Spectrum PM002307 for Normetanephrine

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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
183.09
InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3
YNYAYWLBAHXHLL-UHFFFAOYSA-N
C9H13NO3
183.089543276
OC1=CC=C(C=C1OC)C(O)CN

Mass Spectral Metadata

NameValue
PM002307
Bourcier S, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
CH3CN/H2O/CH3COOH
QqQ
API 3000
10->40V
ESI
positive
authentic sample
[M+H]+
MS2
1.3862943611198906
1.0
184
[M+H]+
529.9634565217435 ppm
-0.09751327600000081 Da