Dataset

BENZTROPINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003861 contains the MS mass spectrum of BENZTROPINE with the InChIkey GIJXKZJWITVLHI-ACDBMABISA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20-
SMILES	c(c4)ccc(c4)C(c(c3)cccc3)OC([H])(C1)CC([H])(C2)N(C)C([H])(C2)1
InChI Key	GIJXKZJWITVLHI-ACDBMABISA-N
Molecular Formula	C21H25NO
Exact Mass	307.194 g/mol

Data and Resources

BENZTROPINEHTML

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Related Molecule ⌄

nfdi4chem-mol50231(Unknown Molecule)

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003861
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	nfdi4chem-mol50231(Unknown Molecule)

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1618180	chembl
8659140	surechembl
The data in this table is sourced from UniChem at EBI.