Spectrum KO001271 for Lactate

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
JVTAAEKCZFNVCJ-REOHCLBHSA-N
C3H6O3
90.03169405199999
O=C(O)C(O)C

Mass Spectral Metadata

NameValue
KO001271
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 L005
90.03169
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
negative
0.9528262414363498
0.5317824506025112
89
[M-H]-
274.36013483131745 ppm
-0.024418051999987256 Da