Dataset

Etoposide; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002748 contains the MS mass spectrum of Etoposide with the InChIkey VJJPUSNTGOMMGY-MRVIYFEKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
SMILES c(C(c(c7)cc(OC)c(O)c7OC)4)(c5)c(cc(O6)c5OC6)C(C(C43[H])([H])COC(=O)3)OC(O1)C(C(O)C(O2)([H])C1(COC(C)2)[H])O
InChI Key VJJPUSNTGOMMGY-MRVIYFEKSA-N
Molecular Formula C29H32O13
Exact Mass 588.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002748
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00773 drugbank
    CHEBI:4911 chebi
    EVP rcsb_pdb
    CHEMBL44657 chembl
    29653657 surechembl
    4259 surechembl
    36462 pubchem
    6PLQ3CP4P3 fdasrs
    PD003202 probes_and_drugs
    LEZREO CCDC
    147647 brenda
    153455 brenda
    154445 brenda
    182403 brenda
    21602 brenda
    229441 brenda
    229442 brenda
    49045 brenda
    774 brenda
    92457 brenda
    98367 brenda
    HMDB0014911 hmdb
    191006 bindingdb
    191203 bindingdb
    191394 bindingdb
    339318 bindingdb
    351678 bindingdb
    430164 bindingdb
    430174 bindingdb
    50219702 bindingdb
    50252558 bindingdb
    50313904 bindingdb
    50313912 bindingdb
    50393207 bindingdb
    50412597 bindingdb
    50560240 bindingdb
    50566190 bindingdb
    50566232 bindingdb
    50566911 bindingdb
    50653081 bindingdb
    50669380 bindingdb
    50672165 bindingdb
    50725082 bindingdb
    50739343 bindingdb
    50767932 bindingdb
    50772818 bindingdb
    50772932 bindingdb
    50773146 bindingdb
    50776571 bindingdb
    50786994 bindingdb
    50818133 bindingdb
    50818140 bindingdb
    50818143 bindingdb
    50818144 bindingdb
    50818157 bindingdb
    50866343 bindingdb
    50871934 bindingdb
    50872345 bindingdb
    50889020 bindingdb
    50909093 bindingdb
    50929757 bindingdb
    50999508 bindingdb
    51026675 bindingdb
    51026684 bindingdb
    51059931 bindingdb
    51103343 bindingdb
    51123340 bindingdb
    51150843 bindingdb
    51151579 bindingdb
    51156744 bindingdb
    51159328 bindingdb
    51180565 bindingdb
    51198349 bindingdb
    51199754 bindingdb
    51250864 bindingdb
    51275763 bindingdb
    51368211 bindingdb
    51371133 bindingdb
    51374626 bindingdb
    51549537 bindingdb
    51549541 bindingdb
    51552826 bindingdb
    51552830 bindingdb
    Molport-006-069-121 molport
    1112 drugcentral
    The data in this table is sourced from UniChem at EBI.