Spectrum KO003030 for Glycerol-3-phosphate

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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
172.01367463799997
O=P(O)(O)OCC(O)CO

Mass Spectral Metadata

NameValue
KO003030
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
20 V
positive
2.8835546039248467
0.9073334681713506
173
[M+H]+
125.11351445069086 ppm
-0.021644637999969518 Da