Spectrum VF-NPL-QEHF028033 for PIPERINE

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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/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
35HCD
NP_UC_2739_p10_C04_8.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.213182968369373
0.3971862507010408
303.1703186035156
[M+NH4]+
15.683806074182048 ppm
-0.004754864484425525 Da