Spectrum VF-NPL-LTQ006595 for Hymecromone Methyl Ether

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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/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
C11H10O3
190.06299417999998
O=C1OC=2C=C(OC)C=CC2C(=C1)C
UDFPKNSWSYBIHO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C2_222_p4_E09_POS_iTree_08.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
228.98585248674667
[M+K]+
766.1682647553914 ppm
-0.17544169325330472 Da