Spectrum MoNA033026 for CAPRYLOYL GLYCINE

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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
SAVLIIGUQOSOEP-UHFFFAOYSA-N
C10H19NO3
201.13649346799997
O=C(O)CN=C(O)CCCCCCC
InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)

Mass Spectral Metadata

NameValue
MS2
positive
LC-ESI-QTOF
Agilent qTOF 6545
C10H19NO3
10 eV
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
1.2518410572899912
0.5697374179236819
202.1437695
[M+H]+
3.433041748926598 ppm
-6.93967999978895E-4 Da