Spectrum MetaboBASE0561 for Sakuranetin

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
DJOJDHGQRNZXQQ-UHFFFAOYSA-N
C16H14O5
286.084123548
O=C1C=2C(O)=CC(OC)=CC2OC(C3=CC=C(O)C=C3)C1

Mass Spectral Metadata

NameValue
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
negative
MS2
5
Nitrogen
30
0.013
2013-11-24 01:51:45+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
837
C:\Data\Confirmed Standards\Confirmed stds MSMS 22Nov13\Sakuranetin (vial 292) MSMS.d
0.8476074527304631
0.4076130228915886
285
[M-H]-
269.640519298208 ppm
-0.07684754799998927 Da