Spectrum KO000211 for 5-Aminopentanoate

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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/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
JJMDCOVWQOJGCB-UHFFFAOYSA-N
C5H11NO2
117.078978592
O=C(O)CCCCN

Mass Spectral Metadata

NameValue
KO000211
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 A135
117.07898
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
negative
0.4269520698610875
0.17805284271770122
116
[M-H]-
618.1257931033972 ppm
-0.07170259199999407 Da