Spectrum PB000475 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
Natural Product; biogenic amine
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
PB000475
2016.01.19 (Created 2008.01.02, modified 2013.06.04)
Boettcher C, Institute of Plant Biochemistry, Halle, Germany
CC BY-SA
137.08406
API QSTAR Pulsar i
LC-ESI-QTOF
MS2
30 eV
ESI
positive
1.902914680098586
0.6863313930532596
[M+H]+
138.092033972
0.0 ppm
0.0 Da