入门
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
Duaer 数据市场里的「Spectrum by USI」一次成功查询 1 额度,查不到结果也算一次。
结果里的峰列表可直接交给 MassBank 谱图或 MASST。
逐步处理未知特征见 用 Duaer 注释未知特征。
在画布里检索
- 打开节点创建器,选 Duaer 数据 → Spectrum by USI。
- 填 USI(以 mzspec: 开头)。
- Limit 默认 10,最大 20。执行。
成功扣 1 额度;输入为空或来源失败不扣。
用 API 调用
- GET https://api.duaer.com/v1/data/spectrum?...
- Authorization: Bearer <Duaer key>
下方是与「复制技能」相同的英文技能。
调用技能(英文)
与数据市场「复制技能」一致。
---
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.
常见问题
Duaer 的 Spectrum by USI 检索扣多少额度?
一次成功扣 1 额度,查不到结果也算一次;输入为空或来源失败不扣。
同组