Spectrum KO003824 for Phosphorylcholine

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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/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
YHHSONZFOIEMCP-UHFFFAOYSA-O
[C5H15NO4P]+
184.07332101009072
O=P(O)(O)OCC[N+](C)(C)C

Mass Spectral Metadata

NameValue
KO003824
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 P074
184.07387
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
1.4890445492736317
0.418818220753846
185
[M+H]+
439.4108653552603 ppm
-0.08129101009072315 Da