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mass spectrometry (MS)

URL: https://www.chemotion-repository.net/inchikey/LKAJRMAAMHMBJY-UHFFFAOYSA-N/CHMO0000470

Dataset description:

dataset for mass spectrometry (MS)\n\n

Source: mass spectrometry (MS)

Chemical Info

molecular Image

InChI	InChI=1S/C21H20N2O4.ClH/c1-12-7-16(20(24)25)8-13(2)18(12)22-5-6-23(11-22)19-14(3)9-17(21(26)27)10-15(19)4;/h5-11H,1-4H3,(H-,24,25,26,27);1H
SMILES	OC(=O)c1cc(C)c(c(c1)C)n1cc[n+](c1)c1c(C)cc(cc1C)C(=O)O.[Cl-]
InChI Key	LKAJRMAAMHMBJY-UHFFFAOYSA-N
Molecular Formula	C21H21ClN2O4
Exact Mass	400.855 g/mol

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Additional Information

Field	Value
Data last updated	September 7, 2024
Metadata last updated	September 7, 2024
Created	September 7, 2024
Format	HTML
License	No License Provided
Id	826cc946-65c0-4d5e-ab1e-80a475900a77
Package id	10-14272-lkajrmaamhmbjy-uhfffaoysa-n-chmo0000470
Resource type	HTML
State	active