Dataset

Fiscalin C; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000834 contains the MS2 mass spectrum of Fiscalin C with the InChIkey VHQZIMAMLQIPDR-KLGADWMXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H29N5O4/c1-14(2)20-21-28-17-11-7-5-9-15(17)23(34)31(21)19(22(33)29-20)13-27(36)16-10-6-8-12-18(16)32-24(27)30-26(3,4)25(32)35/h5-12,14,19-20,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,20+,24-,27-/m1/s1
SMILES CC(C)[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)C[C@@]4([C@@H]5NC(C(=O)N5C6=CC=CC=C64)(C)C)O
InChI Key VHQZIMAMLQIPDR-KLGADWMXSA-N
Molecular Formula C27H29N5O4
Exact Mass 487.222 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000834
Version
Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (1S,4R)-4-[[(3aR,4R)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J550.931I Nikkaji
    70018066 NMRShiftDB
    101651022 PubChem
    The data in this table is sourced from UniChem at EBI.