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LC-MS

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农学代谢组数据库
2019-07-17 16:26:07

  ◆ MetWare DB - from Metware Biotechnology Co., Ltd.

  ◆ Metlin DB - from Scripps

  ◆ MassBank DB - from the Japanese metabolomics initiative

  ◆ MassFrontier - spectral tree MS/MS + CID collection

  ◆ HMDB - Human Metabolome DB with multiple search interfaces (adducts, accurate masses)

  ◆ MassBank - Large curated repository of MS1 and MS/MS spectra (ESI, MALDI, APCI)

  ◆ LipidBlast - the largest freely available in-silico MS/MS spectral database for lipid identification

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农学代谢组数据库
2019-07-17 16:26:07

GC-MS

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农学代谢组数据库
2019-07-17 16:25:45

  ◆ SetupX - LIMS system storing meta-data and annotated GC-MS results from Fiehn Laboratory

  ◆ Mass Spectrum Interpreter - a free tool from NIST for MS fragment annotation and the NIST MS Search

  ◆ NIST05, Wiley, Palisade electron impact mass spectral databases + retention indices (NIST05)

  ◆ SetupX - Open Repository of GC-MS experiments from Fiehnlab, annotated and assigned metabolomic profiling raw data from 1600 public GC-MS samples can be downloaded [content-1] [species]

  ◆ MassBase - Download for 2500 GC-MS samples and standards from KAZUSA

分类:
农学代谢组数据库
2019-07-17 16:25:45

NMR

分类:
农学代谢组数据库
2019-07-17 16:25:27

  ◆ NMR prediction - NMRPredict software from Modgraph

  ◆ NMRShiftDB - largest open NMR data spectral collection (25k experimental spectra)

  ◆ CSearchlite - free database of CNMR shift predictions (23 million unique structures from PubChem)

  ◆ MMCD - Madison Metabolomics Consortium Database (MMCD) - largest collection of experimental 1H, 13C and 2D NMR raw spectra

分类:
农学代谢组数据库
2019-07-17 16:25:27
分类:
农学代谢组数据库
2019-07-17 16:25:09

  ◆ PubChem - the most important small molecule database (compounds, substances, assays)

  ◆ Chemical Lookup Service - the largest collection (30 million) of small molecules

  ◆ KEGG database - the metabolite and pathway database

  ◆ Pathguide - pathway database collection

  ◆ Chemspider - search service for small molecules and property data (with programmers API)

  ◆ KNApSAcK - Species-Metabolite Relationship Database from NAIST (Kanaya Lab) and RIKEN

分类:
农学代谢组数据库
2019-07-17 16:25:09
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