Spectrum KO001780 for L-3-Hydroxy-alanine

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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/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
MTCFGRXMJLQNBG-REOHCLBHSA-N
C3H7NO3
105.04259308399999
O=C(O)C(N)CO

Mass Spectral Metadata

NameValue
KO001780
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 S002
105.04259
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
negative
0.47950640689158947
0.2676176211856023
104
[M-H]-
339.5873461536999 ppm
-0.03531708399998479 Da