Invention Grant
- Patent Title: Automated spectral library retention time correction
-
Application No.: US16323489Application Date: 2017-07-19
-
Publication No.: US11378561B2Publication Date: 2022-07-05
- Inventor: Stephen A. Tate
- Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
- Applicant Address: SG Singapore
- Assignee: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
- Current Assignee: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
- Current Assignee Address: SG Singapore
- Agency: Kasha Law LLC
- Agent John R. Kasha; Kelly L. Kasha
- International Application: PCT/IB2017/054384 WO 20170719
- International Announcement: WO2018/029554 WO 20180215
- Main IPC: G01N30/72
- IPC: G01N30/72 ; G01N30/86 ; G16C20/20 ; G16C20/70 ; H01J49/00

Abstract:
A plurality of measured product ion spectra is produced using a DIA tandem mass spectrometry method. One or more product ions are retrieved from a spectral library of known compounds or one or more theoretical product ions are calculated for the known compounds of a database. For each known or theoretical product ion, an XIC is calculated from the measured product ion spectra. Measured XIC peaks above a threshold intensity are grouped for the known compounds producing a subset of known compounds. Known or theoretical retention times are retrieved or calculated for the subset of known compounds. A regression function is calculated to correct the known or theoretical retention times using the known or theoretical retention times of the subset of known compounds as the independent variables and the measured retention times of the measured XIC peak groups of the subset of known compounds as the dependent variables.
Public/Granted literature
- US20210293764A1 Automated Spectral Library Retention Time Correction Public/Granted day:2021-09-23
Information query