Spectrum MetaboBASE0553 for Isosakuranetin

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

Mass Spectral Metadata

NameValue
838.2
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
20
0.015
2013-11-24 01:11:01+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
C:\Data\Confirmed Standards\Confirmed stds MSMS 22Nov13\Isosakuranetin (vial 291) MSMS.d
1.131339687311575
0.3432632540102454
285.0776
[M-H]-
2.6394637811908925 ppm
7.524520000288248E-4 Da