Spectrum PR010069 for L-Threonine

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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
Natural Product
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
AYFVYJQAPQTCCC-HRFVKAFMSA-N
C4H9NO3
119.05824314799999
O=C(O)C(N)C(O)C

Mass Spectral Metadata

NameValue
PR010069
2016.01.19 (Created 2006.12.21, modified 2011.05.06)
Kusano M, Fukushima A, Plant Science Center, RIKEN.
CC BY-SA
119.05824
Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
GC-EI-TOF
MS1
1375.4
337.759 sec
C13H33NO3Si3
335.17682
3 TMS
ChromaTOF ver. 2.32 (Leco)
positive
3.09796920606062
0.6590750231840099