Sirius CSI:FingerID#

COMPOUND TOOL

Functionality#

Predict molecular fingerprint from MS/MS and fragmentation trees for each compound individually using CSI:FingerID fingerprint prediction.

Options#

Option

Description

-h, --help

Show this help message and exit.

--no-threshold

Disable score threshold for formula candidates. CSI: FingerID fingerprints will be predicted for all formula candidates.

-V, --version

Print version information and exit.

Follow-up commands#

  • structure, search-structure-db Search in molecular structure db for each compound individually using CSI: FingerID structure database search.

  • canopus, compound-classes - Predict compound categories for each compound individually based on its predicted molecular fingerprint (CSI: FingerID) using CANOPUS.

  • write-summaries, W - Write Summary files from a given project-space into the given project-space or a custom location.