Spectrum CCMSLIB00004679374 for dihydroauroglaucin

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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
C19H24O3
300.17254462799997
O=CC1=C(O)C(=CC(O)=C1C=CC=CCCC)CC=C(C)C
InChI=1S/C19H24O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h6-10,12-13,21-22H,4-5,11H2,1-3H3/b7-6+,9-8+
JXIPKNRBDKQMAN-BLHCBFLLSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
Orbitrap
300.172
1
f.TJLing/2018/spectral_data_ms2_ECAs.mgf;
MS2
GNPS-LIBRARY
TJLing, Tie-Jun Ling
positive
2.0870852853860273
0.6077731689448568
301.18
[M+H]+
1.7087057572287614 ppm
-5.146279999621584E-4 Da