MassBank Record: PB000476



 Tyramine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000476
RECORD_TITLE: Tyramine; LC-ESI-QTOF; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9100000000-1cccef72bfa4b910f413 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 39.023 38.847 2 51.025 1236.793 122 53.041 163.790 15 55.019 108.476 9 65.039 796.906 78 66.046 49.399 3 77.039 10000.000 999 78.046 218.499 20 91.054 2749.819 273 93.070 305.334 29 94.041 315.550 30 95.050 1847.259 183 102.047 216.684 20 103.056 2011.049 200 105.046 523.295 51 119.049 36.293 2 121.065 179.652 16 //