Spectrum VF-NPL-LTQ006209 for HYDROQUINIDINE

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3
C20H26N2O2
326.199428072
OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C4)CC
LJOQGZACKSYWCH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C1_25_p8_D05_NEG_iTree_14.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.9125834590681525
0.8306692620146392
325.1538480433022
M-H
117.80278452272583 ppm
-0.03830402869778027 Da