Spectrum MoNA017508 for O-acetyl serine betaine

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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/C8H16NO4/c1-6(10)13-5-7(8(11)12)9(2,3)4/h7H,5H2,1-4H3,(H,11,12)
OBEGSOGVRBKITF-UHFFFAOYSA-N
C8H16NO4
190.107932992
O=C(OCC(C(=O)O)[N](C)(C)C)C

Mass Spectral Metadata

NameValue
QTOF SYNAPT, Waters
argon
15 eV
Chemical synthesis
License CC-BY-NC-SA 4.0 International
Dejan Nikolic, UIC
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
Dejan Nikolic
positive
1.563514861710166
0.45530596609913165
190.1079
M+