Dataset

Ganciclovir; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO003043 contains the MS2 mass spectrum of Ganciclovir with the InChIkey IRSCQMHQWWYFCW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
SMILES OCC(CO)OCn(c2)c(N=1)c(n2)C(=O)NC(N)1
InChI Key IRSCQMHQWWYFCW-UHFFFAOYSA-N
Molecular Formula C9H13N5O4
Exact Mass 255.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO003043
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    Measurement Technique liquid chromatography-mass spectrometry
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    GA2 rcsb_pdb
    CHEMBL182 chembl
    14491348 surechembl
    3033 surechembl
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    135398740 pubchem
    P9G3CKZ4P5 fdasrs
    PD002768 probes_and_drugs
    UGIVAI CCDC
    166475 brenda
    209607 brenda
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    2899 brenda
    GA2 pdbe
    CHEBI:465284 chebi
    HMDB0015139 hmdb
    DTXSID8041032 comptox
    NCT00000134 clinicaltrials
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    NCT00000143 clinicaltrials
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    NCT00005057 clinicaltrials
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    NCT00141037 clinicaltrials
    NCT00217503 clinicaltrials
    NCT00241345 clinicaltrials
    NCT00264368 clinicaltrials
    NCT00372229 clinicaltrials
    NCT00373165 clinicaltrials
    NCT00431353 clinicaltrials
    NCT00497796 clinicaltrials
    NCT00530218 clinicaltrials
    NCT00870181 clinicaltrials
    NCT00917826 clinicaltrials
    NCT00947141 clinicaltrials
    NCT00964756 clinicaltrials
    NCT00986557 clinicaltrials
    NCT01185223 clinicaltrials
    NCT01335932 clinicaltrials
    NCT01446445 clinicaltrials
    NCT01533480 clinicaltrials
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    1277 drugcentral
    50237614 bindingdb
    85707 bindingdb
    The data in this table is sourced from UniChem at EBI.