Dataset

Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU117210 contains the MS2 mass spectrum of Colchicine with the InChIkey IAKHMKGGTNLKSZ-INIZCTEOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
SMILES C/C(=N\[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC)/O
InChI Key IAKHMKGGTNLKSZ-INIZCTEOSA-N
Molecular Formula C22H25NO6
Exact Mass 399.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU117210
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MetadataPublished 2016-02-25
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    Measurement Technique liquid chromatography-mass spectrometry
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    LOC rcsb_pdb
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    29374654 surechembl
    8469 surechembl
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    COLCDH CCDC
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    229303 brenda
    3334 brenda
    48923 brenda
    8394 brenda
    Molport-001-742-594 molport
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    50014846 bindingdb
    The data in this table is sourced from UniChem at EBI.