MassBank Record: PB000475



 Tyramine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000475
RECORD_TITLE: Tyramine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 267
COMMENT: CONFIDENCE: confident structure

CH$NAME: Tyramine CH$NAME: 4-(2-aminoethyl)phenol CH$COMPOUND_CLASS: Natural Product; biogenic amine CH$FORMULA: C8H11NO CH$EXACT_MASS: 137.08406 CH$SMILES: C1=CC(=CC=C1CCN)O CH$IUPAC: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: KEGG C00483 CH$LINK: PUBCHEM CID:5610
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ffx-9500000000-55fc23fe7afe748d1bf1 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 51.025 158.014 14 53.040 90.389 8 55.019 200.208 19 65.039 214.495 20 77.038 10000.000 999 78.045 92.103 8 79.053 60.481 5 91.054 6650.570 664 93.070 4243.030 423 94.041 101.056 9 95.050 2286.958 227 102.047 213.733 20 103.054 8593.022 858 105.046 638.817 62 119.049 56.291 4 121.065 5941.843 593 //