Spectrum KO009112 for Glycerophosphorylcholine

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/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
SUHOQUVVVLNYQR-MRVPVSSYSA-O
[C8H21NO6P]+
258.1101004420907
O=P(O)(OCC[N+](C)(C)C)OCC(O)CO

Mass Spectral Metadata

NameValue
KO009112
2011.05.10 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID G069
258.11065
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS2
0.6
LC/MSD Trap Control and Data Analysis
positive
0.14281278050735288
0.04333126496048039
258
[M+H]+
4333.606364692627 ppm
-1.1180704420906977 Da