Spectrum PM000909 for gamma-Aminobutyric acid

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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
103.06
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
BTCSSZJGUNDROE-UHFFFAOYSA-N
C4H9NO2
103.063328528
O=C(O)CCCN

Mass Spectral Metadata

NameValue
PM000909
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
14
ESI
positive
authentic sample
[M+H]+
MS2
1.4474224136596592
0.807821830171911
104
[M+H]+
685.5627692307673 ppm
-0.0712985279999998 Da