MassBank of North America

Spectrum RIKENPlaSMA001781 for Piperine

Rating: ★★★★★

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

SPLASH:
splash10-000i-0090000000-88b7bad4ace4a8993eac
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

Compound Metadata

Name	Value
compound class Create New Query Add to Query	Alkaloids and derivatives
InChIKey Create New Query Add to Query	MXXWOMGUGJBKIW-YPCIICBESA-N
molecular formula Create New Query Add to Query	C17H19NO3
total exact mass Create New Query Add to Query	285.136493468
SMILES Create New Query Add to Query	O=C(C=CC=CC1=CC=C2OCOC2=C1)N3CCCCC3
InChI Create New Query Add to Query	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

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	7.8383
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	0.4022657278195703
normalized entropy Create New Query Add to Query	0.24994174967034735
precursor m/z Create New Query Add to Query	286.1437699
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.4238444900388654 ppm
mass error Create New Query Add to Query	-6.93568000031064E-4 Da