开(公告)日:2019-08-06

    申请号:US15461337

    申请日:2017-03-16

    Abstract: Provided herein, among other things, is a method of ionizing a first stream of liquid by an electrospray ion source having a nebulizer, wherein the first stream of liquid may comprise an analyte. In some embodiments, the method may comprise: a) providing the first stream of liquid to the nebulizer; b) adding a second stream of liquid to the first stream of liquid, wherein the second stream of liquid comprises a co-solvent that has a relatively high boiling point and an enhancement solvent that a relatively high boiling; and c) nebulizing and ionizing the resulting liquid.

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