MassBank of North America

Spectrum RIKENPlaSMA001323 for Matrine

Rating: ★★★★★

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

SPLASH:
splash10-0002-2900000000-9969b5caae60a8dc5b4f
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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  Alkaloids and derivatives
  - Class
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    Lupin alkaloids
    - Subclass
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      Matrine alkaloids

Compound Metadata

Name	Value
compound class Create New Query Add to Query	Matrine alkaloids
InChIKey Create New Query Add to Query	ZSBXGIUJOOQZMP-JLNYLFASSA-N
molecular formula Create New Query Add to Query	C15H24N2O
total exact mass Create New Query Add to Query	248.188863388
SMILES Create New Query Add to Query	O=C1N2CC3CCCN4CCCC(C2CCC1)C43
InChI Create New Query Add to Query	InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1

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	50 eV
retention time Create New Query Add to Query	2.256967
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	positive
spectral entropy Create New Query Add to Query	3.752927892734178
normalized entropy Create New Query Add to Query	0.9058184540387356
precursor m/z Create New Query Add to Query	249.1961399
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.782900249876716 ppm
mass error Create New Query Add to Query	-6.934879999960231E-4 Da