Spectrum FiehnHILIC002471 for 2-Hydroxy-3-methylbutyric acid

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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
NGEWQZIDQIYUNV-UHFFFAOYSA-N
C5H10O3
118.06299417999999
O=C(O)C(O)C(C)C
InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)

Mass Spectral Metadata

NameValue
M + 0
15 eV
negative
1.5658
35 eV
137
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.690829751097229
0.9966566560065292
117.0561
[M-H]-
3.2618547859992715 ppm
3.818200000154093E-4 Da