Spectrum NGA02654 for Norlaudanosoline

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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
Alkaloids
InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
ABXZOXDTHTTZJW-UHFFFAOYSA-N
C16H17NO4
287.11575802400006
OC1=CC=C(C=C1O)CC2NCCC3=CC(O)=C(O)C=C32

Mass Spectral Metadata

NameValue
NGA02654
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
287.3182
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
3.7416205754616203
0.8806931306946135
[M+H]+
288.12372802400006
0.0 ppm
0.0 Da