Spectrum KO003724 for Pyridine

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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
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
JUJWROOIHBZHMG-UHFFFAOYSA-N
C5H5N
79.04219916
N=1C=CC=CC1

Mass Spectral Metadata

NameValue
KO003724
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 P041
79.0422
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
0.1284062119423826
0.11688037105251611
80
[M+H]+
627.1144999999478 ppm
-0.05016915999999583 Da