Skills

在 Duaer 里按 USI 取谱

在 Duaer 里按 USI 取公开质谱的峰列表。一次成功查询用 1 额度。

能拿到什么

一条结果：前体 m/z、电荷、峰数与 mz:intensity 峰列表。

密钥

调用前先获取 Duaer 密钥.

调用技能

下面这段是给智能体复制的英文技能，和数据市场里的复制内容相同。

---
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.

相关技能