Spectrum KNA00325 for Tyramine

Rating: (*)★(*)★(*)★(*)☆( )☆

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
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
LC-ESI-ITFT
KNA00325
2016.01.19 (Created 2009.11.18, modified 2011.08.03)
Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST
CC BY-SA
137.08406
LTQ Orbitrap XL, Thermo Scientfic
MS2
35eV
ESI
TOSOH TSKgel ODS-100V 5um Part no. 21456
0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile)
0.5 ml/min
5.508388 min
0.1%formate-water / 0.1%formate-acetonitrile
positive
0.7004316624601683
0.30419360595677214
121.06