Spectrum VF-NPL-LTQ007623 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
35
NP_UC_2495_p07_G03_NEG_iTree_05.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
129.0044887482174
M-H
397.1135599984737 ppm
-0.05122943178258765 Da