Spectrum MetaboBASE0052 for Pseudobaptigenin

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/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
KNJNBKINYHZUGC-UHFFFAOYSA-N
C16H10O5
282.05282342
O=C1C2=CC=C(O)C=C2OC=C1C=3C=CC=4OCOC4C3

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
35
0.016
2013-11-15 21:01:04+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
684.6
C:\Data\Confirmed Standards\Confirmed stds MSMS 14Nov13\Pseudobaptigenin MSMS (Vial 17.d
2.689549191124716
0.7987267311573036
281.0477
[M-H]-
7.659126902760802 ppm
0.0021525800000290474 Da