Spectrum VF-NPL-QEHF027023 for Mevalonic Acid Lactone

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  • 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
130.06299417999998
O=C1OCCC(O)(C)C1
JYVXNLLUYHCIIH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_UC_2495_p7_G03_9.raw
8
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.756414976297964
0.4068140849748265
129.0557098388672
[M-H]-
0.06463203223018897 ppm
-8.34113279779558E-6 Da