Spectrum VF-NPL-QEHF026858 for Rhetsinine

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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/C19H17N3O2/c1-20-15-8-4-3-7-14(15)18(23)22-11-10-13-12-6-2-5-9-16(12)21-17(13)19(22)24/h2-9,20-21H,10-11H2,1H3
C19H17N3O2
319.132076784
O=C(C=1C=CC=CC1NC)N2C(=O)C=3NC=4C=CC=CC4C3CC2
RAEOYMOPVHBBKE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_UC_2447_p6_G07_9.raw
10
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.2016701600288253
0.6083713927866732
318.1247863769531
[M-H]-
0.04528740762536652 ppm
-1.440704687638572E-5 Da