Spectrum VF-NPL-QEHF027030 for Mevalonic Acid Lactone

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products 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
InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3
C6H10O3
130.06299418
O=C1OCCC(O)(C)C1
JYVXNLLUYHCIIH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_UC_2495_p7_G03_6.raw
17
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.806701090835258
0.49654249682294155
169.0261535644531
[M+K]+
799.5248823749059 ppm
-0.13514061554690215 Da