Dataset

Fumiquinazoline H; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+

This MassBank record with Accession MSBNK-AAFC-AC000665 contains the MS2 mass spectrum of Fumiquinazoline H with the InChIkey SJNRYASCJOVKHZ-MBLBISRUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H27N5O4/c1-14(2)12-18-23(35)31-19-11-7-5-9-16(19)27(25(31)29-18)13-20-21(33)30-26(3,36-27)24-28-17-10-6-4-8-15(17)22(34)32(20)24/h4-11,14,18,20,25,29H,12-13H2,1-3H3,(H,30,33)/t18-,20+,25?,26+,27+/m0/s1
SMILES CC(C)C[C@H]1C(=O)N2C(N1)[C@@]3(C[C@@H]4C(=O)N[C@](O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72
InChI Key SJNRYASCJOVKHZ-MBLBISRUSA-N
Molecular Formula C27H27N5O4
Exact Mass 485.206 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-AC000665
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MetadataPublished 2017-07-07
Related Molecule
  • (1R,2'S,12R,14R)-12-methyl-2'-(2-methylpropyl)spiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101027374 PubChem
    J1.296.983J Nikkaji
    184049 ChEBI
    The data in this table is sourced from UniChem at EBI.