Spectrum MoNA016779 for PHOSPHOCHOLINE

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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
YHHSONZFOIEMCP-UHFFFAOYSA-O
[C5H15NO4P]+
184.07332101009075
O=P(O)(O)OCC[N+](C)(C)C
InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1

Mass Spectral Metadata

NameValue
C5H14NO4P
-1
0.6606
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
2.2692418219611197
0.7341347963356708
184.0714
[M+H]+
5486.409133036095 ppm
-1.0098910100907403 Da