Spectrum CCMSLIB00000081712 for Piperin

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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
94-62-2
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+
C17H19NO3
285.136493468
O=C(C=CC=CC1=CC=C2OCOC2=C1)N3CCCCC3
MXXWOMGUGJBKIW-YPCIICBESA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
qTof
285.137
1
gnps_Piperin_pos_MplusH.mgf
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
positive
2.2086706888651437
0.6701395665686576
286.117
[M+H]+
95.98684454264392 ppm
-0.02746346800000765 Da