入门
在 Duaer 里匹配 MassBank 谱图
在 Duaer 里用 MS/MS 峰、精确质量或 InChIKey 匹配 MassBank。一次成功查询用 1 额度。
能拿到什么
Duaer 数据市场里的「MassBank spectra」一次成功查询 1 额度，查不到结果也算一次。
按峰检索会返回余弦相似度 score。
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 → MassBank spectra。
- 填 Peaks（mz:intensity，空格分隔），或 Exact mass，或 InChIKey。
- 可选 Cosine threshold、Mass tolerance (Da)、Ion Mode。
- 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/massbank?...
- 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-massbank
description: >-
Match MS/MS peaks, an exact mass, or an InChIKey against MassBank spectra through Duaer.
One successful search uses 1 Duaer credit.
---
# Duaer MassBank spectra
Match an MS/MS spectrum against the MassBank Europe reference library through Duaer with a Duaer key.
## Call
`GET https://api.duaer.com/v1/data/massbank?peaks=59.0138:715%2089.0251:999&ionMode=NEGATIVE&limit=10`
Header: `Authorization: Bearer <Duaer key>`
Use an account key or a model API key.
Get a Duaer key: https://skills.duaer.com/keys.md
Provide `peaks`, `mass`, or `inchikey` (used in that order).
- `peaks` — MS/MS peaks as `mz:intensity` pairs separated by spaces. One `mz intensity` pair per line also works.
- `threshold` — optional. Minimum cosine similarity for `peaks`, from 0 to 1. Default 0.7.
- `mass` — neutral monoisotopic mass, such as 180.0634.
- `tolerance` — optional. Mass tolerance in Da for `mass`. Default 0.01.
- `inchikey` — reference records for one compound, such as a https://skills.duaer.com/mass-candidates.md result.
- `ionMode` — optional. `POSITIVE` or `NEGATIVE`.
- `limit` — optional. From 1 to 20. Default 10.
## Result
Each item has `source`, `title`, `url`, `summary`, `accession`, `compound`, `formula`, `mass`, `inchikey`, `ionMode`, `instrument`, and `score` (cosine, peak searches only).
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 MassBank spectra 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