Spectrum CCMSLIB00005720188 for Arborinine

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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
InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
C16H15NO4
285.10010796
O=C1C=2C=CC=CC2N(C3=CC(OC)=C(OC)C(O)=C13)C
ATBZZQPALSPNMF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
285.1
1
f.pilepoga/Alkalo ANGERS/Arborinine.mgf;
MS2
GNPS-LIBRARY
pilepoga, Le Pogam
positive
2.552849585179151
0.8385057549741936
286.108
[M+H]+
0.272484516331984 ppm
-7.795999999871128E-5 Da