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LC-MS

分类:
医学代谢组数据库
2019-07-05 11:16:25

  ● 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

分类:
医学代谢组数据库
2019-07-05 11:16:25

GC-MS

分类:
医学代谢组数据库
2019-07-05 11:16:07

  ● 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 rawdata 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:
医学代谢组数据库
2019-07-05 11:16:07

NMR

分类:
医学代谢组数据库
2019-07-05 11:15:49

  ● 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:
医学代谢组数据库
2019-07-05 11:15:49
分类:
医学代谢组数据库
2019-07-05 11:15:32

  ● 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:
医学代谢组数据库
2019-07-05 11:15:32
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