Spectrum MoNA023907 for PHENYLETHANOLAMINE

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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/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
ULSIYEODSMZIPX-UHFFFAOYSA-N
C8H11NO
137.084063972
OC(C=1C=CC=CC1)CN

Mass Spectral Metadata

NameValue
-6.739719999870886E-4 Da
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C8H11NO
137.0
137.08406000000002
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
1.6288367513359547
0.4278910346565116
138.09136
[M+H]+
4.8806239578427535 ppm