MassBank Record: PB000477



 Tyramine; LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000477
RECORD_TITLE: Tyramine; LC-ESI-QTOF; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fb9-9000000000-f3e7f124fef2633f8197 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 39.023 219.917 20 41.039 96.903 8 50.017 219.104 20 51.025 6073.182 606 52.032 53.383 4 53.040 263.204 25 55.019 141.930 13 63.024 102.589 9 65.039 1934.570 192 66.048 298.367 28 67.056 30.521 2 75.023 92.261 8 77.039 10000.000 999 78.047 373.568 36 81.034 37.136 2 91.054 1714.422 170 94.041 478.594 46 95.050 1453.075 144 102.048 249.742 23 103.054 360.454 35 105.046 413.490 40 //