Spectrum KO002623 for Cyprodinil

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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
HAORKNGNJCEJBX-UHFFFAOYSA-N
C14H15N3
InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
225.12659748
N=1C(=NC(=CC1C)C2CC2)NC=3C=CC=CC3

Mass Spectral Metadata

NameValue
KO002623
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID C172
225.1266
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
0.2050688416071315
0.04826858215056205
226
[M+H]+
595.4313274335707 ppm
-0.13456747999998697 Da