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SB236057A

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT000019

Dataset description:

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000019 contains the MS2 mass spectrum of SB236057A with the InChIkey WXAKEEQOWUHGCI-UHFFFAOYSA-N.

Source: SB236057A; ESI-QTOF; MS2; CE: 10; [M+H]+

Chemical Info

molecular Image

InChI	InChI=1S/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3
SMILES	CCN1CCC2(COC3C=C4CCN(C(=O)C5C=CC(=CC=5)C5=CC=C(C=C5C)C5=NN=C(C)O5)C4=CC2=3)CC1
InChI Key	WXAKEEQOWUHGCI-UHFFFAOYSA-N
Exact Mass	534.263 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution 4.0 International (CC BY 4.0)
Id	856a25bf-d987-46f5-aa7d-f8b72304a344
Package id	msbnk-epa-entact_agilent000019
Resource type	HTML
State	active