Spectrum KO003032 for Glycerophosphate(2)

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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/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
AWUCVROLDVIAJX-GSVOUGTGSA-N
C3H9O6P
172.013674638
O=P(O)(O)OCC(O)CO

Mass Spectral Metadata

NameValue
KO003032
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 G072
172.01367
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
1.52260157902607
0.9460455524645249
173
[M+H]+
125.11351445085515 ppm
-0.02164463799999794 Da