Spectrum MoNA036700 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
LC-ESI-QTOF
Agilent qTOF 6545
C10H19NO3
positive
10 eV
Sonnenburg Lab MS2 Library HILIC positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
1.287336927257514
0.48780180438338244
202.1437695
[M+H]+
3.433041748926598 ppm
-6.93967999978895E-4 Da