Spectrum MoNA001885 for MEVALOLACTONE

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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
InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3
JYVXNLLUYHCIIH-UHFFFAOYSA-N
C6H10O3
130.06299418
O=C1OCCC(O)(C)C1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
40
C6H10O3
130.063
130.063
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.6420530545313143
0.9262867577599384
131.07014465332
[M+H]+
6.252580876995641 ppm
-8.19526680004401E-4 Da