Spectrum MoNA002169 for TYRAMINE

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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/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
DZGWFCGJZKJUFP-UHFFFAOYSA-N
C8H11NO
137.084063972
OC1=CC=C(C=C1)CCN

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
10
C8H11NO
137.08406
137.08406
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.5360102332481459
0.19332482634320916
138.092043558757
[M+H]+
0.06942294986458328 ppm
9.586757016677439E-6 Da