Spectrum KO003645 for Octylamine

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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/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
IOQPZZOEVPZRBK-UHFFFAOYSA-N
C8H19N
129.151749608
NCCCCCCCC

Mass Spectral Metadata

NameValue
KO003645
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 O007
129.15175
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
1.3439512669093616
0.58367061916562
130
[M+H]+
1228.6123692306844 ppm
-0.15971960799998897 Da