Spectrum FiehnHILIC001690 for 4-Methylumbelliferyl acetate

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  • Originally submitted to the Fiehn Lab HILIC Library

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
HXVZGASCDAGAPS-UHFFFAOYSA-N
C12H10O4
218.0579088
O=C1OC=2C=C(OC(=O)C)C=CC2C(=C1)C
InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3

Mass Spectral Metadata

NameValue
66
M + 0
15 eV
positive
0.9665833
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.6127870234993715
0.382221608819662
219.0674
[M+H]+
6.943981623851387 ppm
0.0015211999999849013 Da