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Fetch a spectrum by USI in Duaer

In Duaer, fetch the peaks of a public mass spectrum by its USI. One successful search uses 1 credit.

What you get

Spectrum by USI in the Duaer data market uses 1 credit per successful search, including a search with no match.

Pass the returned peaks to MassBank spectra or MASST.

To work an unknown feature step by step, see Annotate an unknown feature with Duaer.

Search on the canvas

  1. Open the node creator, pick Duaer Data → Spectrum by USI.
  2. Fill USI (starts with mzspec:).
  3. Limit defaults to 10, max 20. Execute.

A successful search uses 1 credit. Empty input or a failed source uses 0.

Call the API

  • GET https://api.duaer.com/v1/data/spectrum?...
  • Authorization: Bearer <Duaer key>

The call skill below matches Copy skill.

Call skill

Same text as Copy skill.

---
name: duaer-spectrum
description: >-
  Fetch the peaks of a public mass spectrum by its USI through Duaer.
  One successful search uses 1 Duaer credit.
---

# Duaer spectrum by USI

Fetch a public MS/MS spectrum by its Universal Spectrum Identifier (USI) through the GNPS resolver with a Duaer key.

## Call

`GET https://api.duaer.com/v1/data/spectrum?usi=mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00005435737`

Header: `Authorization: Bearer <Duaer key>`

Use an account key or a model API key.

Get a Duaer key: https://skills.duaer.com/keys.md

- `usi` — required. A USI that starts with `mzspec:` (GNPS, MassIVE, MetaboLights, and other public repositories).

## Result

One item with `source`, `title`, `url` (spectrum viewer), `summary`, `usi`, `precursorMz`, `charge`, `peakCount`, `peaks` (`mz:intensity` pairs), and `splash`.
Pass `peaks` to https://skills.duaer.com/massbank.md, or the `usi` to https://skills.duaer.com/masst.md.
To work an unannotated feature step by step, follow https://skills.duaer.com/metabolic-dark-matter.md.

## Credits

One successful search uses 1 credit, including a search that finds no match.
Empty input, a failed source, or no remaining credits uses 0.
No remaining credits returns 402 and does not search.
A missing key returns 401.

Questions

How many credits does a Spectrum by USI search use in Duaer?

One successful search uses 1 credit, including a search with no match. Empty input or a failed source uses 0.

In this section

Get started

Annotate an unknown feature with Duaer

In Duaer, work an MS feature that no library identified: library match, mass candidates, reference spectra, and MASST, one Duaer Data call per step.

Get started

Match spectra in MassBank with Duaer

In Duaer, match MS/MS peaks, an exact mass, or an InChIKey against MassBank. One successful search uses 1 credit.

Get started

Search a spectrum with MASST in Duaer

In Duaer, find where an MS/MS spectrum appears in public metabolomics data with GNPS2 MASST. One successful search uses 1 credit.