Spectrum KO001224 for Indole-3-acetamide

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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/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
ZOAMBXDOGPRZLP-UHFFFAOYSA-N
C10H10N2O
174.07931294
N=C(O)CC1=CNC=2C=CC=CC21

Mass Spectral Metadata

NameValue
416.3984971098487 ppm
KO001224
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 I030
174.07931
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
negative
1.431536959313987
0.6217086020706244
173
[M-H]-
-0.07203694000000382 Da