MassBank of North America

Spectrum RIKENPlaSMA008086 for Luteolinidin

Rating: ★★★★★

Originally submitted to the RIKEN Plant Specialized Metabolome Annotation (PlaSMA) Authentic Standard Library as RIKEN PlaSMA Authentic Standard Library

SPLASH:
splash10-014i-0390000000-df235da3b04e8c7d837e
Submitter:
Ryo Nakabayashi

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.

Kingdom
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Organic compounds
- Superclass
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  Phenylpropanoids and polyketides
  - Class
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    Flavonoids
    - Subclass
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      Hydroxyflavonoids

Compound Metadata

Name	Value
compound class Create New Query Add to Query	7-hydroxyflavonoids
InChIKey Create New Query Add to Query	GDNIGMNXEKGFIP-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C15H10O5
total exact mass Create New Query Add to Query	270.05282342
SMILES Create New Query Add to Query	[O-]C=1C=C(C=CC1O)C2=[O+]C3=CC(O)=CC(O)=C3C=C2
InChI Create New Query Add to Query	InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)

Mass Spectral Metadata

Name	Value
ms level Create New Query Add to Query	MS2
instrument type Create New Query Add to Query	LC-ESI-QTOF
collision energy Create New Query Add to Query	10 eV
retention time Create New Query Add to Query	3.586583
instrument Create New Query Add to Query	Waters Xevo G2 Q-Tof
column Create New Query Add to Query	Waters Acquity UPLC BEH C18 (1.7um x 2.1mm x 150 mm)
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.816430378749162
normalized entropy Create New Query Add to Query	0.5241110199082956
precursor m/z Create New Query Add to Query	269.04554694783
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.001754981555393284 ppm
mass error Create New Query Add to Query	-4.721699724541395E-7 Da