Spectrum KO001029 for Harman

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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
C12H10N2
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
PSFDQSOCUJVVGF-UHFFFAOYSA-N
182.08439832
N=1C=CC=2C=3C=CC=CC3NC2C1C

Mass Spectral Metadata

NameValue
KO001029
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 H029
182.0844
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
negative
1.0800242137774163
0.3988198643207696
181
[M-H]-
426.09016574586104 ppm
-0.07712232000000085 Da